A0A087Y1W2_POEFO Loading...

Carboxylic ester hydrolase

AlphaFold DB , UniProt , Accession A0A087Y1W2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 617 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	37.2	Very low	38.2	Very low	228 Å²	228	155.1 Å²	155.1	100%	1.123	81%	0.806	S	S	*	*				0	124.4	0	-96.3	165.5	63.5	0	0	107.9
2	Q	35.7	Very low	38.4	Very low	169 Å²	169	154.9 Å²	154.9	79%	0.79	80%	0.804	S	S	*	*			trans	65.3	105.9	169.1	-73.3	166.2	-35.5	0	0	117.4
3	L	33.3	Very low	38.4	Very low	156 Å²	156	158.9 Å²	158.9	82%	0.817	81%	0.812	S	S	*	*				89.1	127.2	60	-94.5	112	0	0	0	113.1
4	S	41	Very low	38.7	Very low	99 Å²	99	159.1 Å²	159.1	69%	0.692	81%	0.814	S	S	*	*			trans	32.2	127.8	145.7	-62.9	0	0	0	0	117.5
5	T	42.3	Very low	39.1	Very low	105 Å²	105	160.1 Å²	160.1	64%	0.644	82%	0.82	S	S	*	*				174.7	124.6	66.6	-32.1	0	0	0	0	102.4
6	Y	36.8	Very low	39.2	Very low	207 Å²	207	155.3 Å²	155.3	81%	0.812	81%	0.812	S	S	*	*				-179.5	90.5	97.3	-91.4	-80.1	0	0	0	106.8
7	L	39.3	Very low	39.2	Very low	171 Å²	171	156.5 Å²	156.5	90%	0.895	82%	0.818	S	S	*	*			trans	-113.7	40.6	-179.6	-136.9	152.2	0	0	0	109.5
8	V	43.1	Very low	39.1	Very low	100 Å²	100	155.6 Å²	155.6	61%	0.606	81%	0.812	S	S	*	*			trans	-121.9	-6.3	-169.9	-179.1	0	0	0	0	114.2
9	F	37.1	Very low	39	Very low	194 Å²	194	153.1 Å²	153.1	85%	0.851	81%	0.806	S	S	*	*	S	Bend	trans	-100.6	11.9	-173	-98.9	-77.4	0	0	0	117.1
10	L	35.6	Very low	38.9	Very low	171 Å²	171	151.4 Å²	151.4	90%	0.895	80%	0.803	S	S	*	*	S	Bend	trans	-124.6	20.8	-178.4	-116.8	96.6	0	0	0	115.9
11	S	38.8	Very low	38.4	Very low	106 Å²	106	149.6 Å²	149.6	74%	0.741	80%	0.801	S	S	*	*	S	Bend	trans	-125.7	10.8	-177	-41	0	0	0	0	115
12	I	40.1	Very low	38.5	Very low	153 Å²	153	147.6 Å²	147.6	79%	0.785	79%	0.786	S	S	*	*	S	Bend	trans	-118.7	23.6	-177	-54.2	174.3	0	0	0	112.2
13	F	38.9	Very low	38.6	Very low	207 Å²	207	143.6 Å²	143.6	91%	0.908	78%	0.777	S	S	*	*	S	Bend	trans	-124	22.2	176.6	-107.1	-80.7	0	0	0	114.5
14	L	42.2	Very low	39.1	Very low	161 Å²	161	143.8 Å²	143.8	84%	0.843	77%	0.774	S	S	*	*	S	Bend	trans	-144.1	84	168.7	-94.9	104.5	0	0	0	108.9
15	I	45	Very low	39.7	Very low	175 Å²	175	142.7 Å²	142.7	90%	0.897	76%	0.76	S	S	*	*	S	Bend	trans	-177.8	132.5	149.1	-88.7	144.8	0	0	0	106.3
16	A	41.1	Very low	40.3	Very low	83 Å²	83	144.5 Å²	144.5	69%	0.686	77%	0.766	S	S	*	*			trans	89.2	43.7	177.4	0	0	0	0	0	118.2	I18	A16-I18 VanDerWaalsContact C-N 3.31Å
17	L	39.1	Very low	41.5	Very low	176 Å²	176	136 Å²	136	92%	0.921	74%	0.741	S	S	*	*			trans	-96.7	70	134	-87.9	158.8	0	0	0	107.2	P19	L17-P19 WeakPolarHBondContact O-CD 3.43Å
18	I	37.4	Very low	43.6	Very low	139 Å²	139	128.4 Å²	128.4	71%	0.713	70%	0.701	S	S	*	*			trans	-76.7	114.9	155.3	-63	173.4	0	0	0	102.8	A16 T20	A16-I18 VanDerWaalsContact C-N 3.31Å; I18-T20 PolarHBondContact O-N 2.84Å
19	P	36.8	Very low	46	Very low	108 Å²	108	126.3 Å²	126.3	70%	0.701	69%	0.687	S	S	*	*			trans	-57.3	116.6	161.8	2.5	9.9	0	0	0	104	L17 C21	L17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-C21 PolarHBondContact O-N 3.46Å
20	T	36.4	Very low	48.7	Very low	120 Å²	120	117.2 Å²	117.2	74%	0.736	65%	0.647	S	S	*	*			trans	-58.5	88.9	157.4	37.1	0	0	0	0	104.7	I18 F22	I18-T20 PolarHBondContact O-N 2.84Å; T20-F22 PolarHBondContact O-N 3.11Å
21	C	30.3	Very low	51.5	Low	114 Å²	114	114.3 Å²	114.3	77%	0.77	63%	0.632	S	S	*	*			trans	-61	92.7	162.5	-161.8	0	0	0	0	102.2	P19 S23	P19-C21 PolarHBondContact O-N 3.46Å; C21-S23 PolarHBondContact O-N 3.46Å
22	F	37.9	Very low	54.3	Low	185 Å²	185	109.7 Å²	109.7	81%	0.811	60%	0.6	S	S	*	*			trans	-49.9	106.4	154.5	-89.4	-84.7	0	0	0	102.9	T20 Q24	T20-F22 PolarHBondContact O-N 3.11Å; F22-Q24 PolarHBondContact O-N 3.15Å
23	S	38.5	Very low	56.8	Low	85 Å²	85	107.5 Å²	107.5	59%	0.594	59%	0.586	S	S	*	*			trans	-52.5	103.9	171.6	168.9	0	0	0	0	104.7	C21 N25	C21-S23 PolarHBondContact O-N 3.46Å; S23-N25 PolarHBondContact O-N 3.43Å
24	Q	43.6	Very low	59.4	Low	161 Å²	161	98.1 Å²	98.1	75%	0.752	55%	0.546	S	S	*	.			trans	-70	82.7	173.4	-153.9	172	16.3	0	0	103.2	F22 D26	F22-Q24 PolarHBondContact O-N 3.15Å; Q24-D26 PolarHBondContact O-N 3.15Å
25	N	53.4	Low	62	Low	75 Å²	75	91 Å²	91	40%	0.401	51%	0.512	S	S	.	.			trans	-72.7	116.7	-173.1	-135.9	12.3	0	0	0	104.7	S23 G27 D28 R41	S23-N25 PolarHBondContact O-N 3.43Å; N25-G27 PolarHBondContact O-N 3.38Å; N25-D28 PolarHBondContact O-N 3.12Å; N25-R41 PolarHBondContact ND2-NH2 3.39Å
26	D	55.8	Low	64.5	Low	143 Å²	143	85.5 Å²	85.5	77%	0.765	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-48.6	-23	179.9	-79.4	-31.7	0	0	0	113.1	Q24 D28 L29	Q24-D26 PolarHBondContact O-N 3.15Å; D26-D28 PolarHBondContact O-N 3.47Å; D26-L29 PolarHBondContact O-N 3.05Å
27	G	60.8	Low	67.2	Low	28 Å²	28	81.5 Å²	81.5	29%	0.289	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-64.7	-9	176.7	0	0	0	0	0	116.5	N25 R129	N25-G27 PolarHBondContact O-N 3.38Å; G27-R129 PolarHBondContact O-NH2 2.86Å
28	D	83.4	Confident	70	Confident	12 Å²	12	74.2 Å²	74.2	6%	0.064	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-104.8	-3.5	176.6	-63.4	-42.4	0	0	0	112.7	N25 D26 Q38 G39 R41 T51 F53	N25-D28 PolarHBondContact O-N 3.12Å; D26-D28 PolarHBondContact O-N 3.47Å; D28-Q38 PolarHBondContact O-NE2 3.04Å; D28-G39 PolarHBondContact O-N 2.8Å; D28-R41 IonicContact OD2-CZ 3.89Å; D28-R41 IonicContact OD2-NE 3.58Å; D28-R41 PolarHBondContact OD2-NE 3.3Å; D28-R41 IonicContact OD2-NH2 2.86Å; D28-R41 PolarHBondContact OD2-NH2 3.14Å; D28-T51 HydrophobicContact CB-CG2 4.36Å; D28-T51 WeakPolarHBondContact OD1-CG2 3.17Å; D28-T51 PolarHBondContact OD1-OG1 3.36Å; D28-F53 WeakPolarHBondContact O-CE1 3.35Å
29	L	93.3	Very high	72.7	Confident	57 Å²	57	67.9 Å²	67.9	30%	0.298	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.1	174.4	-174.6	65.7	0	0	0	110.7	D26 L36 Q38 I80	D26-L29 PolarHBondContact O-N 3.05Å; L29-L36 HydrophobicContact CD1-CB 4.32Å; L29-L36 HydrophobicContact CD1-CD2 4.47Å; L29-L36 HydrophobicContact CG-CD2 4.38Å; L29-Q38 HydrophobicContact CD1-CB 4.23Å; L29-I80 HydrophobicContact CD1-CD1 4.14Å; L29-I80 HydrophobicContact CD1-CG1 4.25Å; L29-I80 HydrophobicContact CD1-CG2 3.85Å
30	V	94	Very high	75.4	Confident	3 Å²	3	64 Å²	64	2%	0.018	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.1	-176.1	-176.8	0	0	0	0	111	T32 L36 V37 F53 R129 S210 F211	V30-T32 HydrophobicContact CG1-CG2 4.37Å; V30-L36 WeakPolarHBondContact O-CA 3.32Å; V30-V37 PolarHBondContact N-O 2.95Å; V30-V37 PolarHBondContact O-N 3.33Å; V30-F53 HydrophobicContact CB-CE1 4.22Å; V30-F53 HydrophobicContact CG2-CE1 3.55Å; V30-F53 HydrophobicContact CG2-CE2 4.44Å; V30-F53 HydrophobicContact CG2-CZ 3.45Å; V30-F53 VanDerWaalsContact CG2-CZ 3.45Å; V30-R129 VanDerWaalsContact CG2-NH2 3.34Å; V30-S210 VanDerWaalsContact CG1-CB 3.49Å; V30-S210 WeakPolarHBondContact CG1-O 3.32Å; V30-F211 HydrophobicContact CB-CD1 4.38Å; V30-F211 HydrophobicContact CB-CE1 3.97Å; V30-F211 HydrophobicContact CB-CZ 4.21Å; V30-F211 HydrophobicContact CG1-CD1 4.04Å; V30-F211 HydrophobicContact CG1-CD2 4.12Å; V30-F211 HydrophobicContact CG1-CE1 3.82Å; V30-F211 HydrophobicContact CG1-CE2 3.92Å; V30-F211 HydrophobicContact CG1-CG 4.18Å; V30-F211 HydrophobicContact CG1-CZ 3.76Å; V30-F211 HydrophobicContact CG2-CD1 4.1Å; V30-F211 HydrophobicContact CG2-CE1 4.06Å
31	N	95.4	Very high	78.2	Confident	109 Å²	109	63.4 Å²	63.4	58%	0.583	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.4	173.6	-167.4	15.5	0	0	0	110.5	L36 S210	N31-L36 HydrophobicContact CB-CD2 3.81Å; N31-S210 WeakPolarHBondContact O-CB 3.41Å; N31-S210 PolarHBondContact O-OG 3.39Å
32	T	96.6	Very high	81.2	Confident	9 Å²	9	59.8 Å²	59.8	6%	0.055	31%	0.314	C	S	.	.			trans	-103.1	168.4	175.6	75.4	0	0	0	0	109.9	V30 S34 G35 V37 W203 N207 F211	V30-T32 HydrophobicContact CG1-CG2 4.37Å; T32-S34 PolarHBondContact O-N 3.21Å; T32-S34 PolarHBondContact OG1-N 3.04Å; T32-G35 WeakPolarHBondContact CB-O 3.46Å; T32-G35 PolarHBondContact N-O 2.96Å; T32-G35 PolarHBondContact O-N 3.36Å; T32-G35 PolarHBondContact OG1-N 3.1Å; T32-G35 VanDerWaalsContact OG1-N 3.09Å; T32-G35 PolarHBondContact OG1-O 2.73Å; T32-V37 HydrophobicContact CG2-CG2 3.92Å; T32-W203 HydrophobicContact CG2-CH2 4.39Å; T32-W203 HydrophobicContact CG2-CZ2 4.12Å; T32-N207 WeakPolarHBondContact CB-OD1 3.22Å; T32-F211 HydrophobicContact CG2-CE2 3.69Å; T32-F211 HydrophobicContact CG2-CZ 3.72Å
33	H	94.2	Very high	83.8	Confident	107 Å²	107	55.2 Å²	55.2	50%	0.495	30%	0.303	S	S	.	.	S	Bend	trans	-61.5	-22.8	171.9	-172.2	-110.8	0	0	0	112.8	R76 N207	H33-R76 PolarHBondContact CD2-NH2 3.2Å; H33-R76 PolarHBondContact NE2-NH2 3.08Å; H33-R76 PolarHBondContact O-NE 2.81Å; H33-N207 VanDerWaalsContact CB-OD1 3.25Å; H33-N207 WeakPolarHBondContact CB-OD1 3.45Å; H33-N207 PolarHBondContact N-OD1 2.85Å
34	S	93.1	Very high	86.3	Confident	11 Å²	11	51.6 Å²	51.6	8%	0.077	28%	0.277	C	S	.	.	S	Bend	trans	-93	-20.2	-179.9	-58.8	0	0	0	0	114	T32 R76 W77	T32-S34 PolarHBondContact O-N 3.21Å; T32-S34 PolarHBondContact OG1-N 3.04Å; S34-R76 CarbonylContact O-C 3.59Å; S34-R76 WeakPolarHBondContact O-CA 3.42Å; S34-W77 PolarHBondContact O-N 3.06Å
35	G	96.1	Very high	88.3	Confident	11 Å²	11	46.6 Å²	46.6	11%	0.113	26%	0.259	C	S	.	.			trans	150	-178.8	-179.9	0	0	0	0	0	113.2	T32	T32-G35 WeakPolarHBondContact CB-O 3.46Å; T32-G35 PolarHBondContact N-O 2.96Å; T32-G35 PolarHBondContact O-N 3.36Å; T32-G35 PolarHBondContact OG1-N 3.1Å; T32-G35 VanDerWaalsContact OG1-N 3.09Å; T32-G35 PolarHBondContact OG1-O 2.73Å
36	L	97.9	Very high	89.9	Confident	59 Å²	59	48.3 Å²	48.3	31%	0.309	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	138.4	177.5	-70.2	166.5	0	0	0	110.9	L29 V30 N31 W77 I80 L81	L29-L36 HydrophobicContact CD1-CB 4.32Å; L29-L36 HydrophobicContact CD1-CD2 4.47Å; L29-L36 HydrophobicContact CG-CD2 4.38Å; V30-L36 WeakPolarHBondContact O-CA 3.32Å; N31-L36 HydrophobicContact CB-CD2 3.81Å; L36-W77 PolarHBondContact O-NE1 2.84Å; L36-I80 HydrophobicContact CB-CG1 4.1Å; L36-I80 HydrophobicContact CD1-CG1 4.1Å; L36-L81 PolarHBondContact O-N 3.08Å
37	V	97.8	Very high	91.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.3	178.8	-171.5	0	0	0	0	109.5	V30 T32 F53 I56 W77 L81 A83	V30-V37 PolarHBondContact N-O 2.95Å; V30-V37 PolarHBondContact O-N 3.33Å; T32-V37 HydrophobicContact CG2-CG2 3.92Å; V37-F53 HydrophobicContact CB-CD1 4.5Å; V37-F53 HydrophobicContact CG1-CB 4.49Å; V37-F53 HydrophobicContact CG1-CD1 3.83Å; V37-I56 HydrophobicContact CG1-CD1 4.01Å; V37-I56 HydrophobicContact CG1-CG1 4.04Å; V37-W77 HydrophobicContact CG2-CH2 4.32Å; V37-W77 HydrophobicContact CG2-CZ2 3.67Å; V37-L81 CarbonylContact C-O 3.28Å; V37-L81 WeakPolarHBondContact CA-O 3.22Å; V37-L81 HydrophobicContact CG2-CD2 4.5Å; V37-A83 HydrophobicContact CG1-CB 3.44Å; V37-A83 VanDerWaalsContact CG1-CB 3.44Å
38	Q	96.6	Very high	92.6	Very high	23 Å²	23	45.5 Å²	45.5	11%	0.107	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.4	175.6	179.1	62.9	58.2	0	0	109.5	D28 L29 I80 L81 A83	D28-Q38 PolarHBondContact O-NE2 3.04Å; L29-Q38 HydrophobicContact CD1-CB 4.23Å; Q38-I80 HydrophobicContact CB-CG2 3.53Å; Q38-L81 PolarHBondContact N-O 2.96Å; Q38-A83 WeakPolarHBondContact O-CA 3.27Å; Q38-A83 WeakPolarHBondContact O-CB 3.47Å; Q38-A83 PolarHBondContact O-N 3.35Å
39	G	95.1	Very high	93.1	Very high	6 Å²	6	47.7 Å²	47.7	6%	0.062	27%	0.274	C	S	.	.			trans	-89.4	176.2	175.2	0	0	0	0	0	112.5	D28 A52 F53	D28-G39 PolarHBondContact O-N 2.8Å; G39-A52 CarbonylContact C-O 3.16Å; G39-A52 VanDerWaalsContact CA-O 3.24Å; G39-A52 WeakPolarHBondContact CA-O 3.13Å; G39-F53 VanDerWaalsContact N-CE1 3.29Å
40	A	94.1	Very high	93.1	Very high	27 Å²	27	45 Å²	45	22%	0.223	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.9	175.1	0	0	0	0	0	111.4	F42 A52 N84	A40-F42 HydrophobicContact CB-CE2 3.96Å; A40-F42 WeakPolarHBondContact O-CD2 3.37Å; A40-A52 PolarHBondContact N-O 3.49Å; A40-A52 PolarHBondContact O-N 2.87Å; A40-N84 HydrophobicContact CB-CB 3.72Å
41	R	93.9	Very high	93.2	Very high	106 Å²	106	45 Å²	45	40%	0.4	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.2	179.2	-63.2	-177.8	-171.7	169.2	5.9	110.8	N25 D28 Y49 V50	N25-R41 PolarHBondContact ND2-NH2 3.39Å; D28-R41 IonicContact OD2-CZ 3.89Å; D28-R41 IonicContact OD2-NE 3.58Å; D28-R41 PolarHBondContact OD2-NE 3.3Å; D28-R41 IonicContact OD2-NH2 2.86Å; D28-R41 PolarHBondContact OD2-NH2 3.14Å; R41-Y49 HydrophobicContact CB-CD2 3.9Å; R41-Y49 HydrophobicContact CB-CG 4.28Å; R41-Y49 HydrophobicContact CG-CD2 3.67Å; R41-Y49 HydrophobicContact CG-CE2 3.82Å; R41-Y49 HydrophobicContact CG-CG 4.41Å; R41-V50 WeakPolarHBondContact CA-O 3.29Å
42	F	93.1	Very high	93.3	Very high	38 Å²	38	39.8 Å²	39.8	17%	0.167	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.3	178.1	-77.5	-105.1	0	0	0	109.7	A40 Y49 V50 A52 L54	A40-F42 HydrophobicContact CB-CE2 3.96Å; A40-F42 WeakPolarHBondContact O-CD2 3.37Å; F42-Y49 CarbonylContact O-C 3.51Å; F42-Y49 WeakPolarHBondContact O-CA 3.44Å; F42-Y49 WeakPolarHBondContact O-CB 3.33Å; F42-V50 HydrophobicContact CB-CG2 3.98Å; F42-V50 PolarHBondContact N-O 2.98Å; F42-V50 PolarHBondContact O-N 3.12Å; F42-A52 HydrophobicContact CD2-CB 3.4Å; F42-A52 HydrophobicContact CE2-CB 3.63Å; F42-A52 HydrophobicContact CG-CB 4.14Å; F42-L54 HydrophobicContact CE1-CD1 4.11Å; F42-L54 HydrophobicContact CE2-CD1 4.13Å; F42-L54 HydrophobicContact CZ-CD1 3.49Å; F42-L54 VanDerWaalsContact CZ-CD1 3.49Å; F42-L54 HydrophobicContact CZ-CG 4.38Å
43	P	93	Very high	93.4	Very high	90 Å²	90	39.3 Å²	39.3	58%	0.584	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	150.1	-178.6	29.5	-34.7	0	0	0	111.6	R157	P43-R157 PolarHBondContact O-NH1 3.42Å
44	V	91.3	Very high	93.6	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.055	21%	0.207	C	C	.	.			trans	-122	163.4	171.5	-70	0	0	0	0	110.5	D46 G47 S48 V50 R157 H161	V44-D46 WeakPolarHBondContact CG2-OD1 3.3Å; V44-D46 PolarHBondContact O-N 3.13Å; V44-G47 PolarHBondContact O-N 3.49Å; V44-G47 VanDerWaalsContact O-N 3.09Å; V44-S48 VanDerWaalsContact CG2-C 3.44Å; V44-S48 WeakPolarHBondContact CG2-O 3.33Å; V44-S48 WeakPolarHBondContact CG2-OG 3.43Å; V44-S48 PolarHBondContact N-O 2.92Å; V44-V50 HydrophobicContact CG1-CG1 4.3Å; V44-R157 HydrophobicContact CG1-CB 4.25Å; V44-R157 HydrophobicContact CG1-CG 4.21Å; V44-H161 HydrophobicContact CG1-CB 4.1Å
45	P	85.8	Confident	93.8	Very high	56 Å²	56	34.4 Å²	34.4	36%	0.364	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18	-164.4	-27.8	37.1	0	0	0	117.1	G47 Y158	P45-G47 VanDerWaalsContact C-N 3.31Å; P45-Y158 HydrophobicContact CG-CD1 4.19Å; P45-Y158 HydrophobicContact CG-CE1 3.75Å
46	D	85.8	Confident	94	Very high	111 Å²	111	33.9 Å²	33.9	59%	0.594	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	4	178.6	65.4	8.2	0	0	0	113.7	V44 S48 H161	V44-D46 WeakPolarHBondContact CG2-OD1 3.3Å; V44-D46 PolarHBondContact O-N 3.13Å; D46-S48 VanDerWaalsContact C-N 3.33Å; D46-S48 VanDerWaalsContact OD1-CB 3.27Å; D46-S48 WeakPolarHBondContact OD1-CB 3.42Å; D46-S48 PolarHBondContact OD1-N 3.11Å; D46-S48 PolarHBondContact OD1-OG 2.88Å; D46-H161 IonicContact OD1-NE2 3.24Å; D46-H161 IonicContact OD2-CD2 2.72Å; D46-H161 IonicContact OD2-CE1 2.71Å; D46-H161 IonicContact OD2-NE2 3.85Å; D46-H161 PolarHBondContact OD2-NE2 3.25Å
47	G	83.7	Confident	94	Very high	75 Å²	75	31.4 Å²	31.4	77%	0.773	19%	0.191	S	C	*	.	S	Bend	trans	87.5	-2.8	-179.4	0	0	0	0	0	114.3	V44 P45	V44-G47 PolarHBondContact O-N 3.49Å; V44-G47 VanDerWaalsContact O-N 3.09Å; P45-G47 VanDerWaalsContact C-N 3.31Å
48	S	90.6	Very high	94	Very high	36 Å²	36	31.5 Å²	31.5	25%	0.252	19%	0.191	S	C	.	.			trans	-83.3	-170.3	168.6	73.7	0	0	0	0	111.6	V44 D46 H161	V44-S48 VanDerWaalsContact CG2-C 3.44Å; V44-S48 WeakPolarHBondContact CG2-O 3.33Å; V44-S48 WeakPolarHBondContact CG2-OG 3.43Å; V44-S48 PolarHBondContact N-O 2.92Å; D46-S48 VanDerWaalsContact C-N 3.33Å; D46-S48 VanDerWaalsContact OD1-CB 3.27Å; D46-S48 WeakPolarHBondContact OD1-CB 3.42Å; D46-S48 PolarHBondContact OD1-N 3.11Å; D46-S48 PolarHBondContact OD1-OG 2.88Å; S48-H161 PolarHBondContact OG-CE1 2.98Å; S48-H161 PolarHBondContact OG-NE2 2.66Å
49	Y	92.9	Very high	94.1	Very high	58 Å²	58	30.6 Å²	30.6	23%	0.227	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	161.3	-177.8	65.4	-87.5	0	0	0	111.9	R41 F42 A126	R41-Y49 HydrophobicContact CB-CD2 3.9Å; R41-Y49 HydrophobicContact CB-CG 4.28Å; R41-Y49 HydrophobicContact CG-CD2 3.67Å; R41-Y49 HydrophobicContact CG-CE2 3.82Å; R41-Y49 HydrophobicContact CG-CG 4.41Å; F42-Y49 CarbonylContact O-C 3.51Å; F42-Y49 WeakPolarHBondContact O-CA 3.44Å; F42-Y49 WeakPolarHBondContact O-CB 3.33Å; Y49-A126 HydrophobicContact CD2-CB 4.37Å; Y49-A126 HydrophobicContact CE2-CB 4.2Å; Y49-A126 WeakPolarHBondContact O-CB 3.34Å
50	V	95	Very high	94.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	155.1	161.3	-62.2	0	0	0	0	109.2	R41 F42 V44 V124 R157 H161	R41-V50 WeakPolarHBondContact CA-O 3.29Å; F42-V50 HydrophobicContact CB-CG2 3.98Å; F42-V50 PolarHBondContact N-O 2.98Å; F42-V50 PolarHBondContact O-N 3.12Å; V44-V50 HydrophobicContact CG1-CG1 4.3Å; V50-V124 WeakPolarHBondContact CA-O 3.48Å; V50-V124 WeakPolarHBondContact CB-O 3.47Å; V50-R157 HydrophobicContact CG2-CB 3.71Å; V50-H161 HydrophobicContact CG1-CB 3.79Å
51	T	95.8	Very high	94.5	Very high	3 Å²	3	31 Å²	31	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.4	166.4	-58.8	0	0	0	0	107.7	D28 F53 V124	D28-T51 HydrophobicContact CB-CG2 4.36Å; D28-T51 WeakPolarHBondContact OD1-CG2 3.17Å; D28-T51 PolarHBondContact OD1-OG1 3.36Å; T51-F53 HydrophobicContact CG2-CD2 4.35Å; T51-F53 HydrophobicContact CG2-CE1 4.46Å; T51-F53 HydrophobicContact CG2-CE2 3.56Å; T51-F53 HydrophobicContact CG2-CZ 3.62Å; T51-V124 PolarHBondContact N-O 2.99Å; T51-V124 PolarHBondContact O-N 3.2Å
52	A	96.7	Very high	94.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.1	175.8	0	0	0	0	0	111.1	G39 A40 F42 L54 I122 W123	G39-A52 CarbonylContact C-O 3.16Å; G39-A52 VanDerWaalsContact CA-O 3.24Å; G39-A52 WeakPolarHBondContact CA-O 3.13Å; A40-A52 PolarHBondContact N-O 3.49Å; A40-A52 PolarHBondContact O-N 2.87Å; F42-A52 HydrophobicContact CD2-CB 3.4Å; F42-A52 HydrophobicContact CE2-CB 3.63Å; F42-A52 HydrophobicContact CG-CB 4.14Å; A52-L54 HydrophobicContact CB-CD2 3.97Å; A52-L54 HydrophobicContact CB-CG 4.2Å; A52-I122 CarbonylContact C-O 3.6Å; A52-I122 VanDerWaalsContact CA-O 3.25Å; A52-I122 WeakPolarHBondContact CA-O 3.31Å; A52-W123 HydrophobicContact CB-CG 4.4Å
53	F	98.2	Very high	95	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	96.7	173.8	-54.7	-99.4	0	0	0	107	D28 V30 V37 G39 T51 I56 A83 N121 I122 V124 F211	D28-F53 WeakPolarHBondContact O-CE1 3.35Å; V30-F53 HydrophobicContact CB-CE1 4.22Å; V30-F53 HydrophobicContact CG2-CE1 3.55Å; V30-F53 HydrophobicContact CG2-CE2 4.44Å; V30-F53 HydrophobicContact CG2-CZ 3.45Å; V30-F53 VanDerWaalsContact CG2-CZ 3.45Å; V37-F53 HydrophobicContact CB-CD1 4.5Å; V37-F53 HydrophobicContact CG1-CB 4.49Å; V37-F53 HydrophobicContact CG1-CD1 3.83Å; G39-F53 VanDerWaalsContact N-CE1 3.29Å; T51-F53 HydrophobicContact CG2-CD2 4.35Å; T51-F53 HydrophobicContact CG2-CE1 4.46Å; T51-F53 HydrophobicContact CG2-CE2 3.56Å; T51-F53 HydrophobicContact CG2-CZ 3.62Å; F53-I56 HydrophobicContact CB-CD1 3.79Å; F53-I56 HydrophobicContact CB-CG1 4.29Å; F53-A83 CarbonylContact C-O 3.52Å; F53-A83 WeakPolarHBondContact CA-O 3.41Å; F53-A83 HydrophobicContact CB-CB 4.14Å; F53-N121 CarbonylContact O-C 3.58Å; F53-N121 VanDerWaalsContact O-CA 3.32Å; F53-N121 WeakPolarHBondContact O-CA 3.28Å; F53-I122 HydrophobicContact CB-CB 4.31Å; F53-I122 HydrophobicContact CD2-CB 4.42Å; F53-I122 PolarHBondContact N-O 3.43Å; F53-I122 PolarHBondContact O-N 3.01Å; F53-V124 HydrophobicContact CD2-CG2 4.25Å; F53-V124 HydrophobicContact CE2-CG2 3.92Å; F53-F211 HydrophobicContact CB-CE1 4.33Å; F53-F211 AromaticContact CD1-CE1 3.84Å; F53-F211 HydrophobicContact CD1-CE1 3.84Å; F53-F211 AromaticContact CD2-CD1 3.8Å; F53-F211 HydrophobicContact CD2-CD1 3.8Å; F53-F211 AromaticContact CD2-CE1 3.79Å; F53-F211 HydrophobicContact CD2-CE1 3.79Å; F53-F211 HydrophobicContact CE1-CD1 4.47Å; F53-F211 HydrophobicContact CE1-CE1 4.02Å; F53-F211 AromaticContact CE2-CD1 3.74Å; F53-F211 HydrophobicContact CE2-CD1 3.74Å; F53-F211 HydrophobicContact CE2-CE1 4Å; F53-F211 HydrophobicContact CG-CD1 4.22Å; F53-F211 AromaticContact CG-CE1 3.72Å; F53-F211 HydrophobicContact CG-CE1 3.72Å; F53-F211 HydrophobicContact CZ-CD1 4.1Å; F53-F211 HydrophobicContact CZ-CE1 4.12Å
54	L	98.6	Very high	95.2	Very high	3 Å²	3	26 Å²	26	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136	-173.4	-52.2	-177.1	0	0	0	109.8	F42 A52 A83 A85 Y86 N121 W123	F42-L54 HydrophobicContact CE1-CD1 4.11Å; F42-L54 HydrophobicContact CE2-CD1 4.13Å; F42-L54 HydrophobicContact CZ-CD1 3.49Å; F42-L54 VanDerWaalsContact CZ-CD1 3.49Å; F42-L54 HydrophobicContact CZ-CG 4.38Å; A52-L54 HydrophobicContact CB-CD2 3.97Å; A52-L54 HydrophobicContact CB-CG 4.2Å; L54-A83 PolarHBondContact N-O 3.12Å; L54-A83 CarbonylContact O-C 3.49Å; L54-A83 VanDerWaalsContact O-C 3.28Å; L54-A83 WeakPolarHBondContact O-CA 3.27Å; L54-A83 VanDerWaalsContact O-CB 3.29Å; L54-A83 WeakPolarHBondContact O-CB 3.45Å; L54-A85 CarbonylContact C-O 3.51Å; L54-A85 VanDerWaalsContact C-O 3.27Å; L54-A85 VanDerWaalsContact CB-C 3.48Å; L54-A85 VanDerWaalsContact CB-O 3.25Å; L54-A85 WeakPolarHBondContact CB-O 3.46Å; L54-Y86 HydrophobicContact CB-CD1 4.47Å; L54-Y86 HydrophobicContact CD1-CD1 4.29Å; L54-Y86 HydrophobicContact CD1-CD2 4.08Å; L54-Y86 HydrophobicContact CD1-CE1 4.24Å; L54-Y86 HydrophobicContact CD1-CE2 4.06Å; L54-Y86 HydrophobicContact CD1-CG 4.23Å; L54-Y86 HydrophobicContact CD2-CD1 4.28Å; L54-Y86 HydrophobicContact CD2-CE1 3.88Å; L54-N121 WeakPolarHBondContact CA-OD1 3.46Å; L54-N121 HydrophobicContact CD2-CB 3.87Å; L54-W123 HydrophobicContact CD2-CH2 4.48Å; L54-W123 HydrophobicContact CD2-CZ2 3.9Å
55	G	98.5	Very high	95.5	Very high	11 Å²	11	33.7 Å²	33.7	11%	0.113	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75	42.5	175.2	0	0	0	0	0	115.4	Y119 L120 N121	G55-Y119 VanDerWaalsContact O-CD1 3.29Å; G55-Y119 WeakPolarHBondContact O-CD1 3.47Å; G55-L120 PolarHBondContact N-O 2.9Å; G55-N121 PolarHBondContact N-OD1 2.95Å
56	I	98.8	Very high	96.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	121.8	172.5	-51.9	178.2	0	0	0	109.9	V37 F53 F58 W77 A83 Y119 L120 I122 W203 F211	V37-I56 HydrophobicContact CG1-CD1 4.01Å; V37-I56 HydrophobicContact CG1-CG1 4.04Å; F53-I56 HydrophobicContact CB-CD1 3.79Å; F53-I56 HydrophobicContact CB-CG1 4.29Å; I56-F58 PolarHBondContact O-N 3.49Å; I56-W77 HydrophobicContact CG2-CH2 4.34Å; I56-A83 HydrophobicContact CG1-CB 4.25Å; I56-Y119 CarbonylContact O-C 3.49Å; I56-Y119 VanDerWaalsContact O-CA 3.27Å; I56-Y119 WeakPolarHBondContact O-CA 3.25Å; I56-L120 HydrophobicContact CB-CD1 3.94Å; I56-L120 HydrophobicContact CB-CG 4.43Å; I56-L120 HydrophobicContact CD1-CD1 4.15Å; I56-L120 HydrophobicContact CG1-CD1 4.44Å; I56-L120 PolarHBondContact N-O 3.02Å; I56-L120 PolarHBondContact O-N 3.49Å; I56-I122 HydrophobicContact CD1-CD1 3.75Å; I56-I122 HydrophobicContact CD1-CG1 4.22Å; I56-W203 HydrophobicContact CD1-CH2 4.05Å; I56-W203 HydrophobicContact CG2-CH2 4.16Å; I56-W203 HydrophobicContact CG2-CZ2 3.66Å; I56-F211 HydrophobicContact CD1-CE1 4.28Å; I56-F211 HydrophobicContact CD1-CZ 3.97Å
57	P	98.8	Very high	96.7	Very high	7 Å²	7	29.5 Å²	29.5	5%	0.045	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	125.9	179	27.8	-31.7	0	0	0	111.1	K74 W77 L81 Y119	P57-K74 HydrophobicContact CB-CD 4.02Å; P57-K74 HydrophobicContact CB-CG 3.99Å; P57-K74 HydrophobicContact CG-CD 4.32Å; P57-K74 HydrophobicContact CG-CG 4.09Å; P57-W77 HydrophobicContact CG-CZ3 4.1Å; P57-L81 VanDerWaalsContact CD-CD2 3.45Å; P57-L81 HydrophobicContact CG-CD2 4.31Å; P57-Y119 HydrophobicContact CB-CD1 3.8Å; P57-Y119 HydrophobicContact CB-CE1 3.6Å; P57-Y119 HydrophobicContact CG-CD1 4.44Å; P57-Y119 HydrophobicContact CG-CE1 4.17Å
58	F	98.8	Very high	97.4	Very high	3 Å²	3	26 Å²	26	1%	0.013	14%	0.137	C	C	.	.			trans	-102.8	-18.2	173.8	66.3	-100.2	0	0	0	112.8	I56 K74 L118 Y119 L120 N171 D196 L199 A200 W203	I56-F58 PolarHBondContact O-N 3.49Å; F58-K74 PolarHBondContact O-N 3.31Å; F58-L118 WeakPolarHBondContact CD1-O 3.5Å; F58-L118 HydrophobicContact CE1-CB 4.25Å; F58-L118 HydrophobicContact CE2-CB 4.1Å; F58-L118 HydrophobicContact CZ-CB 3.83Å; F58-L118 HydrophobicContact CZ-CD2 4.04Å; F58-L118 HydrophobicContact CZ-CG 4.45Å; F58-L118 PolarHBondContact N-O 2.69Å; F58-Y119 WeakPolarHBondContact CE1-O 3.29Å; F58-L120 HydrophobicContact CB-CD2 3.99Å; F58-L120 HydrophobicContact CD1-CB 4.19Å; F58-L120 HydrophobicContact CD1-CD2 4.03Å; F58-L120 HydrophobicContact CD1-CG 4.22Å; F58-L120 HydrophobicContact CG-CD2 4.36Å; F58-N171 VanDerWaalsContact CZ-O 3.27Å; F58-N171 WeakPolarHBondContact CZ-O 3.5Å; F58-D196 HydrophobicContact CE2-CB 4.42Å; F58-D196 VanDerWaalsContact CE2-O 3.31Å; F58-D196 WeakPolarHBondContact CE2-O 3.24Å; F58-D196 HydrophobicContact CZ-CB 4.47Å; F58-L199 HydrophobicContact CD2-CB 4.33Å; F58-L199 HydrophobicContact CD2-CD2 4.22Å; F58-L199 HydrophobicContact CD2-CG 4.06Å; F58-L199 HydrophobicContact CE2-CB 4.47Å; F58-A200 HydrophobicContact CD1-CB 3.92Å; F58-A200 HydrophobicContact CD2-CB 3.92Å; F58-A200 HydrophobicContact CE1-CB 3.93Å; F58-A200 HydrophobicContact CE2-CB 3.95Å; F58-A200 HydrophobicContact CG-CB 3.92Å; F58-A200 HydrophobicContact CZ-CB 3.94Å; F58-W203 HydrophobicContact CB-CB 4.03Å; F58-W203 HydrophobicContact CB-CG 3.98Å
59	A	98.8	Very high	97.8	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.025	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-129.1	161.1	177.8	0	0	0	0	0	112.1	P71 E72 K74 L118 L199	A59-P71 HydrophobicContact CB-CB 4.21Å; A59-E72 CarbonylContact C-O 3.57Å; A59-E72 VanDerWaalsContact CA-O 3.27Å; A59-E72 WeakPolarHBondContact CA-O 3.39Å; A59-E72 WeakPolarHBondContact CB-O 3.31Å; A59-K74 WeakPolarHBondContact O-CD 3.38Å; A59-L118 HydrophobicContact CB-CB 3.76Å; A59-L118 HydrophobicContact CB-CD1 3.55Å; A59-L118 HydrophobicContact CB-CG 4.31Å; A59-L199 HydrophobicContact CB-CD2 3.69Å
60	E	98.8	Very high	98.1	Very high	24 Å²	24	28.7 Å²	28.7	11%	0.112	15%	0.148	C	C	.	.			trans	-64.7	145.7	163	-74.9	-68.7	128.2	0	0	111.2	P62 R66 E72 R75	E60-P62 WeakPolarHBondContact O-CD 3.45Å; E60-R66 IonicContact OE2-CZ 3.75Å; E60-R66 IonicContact OE2-NH1 3.89Å; E60-R66 PolarHBondContact OE2-NH1 3.22Å; E60-R66 IonicContact OE2-NH2 3.01Å; E60-E72 HydrophobicContact CB-CB 4.1Å; E60-E72 HydrophobicContact CG-CB 4.13Å; E60-E72 PolarHBondContact N-O 3.38Å; E60-R75 WeakPolarHBondContact OE1-CG 3.43Å; E60-R75 PolarHBondContact OE1-N 3.45Å
61	P	98.7	Very high	98.2	Very high	19 Å²	19	29.7 Å²	29.7	12%	0.123	16%	0.155	C	C	.	.			trans	-58.1	125.9	177.4	-25.2	34.5	0	0	0	111.4	L63 R66 D116	P61-L63 HydrophobicContact CB-CD1 3.79Å; P61-L63 HydrophobicContact CB-CG 3.82Å; P61-L63 PolarHBondContact O-N 2.84Å; P61-R66 WeakPolarHBondContact O-CD 3.35Å; P61-D116 HydrophobicContact CB-CB 4.04Å
62	P	98.4	Very high	98.4	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.026	17%	0.172	C	C	.	.			trans	-79.6	45	-178.5	33.5	-36.4	0	0	0	112.5	E60 R66 R67 E115 L118 R173	E60-P62 WeakPolarHBondContact O-CD 3.45Å; P62-R66 CarbonylContact O-C 3.59Å; P62-R67 WeakPolarHBondContact O-CA 3.03Å; P62-R67 PolarHBondContact O-N 3.19Å; P62-R67 VanDerWaalsContact O-N 3.16Å; P62-E115 VanDerWaalsContact CD-O 3.22Å; P62-E115 WeakPolarHBondContact CD-O 3.41Å; P62-E115 WeakPolarHBondContact CG-O 3.2Å; P62-L118 HydrophobicContact CG-CD1 3.97Å; P62-L118 HydrophobicContact CG-CG 4.24Å; P62-R173 HydrophobicContact CG-CG 4.44Å
63	L	98.1	Very high	98.5	Very high	85 Å²	85	37.4 Å²	37.4	45%	0.445	20%	0.198	S	C	.	.			trans	-84.6	151.1	-174.9	-60.2	172.5	0	0	0	112.9	P61 K65 R66 E115	P61-L63 HydrophobicContact CB-CD1 3.79Å; P61-L63 HydrophobicContact CB-CG 3.82Å; P61-L63 PolarHBondContact O-N 2.84Å; L63-K65 PolarHBondContact O-N 3.37Å; L63-K65 VanDerWaalsContact O-N 3.15Å; L63-R66 WeakPolarHBondContact O-CB 3.43Å; L63-R66 PolarHBondContact O-N 3.03Å; L63-E115 HydrophobicContact CD2-CB 3.57Å
64	G	96.9	Very high	98.5	Very high	40 Å²	40	40 Å²	40	41%	0.412	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	56	-116.8	172.1	0	0	0	0	0	112.5	R66 R67	G64-R66 PolarHBondContact O-N 3.44Å; G64-R66 VanDerWaalsContact O-N 3.14Å; G64-R67 VanDerWaalsContact O-CB 3.28Å; G64-R67 WeakPolarHBondContact O-CB 2.97Å; G64-R67 PolarHBondContact O-N 3.3Å
65	K	97.3	Very high	98.4	Very high	169 Å²	169	48.2 Å²	48.2	74%	0.735	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-64.1	-15.2	178.5	-66.5	-167.8	177.1	-170.6	0	114.4	L63 R69 R291	L63-K65 PolarHBondContact O-N 3.37Å; L63-K65 VanDerWaalsContact O-N 3.15Å; K65-R69 WeakPolarHBondContact O-CD 3.32Å; K65-R291 VanDerWaalsContact O-CZ 3.23Å; K65-R291 PolarHBondContact O-NH2 3.2Å
66	R	98.4	Very high	98.3	Very high	67 Å²	67	55.8 Å²	55.8	25%	0.253	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-87.5	-11.4	174.8	-67.3	176	171.1	163.4	-8.8	112.9	E60 P61 P62 L63 G64 F68 R69 E72	E60-R66 IonicContact OE2-CZ 3.75Å; E60-R66 IonicContact OE2-NH1 3.89Å; E60-R66 PolarHBondContact OE2-NH1 3.22Å; E60-R66 IonicContact OE2-NH2 3.01Å; P61-R66 WeakPolarHBondContact O-CD 3.35Å; P62-R66 CarbonylContact O-C 3.59Å; L63-R66 WeakPolarHBondContact O-CB 3.43Å; L63-R66 PolarHBondContact O-N 3.03Å; G64-R66 PolarHBondContact O-N 3.44Å; G64-R66 VanDerWaalsContact O-N 3.14Å; R66-F68 PolarHBondContact O-N 3.3Å; R66-R69 WeakPolarHBondContact O-CB 3.44Å; R66-R69 PolarHBondContact O-N 3.01Å; R66-E72 IonicContact CZ-OE2 2.7Å; R66-E72 IonicContact NE-OE1 3.55Å; R66-E72 IonicContact NE-OE2 2.78Å; R66-E72 PolarHBondContact NE-OE2 2.99Å; R66-E72 IonicContact NH2-OE2 3.65Å; R66-E72 PolarHBondContact NH2-OE2 3.37Å
67	R	98.8	Very high	98.3	Very high	13 Å²	13	58.1 Å²	58.1	5%	0.049	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	135.3	173.4	-175.9	-169.8	-66.5	174.2	-1.9	109.2	P62 G64 R69 E115 F177 L290 R291 K293	P62-R67 WeakPolarHBondContact O-CA 3.03Å; P62-R67 PolarHBondContact O-N 3.19Å; P62-R67 VanDerWaalsContact O-N 3.16Å; G64-R67 VanDerWaalsContact O-CB 3.28Å; G64-R67 WeakPolarHBondContact O-CB 2.97Å; G64-R67 PolarHBondContact O-N 3.3Å; R67-R69 PolarHBondContact O-N 2.92Å; R67-E115 WeakPolarHBondContact CD-OE1 3.24Å; R67-E115 VanDerWaalsContact CG-OE1 3.3Å; R67-E115 WeakPolarHBondContact CG-OE1 3.47Å; R67-E115 IonicContact CZ-OE1 2.74Å; R67-E115 IonicContact CZ-OE2 3.38Å; R67-E115 VanDerWaalsContact NE-CD 3.32Å; R67-E115 IonicContact NE-OE1 2.68Å; R67-E115 PolarHBondContact NE-OE1 3.42Å; R67-E115 IonicContact NE-OE2 3.7Å; R67-E115 PolarHBondContact NE-OE2 3.39Å; R67-E115 IonicContact NH2-OE1 3.37Å; R67-E115 IonicContact NH2-OE2 3.69Å; R67-E115 PolarHBondContact NH2-OE2 3.27Å; R67-F177 HydrophobicContact CG-CD1 4.28Å; R67-L290 PolarHBondContact NH1-O 3.05Å; R67-R291 HydrophobicContact CB-CG 4.24Å; R67-R291 PolarHBondContact NH1-O 3.03Å; R67-R291 PolarHBondContact O-NE 3.1Å; R67-R291 VanDerWaalsContact O-NE 3.08Å; R67-R291 PolarHBondContact O-NH2 2.74Å; R67-K293 PolarHBondContact NH1-O 3.19Å; R67-K293 PolarHBondContact NH2-O 3.03Å
68	F	98.8	Very high	98.1	Very high	1 Å²	1	64.6 Å²	64.6	0%	0.004	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	-5.1	-173.4	-40.1	-58.6	0	0	0	116.7	R66 A176 F177 L180 E187 A188 V192 V287 L290 R291 L298	R66-F68 PolarHBondContact O-N 3.3Å; F68-A176 VanDerWaalsContact CD1-O 3.31Å; F68-A176 WeakPolarHBondContact CD1-O 3.25Å; F68-A176 WeakPolarHBondContact CE1-O 3.35Å; F68-F177 HydrophobicContact CE1-CD1 4.47Å; F68-L180 HydrophobicContact CD1-CB 4.18Å; F68-L180 HydrophobicContact CE1-CB 4.49Å; F68-L180 HydrophobicContact CE1-CD1 4.39Å; F68-E187 CarbonylContact C-O 3.5Å; F68-A188 HydrophobicContact CB-CB 3.85Å; F68-V192 WeakPolarHBondContact O-CG1 3.45Å; F68-V287 HydrophobicContact CD2-CG1 3.98Å; F68-L290 HydrophobicContact CE2-CB 3.76Å; F68-L290 HydrophobicContact CZ-CB 4.14Å; F68-R291 HydrophobicContact CD2-CG 4.09Å; F68-R291 HydrophobicContact CE2-CG 4.01Å; F68-L298 HydrophobicContact CE1-CD1 4.42Å; F68-L298 HydrophobicContact CZ-CD1 3.87Å
69	R	98.6	Very high	98	Very high	94 Å²	94	66.8 Å²	66.8	36%	0.355	34%	0.337	S	S	.	.	S	Bend	trans	-86.2	156.5	179.6	-62.8	-168.3	70.6	173.6	-0.7	112	K65 R66 R67 R173 E187	K65-R69 WeakPolarHBondContact O-CD 3.32Å; R66-R69 WeakPolarHBondContact O-CB 3.44Å; R66-R69 PolarHBondContact O-N 3.01Å; R67-R69 PolarHBondContact O-N 2.92Å; R69-R173 PolarHBondContact O-NH1 2.91Å; R69-R173 PolarHBondContact O-NH2 3.13Å; R69-E187 IonicContact CZ-OE1 3.57Å; R69-E187 IonicContact NH1-OE1 2.74Å
70	P	98.7	Very high	97.9	Very high	56 Å²	56	70.6 Å²	70.6	36%	0.364	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-49.5	142.5	167.8	-28.9	36.9	0	0	0	111.8	P189 V192 L195	P70-P189 HydrophobicContact CG-CG 4Å; P70-V192 HydrophobicContact CG-CG1 4.31Å; P70-L195 HydrophobicContact CB-CD1 3.92Å; P70-L195 HydrophobicContact CG-CD1 4.1Å
71	P	98.8	Very high	97.9	Very high	22 Å²	22	71.7 Å²	71.7	14%	0.143	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-67.6	144.7	-179.2	30.3	-36.3	0	0	0	111.7	A59 L118 L195 D196 L199	A59-P71 HydrophobicContact CB-CB 4.21Å; P71-L118 HydrophobicContact CB-CD1 4.24Å; P71-L195 HydrophobicContact CG-CB 4.06Å; P71-D196 WeakPolarHBondContact CB-OD1 3.21Å; P71-D196 WeakPolarHBondContact CG-OD1 3.37Å; P71-L199 HydrophobicContact CB-CD2 3.74Å; P71-L199 HydrophobicContact CG-CB 4.29Å; P71-L199 HydrophobicContact CG-CD2 3.96Å
72	E	98.6	Very high	97.8	Very high	81 Å²	81	76 Å²	76	38%	0.379	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-98.3	137.1	171.2	-69.1	174	-164.9	0	0	109.4	A59 E60 R66 K74	A59-E72 CarbonylContact C-O 3.57Å; A59-E72 VanDerWaalsContact CA-O 3.27Å; A59-E72 WeakPolarHBondContact CA-O 3.39Å; A59-E72 WeakPolarHBondContact CB-O 3.31Å; E60-E72 HydrophobicContact CB-CB 4.1Å; E60-E72 HydrophobicContact CG-CB 4.13Å; E60-E72 PolarHBondContact N-O 3.38Å; R66-E72 IonicContact CZ-OE2 2.7Å; R66-E72 IonicContact NE-OE1 3.55Å; R66-E72 IonicContact NE-OE2 2.78Å; R66-E72 PolarHBondContact NE-OE2 2.99Å; R66-E72 IonicContact NH2-OE2 3.65Å; R66-E72 PolarHBondContact NH2-OE2 3.37Å; E72-K74 PolarHBondContact O-N 3.4Å
73	P	98.6	Very high	97.7	Very high	83 Å²	83	75.8 Å²	75.8	54%	0.539	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-54.8	137.4	174.8	-24.1	32.5	0	0	0	112.3	R75 L199	P73-R75 PolarHBondContact O-N 2.93Å; P73-L199 HydrophobicContact CB-CD1 4.22Å; P73-L199 HydrophobicContact CG-CD1 3.93Å
74	K	98.3	Very high	97.6	Very high	56 Å²	56	75.7 Å²	75.7	24%	0.243	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-57.6	128.4	178.1	-177.2	60.3	175.6	-173.4	0	110.7	P57 F58 A59 E72 W77	P57-K74 HydrophobicContact CB-CD 4.02Å; P57-K74 HydrophobicContact CB-CG 3.99Å; P57-K74 HydrophobicContact CG-CD 4.32Å; P57-K74 HydrophobicContact CG-CG 4.09Å; F58-K74 PolarHBondContact O-N 3.31Å; A59-K74 WeakPolarHBondContact O-CD 3.38Å; E72-K74 PolarHBondContact O-N 3.4Å; K74-W77 HydrophobicContact CG-CE3 4.33Å; K74-W77 HydrophobicContact CG-CZ3 4.19Å
75	R	97.4	Very high	97.6	Very high	175 Å²	175	76.7 Å²	76.7	66%	0.66	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-64.8	148.2	172.9	-68.7	178.5	-177.6	176.4	2.9	110.8	E60 P73 W77	E60-R75 WeakPolarHBondContact OE1-CG 3.43Å; E60-R75 PolarHBondContact OE1-N 3.45Å; P73-R75 PolarHBondContact O-N 2.93Å; R75-W77 PolarHBondContact O-N 3.5Å
76	R	97.1	Very high	97.7	Very high	170 Å²	170	70.1 Å²	70.1	64%	0.642	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-55.4	137	173.6	-71.9	-173.6	170.9	-179.3	1.7	110.7	H33 S34	H33-R76 PolarHBondContact CD2-NH2 3.2Å; H33-R76 PolarHBondContact NE2-NH2 3.08Å; H33-R76 PolarHBondContact O-NE 2.81Å; S34-R76 CarbonylContact O-C 3.59Å; S34-R76 WeakPolarHBondContact O-CA 3.42Å
77	W	96.9	Very high	97.6	Very high	48 Å²	48	67.5 Å²	67.5	18%	0.182	35%	0.346	C	S	.	.			trans	-104.5	156.3	172.3	62	88.3	0	0	0	111	S34 L36 V37 I56 P57 K74 R75 L81	S34-W77 PolarHBondContact O-N 3.06Å; L36-W77 PolarHBondContact O-NE1 2.84Å; V37-W77 HydrophobicContact CG2-CH2 4.32Å; V37-W77 HydrophobicContact CG2-CZ2 3.67Å; I56-W77 HydrophobicContact CG2-CH2 4.34Å; P57-W77 HydrophobicContact CG-CZ3 4.1Å; K74-W77 HydrophobicContact CG-CE3 4.33Å; K74-W77 HydrophobicContact CG-CZ3 4.19Å; R75-W77 PolarHBondContact O-N 3.5Å; W77-L81 HydrophobicContact CH2-CD2 4.35Å; W77-L81 HydrophobicContact CZ2-CB 4.25Å; W77-L81 HydrophobicContact CZ2-CD2 4.08Å
78	T	96.1	Very high	97.6	Very high	143 Å²	143	69.5 Å²	69.5	88%	0.877	36%	0.358	S	S	*	.	S	Bend	trans	-100.2	150.2	171.4	54.6	0	0	0	0	110
79	G	95.9	Very high	97.6	Very high	50 Å²	50	69.4 Å²	69.4	52%	0.515	36%	0.358	S	S	.	.	S	Bend	trans	82	-167.1	-176.2	0	0	0	0	0	112.6
80	I	97.3	Very high	97.6	Very high	83 Å²	83	65.1 Å²	65.1	43%	0.426	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128	-176.8	-59.8	174.1	0	0	0	108.5	L29 L36 Q38	L29-I80 HydrophobicContact CD1-CD1 4.14Å; L29-I80 HydrophobicContact CD1-CG1 4.25Å; L29-I80 HydrophobicContact CD1-CG2 3.85Å; L36-I80 HydrophobicContact CB-CG1 4.1Å; L36-I80 HydrophobicContact CD1-CG1 4.1Å; Q38-I80 HydrophobicContact CB-CG2 3.53Å
81	L	97.7	Very high	97.6	Very high	47 Å²	47	65.6 Å²	65.6	25%	0.246	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	117.9	169.3	176.9	69.4	0	0	0	109.3	L36 V37 Q38 P57 W77 A83	L36-L81 PolarHBondContact O-N 3.08Å; V37-L81 CarbonylContact C-O 3.28Å; V37-L81 WeakPolarHBondContact CA-O 3.22Å; V37-L81 HydrophobicContact CG2-CD2 4.5Å; Q38-L81 PolarHBondContact N-O 2.96Å; P57-L81 VanDerWaalsContact CD-CD2 3.45Å; P57-L81 HydrophobicContact CG-CD2 4.31Å; W77-L81 HydrophobicContact CH2-CD2 4.35Å; W77-L81 HydrophobicContact CZ2-CB 4.25Å; W77-L81 HydrophobicContact CZ2-CD2 4.08Å; L81-A83 PolarHBondContact O-N 3.49Å
82	E	97.2	Very high	97.6	Very high	109 Å²	109	64.8 Å²	64.8	51%	0.509	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	104.4	172.2	-65.7	-62.6	144	0	0	110.1
83	A	97.2	Very high	97.6	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.328	C	S	.	.			trans	-103.8	57.9	-177.1	0	0	0	0	0	111.1	V37 Q38 F53 L54 I56 L81	V37-A83 HydrophobicContact CG1-CB 3.44Å; V37-A83 VanDerWaalsContact CG1-CB 3.44Å; Q38-A83 WeakPolarHBondContact O-CA 3.27Å; Q38-A83 WeakPolarHBondContact O-CB 3.47Å; Q38-A83 PolarHBondContact O-N 3.35Å; F53-A83 CarbonylContact C-O 3.52Å; F53-A83 WeakPolarHBondContact CA-O 3.41Å; F53-A83 HydrophobicContact CB-CB 4.14Å; L54-A83 PolarHBondContact N-O 3.12Å; L54-A83 CarbonylContact O-C 3.49Å; L54-A83 VanDerWaalsContact O-C 3.28Å; L54-A83 WeakPolarHBondContact O-CA 3.27Å; L54-A83 VanDerWaalsContact O-CB 3.29Å; L54-A83 WeakPolarHBondContact O-CB 3.45Å; I56-A83 HydrophobicContact CG1-CB 4.25Å; L81-A83 PolarHBondContact O-N 3.49Å
84	N	95.3	Very high	97.6	Very high	83 Å²	83	63 Å²	63	44%	0.444	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-112.9	1.4	-174.6	64	18.5	0	0	0	114.2	A40	A40-N84 HydrophobicContact CB-CB 3.72Å
85	A	96.8	Very high	97.5	Very high	60 Å²	60	61 Å²	61	50%	0.496	31%	0.309	S	S	.	.	S	Bend	trans	-137.1	147.5	-179.9	0	0	0	0	0	111	L54	L54-A85 CarbonylContact C-O 3.51Å; L54-A85 VanDerWaalsContact C-O 3.27Å; L54-A85 VanDerWaalsContact CB-C 3.48Å; L54-A85 VanDerWaalsContact CB-O 3.25Å; L54-A85 WeakPolarHBondContact CB-O 3.46Å
86	Y	98.5	Very high	97.5	Very high	31 Å²	31	57.4 Å²	57.4	12%	0.122	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-64.4	147.9	175.9	-75.7	-71.1	0	0	0	111.8	L54 W123	L54-Y86 HydrophobicContact CB-CD1 4.47Å; L54-Y86 HydrophobicContact CD1-CD1 4.29Å; L54-Y86 HydrophobicContact CD1-CD2 4.08Å; L54-Y86 HydrophobicContact CD1-CE1 4.24Å; L54-Y86 HydrophobicContact CD1-CE2 4.06Å; L54-Y86 HydrophobicContact CD1-CG 4.23Å; L54-Y86 HydrophobicContact CD2-CD1 4.28Å; L54-Y86 HydrophobicContact CD2-CE1 3.88Å; Y86-W123 HydrophobicContact CE1-CH2 4.2Å; Y86-W123 AromaticContact CE1-CZ2 3.96Å; Y86-W123 HydrophobicContact CE1-CZ2 3.96Å; Y86-W123 WeakPolarHBondContact OH-CZ2 3.36Å
87	P	97.6	Very high	97.4	Very high	12 Å²	12	52 Å²	52	8%	0.078	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-73.3	171.2	175	34.9	-36.9	0	0	0	111.2	Y119 N121	P87-Y119 VanDerWaalsContact CB-CB 3.49Å; P87-Y119 HydrophobicContact CB-CD1 4.25Å; P87-Y119 HydrophobicContact CB-CD2 3.6Å; P87-Y119 HydrophobicContact CB-CE2 4.46Å; P87-Y119 HydrophobicContact CB-CG 3.53Å; P87-Y119 HydrophobicContact CG-CG 4.24Å; P87-N121 WeakPolarHBondContact CD-OD1 3.23Å
88	N	98.8	Very high	97.3	Very high	55 Å²	55	52.2 Å²	52.2	29%	0.294	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-60.4	146.9	166.9	-66.8	-28.7	0	0	0	111	E112 N171	N88-E112 CarbonylContact C-O 3.58Å; N88-E112 VanDerWaalsContact CA-O 3.23Å; N88-E112 WeakPolarHBondContact CA-O 3.28Å; N88-E112 VanDerWaalsContact CB-O 3.24Å; N88-E112 WeakPolarHBondContact CB-O 3.37Å; N88-N171 PolarHBondContact O-ND2 3.44Å
89	A	98.8	Very high	97.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	156.1	167	0	0	0	0	0	109.8	P109 E112 M113 S114	A89-P109 HydrophobicContact CB-CB 3.86Å; A89-P109 HydrophobicContact CB-CG 4.42Å; A89-E112 PolarHBondContact N-O 3.12Å; A89-M113 HydrophobicContact CB-CG 4.39Å; A89-M113 WeakPolarHBondContact O-CA 3.28Å; A89-S114 PolarHBondContact O-N 2.89Å
90	C	98.9	Very high	97.3	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.02	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	146.8	170.1	-62.2	0	0	0	0	110.3	Q92 C117 Y172 I174	C90-Q92 WeakPolarHBondContact O-CG 3.46Å; C90-Q92 PolarHBondContact O-N 2.58Å; C90-Q92 PolarHBondContact O-NE2 2.72Å; C90-C117 WeakPolarHBondContact CA-SG 3.43Å; C90-C117 HydrophobicContact CB-CB 3.86Å; C90-C117 WeakPolarHBondContact CB-SG 3.49Å; C90-C117 WeakPolarHBondContact SG-CB 3.48Å; C90-C117 CovalentContact SG-SG 2.05Å; C90-C117 PolarHBondContact SG-SG 2.71Å; C90-Y172 PolarHBondContact SG-O 3Å; C90-I174 HydrophobicContact CB-CD1 4.45Å; C90-I174 HydrophobicContact CB-CG1 4.11Å
91	Y	98.8	Very high	97.3	Very high	67 Å²	67	49.1 Å²	49.1	26%	0.263	28%	0.282	S	S	.	.	S	Bend	trans	-54	131.1	171.2	-91.8	-67.7	0	0	0	111.5	M113 S114 E115 P295 I299	Y91-M113 HydrophobicContact CD1-CB 3.81Å; Y91-M113 HydrophobicContact CD1-CE 4.42Å; Y91-M113 HydrophobicContact CD1-SD 4.38Å; Y91-M113 HydrophobicContact CE1-CB 3.97Å; Y91-M113 HydrophobicContact CG-CB 4.24Å; Y91-S114 VanDerWaalsContact CD2-C 3.46Å; Y91-S114 PolarHBondContact N-O 3.07Å; Y91-E115 HydrophobicContact CD2-CB 4.5Å; Y91-E115 HydrophobicContact CD2-CG 3.75Å; Y91-E115 HydrophobicContact CE2-CG 4.28Å; Y91-P295 HydrophobicContact CD1-CB 3.7Å; Y91-P295 HydrophobicContact CD2-CB 3.55Å; Y91-P295 HydrophobicContact CD2-CG 3.69Å; Y91-P295 HydrophobicContact CE1-CB 3.88Å; Y91-P295 HydrophobicContact CE1-CG 4.42Å; Y91-P295 HydrophobicContact CE2-CB 3.73Å; Y91-P295 HydrophobicContact CE2-CG 3.52Å; Y91-P295 HydrophobicContact CG-CB 3.53Å; Y91-P295 HydrophobicContact CG-CG 4.21Å; Y91-I299 HydrophobicContact CD1-CD1 4.1Å
92	Q	98.8	Very high	97.2	Very high	5 Å²	5	53.2 Å²	53.2	2%	0.023	30%	0.3	C	S	.	.			trans	-160.8	166.4	-173	61	-167.8	-85.6	0	0	111.5	C90 P109 M113 Y145 G147 I174	C90-Q92 WeakPolarHBondContact O-CG 3.46Å; C90-Q92 PolarHBondContact O-N 2.58Å; C90-Q92 PolarHBondContact O-NE2 2.72Å; Q92-P109 VanDerWaalsContact CD-CG 3.44Å; Q92-P109 HydrophobicContact CG-CG 3.72Å; Q92-M113 HydrophobicContact CG-SD 3.69Å; Q92-Y145 WeakPolarHBondContact CB-O 3.42Å; Q92-G147 PolarHBondContact NE2-O 2.86Å; Q92-G147 PolarHBondContact OE1-O 2.9Å; Q92-I174 HydrophobicContact CB-CD1 3.55Å; Q92-I174 HydrophobicContact CB-CG1 4.33Å; Q92-I174 HydrophobicContact CG-CD1 4.26Å
93	Y	97.9	Very high	97	Very high	76 Å²	76	48.1 Å²	48.1	30%	0.298	28%	0.276	S	S	.	.			trans	-63.5	139.1	164.9	175.7	-91.1	0	0	0	110.3	D95 Y145 W303	Y93-D95 HydrophobicContact CE1-CB 4.25Å; Y93-Y145 HydrophobicContact CD1-CE2 4.1Å; Y93-W303 AromaticContact CD2-NE1 3.51Å; Y93-W303 AromaticContact CE2-NE1 3.98Å; Y93-W303 AromaticContact CG-NE1 3.71Å
94	V	98.1	Very high	96.9	Very high	50 Å²	50	48.2 Å²	48.2	30%	0.303	28%	0.277	S	S	.	.			trans	-112.2	125.7	175.8	-179.2	0	0	0	0	108.3	T96 N108 P109 M113	V94-T96 HydrophobicContact CG1-CG2 4.38Å; V94-T96 PolarHBondContact O-N 3.26Å; V94-N108 HydrophobicContact CG1-CB 4.26Å; V94-P109 HydrophobicContact CG2-CG 4.33Å; V94-M113 HydrophobicContact CG2-CE 3.7Å; V94-M113 HydrophobicContact CG2-SD 4.05Å
95	D	96.9	Very high	97	Very high	15 Å²	15	48.7 Å²	48.7	8%	0.08	28%	0.277	C	S	.	.			trans	-74	115.5	177.9	177.2	20.1	0	0	0	110.6	Y93 S97 T104 N108 Y358	Y93-D95 HydrophobicContact CE1-CB 4.25Å; D95-S97 WeakPolarHBondContact OD1-CB 3.2Å; D95-S97 PolarHBondContact OD1-N 3.11Å; D95-S97 PolarHBondContact OD1-OG 2.7Å; D95-T104 WeakPolarHBondContact OD2-CG2 3.22Å; D95-N108 PolarHBondContact N-OD1 3.04Å; D95-N108 PolarHBondContact O-ND2 2.83Å; D95-Y358 VanDerWaalsContact OD2-CE1 3.28Å; D95-Y358 WeakPolarHBondContact OD2-CE1 3.41Å; D95-Y358 VanDerWaalsContact OD2-CZ 3.28Å; D95-Y358 PolarHBondContact OD2-OH 3.33Å
96	T	96.4	Very high	97	Very high	98 Å²	98	47.8 Å²	47.8	60%	0.601	26%	0.263	S	S	*	.			trans	-114.6	16.7	178	55.1	0	0	0	0	112.4	V94 Y98 P99	V94-T96 HydrophobicContact CG1-CG2 4.38Å; V94-T96 PolarHBondContact O-N 3.26Å; T96-Y98 VanDerWaalsContact C-N 3.32Å; T96-Y98 PolarHBondContact O-N 2.95Å; T96-P99 WeakPolarHBondContact O-CD 3.36Å; T96-P99 WeakPolarHBondContact O-CG 3.43Å
97	S	94.9	Very high	97	Very high	58 Å²	58	48.4 Å²	48.4	41%	0.406	27%	0.265	S	S	.	.	S	Bend	trans	-64.8	-35.3	-175.8	-51	0	0	0	0	112.7	D95	D95-S97 WeakPolarHBondContact OD1-CB 3.2Å; D95-S97 PolarHBondContact OD1-N 3.11Å; D95-S97 PolarHBondContact OD1-OG 2.7Å
98	Y	95.9	Very high	97.1	Very high	52 Å²	52	49 Å²	49	20%	0.204	27%	0.267	C	S	.	.	S	Bend	trans	-132.4	77.5	178.5	-56.8	-69.9	0	0	0	111.4	T96 G100 F101 T104 L357 K365 W473	T96-Y98 VanDerWaalsContact C-N 3.32Å; T96-Y98 PolarHBondContact O-N 2.95Å; Y98-G100 PolarHBondContact O-N 3.07Å; Y98-F101 WeakPolarHBondContact O-CB 3.43Å; Y98-F101 PolarHBondContact O-N 2.87Å; Y98-T104 HydrophobicContact CD2-CG2 3.79Å; Y98-T104 PolarHBondContact O-OG1 3.33Å; Y98-L357 HydrophobicContact CE2-CD2 4.14Å; Y98-K365 HydrophobicContact CD1-CD 4.01Å; Y98-K365 HydrophobicContact CD2-CD 4.45Å; Y98-K365 HydrophobicContact CE1-CB 4.08Å; Y98-K365 HydrophobicContact CE1-CD 4.19Å; Y98-K365 HydrophobicContact CG-CD 4.14Å; Y98-W473 HydrophobicContact CD2-CH2 4.42Å; Y98-W473 HydrophobicContact CE2-CZ3 4.49Å
99	P	96.1	Very high	97.1	Very high	107 Å²	107	47.7 Å²	47.7	70%	0.695	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	133.7	180	-22.6	34.9	0	0	0	112.2	T96 F101	T96-P99 WeakPolarHBondContact O-CD 3.36Å; T96-P99 WeakPolarHBondContact O-CG 3.43Å; P99-F101 VanDerWaalsContact C-N 3.29Å
100	G	96.1	Very high	97	Very high	64 Å²	64	50.5 Å²	50.5	66%	0.66	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	3.4	-177.3	0	0	0	0	0	115.1	Y98 E105	Y98-G100 PolarHBondContact O-N 3.07Å; G100-E105 WeakPolarHBondContact CA-OE1 3.15Å; G100-E105 PolarHBondContact N-OE1 3.3Å
101	F	97.4	Very high	97	Very high	39 Å²	39	55.9 Å²	55.9	17%	0.171	30%	0.296	C	S	.	.			trans	-96	116.2	178.3	178.5	-112.7	0	0	0	111	Y98 P99 G103 T104 E105 K365 A472 W473	Y98-F101 WeakPolarHBondContact O-CB 3.43Å; Y98-F101 PolarHBondContact O-N 2.87Å; P99-F101 VanDerWaalsContact C-N 3.29Å; F101-G103 VanDerWaalsContact CE1-CA 3.49Å; F101-G103 PolarHBondContact O-N 2.83Å; F101-T104 HydrophobicContact CD1-CG2 3.97Å; F101-T104 HydrophobicContact CE1-CG2 4.44Å; F101-T104 PolarHBondContact O-N 2.75Å; F101-T104 PolarHBondContact O-OG1 2.93Å; F101-E105 PolarHBondContact O-N 3.22Å; F101-K365 HydrophobicContact CD1-CD 4.05Å; F101-K365 HydrophobicContact CD2-CD 4.35Å; F101-K365 HydrophobicContact CE1-CD 3.95Å; F101-K365 HydrophobicContact CE2-CD 4.25Å; F101-K365 HydrophobicContact CG-CD 4.25Å; F101-K365 HydrophobicContact CZ-CD 4.05Å; F101-A472 HydrophobicContact CE2-CB 3.65Å; F101-A472 WeakPolarHBondContact CE2-O 3.36Å; F101-A472 HydrophobicContact CZ-CB 3.78Å; F101-A472 WeakPolarHBondContact CZ-O 3.39Å; F101-W473 HydrophobicContact CD1-CH2 4.21Å; F101-W473 HydrophobicContact CD1-CZ2 4.48Å; F101-W473 HydrophobicContact CD1-CZ3 4.27Å; F101-W473 AromaticContact CE1-CD2 3.71Å; F101-W473 HydrophobicContact CE1-CD2 3.71Å; F101-W473 AromaticContact CE1-CE2 3.73Å; F101-W473 AromaticContact CE1-CE3 3.54Å; F101-W473 HydrophobicContact CE1-CE3 3.54Å; F101-W473 AromaticContact CE1-CH2 3.59Å; F101-W473 HydrophobicContact CE1-CH2 3.59Å; F101-W473 AromaticContact CE1-CZ2 3.72Å; F101-W473 HydrophobicContact CE1-CZ2 3.72Å; F101-W473 AromaticContact CE1-CZ3 3.44Å; F101-W473 HydrophobicContact CE1-CZ3 3.44Å; F101-W473 VanDerWaalsContact CE1-CZ3 3.44Å; F101-W473 AromaticContact CZ-CD2 3.9Å; F101-W473 HydrophobicContact CZ-CD2 3.9Å; F101-W473 AromaticContact CZ-CE3 3.82Å; F101-W473 HydrophobicContact CZ-CE3 3.82Å; F101-W473 HydrophobicContact CZ-CG 4.39Å; F101-W473 HydrophobicContact CZ-CZ3 4.17Å
102	Q	94.1	Very high	97	Very high	134 Å²	134	60 Å²	60	63%	0.626	32%	0.318	S	S	*	.	H	α-helix	trans	-57.6	-35.4	-175.4	-174.3	-174.3	-11.3	0	0	113.3	T104 E105 M106	Q102-T104 PolarHBondContact O-N 3.39Å; Q102-T104 VanDerWaalsContact O-N 3.16Å; Q102-E105 PolarHBondContact O-N 3.12Å; Q102-M106 VanDerWaalsContact O-CB 3.25Å; Q102-M106 WeakPolarHBondContact O-CB 3.27Å; Q102-M106 WeakPolarHBondContact O-CG 3.48Å; Q102-M106 PolarHBondContact O-N 2.87Å
103	G	93.8	Very high	97	Very high	2 Å²	2	62.1 Å²	62.1	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-24.3	-177.5	0	0	0	0	0	114	F101 W107 W473 Y483	F101-G103 VanDerWaalsContact CE1-CA 3.49Å; F101-G103 PolarHBondContact O-N 2.83Å; G103-W107 PolarHBondContact O-NE1 3.01Å; G103-W473 WeakPolarHBondContact O-CZ2 3.3Å; G103-W473 PolarHBondContact O-NE1 3.07Å; G103-Y483 PolarHBondContact O-OH 3.14Å
104	T	95.1	Very high	97	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.012	32%	0.324	C	S	.	.	H	α-helix	trans	-98.5	-48.6	172.1	50	0	0	0	0	112.3	D95 Y98 F101 Q102 M106 W107 Y358 W473	D95-T104 WeakPolarHBondContact OD2-CG2 3.22Å; Y98-T104 HydrophobicContact CD2-CG2 3.79Å; Y98-T104 PolarHBondContact O-OG1 3.33Å; F101-T104 HydrophobicContact CD1-CG2 3.97Å; F101-T104 HydrophobicContact CE1-CG2 4.44Å; F101-T104 PolarHBondContact O-N 2.75Å; F101-T104 PolarHBondContact O-OG1 2.93Å; Q102-T104 PolarHBondContact O-N 3.39Å; Q102-T104 VanDerWaalsContact O-N 3.16Å; T104-M106 PolarHBondContact O-N 2.94Å; T104-W107 PolarHBondContact O-N 2.96Å; T104-Y358 WeakPolarHBondContact CG2-OH 3.38Å; T104-W473 HydrophobicContact CG2-CH2 3.4Å; T104-W473 VanDerWaalsContact CG2-CH2 3.4Å; T104-W473 HydrophobicContact CG2-CZ2 3.68Å
105	E	97.3	Very high	97.1	Very high	93 Å²	93	58.5 Å²	58.5	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-64.4	-25.1	-173.3	-68.7	-172.3	159.6	0	0	113.3	G100 F101 Q102 W107 N108	G100-E105 WeakPolarHBondContact CA-OE1 3.15Å; G100-E105 PolarHBondContact N-OE1 3.3Å; F101-E105 PolarHBondContact O-N 3.22Å; Q102-E105 PolarHBondContact O-N 3.12Å; E105-W107 PolarHBondContact O-N 3.27Å; E105-W107 VanDerWaalsContact O-N 3.17Å; E105-N108 PolarHBondContact O-N 3.37Å; E105-N108 VanDerWaalsContact O-N 3.14Å
106	M	97.7	Very high	97.2	Very high	41 Å²	41	59.8 Å²	59.8	20%	0.202	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.6	174.8	70.4	-178.3	-72.5	0	0	113.7	Q102 T104 V153 Y483	Q102-M106 VanDerWaalsContact O-CB 3.25Å; Q102-M106 WeakPolarHBondContact O-CB 3.27Å; Q102-M106 WeakPolarHBondContact O-CG 3.48Å; Q102-M106 PolarHBondContact O-N 2.87Å; T104-M106 PolarHBondContact O-N 2.94Å; M106-V153 HydrophobicContact CE-CB 4.25Å; M106-V153 HydrophobicContact CE-CG1 4.49Å; M106-V153 HydrophobicContact CE-CG2 4.37Å; M106-Y483 HydrophobicContact SD-CE1 4.14Å; M106-Y483 PolarHBondContact SD-OH 2.75Å
107	W	98.4	Very high	97.3	Very high	44 Å²	44	55.1 Å²	55.1	17%	0.167	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-12.1	179	-55	112.1	0	0	0	113.3	G103 T104 E105 L151 V153 Y154 Y483 I485	G103-W107 PolarHBondContact O-NE1 3.01Å; T104-W107 PolarHBondContact O-N 2.96Å; E105-W107 PolarHBondContact O-N 3.27Å; E105-W107 VanDerWaalsContact O-N 3.17Å; W107-L151 HydrophobicContact CE3-CD1 4.25Å; W107-V153 HydrophobicContact CE3-CG1 4.41Å; W107-V153 HydrophobicContact CH2-CG1 4.28Å; W107-V153 HydrophobicContact CZ3-CG1 3.81Å; W107-Y154 HydrophobicContact CZ3-CE1 4.25Å; W107-Y483 HydrophobicContact CZ2-CD2 4.49Å; W107-Y483 HydrophobicContact CZ2-CE2 4.15Å; W107-I485 HydrophobicContact CH2-CD1 4.15Å; W107-I485 HydrophobicContact CZ3-CD1 4.21Å
108	N	98.6	Very high	97.5	Very high	25 Å²	25	52.4 Å²	52.4	13%	0.134	27%	0.273	C	S	.	.	S	Bend	trans	-77.7	157.8	177.9	-80.4	-30.9	0	0	0	112	V94 D95 E105 N110 L151	V94-N108 HydrophobicContact CG1-CB 4.26Å; D95-N108 PolarHBondContact N-OD1 3.04Å; D95-N108 PolarHBondContact O-ND2 2.83Å; E105-N108 PolarHBondContact O-N 3.37Å; E105-N108 VanDerWaalsContact O-N 3.14Å; N108-N110 PolarHBondContact O-N 3.01Å; N108-N110 VanDerWaalsContact O-N 3.09Å; N108-L151 WeakPolarHBondContact O-CD2 3.43Å
109	P	98.5	Very high	97.6	Very high	27 Å²	27	51.8 Å²	51.8	18%	0.175	27%	0.271	C	S	.	.			trans	-54.1	116.8	174	-27.1	36.5	0	0	0	112.6	A89 Q92 V94 R111 M113	A89-P109 HydrophobicContact CB-CB 3.86Å; A89-P109 HydrophobicContact CB-CG 4.42Å; Q92-P109 VanDerWaalsContact CD-CG 3.44Å; Q92-P109 HydrophobicContact CG-CG 3.72Å; V94-P109 HydrophobicContact CG2-CG 4.33Å; P109-R111 VanDerWaalsContact C-N 3.3Å; P109-M113 HydrophobicContact CB-CG 4.14Å; P109-M113 HydrophobicContact CG-CG 4.16Å; P109-M113 HydrophobicContact CG-SD 4.04Å
110	N	98.1	Very high	97.7	Very high	59 Å²	59	46.7 Å²	46.7	32%	0.316	24%	0.238	S	C	.	.	S	Bend	trans	-91.6	10.3	174.5	70.7	-11.2	0	0	0	113.4	N108 S150 D152	N108-N110 PolarHBondContact O-N 3.01Å; N108-N110 VanDerWaalsContact O-N 3.09Å; N110-S150 PolarHBondContact ND2-O 2.78Å; N110-S150 WeakPolarHBondContact OD1-CB 3.34Å; N110-S150 PolarHBondContact OD1-O 2.75Å; N110-S150 PolarHBondContact OD1-OG 3.28Å; N110-D152 PolarHBondContact ND2-OD1 3.34Å
111	R	98.4	Very high	97.9	Very high	115 Å²	115	43.7 Å²	43.7	43%	0.434	21%	0.207	S	C	.	.	S	Bend	trans	-135.1	164.3	175.6	-58.9	-63.6	165.8	-168.7	-4.8	108.8	P109 S150	P109-R111 VanDerWaalsContact C-N 3.3Å; R111-S150 WeakPolarHBondContact CG-OG 3.39Å
112	E	98.4	Very high	97.9	Very high	153 Å²	153	41.8 Å²	41.8	72%	0.715	20%	0.198	S	C	*	.			trans	-57.1	145.5	173.9	-65.4	-175.8	172.5	0	0	110.8	N88 A89	N88-E112 CarbonylContact C-O 3.58Å; N88-E112 VanDerWaalsContact CA-O 3.23Å; N88-E112 WeakPolarHBondContact CA-O 3.28Å; N88-E112 VanDerWaalsContact CB-O 3.24Å; N88-E112 WeakPolarHBondContact CB-O 3.37Å; A89-E112 PolarHBondContact N-O 3.12Å
113	M	98.8	Very high	98.1	Very high	51 Å²	51	35.4 Å²	35.4	25%	0.251	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.7	174.4	-69.9	-171.6	-68.8	0	0	110.5	A89 Y91 Q92 V94 P109	A89-M113 HydrophobicContact CB-CG 4.39Å; A89-M113 WeakPolarHBondContact O-CA 3.28Å; Y91-M113 HydrophobicContact CD1-CB 3.81Å; Y91-M113 HydrophobicContact CD1-CE 4.42Å; Y91-M113 HydrophobicContact CD1-SD 4.38Å; Y91-M113 HydrophobicContact CE1-CB 3.97Å; Y91-M113 HydrophobicContact CG-CB 4.24Å; Q92-M113 HydrophobicContact CG-SD 3.69Å; V94-M113 HydrophobicContact CG2-CE 3.7Å; V94-M113 HydrophobicContact CG2-SD 4.05Å; P109-M113 HydrophobicContact CB-CG 4.14Å; P109-M113 HydrophobicContact CG-CG 4.16Å; P109-M113 HydrophobicContact CG-SD 4.04Å
114	S	98.8	Very high	98.3	Very high	28 Å²	28	35.3 Å²	35.3	20%	0.196	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	156.4	175.1	-176.2	0	0	0	0	110.5	A89 Y91 D116 C117	A89-S114 PolarHBondContact O-N 2.89Å; Y91-S114 VanDerWaalsContact CD2-C 3.46Å; Y91-S114 PolarHBondContact N-O 3.07Å; S114-D116 VanDerWaalsContact C-N 3.28Å; S114-D116 PolarHBondContact OG-N 2.8Å; S114-D116 VanDerWaalsContact OG-N 3.08Å; S114-C117 WeakPolarHBondContact O-CB 3.45Å
115	E	98.8	Very high	98.1	Very high	21 Å²	21	35.6 Å²	35.6	10%	0.098	17%	0.17	C	C	.	.	S	Bend	trans	-74	-25	165.9	-72.7	-168.7	95.9	0	0	111.4	P62 L63 R67 Y91 C117 F177 P295	P62-E115 VanDerWaalsContact CD-O 3.22Å; P62-E115 WeakPolarHBondContact CD-O 3.41Å; P62-E115 WeakPolarHBondContact CG-O 3.2Å; L63-E115 HydrophobicContact CD2-CB 3.57Å; R67-E115 WeakPolarHBondContact CD-OE1 3.24Å; R67-E115 VanDerWaalsContact CG-OE1 3.3Å; R67-E115 WeakPolarHBondContact CG-OE1 3.47Å; R67-E115 IonicContact CZ-OE1 2.74Å; R67-E115 IonicContact CZ-OE2 3.38Å; R67-E115 VanDerWaalsContact NE-CD 3.32Å; R67-E115 IonicContact NE-OE1 2.68Å; R67-E115 PolarHBondContact NE-OE1 3.42Å; R67-E115 IonicContact NE-OE2 3.7Å; R67-E115 PolarHBondContact NE-OE2 3.39Å; R67-E115 IonicContact NH2-OE1 3.37Å; R67-E115 IonicContact NH2-OE2 3.69Å; R67-E115 PolarHBondContact NH2-OE2 3.27Å; Y91-E115 HydrophobicContact CD2-CB 4.5Å; Y91-E115 HydrophobicContact CD2-CG 3.75Å; Y91-E115 HydrophobicContact CE2-CG 4.28Å; E115-C117 PolarHBondContact O-N 2.73Å; E115-F177 HydrophobicContact CG-CD1 4.49Å; E115-P295 HydrophobicContact CG-CG 4.24Å
116	D	98.8	Very high	97.4	Very high	42 Å²	42	32.5 Å²	32.5	23%	0.225	16%	0.16	C	C	.	.			trans	-77.6	78.1	165.6	-172.7	5.8	0	0	0	109.2	P61 S114 Y119	P61-D116 HydrophobicContact CB-CB 4.04Å; S114-D116 VanDerWaalsContact C-N 3.28Å; S114-D116 PolarHBondContact OG-N 2.8Å; S114-D116 VanDerWaalsContact OG-N 3.08Å; D116-Y119 VanDerWaalsContact OD1-CE2 3.26Å; D116-Y119 WeakPolarHBondContact OD1-CE2 3.43Å; D116-Y119 PolarHBondContact OD1-OH 3.49Å; D116-Y119 PolarHBondContact OD2-OH 2.86Å
117	C	98.9	Very high	95.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.			trans	-128	1.4	-174.9	68.2	0	0	0	0	114.5	C90 S114 E115 Y119 N171	C90-C117 WeakPolarHBondContact CA-SG 3.43Å; C90-C117 HydrophobicContact CB-CB 3.86Å; C90-C117 WeakPolarHBondContact CB-SG 3.49Å; C90-C117 WeakPolarHBondContact SG-CB 3.48Å; C90-C117 CovalentContact SG-SG 2.05Å; C90-C117 PolarHBondContact SG-SG 2.71Å; S114-C117 WeakPolarHBondContact O-CB 3.45Å; E115-C117 PolarHBondContact O-N 2.73Å; C117-Y119 VanDerWaalsContact C-N 3.33Å; C117-Y119 PolarHBondContact O-N 3.41Å; C117-N171 WeakPolarHBondContact O-CB 3.38Å; C117-N171 PolarHBondContact O-ND2 2.96Å
118	L	98.9	Very high	94.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.198	C	C	.	.			trans	-82.2	73.5	-173.6	-62.2	-174.9	0	0	0	113.3	F58 A59 P62 P71 R173 D196	F58-L118 WeakPolarHBondContact CD1-O 3.5Å; F58-L118 HydrophobicContact CE1-CB 4.25Å; F58-L118 HydrophobicContact CE2-CB 4.1Å; F58-L118 HydrophobicContact CZ-CB 3.83Å; F58-L118 HydrophobicContact CZ-CD2 4.04Å; F58-L118 HydrophobicContact CZ-CG 4.45Å; F58-L118 PolarHBondContact N-O 2.69Å; A59-L118 HydrophobicContact CB-CB 3.76Å; A59-L118 HydrophobicContact CB-CD1 3.55Å; A59-L118 HydrophobicContact CB-CG 4.31Å; P62-L118 HydrophobicContact CG-CD1 3.97Å; P62-L118 HydrophobicContact CG-CG 4.24Å; P71-L118 HydrophobicContact CB-CD1 4.24Å; L118-R173 HydrophobicContact CD2-CG 4.21Å; L118-D196 HydrophobicContact CD2-CB 3.93Å; L118-D196 WeakPolarHBondContact CD2-OD2 3.26Å
119	Y	98.9	Very high	93.4	Very high	40 Å²	40	37.8 Å²	37.8	16%	0.157	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	158.6	-177.8	-61.5	-95.8	0	0	0	111.7	G55 I56 P57 F58 P87 D116 C117 N171	G55-Y119 VanDerWaalsContact O-CD1 3.29Å; G55-Y119 WeakPolarHBondContact O-CD1 3.47Å; I56-Y119 CarbonylContact O-C 3.49Å; I56-Y119 VanDerWaalsContact O-CA 3.27Å; I56-Y119 WeakPolarHBondContact O-CA 3.25Å; P57-Y119 HydrophobicContact CB-CD1 3.8Å; P57-Y119 HydrophobicContact CB-CE1 3.6Å; P57-Y119 HydrophobicContact CG-CD1 4.44Å; P57-Y119 HydrophobicContact CG-CE1 4.17Å; F58-Y119 WeakPolarHBondContact CE1-O 3.29Å; P87-Y119 VanDerWaalsContact CB-CB 3.49Å; P87-Y119 HydrophobicContact CB-CD1 4.25Å; P87-Y119 HydrophobicContact CB-CD2 3.6Å; P87-Y119 HydrophobicContact CB-CE2 4.46Å; P87-Y119 HydrophobicContact CB-CG 3.53Å; P87-Y119 HydrophobicContact CG-CG 4.24Å; D116-Y119 VanDerWaalsContact OD1-CE2 3.26Å; D116-Y119 WeakPolarHBondContact OD1-CE2 3.43Å; D116-Y119 PolarHBondContact OD1-OH 3.49Å; D116-Y119 PolarHBondContact OD2-OH 2.86Å; C117-Y119 VanDerWaalsContact C-N 3.33Å; C117-Y119 PolarHBondContact O-N 3.41Å; Y119-N171 PolarHBondContact O-N 3.11Å
120	L	98.9	Very high	92.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	157.4	171.4	60.4	81.8	0	0	0	111.6	G55 I56 F58 I122 V168 S169 M170 A200 W203	G55-L120 PolarHBondContact N-O 2.9Å; I56-L120 HydrophobicContact CB-CD1 3.94Å; I56-L120 HydrophobicContact CB-CG 4.43Å; I56-L120 HydrophobicContact CD1-CD1 4.15Å; I56-L120 HydrophobicContact CG1-CD1 4.44Å; I56-L120 PolarHBondContact N-O 3.02Å; I56-L120 PolarHBondContact O-N 3.49Å; F58-L120 HydrophobicContact CB-CD2 3.99Å; F58-L120 HydrophobicContact CD1-CB 4.19Å; F58-L120 HydrophobicContact CD1-CD2 4.03Å; F58-L120 HydrophobicContact CD1-CG 4.22Å; F58-L120 HydrophobicContact CG-CD2 4.36Å; L120-I122 HydrophobicContact CD1-CD1 3.83Å; L120-I122 HydrophobicContact CD1-CG1 3.7Å; L120-V168 HydrophobicContact CB-CG1 4.37Å; L120-V168 HydrophobicContact CD1-CG1 4.38Å; L120-S169 CarbonylContact C-O 3.52Å; L120-S169 WeakPolarHBondContact CA-O 3.25Å; L120-S169 VanDerWaalsContact CB-O 3.26Å; L120-S169 WeakPolarHBondContact CB-O 3.41Å; L120-M170 HydrophobicContact CB-CB 4.24Å; L120-A200 HydrophobicContact CD2-CB 4.43Å; L120-W203 HydrophobicContact CD1-CE3 4.1Å; L120-W203 HydrophobicContact CD1-CH2 4.18Å; L120-W203 HydrophobicContact CD1-CZ3 3.79Å; L120-W203 HydrophobicContact CD2-CB 4.49Å; L120-W203 HydrophobicContact CD2-CD2 3.9Å; L120-W203 HydrophobicContact CD2-CE3 3.53Å; L120-W203 HydrophobicContact CD2-CG 4.31Å; L120-W203 HydrophobicContact CD2-CZ3 4.1Å; L120-W203 HydrophobicContact CG-CE3 4.43Å
121	N	98.9	Very high	91.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146	178.4	-48.4	-67.3	0	0	0	109.2	F53 L54 G55 P87 W123 S149 V168 S169	F53-N121 CarbonylContact O-C 3.58Å; F53-N121 VanDerWaalsContact O-CA 3.32Å; F53-N121 WeakPolarHBondContact O-CA 3.28Å; L54-N121 WeakPolarHBondContact CA-OD1 3.46Å; L54-N121 HydrophobicContact CD2-CB 3.87Å; G55-N121 PolarHBondContact N-OD1 2.95Å; P87-N121 WeakPolarHBondContact CD-OD1 3.23Å; N121-W123 HydrophobicContact CB-CH2 3.57Å; N121-W123 HydrophobicContact CB-CZ2 4.31Å; N121-W123 HydrophobicContact CB-CZ3 3.68Å; N121-S149 PolarHBondContact ND2-OG 3.05Å; N121-S149 VanDerWaalsContact ND2-OG 3.12Å; N121-V168 CarbonylContact O-C 3.27Å; N121-V168 WeakPolarHBondContact O-CA 3.2Å; N121-V168 WeakPolarHBondContact O-CG1 3.34Å; N121-S169 PolarHBondContact N-O 3.19Å; N121-S169 PolarHBondContact ND2-OG 2.83Å; N121-S169 VanDerWaalsContact ND2-OG 3.11Å; N121-S169 PolarHBondContact O-N 3.11Å
122	I	98.8	Very high	91.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.3	-178.4	-49.7	179.7	0	0	0	109.8	A52 F53 I56 L120 V124 I166 V167 V168 W203 I208 F211	A52-I122 CarbonylContact C-O 3.6Å; A52-I122 VanDerWaalsContact CA-O 3.25Å; A52-I122 WeakPolarHBondContact CA-O 3.31Å; F53-I122 HydrophobicContact CB-CB 4.31Å; F53-I122 HydrophobicContact CD2-CB 4.42Å; F53-I122 PolarHBondContact N-O 3.43Å; F53-I122 PolarHBondContact O-N 3.01Å; I56-I122 HydrophobicContact CD1-CD1 3.75Å; I56-I122 HydrophobicContact CD1-CG1 4.22Å; L120-I122 HydrophobicContact CD1-CD1 3.83Å; L120-I122 HydrophobicContact CD1-CG1 3.7Å; I122-V124 HydrophobicContact CG2-CG2 3.88Å; I122-I166 HydrophobicContact CG2-CG2 3.66Å; I122-V167 CarbonylContact C-O 3.55Å; I122-V167 WeakPolarHBondContact CA-O 3.15Å; I122-V168 HydrophobicContact CG1-CG1 4.42Å; I122-V168 HydrophobicContact CG1-CG2 4.26Å; I122-V168 HydrophobicContact CG2-CG2 4.31Å; I122-W203 HydrophobicContact CD1-CH2 3.9Å; I122-W203 HydrophobicContact CD1-CZ3 3.75Å; I122-I208 HydrophobicContact CD1-CD1 4.18Å; I122-I208 HydrophobicContact CG2-CD1 4.32Å; I122-F211 HydrophobicContact CD1-CD1 4.05Å; I122-F211 HydrophobicContact CD1-CD2 4.12Å; I122-F211 HydrophobicContact CD1-CE1 3.87Å; I122-F211 HydrophobicContact CD1-CE2 3.94Å; I122-F211 HydrophobicContact CD1-CG 4.18Å; I122-F211 HydrophobicContact CD1-CZ 3.81Å; I122-F211 HydrophobicContact CG2-CD1 4.35Å
123	W	98.3	Very high	91.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.1	170	-63.1	-101.7	0	0	0	109.8	A52 L54 Y86 N121 D155 A160 I166 V167 S169	A52-W123 HydrophobicContact CB-CG 4.4Å; L54-W123 HydrophobicContact CD2-CH2 4.48Å; L54-W123 HydrophobicContact CD2-CZ2 3.9Å; Y86-W123 HydrophobicContact CE1-CH2 4.2Å; Y86-W123 AromaticContact CE1-CZ2 3.96Å; Y86-W123 HydrophobicContact CE1-CZ2 3.96Å; Y86-W123 WeakPolarHBondContact OH-CZ2 3.36Å; N121-W123 HydrophobicContact CB-CH2 3.57Å; N121-W123 HydrophobicContact CB-CZ2 4.31Å; N121-W123 HydrophobicContact CB-CZ3 3.68Å; W123-D155 PolarHBondContact NE1-OD1 3.04Å; W123-A160 HydrophobicContact CB-CB 3.8Å; W123-I166 WeakPolarHBondContact O-CA 3.32Å; W123-V167 HydrophobicContact CE3-CB 4.3Å; W123-V167 HydrophobicContact CE3-CG1 4.22Å; W123-V167 PolarHBondContact N-O 3.42Å; W123-V167 PolarHBondContact O-N 3.45Å; W123-S169 WeakPolarHBondContact CZ3-OG 3.37Å
124	V	96.3	Very high	91.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.2	-178.3	-174.3	0	0	0	0	109.3	V50 T51 F53 I122 R129 I166 F211	V50-V124 WeakPolarHBondContact CA-O 3.48Å; V50-V124 WeakPolarHBondContact CB-O 3.47Å; T51-V124 PolarHBondContact N-O 2.99Å; T51-V124 PolarHBondContact O-N 3.2Å; F53-V124 HydrophobicContact CD2-CG2 4.25Å; F53-V124 HydrophobicContact CE2-CG2 3.92Å; I122-V124 HydrophobicContact CG2-CG2 3.88Å; V124-R129 HydrophobicContact CG1-CG 3.99Å; V124-I166 HydrophobicContact CG2-CD1 4.45Å; V124-F211 WeakPolarHBondContact CG1-O 3.48Å; V124-F211 HydrophobicContact CG2-CB 4.16Å; V124-F211 HydrophobicContact CG2-CD1 4.43Å
125	P	92.1	Very high	91.4	Very high	8 Å²	8	32.4 Å²	32.4	5%	0.052	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	152.7	175	-24.4	33.9	0	0	0	112.9	L133 T164 V165	P125-L133 HydrophobicContact CG-CD1 3.83Å; P125-T164 HydrophobicContact CB-CG2 4.38Å; P125-T164 HydrophobicContact CG-CG2 4.24Å; P125-V165 WeakPolarHBondContact CD-O 3.5Å
126	A	81.6	Confident	91.4	Very high	28 Å²	28	31.4 Å²	31.4	23%	0.231	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-56.4	161.3	-176.8	0	0	0	0	0	114.2	Y49	Y49-A126 HydrophobicContact CD2-CB 4.37Å; Y49-A126 HydrophobicContact CE2-CB 4.2Å; Y49-A126 WeakPolarHBondContact O-CB 3.34Å
127	S	66	Low	91.5	Very high	52 Å²	52	29.4 Å²	29.4	36%	0.364	16%	0.164	S	C	.	.	S	Bend	trans	-71.7	150	179.4	-75.6	0	0	0	0	114.1
128	P	71.3	Confident	91.5	Very high	123 Å²	123	29.4 Å²	29.4	80%	0.799	16%	0.164	S	C	*	.	S	Bend	cis	-68.1	130	2	28.1	-33.8	0	0	0	111.5	P130	P128-P130 WeakPolarHBondContact O-CD 3.14Å; P128-P130 VanDerWaalsContact O-N 3.09Å
129	R	73.7	Confident	91.5	Very high	45 Å²	45	29.4 Å²	29.4	17%	0.17	16%	0.164	C	C	.	.			trans	-58.9	114.3	-171.2	-172.7	-176.4	-68.1	-174	-2.1	109.3	G27 V30 V124 S210	G27-R129 PolarHBondContact O-NH2 2.86Å; V30-R129 VanDerWaalsContact CG2-NH2 3.34Å; V124-R129 HydrophobicContact CG1-CG 3.99Å; R129-S210 PolarHBondContact NH1-O 3.35Å
130	P	77.4	Confident	91.5	Very high	39 Å²	39	27.5 Å²	27.5	25%	0.253	16%	0.156	S	C	.	.			trans	-66.6	144.4	178	-16.8	30.2	0	0	0	109.9	P128 L133 T164	P128-P130 WeakPolarHBondContact O-CD 3.14Å; P128-P130 VanDerWaalsContact O-N 3.09Å; P130-L133 HydrophobicContact CB-CD1 3.92Å; P130-L133 HydrophobicContact CB-CD2 3.76Å; P130-L133 HydrophobicContact CB-CG 3.9Å; P130-L133 HydrophobicContact CG-CD1 4.2Å; P130-T164 HydrophobicContact CG-CG2 4.25Å
131	H	86.7	Confident	91.5	Very high	150 Å²	150	27.5 Å²	27.5	69%	0.694	16%	0.157	S	C	*	.	S	Bend	trans	-101	158.9	176.3	-66.1	-75.4	0	0	0	111	L133 G212	H131-L133 VanDerWaalsContact C-N 3.27Å; H131-L133 PolarHBondContact O-N 3.1Å; H131-G212 CarbonylContact C-O 3.37Å
132	N	93	Very high	91.4	Very high	103 Å²	103	28.6 Å²	28.6	55%	0.551	17%	0.167	S	C	*	.	S	Bend	trans	60.7	33.9	175.6	-161.7	51.9	0	0	0	113.4	G212 N214	N132-G212 PolarHBondContact N-O 2.6Å; N132-N214 VanDerWaalsContact OD1-CB 3.3Å; N132-N214 WeakPolarHBondContact OD1-CB 3.32Å; N132-N214 PolarHBondContact OD1-ND2 3.35Å
133	L	96.4	Very high	91.4	Very high	21 Å²	21	28.7 Å²	28.7	11%	0.11	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	147.4	178.3	-67.9	-175.7	0	0	0	112.1	P125 P130 H131 T164 I166 G212 G213 N214	P125-L133 HydrophobicContact CG-CD1 3.83Å; P130-L133 HydrophobicContact CB-CD1 3.92Å; P130-L133 HydrophobicContact CB-CD2 3.76Å; P130-L133 HydrophobicContact CB-CG 3.9Å; P130-L133 HydrophobicContact CG-CD1 4.2Å; H131-L133 VanDerWaalsContact C-N 3.27Å; H131-L133 PolarHBondContact O-N 3.1Å; L133-T164 HydrophobicContact CD2-CG2 4.12Å; L133-I166 HydrophobicContact CB-CD1 4.44Å; L133-I166 HydrophobicContact CB-CG1 4.16Å; L133-I166 HydrophobicContact CD1-CG1 4.03Å; L133-G212 PolarHBondContact N-O 3.28Å; L133-G213 CarbonylContact O-C 3.52Å; L133-N214 WeakPolarHBondContact O-CB 3.49Å; L133-N214 PolarHBondContact O-N 3.22Å
134	S	97.7	Very high	91.4	Very high	8 Å²	8	28.7 Å²	28.7	6%	0.056	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	142	167.4	-61.7	0	0	0	0	110.6	I166 R519	S134-I166 PolarHBondContact O-N 2.8Å; S134-R519 WeakPolarHBondContact OG-CA 3.29Å; S134-R519 WeakPolarHBondContact OG-CG 3.14Å
135	V	98.9	Very high	91.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.9	-175.8	-177.1	0	0	0	0	108.3	V137 I166 V168 V204 I208 Q217 V218 T219	V135-V137 HydrophobicContact CG1-CG2 3.99Å; V135-I166 CarbonylContact C-O 3.55Å; V135-I166 WeakPolarHBondContact CA-O 2.95Å; V135-I166 HydrophobicContact CG1-CG2 4.48Å; V135-I166 HydrophobicContact CG2-CB 4.38Å; V135-V168 HydrophobicContact CG1-CG2 3.98Å; V135-V204 HydrophobicContact CG1-CG1 4.18Å; V135-I208 HydrophobicContact CB-CG1 4.47Å; V135-I208 HydrophobicContact CG1-CD1 4.38Å; V135-I208 HydrophobicContact CG1-CG1 3.93Å; V135-I208 HydrophobicContact CG2-CG1 3.67Å; V135-I208 HydrophobicContact CG2-CG2 4.1Å; V135-Q217 PolarHBondContact N-O 2.95Å; V135-V218 HydrophobicContact CB-CG2 4.08Å; V135-V218 HydrophobicContact CG1-CG2 4.48Å; V135-V218 CarbonylContact O-C 3.5Å; V135-V218 WeakPolarHBondContact O-CA 3.18Å; V135-T219 PolarHBondContact O-N 3.05Å
136	M	98.9	Very high	91.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.3	174.7	-66.5	179.8	65.6	0	0	109.1	L159 V165 I166 V167 V168 T219 F221 I247 W514 A518	M136-L159 HydrophobicContact CE-CD2 4.01Å; M136-L159 HydrophobicContact SD-CD2 4.18Å; M136-V165 HydrophobicContact SD-CG2 4.19Å; M136-I166 PolarHBondContact N-O 3.32Å; M136-V167 CarbonylContact O-C 3.51Å; M136-V167 WeakPolarHBondContact O-CA 3.41Å; M136-V168 PolarHBondContact O-N 3.24Å; M136-T219 CarbonylContact C-O 3.56Å; M136-T219 VanDerWaalsContact CA-O 3.3Å; M136-T219 WeakPolarHBondContact CA-O 3.46Å; M136-F221 HydrophobicContact CB-CD1 4.19Å; M136-F221 HydrophobicContact CB-CE1 3.82Å; M136-F221 HydrophobicContact CE-CD1 4.36Å; M136-F221 HydrophobicContact CE-CD2 4.39Å; M136-F221 HydrophobicContact CE-CE1 4.3Å; M136-F221 HydrophobicContact CE-CE2 4.31Å; M136-F221 HydrophobicContact CE-CG 4.44Å; M136-F221 HydrophobicContact CE-CZ 4.28Å; M136-I247 HydrophobicContact CE-CD1 4.49Å; M136-W514 HydrophobicContact CE-CB 4Å; M136-A518 HydrophobicContact CG-CB 3.71Å; M136-A518 HydrophobicContact SD-CB 3.91Å
137	V	99	Very high	92.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	110.4	-175.1	-172.2	0	0	0	0	109.9	V135 V168 M170 L201 V204 V218 T219 I220 F221	V135-V137 HydrophobicContact CG1-CG2 3.99Å; V137-V168 CarbonylContact C-O 3.55Å; V137-V168 WeakPolarHBondContact CA-O 3.43Å; V137-V168 HydrophobicContact CB-CB 4.43Å; V137-V168 HydrophobicContact CG1-CB 4.19Å; V137-V168 HydrophobicContact CG1-CG1 4.22Å; V137-V168 HydrophobicContact CG2-CB 4.14Å; V137-V168 HydrophobicContact CG2-CG2 4.47Å; V137-M170 HydrophobicContact CG1-CE 3.31Å; V137-L201 HydrophobicContact CB-CD2 4.31Å; V137-L201 HydrophobicContact CG1-CD2 3.95Å; V137-V204 HydrophobicContact CG2-CG1 4.24Å; V137-V204 HydrophobicContact CG2-CG2 4.4Å; V137-V218 HydrophobicContact CG2-CG1 3.8Å; V137-T219 PolarHBondContact N-O 2.73Å; V137-I220 HydrophobicContact CB-CG2 4.29Å; V137-I220 WeakPolarHBondContact O-CA 3.36Å; V137-F221 VanDerWaalsContact C-CD1 3.46Å; V137-F221 VanDerWaalsContact O-CD1 3.3Å; V137-F221 WeakPolarHBondContact O-CD1 3.25Å; V137-F221 PolarHBondContact O-N 3.1Å
138	W	99	Very high	94.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.5	-179.3	179.3	-117.6	0	0	0	111.7	Y154 V168 M170 F221 E223 I485 F489	W138-Y154 AromaticContact CE2-CD1 3.76Å; W138-Y154 AromaticContact CE2-CE1 3.89Å; W138-Y154 AromaticContact CZ2-CD1 3.74Å; W138-Y154 HydrophobicContact CZ2-CD1 3.74Å; W138-Y154 AromaticContact CZ2-CE1 3.47Å; W138-Y154 HydrophobicContact CZ2-CE1 3.47Å; W138-Y154 VanDerWaalsContact CZ2-CE1 3.47Å; W138-Y154 HydrophobicContact CZ2-CG 4.49Å; W138-Y154 AromaticContact CZ2-CZ 3.99Å; W138-Y154 AromaticContact NE1-CD1 3.45Å; W138-Y154 AromaticContact NE1-CD2 3.45Å; W138-Y154 AromaticContact NE1-CE1 3.77Å; W138-Y154 AromaticContact NE1-CE2 3.74Å; W138-Y154 AromaticContact NE1-CG 3.32Å; W138-Y154 VanDerWaalsContact NE1-CG 3.32Å; W138-Y154 AromaticContact NE1-CZ 3.91Å; W138-V168 PolarHBondContact N-O 2.94Å; W138-M170 PolarHBondContact O-N 3.31Å; W138-F221 CarbonylContact C-O 3.56Å; W138-F221 VanDerWaalsContact CA-O 3.3Å; W138-F221 WeakPolarHBondContact CA-O 3.46Å; W138-F221 HydrophobicContact CB-CD1 4.38Å; W138-F221 HydrophobicContact CB-CE1 3.69Å; W138-F221 HydrophobicContact CB-CZ 3.83Å; W138-F221 HydrophobicContact CD2-CE2 4.3Å; W138-F221 HydrophobicContact CD2-CZ 4.32Å; W138-F221 HydrophobicContact CE3-CD1 4.24Å; W138-F221 AromaticContact CE3-CD2 3.43Å; W138-F221 HydrophobicContact CE3-CD2 3.43Å; W138-F221 VanDerWaalsContact CE3-CD2 3.43Å; W138-F221 HydrophobicContact CE3-CE1 4.17Å; W138-F221 AromaticContact CE3-CE2 3.35Å; W138-F221 HydrophobicContact CE3-CE2 3.35Å; W138-F221 AromaticContact CE3-CG 3.87Å; W138-F221 HydrophobicContact CE3-CG 3.87Å; W138-F221 AromaticContact CE3-CZ 3.74Å; W138-F221 HydrophobicContact CE3-CZ 3.74Å; W138-F221 HydrophobicContact CG-CZ 4.42Å; W138-F221 AromaticContact CZ3-CD2 3.68Å; W138-F221 HydrophobicContact CZ3-CD2 3.68Å; W138-F221 AromaticContact CZ3-CE2 3.82Å; W138-F221 HydrophobicContact CZ3-CE2 3.82Å; W138-F221 HydrophobicContact CZ3-CG 4.38Å; W138-F221 VanDerWaalsContact N-CE1 3.34Å; W138-E223 HydrophobicContact CH2-CB 3.6Å; W138-E223 HydrophobicContact CZ2-CB 4.35Å; W138-E223 HydrophobicContact CZ3-CB 4.41Å; W138-I485 HydrophobicContact CH2-CD1 4.1Å; W138-I485 HydrophobicContact CH2-CG1 4.18Å; W138-I485 HydrophobicContact CH2-CG2 4.1Å; W138-I485 HydrophobicContact CZ2-CD1 4.18Å; W138-I485 HydrophobicContact CZ2-CG2 4.19Å; W138-F489 HydrophobicContact CB-CZ 4.14Å; W138-F489 AromaticContact CD2-CE2 3.92Å; W138-F489 HydrophobicContact CD2-CE2 3.92Å; W138-F489 AromaticContact CD2-CZ 3.61Å; W138-F489 HydrophobicContact CD2-CZ 3.61Å; W138-F489 AromaticContact CE3-CE2 3.88Å; W138-F489 HydrophobicContact CE3-CE2 3.88Å; W138-F489 AromaticContact CE3-CZ 3.89Å; W138-F489 HydrophobicContact CE3-CZ 3.89Å; W138-F489 HydrophobicContact CG-CE2 4.5Å; W138-F489 AromaticContact CG-CZ 3.73Å; W138-F489 HydrophobicContact CG-CZ 3.73Å; W138-F489 HydrophobicContact CH2-CE2 4.15Å; W138-F489 HydrophobicContact CZ2-CE2 4.24Å; W138-F489 AromaticContact CZ3-CE2 3.98Å; W138-F489 HydrophobicContact CZ3-CE2 3.98Å; W138-F489 HydrophobicContact CZ3-CZ 4.46Å
139	I	99	Very high	95.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	114.2	170.3	-51.2	178.7	0	0	0	106.9	M170 Y172 Q197 F221 G222 G226 V230	I139-M170 HydrophobicContact CG1-SD 4.49Å; I139-Y172 HydrophobicContact CG2-CD1 4.28Å; I139-Y172 HydrophobicContact CG2-CE1 3.84Å; I139-Q197 HydrophobicContact CG2-CG 4.31Å; I139-F221 PolarHBondContact N-O 3.25Å; I139-G222 WeakPolarHBondContact O-CA 3.08Å; I139-G226 WeakPolarHBondContact O-CA 3.27Å; I139-V230 HydrophobicContact CD1-CG2 4.07Å
140	Y	98.9	Very high	96.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.			trans	-72.8	155.7	-176.4	59.4	-111.9	0	0	0	113.2	S148 M170 Y172 I174 G226	Y140-S148 VanDerWaalsContact CD1-C 3.46Å; Y140-M170 WeakPolarHBondContact CD1-O 3.25Å; Y140-M170 VanDerWaalsContact CE1-O 3.27Å; Y140-M170 WeakPolarHBondContact CE1-O 3.26Å; Y140-Y172 HydrophobicContact CD1-CE1 4.29Å; Y140-Y172 HydrophobicContact CD2-CD1 4.41Å; Y140-Y172 AromaticContact CD2-CE1 3.5Å; Y140-Y172 HydrophobicContact CD2-CE1 3.5Å; Y140-Y172 AromaticContact CD2-CZ 3.87Å; Y140-Y172 HydrophobicContact CE1-CD1 4.11Å; Y140-Y172 HydrophobicContact CE1-CE1 4.1Å; Y140-Y172 AromaticContact CE2-CD1 3.84Å; Y140-Y172 HydrophobicContact CE2-CD1 3.84Å; Y140-Y172 AromaticContact CE2-CE1 3.22Å; Y140-Y172 HydrophobicContact CE2-CE1 3.22Å; Y140-Y172 HydrophobicContact CE2-CE2 4.33Å; Y140-Y172 AromaticContact CE2-CZ 3.5Å; Y140-Y172 HydrophobicContact CG-CE1 4.02Å; Y140-Y172 AromaticContact CZ-CD1 3.64Å; Y140-Y172 AromaticContact CZ-CE1 3.54Å; Y140-Y172 WeakPolarHBondContact O-CE1 3.17Å; Y140-Y172 PolarHBondContact O-OH 2.94Å; Y140-Y172 PolarHBondContact OH-N 2.77Å; Y140-Y172 VanDerWaalsContact OH-N 3.14Å; Y140-Y172 PolarHBondContact OH-O 2.67Å; Y140-I174 HydrophobicContact CE2-CG2 4.32Å; Y140-G226 WeakPolarHBondContact O-CA 3.33Å; Y140-G226 PolarHBondContact O-N 3.11Å
141	G	98.9	Very high	97.8	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.01	10%	0.096	C	C	.	.			trans	-81	-145.2	175	0	0	0	0	0	114.9	S146 E223	G141-S146 VanDerWaalsContact O-O 3.1Å; G141-E223 WeakPolarHBondContact CA-O 3.28Å; G141-E223 PolarHBondContact N-O 2.89Å
142	G	98.5	Very high	98.3	Very high	22 Å²	22	15.7 Å²	15.7	23%	0.227	9%	0.091	C	C	.	.	S	Bend	trans	97.2	31.2	179.9	0	0	0	0	0	115	F144 Y145 S146	G142-F144 PolarHBondContact O-N 3.24Å; G142-Y145 VanDerWaalsContact O-CD1 3.23Å; G142-Y145 WeakPolarHBondContact O-CD1 3.06Å; G142-Y145 WeakPolarHBondContact O-CE1 3.33Å; G142-Y145 PolarHBondContact O-N 2.84Å; G142-S146 WeakPolarHBondContact CA-OG 3.39Å; G142-S146 PolarHBondContact O-N 3.02Å; G142-S146 PolarHBondContact O-OG 3.18Å
143	G	98.3	Very high	98.6	Very high	3 Å²	3	11 Å²	11	3%	0.031	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	20	171.9	0	0	0	0	0	115.5	Y145 F314	G143-Y145 PolarHBondContact O-N 2.71Å; G143-F314 VanDerWaalsContact CA-CE2 3.46Å; G143-F314 VanDerWaalsContact O-CB 3.24Å; G143-F314 WeakPolarHBondContact O-CB 3.2Å; G143-F314 WeakPolarHBondContact O-CD2 3.37Å; G143-F314 WeakPolarHBondContact O-CG 3.34Å
144	F	98.9	Very high	98.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	4.8	-169.7	-55	-71	0	0	0	115.9	G142 Y172 I174 G175 F179 A225 A228 F232 W257 A258 V317 P318	G142-F144 PolarHBondContact O-N 3.24Å; F144-Y172 HydrophobicContact CD1-CE2 4.31Å; F144-I174 CarbonylContact O-C 3.5Å; F144-I174 WeakPolarHBondContact O-CA 3.4Å; F144-I174 WeakPolarHBondContact O-CB 3.3Å; F144-I174 WeakPolarHBondContact O-CG2 3.4Å; F144-G175 PolarHBondContact O-N 3.06Å; F144-F179 HydrophobicContact CB-CD2 4.02Å; F144-F179 HydrophobicContact CB-CE2 3.74Å; F144-F179 HydrophobicContact CB-CZ 4.28Å; F144-F179 HydrophobicContact CD1-CE1 4.35Å; F144-F179 AromaticContact CD1-CE2 3.89Å; F144-F179 HydrophobicContact CD1-CE2 3.89Å; F144-F179 AromaticContact CD1-CZ 3.62Å; F144-F179 HydrophobicContact CD1-CZ 3.62Å; F144-F179 HydrophobicContact CE1-CZ 4.33Å; F144-F179 HydrophobicContact CG-CE2 4.2Å; F144-F179 HydrophobicContact CG-CZ 4.24Å; F144-A225 HydrophobicContact CD1-CB 3.93Å; F144-A225 HydrophobicContact CD2-CB 3.94Å; F144-A225 HydrophobicContact CE1-CB 3.86Å; F144-A225 WeakPolarHBondContact CE1-O 3.1Å; F144-A225 HydrophobicContact CE2-CB 3.88Å; F144-A225 HydrophobicContact CG-CB 3.97Å; F144-A225 HydrophobicContact CZ-CB 3.84Å; F144-A225 WeakPolarHBondContact CZ-O 3.14Å; F144-A228 HydrophobicContact CE2-CB 4.47Å; F144-A228 HydrophobicContact CZ-CB 4.05Å; F144-F232 HydrophobicContact CE2-CE2 4.43Å; F144-F232 HydrophobicContact CZ-CD2 4.41Å; F144-F232 AromaticContact CZ-CE2 3.9Å; F144-F232 HydrophobicContact CZ-CE2 3.9Å; F144-W257 HydrophobicContact CD2-CZ3 4.32Å; F144-W257 HydrophobicContact CE2-CE3 4.29Å; F144-W257 AromaticContact CE2-CZ3 3.77Å; F144-W257 HydrophobicContact CE2-CZ3 3.77Å; F144-A258 HydrophobicContact CE2-CB 4.35Å; F144-V317 HydrophobicContact CB-CG1 4.36Å; F144-V317 HydrophobicContact CD2-CB 4.1Å; F144-V317 HydrophobicContact CD2-CG1 3.99Å; F144-P318 HydrophobicContact CD1-CG 4.46Å; F144-P318 HydrophobicContact CE1-CG 4.12Å; F144-P318 HydrophobicContact CE2-CG 4.17Å; F144-P318 HydrophobicContact CZ-CG 3.97Å
145	Y	98.8	Very high	98.7	Very high	34 Å²	34	10.5 Å²	10.5	13%	0.133	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-17.7	179.4	75.1	-92.4	0	0	0	113.4	Q92 Y93 G142 G143 W303 F314	Q92-Y145 WeakPolarHBondContact CB-O 3.42Å; Y93-Y145 HydrophobicContact CD1-CE2 4.1Å; G142-Y145 VanDerWaalsContact O-CD1 3.23Å; G142-Y145 WeakPolarHBondContact O-CD1 3.06Å; G142-Y145 WeakPolarHBondContact O-CE1 3.33Å; G142-Y145 PolarHBondContact O-N 2.84Å; G143-Y145 PolarHBondContact O-N 2.71Å; Y145-W303 AromaticContact CD1-CH2 3.75Å; Y145-W303 HydrophobicContact CD1-CH2 3.75Å; Y145-W303 HydrophobicContact CD1-CZ2 4.15Å; Y145-W303 HydrophobicContact CD2-CH2 4.02Å; Y145-W303 AromaticContact CD2-CZ2 3.53Å; Y145-W303 HydrophobicContact CD2-CZ2 3.53Å; Y145-W303 AromaticContact CE1-CH2 3.7Å; Y145-W303 HydrophobicContact CE1-CH2 3.7Å; Y145-W303 HydrophobicContact CE1-CZ2 4.16Å; Y145-W303 AromaticContact CE2-CH2 3.97Å; Y145-W303 HydrophobicContact CE2-CH2 3.97Å; Y145-W303 AromaticContact CE2-CZ2 3.54Å; Y145-W303 HydrophobicContact CE2-CZ2 3.54Å; Y145-W303 AromaticContact CG-CH2 3.92Å; Y145-W303 HydrophobicContact CG-CH2 3.92Å; Y145-W303 AromaticContact CG-CZ2 3.85Å; Y145-W303 HydrophobicContact CG-CZ2 3.85Å; Y145-W303 AromaticContact CZ-CH2 3.8Å; Y145-W303 AromaticContact CZ-CZ2 3.86Å; Y145-F314 HydrophobicContact CD1-CB 4.26Å; Y145-F314 AromaticContact CD1-CD1 3.52Å; Y145-F314 HydrophobicContact CD1-CD1 3.52Å; Y145-F314 HydrophobicContact CD1-CE1 4.1Å; Y145-F314 HydrophobicContact CD1-CG 4.01Å; Y145-F314 AromaticContact CE1-CD1 3.49Å; Y145-F314 HydrophobicContact CE1-CD1 3.49Å; Y145-F314 VanDerWaalsContact CE1-CD1 3.49Å; Y145-F314 AromaticContact CE1-CE1 3.61Å; Y145-F314 HydrophobicContact CE1-CE1 3.61Å; Y145-F314 HydrophobicContact CE1-CG 4.37Å
146	S	98.8	Very high	98.7	Very high	19 Å²	19	10.5 Å²	10.5	13%	0.133	6%	0.062	C	C	.	.			trans	-138.3	176.1	177.9	67.5	0	0	0	0	111.4	G141 G142 I174	G141-S146 VanDerWaalsContact O-O 3.1Å; G142-S146 WeakPolarHBondContact CA-OG 3.39Å; G142-S146 PolarHBondContact O-N 3.02Å; G142-S146 PolarHBondContact O-OG 3.18Å; S146-I174 VanDerWaalsContact C-CD1 3.44Å
147	G	98.6	Very high	98.5	Very high	4 Å²	4	12.5 Å²	12.5	4%	0.041	7%	0.07	C	C	.	.			trans	123.4	152.3	177	0	0	0	0	0	113.6	Q92	Q92-G147 PolarHBondContact NE2-O 2.86Å; Q92-G147 PolarHBondContact OE1-O 2.9Å
148	S	98.6	Very high	98.5	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.007	7%	0.073	C	C	.	.			trans	-146.9	142.5	174.1	-176.5	0	0	0	0	110.9	Y140 S150 L151 Y154	Y140-S148 VanDerWaalsContact CD1-C 3.46Å; S148-S150 PolarHBondContact O-N 2.98Å; S148-S150 PolarHBondContact OG-N 2.8Å; S148-S150 PolarHBondContact OG-OG 3.24Å; S148-L151 WeakPolarHBondContact O-CG 3.32Å; S148-Y154 WeakPolarHBondContact O-CD2 3.4Å; S148-Y154 VanDerWaalsContact O-CE2 3.24Å; S148-Y154 WeakPolarHBondContact O-CE2 3.09Å
149	S	98.6	Very high	98.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-9.1	174.3	65.4	0	0	0	0	114	N121 S169 N171	N121-S149 PolarHBondContact ND2-OG 3.05Å; N121-S149 VanDerWaalsContact ND2-OG 3.12Å; S149-S169 PolarHBondContact O-OG 3.14Å; S149-N171 WeakPolarHBondContact CB-OD1 3.33Å; S149-N171 PolarHBondContact N-OD1 2.85Å; S149-N171 PolarHBondContact OG-OD1 3.23Å
150	S	98.7	Very high	98.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.4	-175.3	63.1	0	0	0	0	114.8	N110 R111 S148	N110-S150 PolarHBondContact ND2-O 2.78Å; N110-S150 WeakPolarHBondContact OD1-CB 3.34Å; N110-S150 PolarHBondContact OD1-O 2.75Å; N110-S150 PolarHBondContact OD1-OG 3.28Å; R111-S150 WeakPolarHBondContact CG-OG 3.39Å; S148-S150 PolarHBondContact O-N 2.98Å; S148-S150 PolarHBondContact OG-N 2.8Å; S148-S150 PolarHBondContact OG-OG 3.24Å
151	L	98.8	Very high	98.2	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.016	8%	0.083	C	C	.	.			trans	-60.2	143.7	-179	-57.9	-174	0	0	0	111.1	W107 N108 S148 V153 Y154	W107-L151 HydrophobicContact CE3-CD1 4.25Å; N108-L151 WeakPolarHBondContact O-CD2 3.43Å; S148-L151 WeakPolarHBondContact O-CG 3.32Å; L151-V153 HydrophobicContact CB-CG1 4.12Å; L151-V153 PolarHBondContact O-N 2.78Å; L151-Y154 HydrophobicContact CB-CD2 3.79Å; L151-Y154 HydrophobicContact CB-CE2 4.02Å; L151-Y154 HydrophobicContact CB-CG 4.34Å; L151-Y154 HydrophobicContact CD1-CD2 4.27Å; L151-Y154 HydrophobicContact CD1-CE2 3.62Å; L151-Y154 HydrophobicContact CG-CD2 4.16Å; L151-Y154 HydrophobicContact CG-CE2 3.99Å; L151-Y154 PolarHBondContact O-N 2.57Å
152	D	98.3	Very high	98.1	Very high	110 Å²	110	17.7 Å²	17.7	59%	0.588	10%	0.097	S	C	*	.	G	3₁₀ helix	trans	-61.3	-32.1	-175.3	-66	-6.7	0	0	0	112.1	N110 Y154 D155	N110-D152 PolarHBondContact ND2-OD1 3.34Å; D152-Y154 PolarHBondContact O-N 2.96Å; D152-D155 WeakPolarHBondContact O-CB 3.4Å; D152-D155 PolarHBondContact O-N 3.04Å
153	V	98.5	Very high	98	Very high	5 Å²	5	17.2 Å²	17.2	3%	0.03	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-67.3	-17.1	175.4	67	0	0	0	0	113.6	M106 W107 L151 I485 E486 F489 L491	M106-V153 HydrophobicContact CE-CB 4.25Å; M106-V153 HydrophobicContact CE-CG1 4.49Å; M106-V153 HydrophobicContact CE-CG2 4.37Å; W107-V153 HydrophobicContact CE3-CG1 4.41Å; W107-V153 HydrophobicContact CH2-CG1 4.28Å; W107-V153 HydrophobicContact CZ3-CG1 3.81Å; L151-V153 HydrophobicContact CB-CG1 4.12Å; L151-V153 PolarHBondContact O-N 2.78Å; V153-I485 HydrophobicContact CG2-CB 4.26Å; V153-I485 HydrophobicContact CG2-CG2 4.06Å; V153-E486 HydrophobicContact CG2-CB 3.95Å; V153-F489 VanDerWaalsContact O-CB 3.26Å; V153-F489 WeakPolarHBondContact O-CB 3.44Å; V153-F489 VanDerWaalsContact O-CG 3.31Å; V153-F489 WeakPolarHBondContact O-CG 3.47Å; V153-L491 HydrophobicContact CB-CD1 4.14Å; V153-L491 HydrophobicContact CG2-CD1 4.04Å
154	Y	98.8	Very high	97.8	Very high	6 Å²	6	20.4 Å²	20.4	2%	0.024	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-102.8	11.6	176.6	-51.8	-29.7	0	0	0	113.2	W107 W138 S148 L151 D152 G156 I485 F489	W107-Y154 HydrophobicContact CZ3-CE1 4.25Å; W138-Y154 AromaticContact CE2-CD1 3.76Å; W138-Y154 AromaticContact CE2-CE1 3.89Å; W138-Y154 AromaticContact CZ2-CD1 3.74Å; W138-Y154 HydrophobicContact CZ2-CD1 3.74Å; W138-Y154 AromaticContact CZ2-CE1 3.47Å; W138-Y154 HydrophobicContact CZ2-CE1 3.47Å; W138-Y154 VanDerWaalsContact CZ2-CE1 3.47Å; W138-Y154 HydrophobicContact CZ2-CG 4.49Å; W138-Y154 AromaticContact CZ2-CZ 3.99Å; W138-Y154 AromaticContact NE1-CD1 3.45Å; W138-Y154 AromaticContact NE1-CD2 3.45Å; W138-Y154 AromaticContact NE1-CE1 3.77Å; W138-Y154 AromaticContact NE1-CE2 3.74Å; W138-Y154 AromaticContact NE1-CG 3.32Å; W138-Y154 VanDerWaalsContact NE1-CG 3.32Å; W138-Y154 AromaticContact NE1-CZ 3.91Å; S148-Y154 WeakPolarHBondContact O-CD2 3.4Å; S148-Y154 VanDerWaalsContact O-CE2 3.24Å; S148-Y154 WeakPolarHBondContact O-CE2 3.09Å; L151-Y154 HydrophobicContact CB-CD2 3.79Å; L151-Y154 HydrophobicContact CB-CE2 4.02Å; L151-Y154 HydrophobicContact CB-CG 4.34Å; L151-Y154 HydrophobicContact CD1-CD2 4.27Å; L151-Y154 HydrophobicContact CD1-CE2 3.62Å; L151-Y154 HydrophobicContact CG-CD2 4.16Å; L151-Y154 HydrophobicContact CG-CE2 3.99Å; L151-Y154 PolarHBondContact O-N 2.57Å; D152-Y154 PolarHBondContact O-N 2.96Å; Y154-G156 PolarHBondContact O-N 2.83Å; Y154-I485 HydrophobicContact CD1-CG2 3.83Å; Y154-I485 HydrophobicContact CE1-CD1 3.96Å; Y154-I485 HydrophobicContact CE1-CG2 3.8Å; Y154-F489 VanDerWaalsContact C-CD1 3.46Å; Y154-F489 HydrophobicContact CD1-CE2 4.4Å; Y154-F489 WeakPolarHBondContact O-CD1 3.07Å; Y154-F489 VanDerWaalsContact O-CE1 3.23Å; Y154-F489 WeakPolarHBondContact O-CE1 3.31Å
155	D	98.3	Very high	97.7	Very high	13 Å²	13	20.4 Å²	20.4	7%	0.07	11%	0.107	C	C	.	.			trans	-64.8	106.3	178.2	-167	-39	0	0	0	111	W123 D152 R157	W123-D155 PolarHBondContact NE1-OD1 3.04Å; D152-D155 WeakPolarHBondContact O-CB 3.4Å; D152-D155 PolarHBondContact O-N 3.04Å; D155-R157 PolarHBondContact O-N 2.67Å; D155-R157 VanDerWaalsContact O-N 3.08Å; D155-R157 VanDerWaalsContact OD1-CB 3.3Å; D155-R157 WeakPolarHBondContact OD1-CB 3.41Å; D155-R157 WeakPolarHBondContact OD1-CG 3.46Å; D155-R157 IonicContact OD1-CZ 2.78Å; D155-R157 PolarHBondContact OD1-N 3.18Å; D155-R157 VanDerWaalsContact OD1-N 3.07Å; D155-R157 IonicContact OD1-NE 2.73Å; D155-R157 PolarHBondContact OD1-NE 3.05Å; D155-R157 IonicContact OD1-NH2 3.72Å; D155-R157 IonicContact OD2-CZ 3.6Å; D155-R157 IonicContact OD2-NE 3.89Å; D155-R157 PolarHBondContact OD2-NE 3.49Å; D155-R157 IonicContact OD2-NH2 3.64Å; D155-R157 PolarHBondContact OD2-NH2 3.44Å
156	G	98.1	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-4.1	-173.5	0	0	0	0	0	115.2	Y154 Y158 L159 A160	Y154-G156 PolarHBondContact O-N 2.83Å; G156-Y158 PolarHBondContact O-N 3.05Å; G156-L159 PolarHBondContact O-N 3.09Å; G156-A160 VanDerWaalsContact O-CB 3.24Å; G156-A160 WeakPolarHBondContact O-CB 3.44Å; G156-A160 PolarHBondContact O-N 2.92Å
157	R	96.3	Very high	97.7	Very high	41 Å²	41	17.9 Å²	17.9	16%	0.155	10%	0.095	C	C	.	.	H	α-helix	trans	-61	-40.2	-171.6	73.6	-178.6	70.9	-178.8	10.8	113.5	P43 V44 V50 D155 H161	P43-R157 PolarHBondContact O-NH1 3.42Å; V44-R157 HydrophobicContact CG1-CB 4.25Å; V44-R157 HydrophobicContact CG1-CG 4.21Å; V50-R157 HydrophobicContact CG2-CB 3.71Å; D155-R157 PolarHBondContact O-N 2.67Å; D155-R157 VanDerWaalsContact O-N 3.08Å; D155-R157 VanDerWaalsContact OD1-CB 3.3Å; D155-R157 WeakPolarHBondContact OD1-CB 3.41Å; D155-R157 WeakPolarHBondContact OD1-CG 3.46Å; D155-R157 IonicContact OD1-CZ 2.78Å; D155-R157 PolarHBondContact OD1-N 3.18Å; D155-R157 VanDerWaalsContact OD1-N 3.07Å; D155-R157 IonicContact OD1-NE 2.73Å; D155-R157 PolarHBondContact OD1-NE 3.05Å; D155-R157 IonicContact OD1-NH2 3.72Å; D155-R157 IonicContact OD2-CZ 3.6Å; D155-R157 IonicContact OD2-NE 3.89Å; D155-R157 PolarHBondContact OD2-NE 3.49Å; D155-R157 IonicContact OD2-NH2 3.64Å; D155-R157 PolarHBondContact OD2-NH2 3.44Å; R157-H161 WeakPolarHBondContact O-CB 3.35Å; R157-H161 PolarHBondContact O-N 3.46Å
158	Y	97.4	Very high	97.8	Very high	17 Å²	17	17.7 Å²	17.7	7%	0.067	9%	0.093	C	C	.	.	H	α-helix	trans	-75	-40.6	-174.6	-50	-76.7	0	0	0	111.2	P45 G156 T162 F489 L491	P45-Y158 HydrophobicContact CG-CD1 4.19Å; P45-Y158 HydrophobicContact CG-CE1 3.75Å; G156-Y158 PolarHBondContact O-N 3.05Å; Y158-T162 WeakPolarHBondContact O-CB 3.44Å; Y158-T162 PolarHBondContact O-N 3.46Å; Y158-T162 PolarHBondContact O-OG1 3.09Å; Y158-F489 WeakPolarHBondContact CB-O 2.96Å; Y158-L491 HydrophobicContact CE2-CD2 4.01Å
159	L	98.3	Very high	97.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.8	-47.7	175	178.8	59.7	0	0	0	111.1	M136 G156 H161 E163 V165 V167 F221 M511	M136-L159 HydrophobicContact CE-CD2 4.01Å; M136-L159 HydrophobicContact SD-CD2 4.18Å; G156-L159 PolarHBondContact O-N 3.09Å; L159-H161 VanDerWaalsContact C-N 3.34Å; L159-H161 PolarHBondContact O-N 3.35Å; L159-E163 HydrophobicContact CD1-CB 4.32Å; L159-E163 HydrophobicContact CD1-CG 4.13Å; L159-E163 WeakPolarHBondContact O-CB 3.37Å; L159-E163 PolarHBondContact O-N 2.99Å; L159-E163 VanDerWaalsContact O-N 3.1Å; L159-V165 HydrophobicContact CG-CG2 4.25Å; L159-V167 HydrophobicContact CB-CG2 4.12Å; L159-V167 HydrophobicContact CD2-CG2 3.91Å; L159-V167 HydrophobicContact CG-CG2 3.89Å; L159-F221 HydrophobicContact CD2-CZ 4.43Å; L159-M511 HydrophobicContact CB-SD 4.14Å; L159-M511 HydrophobicContact CD1-CB 3.83Å; L159-M511 HydrophobicContact CD1-CG 3.85Å; L159-M511 HydrophobicContact CD1-SD 4.12Å
160	A	97.6	Very high	97.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.9	-47	177.5	0	0	0	0	0	111.6	W123 G156 T164 V165 V167	W123-A160 HydrophobicContact CB-CB 3.8Å; G156-A160 VanDerWaalsContact O-CB 3.24Å; G156-A160 WeakPolarHBondContact O-CB 3.44Å; G156-A160 PolarHBondContact O-N 2.92Å; A160-T164 VanDerWaalsContact O-CA 3.23Å; A160-T164 WeakPolarHBondContact O-CA 3.38Å; A160-T164 PolarHBondContact O-N 3.02Å; A160-V165 VanDerWaalsContact CA-O 3.28Å; A160-V165 WeakPolarHBondContact CA-O 3.31Å; A160-V165 WeakPolarHBondContact CB-O 3.41Å; A160-V165 PolarHBondContact O-N 2.95Å; A160-V167 HydrophobicContact CB-CB 4.46Å; A160-V167 HydrophobicContact CB-CG2 3.96Å
161	H	96	Very high	97.8	Very high	44 Å²	44	17.7 Å²	17.7	20%	0.204	9%	0.093	C	C	.	.	H	α-helix	trans	-66.2	-58.7	179.1	-179	61.3	0	0	0	112.9	V44 D46 S48 V50 R157 L159 E163 T164	V44-H161 HydrophobicContact CG1-CB 4.1Å; D46-H161 IonicContact OD1-NE2 3.24Å; D46-H161 IonicContact OD2-CD2 2.72Å; D46-H161 IonicContact OD2-CE1 2.71Å; D46-H161 IonicContact OD2-NE2 3.85Å; D46-H161 PolarHBondContact OD2-NE2 3.25Å; S48-H161 PolarHBondContact OG-CE1 2.98Å; S48-H161 PolarHBondContact OG-NE2 2.66Å; V50-H161 HydrophobicContact CG1-CB 3.79Å; R157-H161 WeakPolarHBondContact O-CB 3.35Å; R157-H161 PolarHBondContact O-N 3.46Å; L159-H161 VanDerWaalsContact C-N 3.34Å; L159-H161 PolarHBondContact O-N 3.35Å; H161-E163 VanDerWaalsContact C-N 3.27Å; H161-E163 PolarHBondContact O-N 3.29Å; H161-T164 PolarHBondContact O-N 3.15Å
162	T	95.6	Very high	97.8	Very high	50 Å²	50	17.5 Å²	17.5	31%	0.307	9%	0.092	S	C	.	.	H	α-helix	trans	-62.6	-37.8	-170.8	-54.9	0	0	0	0	111.5	Y158 M511	Y158-T162 WeakPolarHBondContact O-CB 3.44Å; Y158-T162 PolarHBondContact O-N 3.46Å; Y158-T162 PolarHBondContact O-OG1 3.09Å; T162-M511 HydrophobicContact CG2-CE 3.84Å
163	E	96.1	Very high	97.8	Very high	12 Å²	12	12.7 Å²	12.7	6%	0.056	7%	0.065	C	C	.	.	H	α-helix	trans	-103.9	0	-176.1	-69	-59.1	143.5	0	0	113.3	L159 H161 V165 M511 K512 A515 R519	L159-E163 HydrophobicContact CD1-CB 4.32Å; L159-E163 HydrophobicContact CD1-CG 4.13Å; L159-E163 WeakPolarHBondContact O-CB 3.37Å; L159-E163 PolarHBondContact O-N 2.99Å; L159-E163 VanDerWaalsContact O-N 3.1Å; H161-E163 VanDerWaalsContact C-N 3.27Å; H161-E163 PolarHBondContact O-N 3.29Å; E163-V165 VanDerWaalsContact C-N 3.29Å; E163-V165 HydrophobicContact CB-CG1 4.35Å; E163-V165 HydrophobicContact CB-CG2 4.2Å; E163-V165 PolarHBondContact O-N 2.81Å; E163-M511 HydrophobicContact CG-CB 4.03Å; E163-K512 WeakPolarHBondContact OE1-CA 2.88Å; E163-K512 VanDerWaalsContact OE1-CD 3.25Å; E163-K512 WeakPolarHBondContact OE1-CD 3.49Å; E163-K512 WeakPolarHBondContact OE2-CD 3.46Å; E163-K512 IonicContact OE2-NZ 3.3Å; E163-K512 PolarHBondContact OE2-NZ 3.36Å; E163-A515 HydrophobicContact CB-CB 3.48Å; E163-A515 VanDerWaalsContact CB-CB 3.48Å; E163-A515 HydrophobicContact CG-CB 3.59Å; E163-R519 PolarHBondContact O-NH2 3.02Å; E163-R519 IonicContact OE2-CZ 3.74Å; E163-R519 IonicContact OE2-NH1 3.6Å; E163-R519 IonicContact OE2-NH2 3.93Å; E163-R519 PolarHBondContact OE2-NH2 3.15Å
164	T	95.3	Very high	97.9	Very high	69 Å²	69	12.5 Å²	12.5	42%	0.423	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	52.5	-179.5	-46.2	0	0	0	0	111.2	P125 P130 L133 A160 H161	P125-T164 HydrophobicContact CB-CG2 4.38Å; P125-T164 HydrophobicContact CG-CG2 4.24Å; P130-T164 HydrophobicContact CG-CG2 4.25Å; L133-T164 HydrophobicContact CD2-CG2 4.12Å; A160-T164 VanDerWaalsContact O-CA 3.23Å; A160-T164 WeakPolarHBondContact O-CA 3.38Å; A160-T164 PolarHBondContact O-N 3.02Å; H161-T164 PolarHBondContact O-N 3.15Å
165	V	97.4	Very high	97.9	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.063	C	C	.	.			trans	-123.6	160.5	175.5	-66.2	0	0	0	0	109	P125 M136 L159 A160 E163 V167 A515	P125-V165 WeakPolarHBondContact CD-O 3.5Å; M136-V165 HydrophobicContact SD-CG2 4.19Å; L159-V165 HydrophobicContact CG-CG2 4.25Å; A160-V165 VanDerWaalsContact CA-O 3.28Å; A160-V165 WeakPolarHBondContact CA-O 3.31Å; A160-V165 WeakPolarHBondContact CB-O 3.41Å; A160-V165 PolarHBondContact O-N 2.95Å; E163-V165 VanDerWaalsContact C-N 3.29Å; E163-V165 HydrophobicContact CB-CG1 4.35Å; E163-V165 HydrophobicContact CB-CG2 4.2Å; E163-V165 PolarHBondContact O-N 2.81Å; V165-V167 HydrophobicContact CG2-CG2 4.14Å; V165-A515 HydrophobicContact CG1-CB 4.06Å
166	I	98.6	Very high	97.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.2	168	-63	-176.1	0	0	0	108	I122 W123 V124 L133 S134 V135 M136 V168 I208 F211 G213	I122-I166 HydrophobicContact CG2-CG2 3.66Å; W123-I166 WeakPolarHBondContact O-CA 3.32Å; V124-I166 HydrophobicContact CG2-CD1 4.45Å; L133-I166 HydrophobicContact CB-CD1 4.44Å; L133-I166 HydrophobicContact CB-CG1 4.16Å; L133-I166 HydrophobicContact CD1-CG1 4.03Å; S134-I166 PolarHBondContact O-N 2.8Å; V135-I166 CarbonylContact C-O 3.55Å; V135-I166 WeakPolarHBondContact CA-O 2.95Å; V135-I166 HydrophobicContact CG1-CG2 4.48Å; V135-I166 HydrophobicContact CG2-CB 4.38Å; M136-I166 PolarHBondContact N-O 3.32Å; I166-V168 HydrophobicContact CG2-CG2 4.2Å; I166-I208 HydrophobicContact CG2-CD1 4Å; I166-I208 HydrophobicContact CG2-CG1 4.47Å; I166-F211 HydrophobicContact CD1-CB 4.29Å; I166-F211 VanDerWaalsContact CD1-O 3.27Å; I166-F211 WeakPolarHBondContact CD1-O 3.37Å; I166-G213 VanDerWaalsContact CD1-CA 3.45Å
167	V	98.9	Very high	97.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.6	173.4	-177.6	0	0	0	0	108.2	I122 W123 M136 L159 A160 V165	I122-V167 CarbonylContact C-O 3.55Å; I122-V167 WeakPolarHBondContact CA-O 3.15Å; W123-V167 HydrophobicContact CE3-CB 4.3Å; W123-V167 HydrophobicContact CE3-CG1 4.22Å; W123-V167 PolarHBondContact N-O 3.42Å; W123-V167 PolarHBondContact O-N 3.45Å; M136-V167 CarbonylContact O-C 3.51Å; M136-V167 WeakPolarHBondContact O-CA 3.41Å; L159-V167 HydrophobicContact CB-CG2 4.12Å; L159-V167 HydrophobicContact CD2-CG2 3.91Å; L159-V167 HydrophobicContact CG-CG2 3.89Å; A160-V167 HydrophobicContact CB-CB 4.46Å; A160-V167 HydrophobicContact CB-CG2 3.96Å; V165-V167 HydrophobicContact CG2-CG2 4.14Å
168	V	98.9	Very high	98	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.6	173.6	-177.2	0	0	0	0	107.8	L120 N121 I122 V135 M136 V137 W138 I166 V204 I208	L120-V168 HydrophobicContact CB-CG1 4.37Å; L120-V168 HydrophobicContact CD1-CG1 4.38Å; N121-V168 CarbonylContact O-C 3.27Å; N121-V168 WeakPolarHBondContact O-CA 3.2Å; N121-V168 WeakPolarHBondContact O-CG1 3.34Å; I122-V168 HydrophobicContact CG1-CG1 4.42Å; I122-V168 HydrophobicContact CG1-CG2 4.26Å; I122-V168 HydrophobicContact CG2-CG2 4.31Å; V135-V168 HydrophobicContact CG1-CG2 3.98Å; M136-V168 PolarHBondContact O-N 3.24Å; V137-V168 CarbonylContact C-O 3.55Å; V137-V168 WeakPolarHBondContact CA-O 3.43Å; V137-V168 HydrophobicContact CB-CB 4.43Å; V137-V168 HydrophobicContact CG1-CB 4.19Å; V137-V168 HydrophobicContact CG1-CG1 4.22Å; V137-V168 HydrophobicContact CG2-CB 4.14Å; V137-V168 HydrophobicContact CG2-CG2 4.47Å; W138-V168 PolarHBondContact N-O 2.94Å; I166-V168 HydrophobicContact CG2-CG2 4.2Å; V168-V204 HydrophobicContact CG1-CG2 4.1Å; V168-I208 HydrophobicContact CG2-CD1 3.9Å
169	S	98.9	Very high	98.1	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.6	166.5	68	0	0	0	0	109.8	L120 N121 W123 S149	L120-S169 CarbonylContact C-O 3.52Å; L120-S169 WeakPolarHBondContact CA-O 3.25Å; L120-S169 VanDerWaalsContact CB-O 3.26Å; L120-S169 WeakPolarHBondContact CB-O 3.41Å; N121-S169 PolarHBondContact N-O 3.19Å; N121-S169 PolarHBondContact ND2-OG 2.83Å; N121-S169 VanDerWaalsContact ND2-OG 3.11Å; N121-S169 PolarHBondContact O-N 3.11Å; W123-S169 WeakPolarHBondContact CZ3-OG 3.37Å; S149-S169 PolarHBondContact O-OG 3.14Å
170	M	98.9	Very high	98.1	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.7	-178.4	68.2	178.8	73	0	0	112.1	L120 V137 W138 I139 Y140 Q197 A200 L201	L120-M170 HydrophobicContact CB-CB 4.24Å; V137-M170 HydrophobicContact CG1-CE 3.31Å; W138-M170 PolarHBondContact O-N 3.31Å; I139-M170 HydrophobicContact CG1-SD 4.49Å; Y140-M170 WeakPolarHBondContact CD1-O 3.25Å; Y140-M170 VanDerWaalsContact CE1-O 3.27Å; Y140-M170 WeakPolarHBondContact CE1-O 3.26Å; M170-Q197 VanDerWaalsContact SD-CA 3.57Å; M170-Q197 HydrophobicContact SD-CB 3.95Å; M170-Q197 HydrophobicContact SD-CG 4.1Å; M170-A200 HydrophobicContact CB-CB 4.04Å; M170-A200 HydrophobicContact CE-CB 3.63Å; M170-A200 HydrophobicContact CG-CB 4.42Å; M170-A200 HydrophobicContact SD-CB 3.52Å; M170-A200 VanDerWaalsContact SD-CB 3.52Å; M170-L201 HydrophobicContact CE-CD2 3.81Å; M170-L201 HydrophobicContact CE-CG 4.08Å
171	N	98.9	Very high	98.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.			trans	-85	150.8	160.5	-77.7	-8.7	0	0	0	111.5	F58 N88 C117 Y119 S149	F58-N171 VanDerWaalsContact CZ-O 3.27Å; F58-N171 WeakPolarHBondContact CZ-O 3.5Å; N88-N171 PolarHBondContact O-ND2 3.44Å; C117-N171 WeakPolarHBondContact O-CB 3.38Å; C117-N171 PolarHBondContact O-ND2 2.96Å; Y119-N171 PolarHBondContact O-N 3.11Å; S149-N171 WeakPolarHBondContact CB-OD1 3.33Å; S149-N171 PolarHBondContact N-OD1 2.85Å; S149-N171 PolarHBondContact OG-OD1 3.23Å
172	Y	98.9	Very high	98.2	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.043	C	C	.	.			trans	-143.4	149.3	168	63.3	-86.2	0	0	0	109.4	C90 I139 Y140 F144 I174 F179 Q197	C90-Y172 PolarHBondContact SG-O 3Å; I139-Y172 HydrophobicContact CG2-CD1 4.28Å; I139-Y172 HydrophobicContact CG2-CE1 3.84Å; Y140-Y172 HydrophobicContact CD1-CE1 4.29Å; Y140-Y172 HydrophobicContact CD2-CD1 4.41Å; Y140-Y172 AromaticContact CD2-CE1 3.5Å; Y140-Y172 HydrophobicContact CD2-CE1 3.5Å; Y140-Y172 AromaticContact CD2-CZ 3.87Å; Y140-Y172 HydrophobicContact CE1-CD1 4.11Å; Y140-Y172 HydrophobicContact CE1-CE1 4.1Å; Y140-Y172 AromaticContact CE2-CD1 3.84Å; Y140-Y172 HydrophobicContact CE2-CD1 3.84Å; Y140-Y172 AromaticContact CE2-CE1 3.22Å; Y140-Y172 HydrophobicContact CE2-CE1 3.22Å; Y140-Y172 HydrophobicContact CE2-CE2 4.33Å; Y140-Y172 AromaticContact CE2-CZ 3.5Å; Y140-Y172 HydrophobicContact CG-CE1 4.02Å; Y140-Y172 AromaticContact CZ-CD1 3.64Å; Y140-Y172 AromaticContact CZ-CE1 3.54Å; Y140-Y172 WeakPolarHBondContact O-CE1 3.17Å; Y140-Y172 PolarHBondContact O-OH 2.94Å; Y140-Y172 PolarHBondContact OH-N 2.77Å; Y140-Y172 VanDerWaalsContact OH-N 3.14Å; Y140-Y172 PolarHBondContact OH-O 2.67Å; F144-Y172 HydrophobicContact CD1-CE2 4.31Å; Y172-I174 HydrophobicContact CD2-CG2 3.91Å; Y172-I174 HydrophobicContact CE2-CG2 3.45Å; Y172-I174 VanDerWaalsContact CE2-CG2 3.45Å; Y172-F179 HydrophobicContact CD2-CE2 4.5Å; Y172-F179 HydrophobicContact CD2-CZ 4.41Å; Y172-F179 HydrophobicContact CE2-CE2 4.3Å; Y172-F179 HydrophobicContact CE2-CZ 4.28Å; Y172-Q197 HydrophobicContact CD1-CG 3.86Å; Y172-Q197 VanDerWaalsContact CD1-NE2 3.25Å; Y172-Q197 HydrophobicContact CD2-CG 4.34Å; Y172-Q197 VanDerWaalsContact CE1-NE2 3.28Å; Y172-Q197 VanDerWaalsContact CE2-NE2 3.25Å; Y172-Q197 HydrophobicContact CG-CG 3.7Å; Y172-Q197 VanDerWaalsContact CZ-NE2 3.3Å
173	R	98.9	Very high	98.1	Very high	8 Å²	8	9.1 Å²	9.1	3%	0.03	5%	0.047	C	C	.	.			trans	-64	141.9	177.8	-73.4	170.9	-73.8	173.5	-0.9	110.7	P62 R69 L118 F177 G178 F179 G193 D196	P62-R173 HydrophobicContact CG-CG 4.44Å; R69-R173 PolarHBondContact O-NH1 2.91Å; R69-R173 PolarHBondContact O-NH2 3.13Å; L118-R173 HydrophobicContact CD2-CG 4.21Å; R173-F177 HydrophobicContact CB-CB 4.41Å; R173-G178 WeakPolarHBondContact O-CA 3.4Å; R173-F179 WeakPolarHBondContact O-CE2 3.45Å; R173-G193 WeakPolarHBondContact O-CA 3.43Å; R173-D196 VanDerWaalsContact CB-OD2 3.28Å; R173-D196 WeakPolarHBondContact CB-OD2 3.33Å; R173-D196 WeakPolarHBondContact CG-OD2 3.39Å; R173-D196 IonicContact CZ-OD1 3.8Å; R173-D196 IonicContact CZ-OD2 2.7Å; R173-D196 PolarHBondContact N-OD2 3.24Å; R173-D196 IonicContact NE-OD1 2.74Å; R173-D196 PolarHBondContact NE-OD1 2.87Å; R173-D196 IonicContact NE-OD2 3.39Å; R173-D196 PolarHBondContact NE-OD2 2.94Å; R173-D196 IonicContact NH2-OD1 3.12Å; R173-D196 PolarHBondContact NH2-OD1 3.42Å; R173-D196 IonicContact NH2-OD2 2.88Å
174	I	98.8	Very high	97.8	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	8%	0.082	C	C	.	.			trans	-129	170.5	-175.2	42.3	174.4	0	0	0	109.8	C90 Q92 Y140 F144 S146 Y172 F177 G178 F179	C90-I174 HydrophobicContact CB-CD1 4.45Å; C90-I174 HydrophobicContact CB-CG1 4.11Å; Q92-I174 HydrophobicContact CB-CD1 3.55Å; Q92-I174 HydrophobicContact CB-CG1 4.33Å; Q92-I174 HydrophobicContact CG-CD1 4.26Å; Y140-I174 HydrophobicContact CE2-CG2 4.32Å; F144-I174 CarbonylContact O-C 3.5Å; F144-I174 WeakPolarHBondContact O-CA 3.4Å; F144-I174 WeakPolarHBondContact O-CB 3.3Å; F144-I174 WeakPolarHBondContact O-CG2 3.4Å; S146-I174 VanDerWaalsContact C-CD1 3.44Å; Y172-I174 HydrophobicContact CD2-CG2 3.91Å; Y172-I174 HydrophobicContact CE2-CG2 3.45Å; Y172-I174 VanDerWaalsContact CE2-CG2 3.45Å; I174-F177 PolarHBondContact O-N 2.81Å; I174-G178 PolarHBondContact O-N 3.03Å; I174-F179 HydrophobicContact CG2-CE2 4.48Å
175	G	98.8	Very high	97.8	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	54.4	-146.3	-175.5	0	0	0	0	0	112.3	F144 F177 G178 F179 E302 F316	F144-G175 PolarHBondContact O-N 3.06Å; G175-F177 PolarHBondContact O-N 3.2Å; G175-G178 PolarHBondContact O-N 2.73Å; G175-F179 PolarHBondContact O-N 3.22Å; G175-E302 WeakPolarHBondContact CA-OE1 3.3Å; G175-F316 VanDerWaalsContact C-CB 3.48Å; G175-F316 WeakPolarHBondContact O-CB 3.11Å
176	A	98.8	Very high	97.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.4	-32.4	177.5	0	0	0	0	0	112.8	F68 G178 L180 L272 F316	F68-A176 VanDerWaalsContact CD1-O 3.31Å; F68-A176 WeakPolarHBondContact CD1-O 3.25Å; F68-A176 WeakPolarHBondContact CE1-O 3.35Å; A176-G178 VanDerWaalsContact C-N 3.29Å; A176-G178 PolarHBondContact O-N 3.46Å; A176-L180 HydrophobicContact CB-CD1 4.44Å; A176-L180 WeakPolarHBondContact O-CB 3.23Å; A176-L180 PolarHBondContact O-N 3.28Å; A176-L180 VanDerWaalsContact O-N 3.15Å; A176-L272 HydrophobicContact CB-CD2 3.85Å; A176-F316 HydrophobicContact CB-CD2 3.82Å; A176-F316 HydrophobicContact CB-CE2 3.84Å; A176-F316 HydrophobicContact CB-CG 4.28Å; A176-F316 HydrophobicContact CB-CZ 4.32Å
177	F	98.9	Very high	97.6	Very high	8 Å²	8	14.9 Å²	14.9	4%	0.035	10%	0.101	C	C	.	.	H	α-helix	trans	-66.4	-31.2	-178.1	-51.2	-80.7	0	0	0	113.1	R67 F68 E115 R173 I174 G175 P295 L298 I299	R67-F177 HydrophobicContact CG-CD1 4.28Å; F68-F177 HydrophobicContact CE1-CD1 4.47Å; E115-F177 HydrophobicContact CG-CD1 4.49Å; R173-F177 HydrophobicContact CB-CB 4.41Å; I174-F177 PolarHBondContact O-N 2.81Å; G175-F177 PolarHBondContact O-N 3.2Å; F177-P295 HydrophobicContact CE1-CB 3.95Å; F177-P295 HydrophobicContact CE1-CG 4.43Å; F177-P295 HydrophobicContact CZ-CB 3.61Å; F177-L298 HydrophobicContact CE1-CD1 3.92Å; F177-L298 HydrophobicContact CZ-CB 4.35Å; F177-L298 HydrophobicContact CZ-CD1 4.18Å; F177-I299 HydrophobicContact CE2-CD1 4.11Å; F177-I299 HydrophobicContact CE2-CG1 3.92Å; F177-I299 HydrophobicContact CZ-CD1 4.48Å; F177-I299 HydrophobicContact CZ-CG1 4.38Å
178	G	98.8	Very high	97.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-100	-27.3	-178.6	0	0	0	0	0	114.8	R173 I174 G175 A176 V192 G193	R173-G178 WeakPolarHBondContact O-CA 3.4Å; I174-G178 PolarHBondContact O-N 3.03Å; G175-G178 PolarHBondContact O-N 2.73Å; A176-G178 VanDerWaalsContact C-N 3.29Å; A176-G178 PolarHBondContact O-N 3.46Å; G178-V192 WeakPolarHBondContact O-CG2 3.46Å; G178-V192 PolarHBondContact O-N 3.11Å; G178-G193 PolarHBondContact O-N 2.88Å
179	F	98.9	Very high	97.5	Very high	3 Å²	3	16.6 Å²	16.6	1%	0.013	11%	0.112	C	C	.	.	H	α-helix	trans	-136.2	8	-163.5	-61.4	-74.9	0	0	0	114.7	F144 Y172 R173 I174 G175 A181 L194 F316 P318	F144-F179 HydrophobicContact CB-CD2 4.02Å; F144-F179 HydrophobicContact CB-CE2 3.74Å; F144-F179 HydrophobicContact CB-CZ 4.28Å; F144-F179 HydrophobicContact CD1-CE1 4.35Å; F144-F179 AromaticContact CD1-CE2 3.89Å; F144-F179 HydrophobicContact CD1-CE2 3.89Å; F144-F179 AromaticContact CD1-CZ 3.62Å; F144-F179 HydrophobicContact CD1-CZ 3.62Å; F144-F179 HydrophobicContact CE1-CZ 4.33Å; F144-F179 HydrophobicContact CG-CE2 4.2Å; F144-F179 HydrophobicContact CG-CZ 4.24Å; Y172-F179 HydrophobicContact CD2-CE2 4.5Å; Y172-F179 HydrophobicContact CD2-CZ 4.41Å; Y172-F179 HydrophobicContact CE2-CE2 4.3Å; Y172-F179 HydrophobicContact CE2-CZ 4.28Å; R173-F179 WeakPolarHBondContact O-CE2 3.45Å; I174-F179 HydrophobicContact CG2-CE2 4.48Å; G175-F179 PolarHBondContact O-N 3.22Å; F179-A181 PolarHBondContact O-N 2.97Å; F179-L194 HydrophobicContact CE1-CG 4.1Å; F179-F316 VanDerWaalsContact CB-C 3.45Å; F179-F316 HydrophobicContact CB-CB 3.76Å; F179-F316 WeakPolarHBondContact CB-O 3.47Å; F179-P318 HydrophobicContact CD1-CG 4.11Å; F179-P318 HydrophobicContact CE1-CG 3.74Å
180	L	98.8	Very high	97.4	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	11%	0.112	C	C	.	.			trans	-62.1	123.7	167.7	-172.2	146.5	0	0	0	109.8	F68 A176 L182 A188 G190 A269 L272 L290 F316	F68-L180 HydrophobicContact CD1-CB 4.18Å; F68-L180 HydrophobicContact CE1-CB 4.49Å; F68-L180 HydrophobicContact CE1-CD1 4.39Å; A176-L180 HydrophobicContact CB-CD1 4.44Å; A176-L180 WeakPolarHBondContact O-CB 3.23Å; A176-L180 PolarHBondContact O-N 3.28Å; A176-L180 VanDerWaalsContact O-N 3.15Å; L180-L182 HydrophobicContact CD2-CD1 4.35Å; L180-L182 HydrophobicContact CD2-CG 4.29Å; L180-A188 HydrophobicContact CD2-CB 3.47Å; L180-A188 VanDerWaalsContact CD2-CB 3.47Å; L180-G190 WeakPolarHBondContact O-CA 3.49Å; L180-G190 PolarHBondContact O-N 2.8Å; L180-A269 HydrophobicContact CD1-CB 4.36Å; L180-A269 HydrophobicContact CD2-CB 4.13Å; L180-A269 HydrophobicContact CG-CB 3.88Å; L180-L272 HydrophobicContact CD1-CD2 4.11Å; L180-L290 HydrophobicContact CD1-CD1 3.66Å; L180-F316 HydrophobicContact CB-CD1 4.41Å; L180-F316 HydrophobicContact CG-CE1 4.46Å
181	A	98.4	Very high	97.4	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.008	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-129.9	121.5	-173.9	0	0	0	0	0	112	F179 G190 A265 R266 V319	F179-A181 PolarHBondContact O-N 2.97Å; A181-G190 VanDerWaalsContact CB-CA 3.47Å; A181-A265 HydrophobicContact CB-CB 3.85Å; A181-A265 CarbonylContact O-C 3.55Å; A181-R266 PolarHBondContact O-N 3.32Å; A181-V319 HydrophobicContact CB-CB 4.22Å; A181-V319 HydrophobicContact CB-CG1 3.76Å
182	L	97.4	Very high	97.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.113	C	C	.	.			trans	-118.5	79.8	168.4	-65.4	168.7	0	0	0	106.8	L180 G184 S185 A188 R266 A269 D283 L286 V287	L180-L182 HydrophobicContact CD2-CD1 4.35Å; L180-L182 HydrophobicContact CD2-CG 4.29Å; L182-G184 PolarHBondContact O-N 2.88Å; L182-S185 WeakPolarHBondContact O-CB 3.41Å; L182-S185 PolarHBondContact O-N 2.83Å; L182-A188 HydrophobicContact CD1-CB 4.45Å; L182-A188 PolarHBondContact N-O 3.24Å; L182-R266 HydrophobicContact CD2-CG 4.18Å; L182-A269 HydrophobicContact CD2-CB 3.73Å; L182-A269 HydrophobicContact CG-CB 4.18Å; L182-D283 HydrophobicContact CD1-CB 4.3Å; L182-L286 HydrophobicContact CD1-CD2 3.85Å; L182-V287 HydrophobicContact CD1-CG2 3.56Å
183	H	92.4	Very high	97.4	Very high	85 Å²	85	16.7 Å²	16.7	39%	0.394	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	124.7	-173.5	-178	75.6	0	0	0	111.9	P262 R266 D321	H183-P262 HydrophobicContact CB-CB 3.93Å; H183-R266 PolarHBondContact O-NH2 3.05Å; H183-D321 PolarHBondContact CE1-O 3.18Å
184	G	90.2	Very high	97.4	Very high	77 Å²	77	16.3 Å²	16.3	79%	0.794	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.4	-15.3	-171	0	0	0	0	0	114.8	L182	L182-G184 PolarHBondContact O-N 2.88Å
185	S	95.1	Very high	97.4	Very high	13 Å²	13	18.1 Å²	18.1	9%	0.091	12%	0.121	C	C	.	.			trans	-91.2	131.6	173.3	-179.9	0	0	0	0	111.7	L182 E187 P189	L182-S185 WeakPolarHBondContact O-CB 3.41Å; L182-S185 PolarHBondContact O-N 2.83Å; S185-E187 VanDerWaalsContact C-N 3.27Å; S185-E187 PolarHBondContact O-N 3.43Å; S185-E187 PolarHBondContact OG-N 2.76Å; S185-P189 WeakPolarHBondContact O-CA 3.39Å
186	S	94.8	Very high	97.5	Very high	84 Å²	84	18 Å²	18	59%	0.587	12%	0.12	S	C	*	.	S	Bend	trans	-75.6	-15	171.6	57.9	0	0	0	0	113.7
187	E	96.6	Very high	97.5	Very high	29 Å²	29	18 Å²	18	14%	0.136	12%	0.12	C	C	.	.	S	Bend	trans	-84.8	-27.7	-175.5	-64	-56.8	125.6	0	0	112.7	F68 R69 S185 T284 V287 R291	F68-E187 CarbonylContact C-O 3.5Å; R69-E187 IonicContact CZ-OE1 3.57Å; R69-E187 IonicContact NH1-OE1 2.74Å; S185-E187 VanDerWaalsContact C-N 3.27Å; S185-E187 PolarHBondContact O-N 3.43Å; S185-E187 PolarHBondContact OG-N 2.76Å; E187-T284 HydrophobicContact CG-CG2 4.45Å; E187-V287 HydrophobicContact CB-CB 4.18Å; E187-V287 HydrophobicContact CB-CG1 3.9Å; E187-V287 HydrophobicContact CB-CG2 4.24Å; E187-R291 PolarHBondContact O-NH2 3.25Å; E187-R291 IonicContact OE2-CZ 2.66Å; E187-R291 IonicContact OE2-NH1 3.39Å; E187-R291 PolarHBondContact OE2-NH1 2.9Å; E187-R291 IonicContact OE2-NH2 3.19Å; E187-R291 PolarHBondContact OE2-NH2 2.97Å
188	A	98	Very high	97.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-148.6	71.6	174.1	0	0	0	0	0	110.4	F68 L180 L182 G190 V287	F68-A188 HydrophobicContact CB-CB 3.85Å; L180-A188 HydrophobicContact CD2-CB 3.47Å; L180-A188 VanDerWaalsContact CD2-CB 3.47Å; L182-A188 HydrophobicContact CD1-CB 4.45Å; L182-A188 PolarHBondContact N-O 3.24Å; A188-G190 PolarHBondContact O-N 3.21Å; A188-V287 HydrophobicContact CB-CG2 3.78Å
189	P	97.8	Very high	97.5	Very high	35 Å²	35	20.3 Å²	20.3	23%	0.227	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-69.8	-15.2	-173.6	27.9	-35.1	0	0	0	113.9	P70 S185 V192	P70-P189 HydrophobicContact CG-CG 4Å; S185-P189 WeakPolarHBondContact O-CA 3.39Å; P189-V192 HydrophobicContact CG-CG1 4.05Å
190	G	97.9	Very high	97.5	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.01	13%	0.129	C	C	.	.	S	Bend	trans	88.3	172.2	-166	0	0	0	0	0	112.2	L180 A181 A188 V192	L180-G190 WeakPolarHBondContact O-CA 3.49Å; L180-G190 PolarHBondContact O-N 2.8Å; A181-G190 VanDerWaalsContact CB-CA 3.47Å; A188-G190 PolarHBondContact O-N 3.21Å; G190-V192 PolarHBondContact O-N 3.21Å
191	N	98.8	Very high	97.5	Very high	1 Å²	1	20 Å²	20	1%	0.005	13%	0.129	C	C	.	.			trans	56.8	13.6	175.9	-63.8	-26.2	0	0	0	116.5	G193 L194 L195 P318 V319 D321 F324	N191-G193 VanDerWaalsContact C-N 3.25Å; N191-G193 PolarHBondContact O-N 2.99Å; N191-L194 HydrophobicContact CB-CD1 4.39Å; N191-L194 WeakPolarHBondContact O-CA 3.48Å; N191-L194 WeakPolarHBondContact O-CB 3.27Å; N191-L194 PolarHBondContact O-N 2.84Å; N191-L195 PolarHBondContact O-N 3.05Å; N191-P318 WeakPolarHBondContact OD1-CA 3.36Å; N191-V319 PolarHBondContact ND2-O 3.27Å; N191-V319 PolarHBondContact OD1-N 3.39Å; N191-D321 VanDerWaalsContact ND2-CG 3.25Å; N191-D321 PolarHBondContact ND2-OD2 2.91Å; N191-F324 HydrophobicContact CB-CB 4.37Å
192	V	98.9	Very high	97.5	Very high	1 Å²	1	24 Å²	24	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-67.7	-26.2	-175	-56.6	0	0	0	0	112.8	F68 P70 G178 P189 G190 L195 D196	F68-V192 WeakPolarHBondContact O-CG1 3.45Å; P70-V192 HydrophobicContact CG-CG1 4.31Å; G178-V192 WeakPolarHBondContact O-CG2 3.46Å; G178-V192 PolarHBondContact O-N 3.11Å; P189-V192 HydrophobicContact CG-CG1 4.05Å; G190-V192 PolarHBondContact O-N 3.21Å; V192-L195 HydrophobicContact CG1-CD1 4.44Å; V192-L195 CarbonylContact O-C 3.52Å; V192-L195 WeakPolarHBondContact O-CB 3.25Å; V192-L195 PolarHBondContact O-N 3.09Å; V192-D196 PolarHBondContact O-N 2.99Å; V192-D196 VanDerWaalsContact O-OD1 3.13Å
193	G	98.9	Very high	97.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-40.9	167.4	0	0	0	0	0	113	R173 G178 N191 L195 D196 Q197	R173-G193 WeakPolarHBondContact O-CA 3.43Å; G178-G193 PolarHBondContact O-N 2.88Å; N191-G193 VanDerWaalsContact C-N 3.25Å; N191-G193 PolarHBondContact O-N 2.99Å; G193-L195 VanDerWaalsContact C-N 3.3Å; G193-L195 PolarHBondContact O-N 2.7Å; G193-D196 WeakPolarHBondContact O-CB 3.15Å; G193-D196 PolarHBondContact O-N 3.31Å; G193-Q197 WeakPolarHBondContact O-CG 3.37Å; G193-Q197 PolarHBondContact O-N 3.4Å; G193-Q197 VanDerWaalsContact O-N 3.13Å
194	L	98.9	Very high	97.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-69.1	-30	172.8	-67.1	173.8	0	0	0	112.1	F179 N191 Q197 R198 S229 F232 P318 F324	F179-L194 HydrophobicContact CE1-CG 4.1Å; N191-L194 HydrophobicContact CB-CD1 4.39Å; N191-L194 WeakPolarHBondContact O-CA 3.48Å; N191-L194 WeakPolarHBondContact O-CB 3.27Å; N191-L194 PolarHBondContact O-N 2.84Å; L194-Q197 PolarHBondContact O-N 2.79Å; L194-R198 WeakPolarHBondContact O-CB 3.4Å; L194-R198 PolarHBondContact O-N 2.81Å; L194-S229 VanDerWaalsContact CD2-OG 3.3Å; L194-S229 WeakPolarHBondContact CD2-OG 3.24Å; L194-F232 HydrophobicContact CD1-CB 4.29Å; L194-F232 HydrophobicContact CD1-CD2 4.24Å; L194-F232 HydrophobicContact CD1-CG 4.36Å; L194-F232 HydrophobicContact CD2-CB 4.32Å; L194-F232 HydrophobicContact CD2-CD2 4.17Å; L194-P318 HydrophobicContact CD1-CB 3.87Å; L194-P318 HydrophobicContact CD1-CG 3.79Å; L194-P318 HydrophobicContact CG-CG 4.25Å; L194-F324 HydrophobicContact CB-CD2 3.96Å; L194-F324 HydrophobicContact CB-CE1 4.17Å; L194-F324 HydrophobicContact CB-CE2 3.42Å; L194-F324 VanDerWaalsContact CB-CE2 3.42Å; L194-F324 HydrophobicContact CB-CZ 3.56Å; L194-F324 HydrophobicContact CD1-CD1 3.96Å; L194-F324 HydrophobicContact CD1-CE1 3.74Å; L194-F324 HydrophobicContact CD1-CE2 4.42Å; L194-F324 HydrophobicContact CD1-CG 4.44Å; L194-F324 HydrophobicContact CD1-CZ 4.02Å; L194-F324 HydrophobicContact CG-CE1 4.45Å; L194-F324 HydrophobicContact CG-CE2 4.49Å; L194-F324 HydrophobicContact CG-CZ 4.24Å
195	L	98.9	Very high	98.3	Very high	39 Å²	39	19 Å²	19	20%	0.204	10%	0.101	C	C	.	.	H	α-helix	trans	-71.2	-33.1	172.8	-63.3	176.3	0	0	0	112	P70 P71 N191 V192 G193 R198 L199 F324	P70-L195 HydrophobicContact CB-CD1 3.92Å; P70-L195 HydrophobicContact CG-CD1 4.1Å; P71-L195 HydrophobicContact CG-CB 4.06Å; N191-L195 PolarHBondContact O-N 3.05Å; V192-L195 HydrophobicContact CG1-CD1 4.44Å; V192-L195 CarbonylContact O-C 3.52Å; V192-L195 WeakPolarHBondContact O-CB 3.25Å; V192-L195 PolarHBondContact O-N 3.09Å; G193-L195 VanDerWaalsContact C-N 3.3Å; G193-L195 PolarHBondContact O-N 2.7Å; L195-R198 PolarHBondContact O-N 2.85Å; L195-L199 WeakPolarHBondContact O-CB 3.38Å; L195-L199 PolarHBondContact O-N 3.17Å; L195-F324 HydrophobicContact CD2-CD2 3.72Å; L195-F324 HydrophobicContact CD2-CE2 4.13Å; L195-F324 HydrophobicContact CG-CD2 4.32Å
196	D	99	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.6	-48.3	170.8	-59.7	-23.8	0	0	0	109.9	F58 P71 L118 R173 V192 G193 R198 L199 A200	F58-D196 HydrophobicContact CE2-CB 4.42Å; F58-D196 VanDerWaalsContact CE2-O 3.31Å; F58-D196 WeakPolarHBondContact CE2-O 3.24Å; F58-D196 HydrophobicContact CZ-CB 4.47Å; P71-D196 WeakPolarHBondContact CB-OD1 3.21Å; P71-D196 WeakPolarHBondContact CG-OD1 3.37Å; L118-D196 HydrophobicContact CD2-CB 3.93Å; L118-D196 WeakPolarHBondContact CD2-OD2 3.26Å; R173-D196 VanDerWaalsContact CB-OD2 3.28Å; R173-D196 WeakPolarHBondContact CB-OD2 3.33Å; R173-D196 WeakPolarHBondContact CG-OD2 3.39Å; R173-D196 IonicContact CZ-OD1 3.8Å; R173-D196 IonicContact CZ-OD2 2.7Å; R173-D196 PolarHBondContact N-OD2 3.24Å; R173-D196 IonicContact NE-OD1 2.74Å; R173-D196 PolarHBondContact NE-OD1 2.87Å; R173-D196 IonicContact NE-OD2 3.39Å; R173-D196 PolarHBondContact NE-OD2 2.94Å; R173-D196 IonicContact NH2-OD1 3.12Å; R173-D196 PolarHBondContact NH2-OD1 3.42Å; R173-D196 IonicContact NH2-OD2 2.88Å; V192-D196 PolarHBondContact O-N 2.99Å; V192-D196 VanDerWaalsContact O-OD1 3.13Å; G193-D196 WeakPolarHBondContact O-CB 3.15Å; G193-D196 PolarHBondContact O-N 3.31Å; D196-R198 PolarHBondContact O-N 3.17Å; D196-L199 PolarHBondContact O-N 2.85Å; D196-A200 PolarHBondContact O-N 2.86Å
197	Q	99	Very high	98.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-58.2	-47.5	176	-63.8	171.4	5.1	0	0	111.3	I139 M170 Y172 G193 L194 L199 A200 L201 S229 H233	I139-Q197 HydrophobicContact CG2-CG 4.31Å; M170-Q197 VanDerWaalsContact SD-CA 3.57Å; M170-Q197 HydrophobicContact SD-CB 3.95Å; M170-Q197 HydrophobicContact SD-CG 4.1Å; Y172-Q197 HydrophobicContact CD1-CG 3.86Å; Y172-Q197 VanDerWaalsContact CD1-NE2 3.25Å; Y172-Q197 HydrophobicContact CD2-CG 4.34Å; Y172-Q197 VanDerWaalsContact CE1-NE2 3.28Å; Y172-Q197 VanDerWaalsContact CE2-NE2 3.25Å; Y172-Q197 HydrophobicContact CG-CG 3.7Å; Y172-Q197 VanDerWaalsContact CZ-NE2 3.3Å; G193-Q197 WeakPolarHBondContact O-CG 3.37Å; G193-Q197 PolarHBondContact O-N 3.4Å; G193-Q197 VanDerWaalsContact O-N 3.13Å; L194-Q197 PolarHBondContact O-N 2.79Å; Q197-L199 VanDerWaalsContact C-N 3.31Å; Q197-L199 PolarHBondContact O-N 3.19Å; Q197-A200 PolarHBondContact O-N 2.92Å; Q197-L201 WeakPolarHBondContact O-CG 3.41Å; Q197-L201 PolarHBondContact O-N 3.34Å; Q197-S229 VanDerWaalsContact CD-OG 3.28Å; Q197-S229 PolarHBondContact NE2-OG 3.45Å; Q197-S229 PolarHBondContact OE1-OG 2.79Å; Q197-H233 VanDerWaalsContact CB-NE2 3.34Å; Q197-H233 WeakPolarHBondContact CB-NE2 3.19Å; Q197-H233 PolarHBondContact OE1-NE2 2.91Å
198	R	98.9	Very high	98.6	Very high	34 Å²	34	17 Å²	17	13%	0.128	8%	0.081	C	C	.	.	H	α-helix	trans	-59	-41.1	177.1	-170.4	-169.6	-61.8	-169.2	-4.6	112	L194 L195 D196 L201 K202 S236 D238 S239 F242	L194-R198 WeakPolarHBondContact O-CB 3.4Å; L194-R198 PolarHBondContact O-N 2.81Å; L195-R198 PolarHBondContact O-N 2.85Å; D196-R198 PolarHBondContact O-N 3.17Å; R198-L201 PolarHBondContact O-N 2.8Å; R198-K202 PolarHBondContact O-N 2.82Å; R198-S236 PolarHBondContact NH2-OG 3.36Å; R198-D238 IonicContact NH1-OD2 3.21Å; R198-D238 PolarHBondContact NH1-OD2 2.86Å; R198-S239 PolarHBondContact NE-OG 2.84Å; R198-S239 VanDerWaalsContact NE-OG 3.17Å; R198-F242 HydrophobicContact CG-CD2 4.17Å; R198-F242 HydrophobicContact CG-CE2 3.97Å
199	L	98.9	Very high	98.6	Very high	21 Å²	21	22.1 Å²	22.1	11%	0.11	11%	0.105	C	C	.	.	H	α-helix	trans	-68.4	-39	179.2	-178.4	61	0	0	0	111.9	F58 A59 P71 P73 L195 D196 Q197 K202 W203	F58-L199 HydrophobicContact CD2-CB 4.33Å; F58-L199 HydrophobicContact CD2-CD2 4.22Å; F58-L199 HydrophobicContact CD2-CG 4.06Å; F58-L199 HydrophobicContact CE2-CB 4.47Å; A59-L199 HydrophobicContact CB-CD2 3.69Å; P71-L199 HydrophobicContact CB-CD2 3.74Å; P71-L199 HydrophobicContact CG-CB 4.29Å; P71-L199 HydrophobicContact CG-CD2 3.96Å; P73-L199 HydrophobicContact CB-CD1 4.22Å; P73-L199 HydrophobicContact CG-CD1 3.93Å; L195-L199 WeakPolarHBondContact O-CB 3.38Å; L195-L199 PolarHBondContact O-N 3.17Å; D196-L199 PolarHBondContact O-N 2.85Å; Q197-L199 VanDerWaalsContact C-N 3.31Å; Q197-L199 PolarHBondContact O-N 3.19Å; L199-K202 WeakPolarHBondContact O-CB 3.45Å; L199-K202 PolarHBondContact O-N 2.86Å; L199-W203 PolarHBondContact O-N 2.94Å
200	A	98.9	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.6	-41.3	172.1	0	0	0	0	0	111.9	F58 L120 M170 D196 Q197 K202 W203 V204	F58-A200 HydrophobicContact CD1-CB 3.92Å; F58-A200 HydrophobicContact CD2-CB 3.92Å; F58-A200 HydrophobicContact CE1-CB 3.93Å; F58-A200 HydrophobicContact CE2-CB 3.95Å; F58-A200 HydrophobicContact CG-CB 3.92Å; F58-A200 HydrophobicContact CZ-CB 3.94Å; L120-A200 HydrophobicContact CD2-CB 4.43Å; M170-A200 HydrophobicContact CB-CB 4.04Å; M170-A200 HydrophobicContact CE-CB 3.63Å; M170-A200 HydrophobicContact CG-CB 4.42Å; M170-A200 HydrophobicContact SD-CB 3.52Å; M170-A200 VanDerWaalsContact SD-CB 3.52Å; D196-A200 PolarHBondContact O-N 2.86Å; Q197-A200 PolarHBondContact O-N 2.92Å; A200-K202 VanDerWaalsContact C-N 3.34Å; A200-K202 PolarHBondContact O-N 3.18Å; A200-W203 WeakPolarHBondContact O-CB 3.39Å; A200-W203 PolarHBondContact O-N 3.41Å; A200-W203 VanDerWaalsContact O-N 3.16Å; A200-V204 WeakPolarHBondContact O-CG2 3.42Å; A200-V204 PolarHBondContact O-N 3.47Å
201	L	98.9	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.1	-40.4	173.8	-66.4	176.6	0	0	0	112.2	V137 M170 Q197 R198 W203 V204 Q205 I220 F242	V137-L201 HydrophobicContact CB-CD2 4.31Å; V137-L201 HydrophobicContact CG1-CD2 3.95Å; M170-L201 HydrophobicContact CE-CD2 3.81Å; M170-L201 HydrophobicContact CE-CG 4.08Å; Q197-L201 WeakPolarHBondContact O-CG 3.41Å; Q197-L201 PolarHBondContact O-N 3.34Å; R198-L201 PolarHBondContact O-N 2.8Å; L201-W203 VanDerWaalsContact C-N 3.35Å; L201-V204 PolarHBondContact O-N 2.86Å; L201-Q205 WeakPolarHBondContact O-CG 3.28Å; L201-Q205 PolarHBondContact O-N 3.01Å; L201-I220 HydrophobicContact CD1-CG2 4.2Å; L201-I220 HydrophobicContact CD2-CG2 3.43Å; L201-I220 VanDerWaalsContact CD2-CG2 3.43Å; L201-I220 HydrophobicContact CG-CG2 4.48Å; L201-F242 HydrophobicContact CB-CB 3.88Å
202	K	98.8	Very high	98.2	Very high	84 Å²	84	22 Å²	22	37%	0.365	11%	0.106	S	C	.	.	H	α-helix	trans	-61.9	-42.9	172.4	-178.8	177.1	174.5	179.9	0	111.4	R198 L199 A200 V204 Q205 E206 F242	R198-K202 PolarHBondContact O-N 2.82Å; L199-K202 WeakPolarHBondContact O-CB 3.45Å; L199-K202 PolarHBondContact O-N 2.86Å; A200-K202 VanDerWaalsContact C-N 3.34Å; A200-K202 PolarHBondContact O-N 3.18Å; K202-V204 VanDerWaalsContact C-N 3.33Å; K202-V204 PolarHBondContact O-N 2.73Å; K202-Q205 WeakPolarHBondContact O-CB 3.41Å; K202-Q205 PolarHBondContact O-N 2.57Å; K202-E206 WeakPolarHBondContact CE-OE1 3.38Å; K202-E206 WeakPolarHBondContact O-CG 3.44Å; K202-E206 PolarHBondContact O-N 3.28Å; K202-F242 HydrophobicContact CB-CD1 4.32Å; K202-F242 HydrophobicContact CB-CE1 4.02Å; K202-F242 HydrophobicContact CB-CE2 4.5Å; K202-F242 HydrophobicContact CB-CZ 4.12Å; K202-F242 HydrophobicContact CD-CE1 4.49Å; K202-F242 HydrophobicContact CD-CZ 4.31Å; K202-F242 HydrophobicContact CG-CE1 3.99Å; K202-F242 HydrophobicContact CG-CZ 4.22Å
203	W	98.8	Very high	98.1	Very high	8 Å²	8	22.2 Å²	22.2	3%	0.03	11%	0.107	C	C	.	.	H	α-helix	trans	-59.5	-43.4	175	-172.5	101.1	0	0	0	111.5	T32 I56 F58 L120 I122 L199 A200 L201 Q205 E206 N207 F211	T32-W203 HydrophobicContact CG2-CH2 4.39Å; T32-W203 HydrophobicContact CG2-CZ2 4.12Å; I56-W203 HydrophobicContact CD1-CH2 4.05Å; I56-W203 HydrophobicContact CG2-CH2 4.16Å; I56-W203 HydrophobicContact CG2-CZ2 3.66Å; F58-W203 HydrophobicContact CB-CB 4.03Å; F58-W203 HydrophobicContact CB-CG 3.98Å; L120-W203 HydrophobicContact CD1-CE3 4.1Å; L120-W203 HydrophobicContact CD1-CH2 4.18Å; L120-W203 HydrophobicContact CD1-CZ3 3.79Å; L120-W203 HydrophobicContact CD2-CB 4.49Å; L120-W203 HydrophobicContact CD2-CD2 3.9Å; L120-W203 HydrophobicContact CD2-CE3 3.53Å; L120-W203 HydrophobicContact CD2-CG 4.31Å; L120-W203 HydrophobicContact CD2-CZ3 4.1Å; L120-W203 HydrophobicContact CG-CE3 4.43Å; I122-W203 HydrophobicContact CD1-CH2 3.9Å; I122-W203 HydrophobicContact CD1-CZ3 3.75Å; L199-W203 PolarHBondContact O-N 2.94Å; A200-W203 WeakPolarHBondContact O-CB 3.39Å; A200-W203 PolarHBondContact O-N 3.41Å; A200-W203 VanDerWaalsContact O-N 3.16Å; L201-W203 VanDerWaalsContact C-N 3.35Å; W203-Q205 VanDerWaalsContact C-N 3.35Å; W203-Q205 PolarHBondContact O-N 3.07Å; W203-E206 PolarHBondContact O-N 2.86Å; W203-N207 HydrophobicContact CD2-CB 4.09Å; W203-N207 HydrophobicContact CE3-CB 4.01Å; W203-N207 HydrophobicContact CH2-CB 3.78Å; W203-N207 HydrophobicContact CZ2-CB 3.84Å; W203-N207 HydrophobicContact CZ3-CB 3.85Å; W203-N207 WeakPolarHBondContact O-CB 3.42Å; W203-N207 PolarHBondContact O-N 3.32Å; W203-N207 PolarHBondContact O-ND2 3.01Å; W203-F211 AromaticContact CH2-CE2 3.65Å; W203-F211 HydrophobicContact CH2-CE2 3.65Å; W203-F211 AromaticContact CH2-CZ 3.97Å; W203-F211 HydrophobicContact CH2-CZ 3.97Å; W203-F211 HydrophobicContact CZ3-CE2 4.29Å
204	V	98.8	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.9	-47	175.7	169.8	0	0	0	0	110.5	V135 V137 V168 A200 L201 K202 E206 N207 I208 V218	V135-V204 HydrophobicContact CG1-CG1 4.18Å; V137-V204 HydrophobicContact CG2-CG1 4.24Å; V137-V204 HydrophobicContact CG2-CG2 4.4Å; V168-V204 HydrophobicContact CG1-CG2 4.1Å; A200-V204 WeakPolarHBondContact O-CG2 3.42Å; A200-V204 PolarHBondContact O-N 3.47Å; L201-V204 PolarHBondContact O-N 2.86Å; K202-V204 VanDerWaalsContact C-N 3.33Å; K202-V204 PolarHBondContact O-N 2.73Å; V204-E206 VanDerWaalsContact C-N 3.28Å; V204-E206 PolarHBondContact O-N 2.99Å; V204-N207 PolarHBondContact O-N 3.04Å; V204-I208 HydrophobicContact CG1-CB 3.92Å; V204-I208 HydrophobicContact CG1-CG1 4.21Å; V204-I208 HydrophobicContact CG1-CG2 4.11Å; V204-I208 WeakPolarHBondContact O-CB 3.02Å; V204-I208 WeakPolarHBondContact O-CG2 3.42Å; V204-I208 PolarHBondContact O-N 3.31Å; V204-V218 HydrophobicContact CG1-CG2 4.2Å
205	Q	98.4	Very high	98	Very high	48 Å²	48	24.6 Å²	24.6	22%	0.224	12%	0.122	C	C	.	.	H	α-helix	trans	-58.4	-39.9	178	-73.5	-70.9	-26.1	0	0	113	L201 K202 W203 P215 F242	L201-Q205 WeakPolarHBondContact O-CG 3.28Å; L201-Q205 PolarHBondContact O-N 3.01Å; K202-Q205 WeakPolarHBondContact O-CB 3.41Å; K202-Q205 PolarHBondContact O-N 2.57Å; W203-Q205 VanDerWaalsContact C-N 3.35Å; W203-Q205 PolarHBondContact O-N 3.07Å; Q205-P215 PolarHBondContact NE2-O 3.12Å; Q205-P215 PolarHBondContact OE1-O 3.45Å; Q205-F242 HydrophobicContact CB-CD1 4.44Å; Q205-F242 HydrophobicContact CG-CB 4.02Å; Q205-F242 HydrophobicContact CG-CD1 3.97Å; Q205-F242 HydrophobicContact CG-CG 4.48Å; Q205-F242 VanDerWaalsContact NE2-C 3.31Å; Q205-F242 PolarHBondContact NE2-O 3.27Å
206	E	98.1	Very high	97.9	Very high	84 Å²	84	31 Å²	31	39%	0.393	15%	0.148	S	C	.	.	H	α-helix	trans	-76.6	-29	-178.9	-70.3	174.1	-176.5	0	0	113.2	K202 W203 V204 H209	K202-E206 WeakPolarHBondContact CE-OE1 3.38Å; K202-E206 WeakPolarHBondContact O-CG 3.44Å; K202-E206 PolarHBondContact O-N 3.28Å; W203-E206 PolarHBondContact O-N 2.86Å; V204-E206 VanDerWaalsContact C-N 3.28Å; V204-E206 PolarHBondContact O-N 2.99Å; E206-H209 PolarHBondContact O-CE1 3.41Å; E206-H209 PolarHBondContact O-ND1 3.05Å
207	N	98.5	Very high	97.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-123.1	-21.6	-164	-62.2	-76.1	0	0	0	115.6	T32 H33 W203 V204 H209 S210 F211	T32-N207 WeakPolarHBondContact CB-OD1 3.22Å; H33-N207 VanDerWaalsContact CB-OD1 3.25Å; H33-N207 WeakPolarHBondContact CB-OD1 3.45Å; H33-N207 PolarHBondContact N-OD1 2.85Å; W203-N207 HydrophobicContact CD2-CB 4.09Å; W203-N207 HydrophobicContact CE3-CB 4.01Å; W203-N207 HydrophobicContact CH2-CB 3.78Å; W203-N207 HydrophobicContact CZ2-CB 3.84Å; W203-N207 HydrophobicContact CZ3-CB 3.85Å; W203-N207 WeakPolarHBondContact O-CB 3.42Å; W203-N207 PolarHBondContact O-N 3.32Å; W203-N207 PolarHBondContact O-ND2 3.01Å; V204-N207 PolarHBondContact O-N 3.04Å; N207-H209 PolarHBondContact O-N 2.84Å; N207-S210 WeakPolarHBondContact O-CB 3.22Å; N207-S210 PolarHBondContact O-N 3.36Å; N207-F211 WeakPolarHBondContact O-CD2 3.42Å
208	I	98.1	Very high	97.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-65.2	-22.1	-168.2	-155.1	63.8	0	0	0	113.6	I122 V135 I166 V168 V204 S210 F211 G212 G213 P215	I122-I208 HydrophobicContact CD1-CD1 4.18Å; I122-I208 HydrophobicContact CG2-CD1 4.32Å; V135-I208 HydrophobicContact CB-CG1 4.47Å; V135-I208 HydrophobicContact CG1-CD1 4.38Å; V135-I208 HydrophobicContact CG1-CG1 3.93Å; V135-I208 HydrophobicContact CG2-CG1 3.67Å; V135-I208 HydrophobicContact CG2-CG2 4.1Å; I166-I208 HydrophobicContact CG2-CD1 4Å; I166-I208 HydrophobicContact CG2-CG1 4.47Å; V168-I208 HydrophobicContact CG2-CD1 3.9Å; V204-I208 HydrophobicContact CG1-CB 3.92Å; V204-I208 HydrophobicContact CG1-CG1 4.21Å; V204-I208 HydrophobicContact CG1-CG2 4.11Å; V204-I208 WeakPolarHBondContact O-CB 3.02Å; V204-I208 WeakPolarHBondContact O-CG2 3.42Å; V204-I208 PolarHBondContact O-N 3.31Å; I208-S210 VanDerWaalsContact C-N 3.27Å; I208-S210 PolarHBondContact O-N 3.18Å; I208-F211 HydrophobicContact CD1-CB 4.29Å; I208-F211 HydrophobicContact CD1-CD2 4.35Å; I208-F211 WeakPolarHBondContact O-CA 3.12Å; I208-F211 WeakPolarHBondContact O-CB 3.32Å; I208-F211 PolarHBondContact O-N 2.77Å; I208-G212 PolarHBondContact O-N 2.9Å; I208-G213 WeakPolarHBondContact O-CA 3.46Å; I208-G213 PolarHBondContact O-N 2.85Å; I208-P215 HydrophobicContact CG2-CB 4.1Å
209	H	96.6	Very high	97.9	Very high	108 Å²	108	31.9 Å²	31.9	50%	0.5	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-60.7	-34.6	174.2	71.7	-83.2	0	0	0	112.8	E206 N207 F211 G212 G213	E206-H209 PolarHBondContact O-CE1 3.41Å; E206-H209 PolarHBondContact O-ND1 3.05Å; N207-H209 PolarHBondContact O-N 2.84Å; H209-F211 PolarHBondContact O-N 2.97Å; H209-G212 PolarHBondContact O-N 3.19Å; H209-G213 VanDerWaalsContact CA-O 3.28Å; H209-G213 WeakPolarHBondContact CA-O 3.49Å
210	S	95.4	Very high	97.9	Very high	34 Å²	34	30.9 Å²	30.9	24%	0.238	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-64.8	-23.6	174.2	-58.7	0	0	0	0	112.7	V30 N31 R129 N207 I208	V30-S210 VanDerWaalsContact CG1-CB 3.49Å; V30-S210 WeakPolarHBondContact CG1-O 3.32Å; N31-S210 WeakPolarHBondContact O-CB 3.41Å; N31-S210 PolarHBondContact O-OG 3.39Å; R129-S210 PolarHBondContact NH1-O 3.35Å; N207-S210 WeakPolarHBondContact O-CB 3.22Å; N207-S210 PolarHBondContact O-N 3.36Å; I208-S210 VanDerWaalsContact C-N 3.27Å; I208-S210 PolarHBondContact O-N 3.18Å
211	F	95.6	Very high	97.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-91.5	3.4	176.2	-60.1	-93.7	0	0	0	112.8	V30 T32 F53 I56 I122 V124 I166 W203 N207 I208 H209	V30-F211 HydrophobicContact CB-CD1 4.38Å; V30-F211 HydrophobicContact CB-CE1 3.97Å; V30-F211 HydrophobicContact CB-CZ 4.21Å; V30-F211 HydrophobicContact CG1-CD1 4.04Å; V30-F211 HydrophobicContact CG1-CD2 4.12Å; V30-F211 HydrophobicContact CG1-CE1 3.82Å; V30-F211 HydrophobicContact CG1-CE2 3.92Å; V30-F211 HydrophobicContact CG1-CG 4.18Å; V30-F211 HydrophobicContact CG1-CZ 3.76Å; V30-F211 HydrophobicContact CG2-CD1 4.1Å; V30-F211 HydrophobicContact CG2-CE1 4.06Å; T32-F211 HydrophobicContact CG2-CE2 3.69Å; T32-F211 HydrophobicContact CG2-CZ 3.72Å; F53-F211 HydrophobicContact CB-CE1 4.33Å; F53-F211 AromaticContact CD1-CE1 3.84Å; F53-F211 HydrophobicContact CD1-CE1 3.84Å; F53-F211 AromaticContact CD2-CD1 3.8Å; F53-F211 HydrophobicContact CD2-CD1 3.8Å; F53-F211 AromaticContact CD2-CE1 3.79Å; F53-F211 HydrophobicContact CD2-CE1 3.79Å; F53-F211 HydrophobicContact CE1-CD1 4.47Å; F53-F211 HydrophobicContact CE1-CE1 4.02Å; F53-F211 AromaticContact CE2-CD1 3.74Å; F53-F211 HydrophobicContact CE2-CD1 3.74Å; F53-F211 HydrophobicContact CE2-CE1 4Å; F53-F211 HydrophobicContact CG-CD1 4.22Å; F53-F211 AromaticContact CG-CE1 3.72Å; F53-F211 HydrophobicContact CG-CE1 3.72Å; F53-F211 HydrophobicContact CZ-CD1 4.1Å; F53-F211 HydrophobicContact CZ-CE1 4.12Å; I56-F211 HydrophobicContact CD1-CE1 4.28Å; I56-F211 HydrophobicContact CD1-CZ 3.97Å; I122-F211 HydrophobicContact CD1-CD1 4.05Å; I122-F211 HydrophobicContact CD1-CD2 4.12Å; I122-F211 HydrophobicContact CD1-CE1 3.87Å; I122-F211 HydrophobicContact CD1-CE2 3.94Å; I122-F211 HydrophobicContact CD1-CG 4.18Å; I122-F211 HydrophobicContact CD1-CZ 3.81Å; I122-F211 HydrophobicContact CG2-CD1 4.35Å; V124-F211 WeakPolarHBondContact CG1-O 3.48Å; V124-F211 HydrophobicContact CG2-CB 4.16Å; V124-F211 HydrophobicContact CG2-CD1 4.43Å; I166-F211 HydrophobicContact CD1-CB 4.29Å; I166-F211 VanDerWaalsContact CD1-O 3.27Å; I166-F211 WeakPolarHBondContact CD1-O 3.37Å; W203-F211 AromaticContact CH2-CE2 3.65Å; W203-F211 HydrophobicContact CH2-CE2 3.65Å; W203-F211 AromaticContact CH2-CZ 3.97Å; W203-F211 HydrophobicContact CH2-CZ 3.97Å; W203-F211 HydrophobicContact CZ3-CE2 4.29Å; N207-F211 WeakPolarHBondContact O-CD2 3.42Å; I208-F211 HydrophobicContact CD1-CB 4.29Å; I208-F211 HydrophobicContact CD1-CD2 4.35Å; I208-F211 WeakPolarHBondContact O-CA 3.12Å; I208-F211 WeakPolarHBondContact O-CB 3.32Å; I208-F211 PolarHBondContact O-N 2.77Å; H209-F211 PolarHBondContact O-N 2.97Å
212	G	95.6	Very high	97.9	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.021	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	2	-176.7	0	0	0	0	0	114.4	H131 N132 L133 I208 H209	H131-G212 CarbonylContact C-O 3.37Å; N132-G212 PolarHBondContact N-O 2.6Å; L133-G212 PolarHBondContact N-O 3.28Å; I208-G212 PolarHBondContact O-N 2.9Å; H209-G212 PolarHBondContact O-N 3.19Å
213	G	97.5	Very high	97.9	Very high	4 Å²	4	27.2 Å²	27.2	4%	0.041	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	155.7	-179.6	0	0	0	0	0	113.6	L133 I166 I208 H209 P215	L133-G213 CarbonylContact O-C 3.52Å; I166-G213 VanDerWaalsContact CD1-CA 3.45Å; I208-G213 WeakPolarHBondContact O-CA 3.46Å; I208-G213 PolarHBondContact O-N 2.85Å; H209-G213 VanDerWaalsContact CA-O 3.28Å; H209-G213 WeakPolarHBondContact CA-O 3.49Å; G213-P215 WeakPolarHBondContact O-CD 3.34Å
214	N	98	Very high	97.9	Very high	20 Å²	20	27 Å²	27	11%	0.107	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	108.5	172.4	-176.9	-1	0	0	0	109.7	N132 L133 K216 Q217	N132-N214 VanDerWaalsContact OD1-CB 3.3Å; N132-N214 WeakPolarHBondContact OD1-CB 3.32Å; N132-N214 PolarHBondContact OD1-ND2 3.35Å; L133-N214 WeakPolarHBondContact O-CB 3.49Å; L133-N214 PolarHBondContact O-N 3.22Å; N214-K216 PolarHBondContact O-N 3.26Å; N214-K216 VanDerWaalsContact OD1-CB 3.32Å; N214-K216 WeakPolarHBondContact OD1-CB 3.43Å; N214-K216 PolarHBondContact OD1-N 3.49Å; N214-Q217 HydrophobicContact CB-CB 4.2Å; N214-Q217 WeakPolarHBondContact ND2-CG 3.38Å; N214-Q217 PolarHBondContact ND2-OE1 3.26Å; N214-Q217 CarbonylContact O-C 3.56Å; N214-Q217 PolarHBondContact O-N 2.81Å
215	P	97.5	Very high	97.9	Very high	31 Å²	31	27 Å²	27	20%	0.201	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	-17.1	178	25.2	-33.5	0	0	0	113.1	Q205 I208 G213 V218	Q205-P215 PolarHBondContact NE2-O 3.12Å; Q205-P215 PolarHBondContact OE1-O 3.45Å; I208-P215 HydrophobicContact CG2-CB 4.1Å; G213-P215 WeakPolarHBondContact O-CD 3.34Å; P215-V218 WeakPolarHBondContact O-CG2 3.39Å
216	K	97.3	Very high	97.9	Very high	172 Å²	172	24.7 Å²	24.7	75%	0.748	12%	0.122	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	-4.4	174.9	-55.5	-178.6	179	179.1	0	113.8	N214 T244	N214-K216 PolarHBondContact O-N 3.26Å; N214-K216 VanDerWaalsContact OD1-CB 3.32Å; N214-K216 WeakPolarHBondContact OD1-CB 3.43Å; N214-K216 PolarHBondContact OD1-N 3.49Å; K216-T244 PolarHBondContact O-OG1 2.85Å
217	Q	97.3	Very high	97.9	Very high	54 Å²	54	20.7 Å²	20.7	25%	0.252	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	57.1	176.8	-71.9	-178.5	-50.5	0	0	110.4	V135 N214 R519	V135-Q217 PolarHBondContact N-O 2.95Å; N214-Q217 HydrophobicContact CB-CB 4.2Å; N214-Q217 WeakPolarHBondContact ND2-CG 3.38Å; N214-Q217 PolarHBondContact ND2-OE1 3.26Å; N214-Q217 CarbonylContact O-C 3.56Å; N214-Q217 PolarHBondContact O-N 2.81Å; Q217-R519 PolarHBondContact NE2-O 3Å; Q217-R519 VanDerWaalsContact NE2-O 3.12Å
218	V	98.8	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.8	176.1	175.6	0	0	0	0	109	V135 V137 V204 P215 F243 T244 R245	V135-V218 HydrophobicContact CB-CG2 4.08Å; V135-V218 HydrophobicContact CG1-CG2 4.48Å; V135-V218 CarbonylContact O-C 3.5Å; V135-V218 WeakPolarHBondContact O-CA 3.18Å; V137-V218 HydrophobicContact CG2-CG1 3.8Å; V204-V218 HydrophobicContact CG1-CG2 4.2Å; P215-V218 WeakPolarHBondContact O-CG2 3.39Å; V218-F243 HydrophobicContact CB-CB 4.5Å; V218-F243 HydrophobicContact CG1-CB 4.14Å; V218-T244 PolarHBondContact N-OG1 3.11Å; V218-T244 WeakPolarHBondContact O-CA 3.46Å; V218-T244 VanDerWaalsContact O-CB 3.31Å; V218-T244 WeakPolarHBondContact O-CB 3.13Å; V218-T244 PolarHBondContact O-N 2.95Å; V218-R245 PolarHBondContact O-N 3.01Å
219	T	98.9	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.5	173	-59.5	0	0	0	0	108.6	V135 M136 V137 R245 I247 F517 A518	V135-T219 PolarHBondContact O-N 3.05Å; M136-T219 CarbonylContact C-O 3.56Å; M136-T219 VanDerWaalsContact CA-O 3.3Å; M136-T219 WeakPolarHBondContact CA-O 3.46Å; V137-T219 PolarHBondContact N-O 2.73Å; T219-R245 WeakPolarHBondContact CA-O 3.34Å; T219-R245 HydrophobicContact CG2-CB 4.11Å; T219-I247 HydrophobicContact CG2-CD1 4.09Å; T219-I247 HydrophobicContact CG2-CG1 3.9Å; T219-F517 HydrophobicContact CG2-CD1 4.42Å; T219-F517 HydrophobicContact CG2-CE1 4.29Å; T219-A518 HydrophobicContact CG2-CB 4.28Å; T219-A518 VanDerWaalsContact OG1-CA 3.28Å; T219-A518 WeakPolarHBondContact OG1-CA 3.39Å; T219-A518 WeakPolarHBondContact OG1-CB 3.44Å
220	I	98.9	Very high	98.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	138.1	172	57.6	172.1	0	0	0	109	V137 L201 V230 H233 F243 R245 A246 I247	V137-I220 HydrophobicContact CB-CG2 4.29Å; V137-I220 WeakPolarHBondContact O-CA 3.36Å; L201-I220 HydrophobicContact CD1-CG2 4.2Å; L201-I220 HydrophobicContact CD2-CG2 3.43Å; L201-I220 VanDerWaalsContact CD2-CG2 3.43Å; L201-I220 HydrophobicContact CG-CG2 4.48Å; I220-V230 HydrophobicContact CB-CG2 4.25Å; I220-V230 HydrophobicContact CD1-CB 4.26Å; I220-V230 HydrophobicContact CD1-CG1 3.89Å; I220-V230 HydrophobicContact CD1-CG2 4.2Å; I220-V230 HydrophobicContact CG1-CB 4.5Å; I220-V230 HydrophobicContact CG1-CG1 3.89Å; I220-V230 HydrophobicContact CG1-CG2 4.14Å; I220-H233 HydrophobicContact CD1-CB 3.88Å; I220-F243 HydrophobicContact CD1-CD1 3.88Å; I220-F243 HydrophobicContact CD1-CD2 3.83Å; I220-F243 HydrophobicContact CD1-CE1 3.88Å; I220-F243 HydrophobicContact CD1-CE2 3.81Å; I220-F243 HydrophobicContact CD1-CG 3.86Å; I220-F243 HydrophobicContact CD1-CZ 3.83Å; I220-F243 HydrophobicContact CG1-CB 4.39Å; I220-F243 HydrophobicContact CG1-CD2 3.79Å; I220-F243 HydrophobicContact CG1-CE2 4.13Å; I220-F243 HydrophobicContact CG1-CG 3.99Å; I220-F243 HydrophobicContact CG2-CB 3.87Å; I220-F243 HydrophobicContact CG2-CG 4.21Å; I220-R245 PolarHBondContact N-O 2.88Å; I220-A246 HydrophobicContact CG1-CB 4.22Å; I220-A246 CarbonylContact O-C 3.47Å; I220-A246 VanDerWaalsContact O-CA 3.32Å; I220-A246 WeakPolarHBondContact O-CA 3.41Å; I220-I247 PolarHBondContact O-N 2.79Å
221	F	98.9	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.1	178.1	73.5	-57.9	0	0	0	111	M136 V137 W138 I139 L159 I247 V488 F489	M136-F221 HydrophobicContact CB-CD1 4.19Å; M136-F221 HydrophobicContact CB-CE1 3.82Å; M136-F221 HydrophobicContact CE-CD1 4.36Å; M136-F221 HydrophobicContact CE-CD2 4.39Å; M136-F221 HydrophobicContact CE-CE1 4.3Å; M136-F221 HydrophobicContact CE-CE2 4.31Å; M136-F221 HydrophobicContact CE-CG 4.44Å; M136-F221 HydrophobicContact CE-CZ 4.28Å; V137-F221 VanDerWaalsContact C-CD1 3.46Å; V137-F221 VanDerWaalsContact O-CD1 3.3Å; V137-F221 WeakPolarHBondContact O-CD1 3.25Å; V137-F221 PolarHBondContact O-N 3.1Å; W138-F221 CarbonylContact C-O 3.56Å; W138-F221 VanDerWaalsContact CA-O 3.3Å; W138-F221 WeakPolarHBondContact CA-O 3.46Å; W138-F221 HydrophobicContact CB-CD1 4.38Å; W138-F221 HydrophobicContact CB-CE1 3.69Å; W138-F221 HydrophobicContact CB-CZ 3.83Å; W138-F221 HydrophobicContact CD2-CE2 4.3Å; W138-F221 HydrophobicContact CD2-CZ 4.32Å; W138-F221 HydrophobicContact CE3-CD1 4.24Å; W138-F221 AromaticContact CE3-CD2 3.43Å; W138-F221 HydrophobicContact CE3-CD2 3.43Å; W138-F221 VanDerWaalsContact CE3-CD2 3.43Å; W138-F221 HydrophobicContact CE3-CE1 4.17Å; W138-F221 AromaticContact CE3-CE2 3.35Å; W138-F221 HydrophobicContact CE3-CE2 3.35Å; W138-F221 AromaticContact CE3-CG 3.87Å; W138-F221 HydrophobicContact CE3-CG 3.87Å; W138-F221 AromaticContact CE3-CZ 3.74Å; W138-F221 HydrophobicContact CE3-CZ 3.74Å; W138-F221 HydrophobicContact CG-CZ 4.42Å; W138-F221 AromaticContact CZ3-CD2 3.68Å; W138-F221 HydrophobicContact CZ3-CD2 3.68Å; W138-F221 AromaticContact CZ3-CE2 3.82Å; W138-F221 HydrophobicContact CZ3-CE2 3.82Å; W138-F221 HydrophobicContact CZ3-CG 4.38Å; W138-F221 VanDerWaalsContact N-CE1 3.34Å; I139-F221 PolarHBondContact N-O 3.25Å; L159-F221 HydrophobicContact CD2-CZ 4.43Å; F221-I247 WeakPolarHBondContact CA-O 3.48Å; F221-I247 HydrophobicContact CB-CB 3.62Å; F221-I247 HydrophobicContact CB-CD1 4.3Å; F221-I247 HydrophobicContact CB-CG1 4.25Å; F221-I247 HydrophobicContact CB-CG2 4.34Å; F221-V488 HydrophobicContact CE2-CG1 4.13Å; F221-F489 AromaticContact CE2-CE2 3.84Å; F221-F489 HydrophobicContact CE2-CE2 3.84Å; F221-F489 AromaticContact CE2-CZ 3.85Å; F221-F489 HydrophobicContact CE2-CZ 3.85Å; F221-F489 HydrophobicContact CZ-CE1 4.41Å; F221-F489 HydrophobicContact CZ-CE2 4.19Å; F221-F489 AromaticContact CZ-CZ 3.71Å; F221-F489 HydrophobicContact CZ-CZ 3.71Å
222	G	98.9	Very high	98.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	159.7	-177.4	0	0	0	0	0	111.6	I139 G227 I247 Q249	I139-G222 WeakPolarHBondContact O-CA 3.08Å; G222-G227 VanDerWaalsContact C-N 3.28Å; G222-G227 WeakPolarHBondContact O-CA 3.3Å; G222-G227 PolarHBondContact O-N 3.3Å; G222-I247 PolarHBondContact N-O 2.84Å; G222-Q249 PolarHBondContact O-N 2.88Å
223	E	98.9	Very high	98.6	Very high	7 Å²	7	13.9 Å²	13.9	3%	0.033	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147	-179.8	-171.8	-76.7	151.6	0	0	110.9	W138 G141 A225 G226 G227 Q249 H481 G482 E484 I485	W138-E223 HydrophobicContact CH2-CB 3.6Å; W138-E223 HydrophobicContact CZ2-CB 4.35Å; W138-E223 HydrophobicContact CZ3-CB 4.41Å; G141-E223 WeakPolarHBondContact CA-O 3.28Å; G141-E223 PolarHBondContact N-O 2.89Å; E223-A225 PolarHBondContact O-N 3.43Å; E223-G226 VanDerWaalsContact O-CA 3.24Å; E223-G226 WeakPolarHBondContact O-CA 3.3Å; E223-G226 PolarHBondContact O-N 3.26Å; E223-G227 PolarHBondContact O-N 3.38Å; E223-Q249 CarbonylContact C-O 3.56Å; E223-Q249 WeakPolarHBondContact CA-O 3.21Å; E223-Q249 HydrophobicContact CB-CB 3.92Å; E223-Q249 HydrophobicContact CG-CB 3.93Å; E223-H481 IonicContact OE1-CD2 2.78Å; E223-H481 IonicContact OE1-CE1 3.34Å; E223-H481 PolarHBondContact OE1-CE1 3.38Å; E223-H481 VanDerWaalsContact OE1-CE1 3.3Å; E223-H481 IonicContact OE1-CG 3.44Å; E223-H481 IonicContact OE1-ND1 3.63Å; E223-H481 IonicContact OE1-NE2 3.36Å; E223-H481 PolarHBondContact OE1-NE2 2.96Å; E223-G482 PolarHBondContact OE1-N 3.18Å; E223-E484 VanDerWaalsContact CG-OE1 3.28Å; E223-E484 WeakPolarHBondContact CG-OE1 3.35Å; E223-I485 HydrophobicContact CB-CD1 3.72Å; E223-I485 HydrophobicContact CB-CG1 4.01Å; E223-I485 HydrophobicContact CG-CD1 3.67Å; E223-I485 HydrophobicContact CG-CG1 3.86Å
224	S	98.9	Very high	98.6	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.021	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-121.6	179.7	-170.3	0	0	0	0	111.8	G226 G227 A228 Q249 H481	S224-G226 PolarHBondContact O-N 3.35Å; S224-G227 WeakPolarHBondContact O-CA 3.45Å; S224-G227 PolarHBondContact O-N 3.37Å; S224-A228 PolarHBondContact O-N 3.37Å; S224-Q249 PolarHBondContact N-O 2.81Å; S224-H481 WeakPolarHBondContact CB-NE2 3.21Å; S224-H481 PolarHBondContact OG-NE2 3.43Å
225	A	98.9	Very high	98.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-55.5	-31.3	172.7	0	0	0	0	0	113.1	F144 E223 A228 S229 W257	F144-A225 HydrophobicContact CD1-CB 3.93Å; F144-A225 HydrophobicContact CD2-CB 3.94Å; F144-A225 HydrophobicContact CE1-CB 3.86Å; F144-A225 WeakPolarHBondContact CE1-O 3.1Å; F144-A225 HydrophobicContact CE2-CB 3.88Å; F144-A225 HydrophobicContact CG-CB 3.97Å; F144-A225 HydrophobicContact CZ-CB 3.84Å; F144-A225 WeakPolarHBondContact CZ-O 3.14Å; E223-A225 PolarHBondContact O-N 3.43Å; A225-A228 PolarHBondContact O-N 2.9Å; A225-S229 WeakPolarHBondContact O-CB 3.45Å; A225-S229 PolarHBondContact O-N 3.37Å; A225-W257 HydrophobicContact CB-CZ3 4.13Å
226	G	98.9	Very high	98.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67.2	-39.6	171.6	0	0	0	0	0	112.6	I139 Y140 E223 S224 S229 V230	I139-G226 WeakPolarHBondContact O-CA 3.27Å; Y140-G226 WeakPolarHBondContact O-CA 3.33Å; Y140-G226 PolarHBondContact O-N 3.11Å; E223-G226 VanDerWaalsContact O-CA 3.24Å; E223-G226 WeakPolarHBondContact O-CA 3.3Å; E223-G226 PolarHBondContact O-N 3.26Å; S224-G226 PolarHBondContact O-N 3.35Å; G226-S229 VanDerWaalsContact O-CB 3.3Å; G226-S229 WeakPolarHBondContact O-CB 3.38Å; G226-S229 PolarHBondContact O-N 3.27Å; G226-V230 WeakPolarHBondContact O-CG2 3.29Å; G226-V230 PolarHBondContact O-N 2.83Å
227	G	98.9	Very high	98.7	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-64.7	-43.6	172.1	0	0	0	0	0	111.9	G222 E223 S224 S229 V230 G231 L248 G251	G222-G227 VanDerWaalsContact C-N 3.28Å; G222-G227 WeakPolarHBondContact O-CA 3.3Å; G222-G227 PolarHBondContact O-N 3.3Å; E223-G227 PolarHBondContact O-N 3.38Å; S224-G227 WeakPolarHBondContact O-CA 3.45Å; S224-G227 PolarHBondContact O-N 3.37Å; G227-S229 VanDerWaalsContact C-N 3.35Å; G227-S229 PolarHBondContact O-N 3.45Å; G227-V230 WeakPolarHBondContact O-CB 3.36Å; G227-V230 PolarHBondContact O-N 2.87Å; G227-G231 PolarHBondContact O-N 3.08Å; G227-L248 WeakPolarHBondContact O-CD2 3.26Å; G227-G251 CarbonylContact C-O 3.58Å; G227-G251 WeakPolarHBondContact CA-O 3.3Å
228	A	98.9	Very high	98.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60.4	-42.9	171.8	0	0	0	0	0	111.9	F144 S224 A225 G231 F232 W257 A258	F144-A228 HydrophobicContact CE2-CB 4.47Å; F144-A228 HydrophobicContact CZ-CB 4.05Å; S224-A228 PolarHBondContact O-N 3.37Å; A225-A228 PolarHBondContact O-N 2.9Å; A228-G231 CarbonylContact O-C 3.48Å; A228-G231 VanDerWaalsContact O-CA 3.29Å; A228-G231 WeakPolarHBondContact O-CA 3.27Å; A228-G231 PolarHBondContact O-N 3Å; A228-G231 VanDerWaalsContact O-N 3.09Å; A228-F232 HydrophobicContact CB-CE2 4.11Å; A228-F232 WeakPolarHBondContact O-CD2 3.39Å; A228-F232 WeakPolarHBondContact O-CG 3.42Å; A228-F232 PolarHBondContact O-N 3.32Å; A228-W257 HydrophobicContact CB-CH2 3.95Å; A228-W257 HydrophobicContact CB-CZ3 4.21Å; A228-A258 HydrophobicContact CB-CB 3.98Å
229	S	99	Very high	98.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-57.6	-46.2	172.6	-97.6	0	0	0	0	113.4	L194 Q197 A225 G226 G227 G231 F232 H233	L194-S229 VanDerWaalsContact CD2-OG 3.3Å; L194-S229 WeakPolarHBondContact CD2-OG 3.24Å; Q197-S229 VanDerWaalsContact CD-OG 3.28Å; Q197-S229 PolarHBondContact NE2-OG 3.45Å; Q197-S229 PolarHBondContact OE1-OG 2.79Å; A225-S229 WeakPolarHBondContact O-CB 3.45Å; A225-S229 PolarHBondContact O-N 3.37Å; G226-S229 VanDerWaalsContact O-CB 3.3Å; G226-S229 WeakPolarHBondContact O-CB 3.38Å; G226-S229 PolarHBondContact O-N 3.27Å; G227-S229 VanDerWaalsContact C-N 3.35Å; G227-S229 PolarHBondContact O-N 3.45Å; S229-G231 PolarHBondContact O-N 2.94Å; S229-F232 PolarHBondContact O-N 3.37Å; S229-F232 VanDerWaalsContact O-N 3.11Å; S229-H233 PolarHBondContact O-CD2 3.09Å; S229-H233 VanDerWaalsContact O-CD2 3.26Å; S229-H233 PolarHBondContact O-N 3.3Å
230	V	99	Very high	98.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-56.5	-44.1	172.5	167.4	0	0	0	0	110.4	I139 I220 G226 G227 H233 L234 A246 L248	I139-V230 HydrophobicContact CD1-CG2 4.07Å; I220-V230 HydrophobicContact CB-CG2 4.25Å; I220-V230 HydrophobicContact CD1-CB 4.26Å; I220-V230 HydrophobicContact CD1-CG1 3.89Å; I220-V230 HydrophobicContact CD1-CG2 4.2Å; I220-V230 HydrophobicContact CG1-CB 4.5Å; I220-V230 HydrophobicContact CG1-CG1 3.89Å; I220-V230 HydrophobicContact CG1-CG2 4.14Å; G226-V230 WeakPolarHBondContact O-CG2 3.29Å; G226-V230 PolarHBondContact O-N 2.83Å; G227-V230 WeakPolarHBondContact O-CB 3.36Å; G227-V230 PolarHBondContact O-N 2.87Å; V230-H233 PolarHBondContact O-N 2.94Å; V230-L234 PolarHBondContact O-N 3.16Å; V230-L234 VanDerWaalsContact O-N 3.08Å; V230-A246 HydrophobicContact CG1-CB 3.48Å; V230-A246 VanDerWaalsContact CG1-CB 3.48Å; V230-L248 HydrophobicContact CB-CG 4.25Å; V230-L248 HydrophobicContact CG1-CD1 4.06Å; V230-L248 HydrophobicContact CG1-CD2 4.35Å; V230-L248 HydrophobicContact CG1-CG 3.77Å
231	G	98.9	Very high	98.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56.1	-50.1	170.9	0	0	0	0	0	113.5	G227 A228 S229 H233 L234 L235	G227-G231 PolarHBondContact O-N 3.08Å; A228-G231 CarbonylContact O-C 3.48Å; A228-G231 VanDerWaalsContact O-CA 3.29Å; A228-G231 WeakPolarHBondContact O-CA 3.27Å; A228-G231 PolarHBondContact O-N 3Å; A228-G231 VanDerWaalsContact O-N 3.09Å; S229-G231 PolarHBondContact O-N 2.94Å; G231-H233 VanDerWaalsContact C-N 3.25Å; G231-H233 PolarHBondContact O-N 3.46Å; G231-L234 WeakPolarHBondContact O-CA 3.32Å; G231-L234 VanDerWaalsContact O-CB 3.32Å; G231-L234 WeakPolarHBondContact O-CB 3.22Å; G231-L234 PolarHBondContact O-N 2.88Å; G231-L235 WeakPolarHBondContact O-CG 3.23Å; G231-L235 PolarHBondContact O-N 2.99Å
232	F	98.9	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.5	-34.4	178.2	-67.8	-49.5	0	0	0	112.2	F144 L194 A228 S229 L235 S236 P253 A258 P318 F324 L325 P329	F144-F232 HydrophobicContact CE2-CE2 4.43Å; F144-F232 HydrophobicContact CZ-CD2 4.41Å; F144-F232 AromaticContact CZ-CE2 3.9Å; F144-F232 HydrophobicContact CZ-CE2 3.9Å; L194-F232 HydrophobicContact CD1-CB 4.29Å; L194-F232 HydrophobicContact CD1-CD2 4.24Å; L194-F232 HydrophobicContact CD1-CG 4.36Å; L194-F232 HydrophobicContact CD2-CB 4.32Å; L194-F232 HydrophobicContact CD2-CD2 4.17Å; A228-F232 HydrophobicContact CB-CE2 4.11Å; A228-F232 WeakPolarHBondContact O-CD2 3.39Å; A228-F232 WeakPolarHBondContact O-CG 3.42Å; A228-F232 PolarHBondContact O-N 3.32Å; S229-F232 PolarHBondContact O-N 3.37Å; S229-F232 VanDerWaalsContact O-N 3.11Å; F232-L235 PolarHBondContact O-N 3.42Å; F232-S236 VanDerWaalsContact O-CB 3.24Å; F232-S236 WeakPolarHBondContact O-CB 3.5Å; F232-S236 PolarHBondContact O-N 2.98Å; F232-P253 HydrophobicContact CD1-CB 3.47Å; F232-P253 VanDerWaalsContact CD1-CB 3.47Å; F232-P253 HydrophobicContact CE1-CB 3.47Å; F232-P253 VanDerWaalsContact CE1-CB 3.47Å; F232-P253 WeakPolarHBondContact CE1-O 3.48Å; F232-P253 HydrophobicContact CG-CB 4.09Å; F232-P253 HydrophobicContact CZ-CB 4.06Å; F232-A258 HydrophobicContact CE2-CB 4.22Å; F232-A258 HydrophobicContact CZ-CB 3.89Å; F232-A258 VanDerWaalsContact CZ-O 3.3Å; F232-A258 WeakPolarHBondContact CZ-O 3.32Å; F232-P318 HydrophobicContact CD2-CG 4.13Å; F232-P318 HydrophobicContact CE2-CB 4.04Å; F232-P318 HydrophobicContact CE2-CG 3.69Å; F232-P318 HydrophobicContact CZ-CB 4.18Å; F232-P318 HydrophobicContact CZ-CG 4.3Å; F232-F324 HydrophobicContact CB-CE1 4.11Å; F232-L325 HydrophobicContact CD1-CD1 4.02Å; F232-L325 HydrophobicContact CD1-CD2 3.73Å; F232-L325 HydrophobicContact CE1-CD1 3.98Å; F232-L325 HydrophobicContact CE1-CD2 4.42Å; F232-L325 HydrophobicContact CG-CD2 4.49Å; F232-P329 HydrophobicContact CE1-CG 3.77Å
233	H	98.9	Very high	98.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-72.5	-26.7	173	-70.4	-51	0	0	0	114	Q197 I220 S229 V230 G231 S239 F243 F324	Q197-H233 VanDerWaalsContact CB-NE2 3.34Å; Q197-H233 WeakPolarHBondContact CB-NE2 3.19Å; Q197-H233 PolarHBondContact OE1-NE2 2.91Å; I220-H233 HydrophobicContact CD1-CB 3.88Å; S229-H233 PolarHBondContact O-CD2 3.09Å; S229-H233 VanDerWaalsContact O-CD2 3.26Å; S229-H233 PolarHBondContact O-N 3.3Å; V230-H233 PolarHBondContact O-N 2.94Å; G231-H233 VanDerWaalsContact C-N 3.25Å; G231-H233 PolarHBondContact O-N 3.46Å; H233-S239 VanDerWaalsContact ND1-CB 3.32Å; H233-S239 WeakPolarHBondContact ND1-CB 3.26Å; H233-S239 PolarHBondContact ND1-OG 2.74Å; H233-F243 HydrophobicContact CB-CE1 3.91Å; H233-F243 HydrophobicContact CB-CZ 4.29Å; H233-F243 WeakPolarHBondContact O-CE1 3.48Å; H233-F324 AromaticContact CE1-CZ 3.82Å; H233-F324 AromaticContact ND1-CZ 3.71Å
234	L	98.6	Very high	98.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.9	-38.8	167.3	-70.9	166.3	0	0	0	111.3	V230 G231 R240 F243 A246 L248 F338 K339 T341 I343 F432	V230-L234 PolarHBondContact O-N 3.16Å; V230-L234 VanDerWaalsContact O-N 3.08Å; G231-L234 WeakPolarHBondContact O-CA 3.32Å; G231-L234 VanDerWaalsContact O-CB 3.32Å; G231-L234 WeakPolarHBondContact O-CB 3.22Å; G231-L234 PolarHBondContact O-N 2.88Å; L234-R240 PolarHBondContact O-NE 2.84Å; L234-F243 HydrophobicContact CD2-CE2 3.63Å; L234-F243 HydrophobicContact CD2-CZ 3.82Å; L234-F243 HydrophobicContact CG-CE2 4.28Å; L234-F243 HydrophobicContact CG-CZ 4.17Å; L234-A246 HydrophobicContact CD1-CB 3.88Å; L234-A246 HydrophobicContact CD2-CB 4.07Å; L234-A246 HydrophobicContact CG-CB 4.14Å; L234-L248 HydrophobicContact CD1-CD1 4.33Å; L234-F338 WeakPolarHBondContact O-CA 3.14Å; L234-K339 HydrophobicContact CD2-CB 4.03Å; L234-K339 HydrophobicContact CD2-CD 4.25Å; L234-K339 PolarHBondContact O-N 3.15Å; L234-T341 HydrophobicContact CD2-CG2 3.93Å; L234-I343 HydrophobicContact CD1-CG2 4.1Å; L234-F432 HydrophobicContact CD1-CZ 4.12Å
235	L	98.4	Very high	98.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-75.2	-47.7	-179.2	-61.3	-169.6	0	0	0	112.3	G231 F232 P237 R240 P253 P329 M332 I333 F338	G231-L235 WeakPolarHBondContact O-CG 3.23Å; G231-L235 PolarHBondContact O-N 2.99Å; F232-L235 PolarHBondContact O-N 3.42Å; L235-P237 WeakPolarHBondContact O-CD 3.5Å; L235-R240 PolarHBondContact O-NE 2.81Å; L235-R240 PolarHBondContact O-NH2 3.32Å; L235-P253 HydrophobicContact CD1-CB 3.87Å; L235-P253 HydrophobicContact CD1-CG 3.8Å; L235-P253 HydrophobicContact CG-CG 4.19Å; L235-P329 HydrophobicContact CD1-CB 3.79Å; L235-P329 HydrophobicContact CD1-CG 4.36Å; L235-M332 HydrophobicContact CB-CE 3.87Å; L235-M332 HydrophobicContact CB-SD 4.11Å; L235-M332 HydrophobicContact CD1-CB 4.4Å; L235-M332 HydrophobicContact CD1-SD 4.41Å; L235-M332 HydrophobicContact CD2-CB 4.17Å; L235-M332 WeakPolarHBondContact O-CE 3.48Å; L235-I333 HydrophobicContact CD2-CG1 4.22Å; L235-F338 HydrophobicContact CD2-CB 3.73Å; L235-F338 HydrophobicContact CD2-CD1 4.38Å; L235-F338 HydrophobicContact CD2-CG 4.5Å
236	S	98.6	Very high	98.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	10%	0.102	C	C	.	.			trans	-65.9	116.9	-176.3	165	0	0	0	0	112.6	R198 F232 D238 S239 R240 F324	R198-S236 PolarHBondContact NH2-OG 3.36Å; F232-S236 VanDerWaalsContact O-CB 3.24Å; F232-S236 WeakPolarHBondContact O-CB 3.5Å; F232-S236 PolarHBondContact O-N 2.98Å; S236-D238 VanDerWaalsContact C-N 3.31Å; S236-D238 PolarHBondContact O-N 2.97Å; S236-S239 PolarHBondContact O-N 3.19Å; S236-S239 VanDerWaalsContact O-N 3.11Å; S236-S239 PolarHBondContact OG-OG 2.86Å; S236-R240 WeakPolarHBondContact O-CG 3.23Å; S236-R240 PolarHBondContact O-N 2.91Å; S236-F324 WeakPolarHBondContact CA-O 3.27Å; S236-F324 VanDerWaalsContact CB-CE1 3.41Å; S236-F324 VanDerWaalsContact CB-O 3.26Å; S236-F324 WeakPolarHBondContact CB-O 3.47Å; S236-F324 PolarHBondContact OG-O 2.75Å
237	P	97.6	Very high	98.5	Very high	49 Å²	49	18.8 Å²	18.8	32%	0.318	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-43.7	-177.9	-28.1	36.1	0	0	0	114.5	L235 S239 R240 P326	L235-P237 WeakPolarHBondContact O-CD 3.5Å; P237-S239 VanDerWaalsContact C-N 3.28Å; P237-S239 PolarHBondContact O-N 2.93Å; P237-R240 WeakPolarHBondContact O-CG 3.48Å; P237-R240 PolarHBondContact O-N 2.99Å; P237-P326 HydrophobicContact CG-CG 4.12Å
238	D	98	Very high	98.5	Very high	90 Å²	90	18.8 Å²	18.8	48%	0.481	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-15.1	-176.1	-71.8	-12.6	0	0	0	113.7	R198 S236 F242	R198-D238 IonicContact NH1-OD2 3.21Å; R198-D238 PolarHBondContact NH1-OD2 2.86Å; S236-D238 VanDerWaalsContact C-N 3.31Å; S236-D238 PolarHBondContact O-N 2.97Å; D238-F242 WeakPolarHBondContact O-CE2 3.31Å
239	S	98.7	Very high	98.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-27.6	175.2	-63.3	0	0	0	0	112.7	R198 H233 S236 P237 P241 F242 F243	R198-S239 PolarHBondContact NE-OG 2.84Å; R198-S239 VanDerWaalsContact NE-OG 3.17Å; H233-S239 VanDerWaalsContact ND1-CB 3.32Å; H233-S239 WeakPolarHBondContact ND1-CB 3.26Å; H233-S239 PolarHBondContact ND1-OG 2.74Å; S236-S239 PolarHBondContact O-N 3.19Å; S236-S239 VanDerWaalsContact O-N 3.11Å; S236-S239 PolarHBondContact OG-OG 2.86Å; P237-S239 VanDerWaalsContact C-N 3.28Å; P237-S239 PolarHBondContact O-N 2.93Å; S239-P241 VanDerWaalsContact C-N 3.33Å; S239-F242 PolarHBondContact O-N 2.85Å; S239-F242 VanDerWaalsContact O-N 3.11Å; S239-F243 WeakPolarHBondContact O-CD1 3.37Å; S239-F243 WeakPolarHBondContact O-CE1 3.29Å
240	R	97.9	Very high	98.5	Very high	53 Å²	53	18.8 Å²	18.8	20%	0.2	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-55.3	-34.3	-172.9	-50	-179	-177.4	161.6	0.5	114.9	L234 L235 S236 P237 F242 N337 K339	L234-R240 PolarHBondContact O-NE 2.84Å; L235-R240 PolarHBondContact O-NE 2.81Å; L235-R240 PolarHBondContact O-NH2 3.32Å; S236-R240 WeakPolarHBondContact O-CG 3.23Å; S236-R240 PolarHBondContact O-N 2.91Å; P237-R240 WeakPolarHBondContact O-CG 3.48Å; P237-R240 PolarHBondContact O-N 2.99Å; R240-F242 VanDerWaalsContact C-N 3.28Å; R240-F242 PolarHBondContact O-N 2.82Å; R240-N337 PolarHBondContact NH2-O 2.96Å; R240-N337 VanDerWaalsContact NH2-O 3.1Å; R240-N337 PolarHBondContact NH2-OD1 2.93Å; R240-K339 HydrophobicContact CB-CB 4.06Å; R240-K339 HydrophobicContact CB-CD 4.24Å; R240-K339 HydrophobicContact CB-CG 4.23Å; R240-K339 HydrophobicContact CG-CB 3.88Å; R240-K339 PolarHBondContact O-NZ 2.97Å
241	P	97.9	Very high	98.5	Very high	92 Å²	92	18.8 Å²	18.8	60%	0.597	10%	0.102	S	C	*	.	G	3₁₀ helix	trans	-70.1	-19.6	-179.9	-23.5	36.1	0	0	0	114.7	S239 F243	S239-P241 VanDerWaalsContact C-N 3.33Å; P241-F243 PolarHBondContact O-N 2.89Å
242	F	98.6	Very high	98.5	Very high	47 Å²	47	18.8 Å²	18.8	21%	0.206	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-89.2	2.9	-168.7	-55.7	-56.1	0	0	0	115.1	R198 L201 K202 Q205 D238 S239 R240	R198-F242 HydrophobicContact CG-CD2 4.17Å; R198-F242 HydrophobicContact CG-CE2 3.97Å; L201-F242 HydrophobicContact CB-CB 3.88Å; K202-F242 HydrophobicContact CB-CD1 4.32Å; K202-F242 HydrophobicContact CB-CE1 4.02Å; K202-F242 HydrophobicContact CB-CE2 4.5Å; K202-F242 HydrophobicContact CB-CZ 4.12Å; K202-F242 HydrophobicContact CD-CE1 4.49Å; K202-F242 HydrophobicContact CD-CZ 4.31Å; K202-F242 HydrophobicContact CG-CE1 3.99Å; K202-F242 HydrophobicContact CG-CZ 4.22Å; Q205-F242 HydrophobicContact CB-CD1 4.44Å; Q205-F242 HydrophobicContact CG-CB 4.02Å; Q205-F242 HydrophobicContact CG-CD1 3.97Å; Q205-F242 HydrophobicContact CG-CG 4.48Å; Q205-F242 VanDerWaalsContact NE2-C 3.31Å; Q205-F242 PolarHBondContact NE2-O 3.27Å; D238-F242 WeakPolarHBondContact O-CE2 3.31Å; S239-F242 PolarHBondContact O-N 2.85Å; S239-F242 VanDerWaalsContact O-N 3.11Å; R240-F242 VanDerWaalsContact C-N 3.28Å; R240-F242 PolarHBondContact O-N 2.82Å
243	F	98.7	Very high	98.5	Very high	5 Å²	5	18.8 Å²	18.8	2%	0.022	10%	0.102	C	C	.	.			trans	-151.1	160.7	176.8	65.8	-83.1	0	0	0	112	V218 I220 H233 L234 S239 P241 R245 A246 K339	V218-F243 HydrophobicContact CB-CB 4.5Å; V218-F243 HydrophobicContact CG1-CB 4.14Å; I220-F243 HydrophobicContact CD1-CD1 3.88Å; I220-F243 HydrophobicContact CD1-CD2 3.83Å; I220-F243 HydrophobicContact CD1-CE1 3.88Å; I220-F243 HydrophobicContact CD1-CE2 3.81Å; I220-F243 HydrophobicContact CD1-CG 3.86Å; I220-F243 HydrophobicContact CD1-CZ 3.83Å; I220-F243 HydrophobicContact CG1-CB 4.39Å; I220-F243 HydrophobicContact CG1-CD2 3.79Å; I220-F243 HydrophobicContact CG1-CE2 4.13Å; I220-F243 HydrophobicContact CG1-CG 3.99Å; I220-F243 HydrophobicContact CG2-CB 3.87Å; I220-F243 HydrophobicContact CG2-CG 4.21Å; H233-F243 HydrophobicContact CB-CE1 3.91Å; H233-F243 HydrophobicContact CB-CZ 4.29Å; H233-F243 WeakPolarHBondContact O-CE1 3.48Å; L234-F243 HydrophobicContact CD2-CE2 3.63Å; L234-F243 HydrophobicContact CD2-CZ 3.82Å; L234-F243 HydrophobicContact CG-CE2 4.28Å; L234-F243 HydrophobicContact CG-CZ 4.17Å; S239-F243 WeakPolarHBondContact O-CD1 3.37Å; S239-F243 WeakPolarHBondContact O-CE1 3.29Å; P241-F243 PolarHBondContact O-N 2.89Å; F243-R245 WeakPolarHBondContact CD2-O 3.38Å; F243-A246 HydrophobicContact CE2-CB 4.4Å; F243-K339 HydrophobicContact CD2-CD 4.18Å; F243-K339 HydrophobicContact CE1-CD 4.37Å; F243-K339 HydrophobicContact CE2-CD 3.53Å; F243-K339 HydrophobicContact CZ-CD 3.64Å; F243-K339 WeakPolarHBondContact O-CE 3.13Å; F243-K339 PolarHBondContact O-NZ 3.26Å
244	T	97.9	Very high	98.5	Very high	36 Å²	36	20 Å²	20	22%	0.221	11%	0.108	C	C	.	.	S	Bend	trans	-95.9	-51.4	-179.1	-48	0	0	0	0	110.5	K216 V218 K339 T341	K216-T244 PolarHBondContact O-OG1 2.85Å; V218-T244 PolarHBondContact N-OG1 3.11Å; V218-T244 WeakPolarHBondContact O-CA 3.46Å; V218-T244 VanDerWaalsContact O-CB 3.31Å; V218-T244 WeakPolarHBondContact O-CB 3.13Å; V218-T244 PolarHBondContact O-N 2.95Å; T244-K339 WeakPolarHBondContact O-CE 3.34Å; T244-T341 WeakPolarHBondContact O-CB 3.35Å; T244-T341 PolarHBondContact O-OG1 2.86Å
245	R	97.7	Very high	98.5	Very high	22 Å²	22	20.1 Å²	20.1	8%	0.083	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	168.3	-173.2	-58.3	-178.7	-177.9	101.1	-1.2	111.8	V218 T219 I220 F243 Q342 F517 A518 R519 T520 G521	V218-R245 PolarHBondContact O-N 3.01Å; T219-R245 WeakPolarHBondContact CA-O 3.34Å; T219-R245 HydrophobicContact CG2-CB 4.11Å; I220-R245 PolarHBondContact N-O 2.88Å; F243-R245 WeakPolarHBondContact CD2-O 3.38Å; R245-Q342 HydrophobicContact CG-CB 4.41Å; R245-F517 HydrophobicContact CB-CE1 3.96Å; R245-F517 HydrophobicContact CB-CZ 4.26Å; R245-F517 WeakPolarHBondContact CD-O 3.45Å; R245-A518 PolarHBondContact NH1-O 2.98Å; R245-R519 PolarHBondContact NH1-O 3.3Å; R245-R519 VanDerWaalsContact NH1-O 3.11Å; R245-T520 VanDerWaalsContact CZ-C 3.49Å; R245-T520 VanDerWaalsContact NH2-C 3.29Å; R245-T520 PolarHBondContact NH2-O 3.09Å; R245-G521 VanDerWaalsContact CZ-N 3.34Å
246	A	98.8	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.2	-177.2	0	0	0	0	0	112.2	I220 V230 L234 F243 L248 Q342 I343 L344 F517	I220-A246 HydrophobicContact CG1-CB 4.22Å; I220-A246 CarbonylContact O-C 3.47Å; I220-A246 VanDerWaalsContact O-CA 3.32Å; I220-A246 WeakPolarHBondContact O-CA 3.41Å; V230-A246 HydrophobicContact CG1-CB 3.48Å; V230-A246 VanDerWaalsContact CG1-CB 3.48Å; L234-A246 HydrophobicContact CD1-CB 3.88Å; L234-A246 HydrophobicContact CD2-CB 4.07Å; L234-A246 HydrophobicContact CG-CB 4.14Å; F243-A246 HydrophobicContact CE2-CB 4.4Å; A246-L248 HydrophobicContact CB-CD1 4.2Å; A246-Q342 PolarHBondContact N-O 3.26Å; A246-I343 HydrophobicContact CB-CG2 4.16Å; A246-I343 VanDerWaalsContact O-CA 3.31Å; A246-I343 WeakPolarHBondContact O-CA 3.35Å; A246-L344 PolarHBondContact O-N 3.21Å; A246-L344 VanDerWaalsContact O-N 3.13Å; A246-F517 WeakPolarHBondContact O-CE1 3.21Å
247	I	98.9	Very high	98.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.9	168.8	-52	178.1	0	0	0	109.2	M136 T219 I220 F221 G222 Q249 L344 W514 F517	M136-I247 HydrophobicContact CE-CD1 4.49Å; T219-I247 HydrophobicContact CG2-CD1 4.09Å; T219-I247 HydrophobicContact CG2-CG1 3.9Å; I220-I247 PolarHBondContact O-N 2.79Å; F221-I247 WeakPolarHBondContact CA-O 3.48Å; F221-I247 HydrophobicContact CB-CB 3.62Å; F221-I247 HydrophobicContact CB-CD1 4.3Å; F221-I247 HydrophobicContact CB-CG1 4.25Å; F221-I247 HydrophobicContact CB-CG2 4.34Å; G222-I247 PolarHBondContact N-O 2.84Å; I247-Q249 HydrophobicContact CG2-CG 4.18Å; I247-L344 CarbonylContact C-O 3.53Å; I247-L344 WeakPolarHBondContact CA-O 3.25Å; I247-L344 HydrophobicContact CG1-CB 4.17Å; I247-L344 HydrophobicContact CG2-CB 4.34Å; I247-L344 HydrophobicContact CG2-CD2 3.66Å; I247-W514 HydrophobicContact CD1-CB 4.39Å; I247-W514 VanDerWaalsContact CD1-CD1 3.48Å; I247-W514 HydrophobicContact CD1-CG 3.95Å; I247-F517 HydrophobicContact CD1-CD1 3.8Å; I247-F517 HydrophobicContact CD1-CE1 4.28Å; I247-F517 HydrophobicContact CG1-CD1 3.69Å; I247-F517 HydrophobicContact CG1-CE1 3.64Å
248	L	98.9	Very high	98.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	109.3	-175.8	-56.9	88.2	0	0	0	109.5	G227 V230 L234 A246 V252 I343 L344 L345 G346 F432	G227-L248 WeakPolarHBondContact O-CD2 3.26Å; V230-L248 HydrophobicContact CB-CG 4.25Å; V230-L248 HydrophobicContact CG1-CD1 4.06Å; V230-L248 HydrophobicContact CG1-CD2 4.35Å; V230-L248 HydrophobicContact CG1-CG 3.77Å; L234-L248 HydrophobicContact CD1-CD1 4.33Å; A246-L248 HydrophobicContact CB-CD1 4.2Å; L248-V252 HydrophobicContact CD2-CG1 4.02Å; L248-I343 HydrophobicContact CD1-CB 4.33Å; L248-I343 HydrophobicContact CD1-CG2 4.47Å; L248-L344 PolarHBondContact N-O 3.47Å; L248-L345 HydrophobicContact CB-CB 3.93Å; L248-L345 HydrophobicContact CD1-CB 4.45Å; L248-L345 WeakPolarHBondContact O-CA 3.5Å; L248-L345 WeakPolarHBondContact O-CB 3.36Å; L248-G346 PolarHBondContact O-N 2.82Å; L248-F432 HydrophobicContact CD2-CE1 3.99Å; L248-F432 HydrophobicContact CD2-CZ 4.37Å
249	Q	98.9	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.4	-178.9	-51.7	177.2	-162.9	0	0	108.6	G222 E223 S224 I247 G251 Y462 E484 W514	G222-Q249 PolarHBondContact O-N 2.88Å; E223-Q249 CarbonylContact C-O 3.56Å; E223-Q249 WeakPolarHBondContact CA-O 3.21Å; E223-Q249 HydrophobicContact CB-CB 3.92Å; E223-Q249 HydrophobicContact CG-CB 3.93Å; S224-Q249 PolarHBondContact N-O 2.81Å; I247-Q249 HydrophobicContact CG2-CG 4.18Å; Q249-G251 PolarHBondContact O-N 3.48Å; Q249-Y462 WeakPolarHBondContact CB-OH 3.34Å; Q249-Y462 VanDerWaalsContact CG-OH 3.32Å; Q249-Y462 WeakPolarHBondContact CG-OH 3.24Å; Q249-E484 WeakPolarHBondContact CB-OE1 3.21Å; Q249-E484 PolarHBondContact NE2-OE1 2.91Å; Q249-W514 HydrophobicContact CG-CZ2 4.46Å
250	S	98.9	Very high	98.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	50.5	29.1	172.5	-61.9	0	0	0	0	115.7	G346 E351 V425	S250-G346 PolarHBondContact N-O 3.46Å; S250-E351 WeakPolarHBondContact CB-OE1 3.33Å; S250-E351 PolarHBondContact OG-OE1 2.73Å; S250-V425 WeakPolarHBondContact O-CG1 3.42Å
251	G	98.8	Very high	98.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.112	C	C	.	.			trans	-175	137.9	-178.9	0	0	0	0	0	113.4	G227 Q249	G227-G251 CarbonylContact C-O 3.58Å; G227-G251 WeakPolarHBondContact CA-O 3.3Å; Q249-G251 PolarHBondContact O-N 3.48Å
252	V	98.9	Very high	98.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.095	C	C	.	.			trans	-142.5	161.7	-178	-69.8	0	0	0	0	109.8	L248 N254 C255 P428 L429 F432	L248-V252 HydrophobicContact CD2-CG1 4.02Å; V252-N254 WeakPolarHBondContact CG2-OD1 3.42Å; V252-N254 PolarHBondContact O-N 2.93Å; V252-C255 VanDerWaalsContact CG2-SG 3.56Å; V252-C255 WeakPolarHBondContact O-CB 3.32Å; V252-C255 PolarHBondContact O-N 2.97Å; V252-C255 VanDerWaalsContact O-N 3.15Å; V252-C255 PolarHBondContact O-SG 2.64Å; V252-C255 VanDerWaalsContact O-SG 3.36Å; V252-P428 HydrophobicContact CG2-CB 3.89Å; V252-L429 HydrophobicContact CG1-CB 3.95Å; V252-L429 HydrophobicContact CG1-CD1 3.93Å; V252-L429 HydrophobicContact CG1-CG 3.78Å; V252-L429 HydrophobicContact CG2-CB 4.1Å; V252-F432 HydrophobicContact CB-CB 4.18Å; V252-F432 HydrophobicContact CB-CG 4.19Å; V252-F432 HydrophobicContact CG1-CB 4.11Å; V252-F432 HydrophobicContact CG1-CD1 3.98Å; V252-F432 HydrophobicContact CG1-CG 4.08Å; V252-F432 HydrophobicContact CG2-CB 4.32Å
253	P	98.8	Very high	98.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-16.1	-168.1	29	-30.7	0	0	0	113.3	F232 L235 P329 I333 F432	F232-P253 HydrophobicContact CD1-CB 3.47Å; F232-P253 VanDerWaalsContact CD1-CB 3.47Å; F232-P253 HydrophobicContact CE1-CB 3.47Å; F232-P253 VanDerWaalsContact CE1-CB 3.47Å; F232-P253 WeakPolarHBondContact CE1-O 3.48Å; F232-P253 HydrophobicContact CG-CB 4.09Å; F232-P253 HydrophobicContact CZ-CB 4.06Å; L235-P253 HydrophobicContact CD1-CB 3.87Å; L235-P253 HydrophobicContact CD1-CG 3.8Å; L235-P253 HydrophobicContact CG-CG 4.19Å; P253-P329 HydrophobicContact CB-CB 4.29Å; P253-P329 WeakPolarHBondContact O-CB 3.5Å; P253-P329 WeakPolarHBondContact O-CG 3.32Å; P253-I333 HydrophobicContact CG-CD1 4.48Å; P253-F432 HydrophobicContact CG-CD2 4.18Å; P253-F432 HydrophobicContact CG-CE2 3.82Å
254	N	98.4	Very high	98.2	Very high	25 Å²	25	18.8 Å²	18.8	13%	0.134	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	10.2	174.9	64.1	-49.9	0	0	0	113.8	V252 P329 I333 P428	V252-N254 WeakPolarHBondContact CG2-OD1 3.42Å; V252-N254 PolarHBondContact O-N 2.93Å; N254-P329 HydrophobicContact CB-CB 4.36Å; N254-I333 HydrophobicContact CB-CD1 3.61Å; N254-P428 PolarHBondContact ND2-O 3.18Å
255	C	98.6	Very high	98.2	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.02	11%	0.113	C	C	.	.	S	Bend	trans	-58.4	139.7	167.7	-75.6	0	0	0	0	110.3	V252 W257 A258 N424	V252-C255 VanDerWaalsContact CG2-SG 3.56Å; V252-C255 WeakPolarHBondContact O-CB 3.32Å; V252-C255 PolarHBondContact O-N 2.97Å; V252-C255 VanDerWaalsContact O-N 3.15Å; V252-C255 PolarHBondContact O-SG 2.64Å; V252-C255 VanDerWaalsContact O-SG 3.36Å; C255-W257 HydrophobicContact CB-CD2 4.02Å; C255-W257 VanDerWaalsContact CB-CE2 3.45Å; C255-W257 HydrophobicContact CB-CG 4.34Å; C255-W257 HydrophobicContact CB-CH2 4.45Å; C255-W257 HydrophobicContact CB-CZ2 3.71Å; C255-W257 PolarHBondContact O-N 3.08Å; C255-A258 HydrophobicContact CB-CB 3.95Å; C255-A258 WeakPolarHBondContact O-CB 3.13Å; C255-A258 PolarHBondContact O-N 3.07Å; C255-N424 PolarHBondContact SG-O 2.87Å
256	P	96.8	Very high	98.3	Very high	45 Å²	45	19.8 Å²	19.8	29%	0.292	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.9	-172.4	27.9	-36.8	0	0	0	114
257	W	97.8	Very high	98.2	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.019	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-11	177	53.1	-100.6	0	0	0	113.7	F144 A225 A228 C255 F312 F314 N424	F144-W257 HydrophobicContact CD2-CZ3 4.32Å; F144-W257 HydrophobicContact CE2-CE3 4.29Å; F144-W257 AromaticContact CE2-CZ3 3.77Å; F144-W257 HydrophobicContact CE2-CZ3 3.77Å; A225-W257 HydrophobicContact CB-CZ3 4.13Å; A228-W257 HydrophobicContact CB-CH2 3.95Å; A228-W257 HydrophobicContact CB-CZ3 4.21Å; C255-W257 HydrophobicContact CB-CD2 4.02Å; C255-W257 VanDerWaalsContact CB-CE2 3.45Å; C255-W257 HydrophobicContact CB-CG 4.34Å; C255-W257 HydrophobicContact CB-CH2 4.45Å; C255-W257 HydrophobicContact CB-CZ2 3.71Å; C255-W257 PolarHBondContact O-N 3.08Å; W257-F312 HydrophobicContact CB-CD2 4.29Å; W257-F312 WeakPolarHBondContact CB-O 3.35Å; W257-F312 AromaticContact CD1-CD2 3.4Å; W257-F312 VanDerWaalsContact CD1-CD2 3.4Å; W257-F312 AromaticContact CD1-CE2 3.51Å; W257-F312 HydrophobicContact CD2-CD2 4.16Å; W257-F312 AromaticContact CD2-CE2 3.84Å; W257-F312 HydrophobicContact CD2-CE2 3.84Å; W257-F312 AromaticContact CE2-CE2 3.5Å; W257-F312 AromaticContact CG-CD2 3.71Å; W257-F312 HydrophobicContact CG-CD2 3.71Å; W257-F312 AromaticContact CG-CE2 3.87Å; W257-F312 HydrophobicContact CG-CE2 3.87Å; W257-F312 HydrophobicContact CZ2-CE2 4.13Å; W257-F312 HydrophobicContact CZ2-CZ 4.5Å; W257-F312 AromaticContact NE1-CD2 3.7Å; W257-F312 AromaticContact NE1-CE2 3.27Å; W257-F312 VanDerWaalsContact NE1-CE2 3.27Å; W257-F312 AromaticContact NE1-CZ 3.72Å; W257-F314 HydrophobicContact CB-CD2 4.22Å; W257-F314 HydrophobicContact CB-CE2 4.1Å; W257-F314 HydrophobicContact CD2-CD2 4.49Å; W257-F314 AromaticContact CD2-CE2 3.9Å; W257-F314 HydrophobicContact CD2-CE2 3.9Å; W257-F314 HydrophobicContact CE3-CD2 4.02Å; W257-F314 AromaticContact CE3-CE2 3.67Å; W257-F314 HydrophobicContact CE3-CE2 3.67Å; W257-F314 HydrophobicContact CG-CE2 4.08Å; W257-F314 HydrophobicContact CZ3-CE2 4.43Å; W257-N424 PolarHBondContact NE1-O 2.92Å
258	A	98.6	Very high	98.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-84.4	-18.4	-166.9	0	0	0	0	0	114.1	F144 A228 F232 C255 P318	F144-A258 HydrophobicContact CE2-CB 4.35Å; A228-A258 HydrophobicContact CB-CB 3.98Å; F232-A258 HydrophobicContact CE2-CB 4.22Å; F232-A258 HydrophobicContact CZ-CB 3.89Å; F232-A258 VanDerWaalsContact CZ-O 3.3Å; F232-A258 WeakPolarHBondContact CZ-O 3.32Å; C255-A258 HydrophobicContact CB-CB 3.95Å; C255-A258 WeakPolarHBondContact O-CB 3.13Å; C255-A258 PolarHBondContact O-N 3.07Å; A258-P318 VanDerWaalsContact O-CD 3.3Å; A258-P318 WeakPolarHBondContact O-CD 3.1Å
259	S	98.4	Very high	98.2	Very high	27 Å²	27	24.7 Å²	24.7	19%	0.189	14%	0.141	C	C	.	.			trans	-150.1	160	175.8	64.1	0	0	0	0	113.4	P318	S259-P318 CarbonylContact C-O 3.3Å; S259-P318 WeakPolarHBondContact CA-O 3.46Å; S259-P318 WeakPolarHBondContact CB-O 3.46Å
260	V	98	Very high	98.1	Very high	23 Å²	23	27.8 Å²	27.8	14%	0.139	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-131	162.2	176.5	-68.7	0	0	0	0	112.1	E264 A265 V317 P318 V319 V320	V260-E264 HydrophobicContact CB-CB 4.39Å; V260-E264 HydrophobicContact CB-CG 4.24Å; V260-E264 HydrophobicContact CG1-CG 4.2Å; V260-A265 HydrophobicContact CG2-CB 3.79Å; V260-V317 HydrophobicContact CB-CG2 4.4Å; V260-V317 HydrophobicContact CG1-CG2 3.75Å; V260-V317 HydrophobicContact CG2-CG2 4.03Å; V260-P318 PolarHBondContact N-O 2.94Å; V260-V319 WeakPolarHBondContact O-CA 3.27Å; V260-V320 PolarHBondContact O-N 3.11Å; V260-V320 VanDerWaalsContact O-N 3.1Å
261	S	97.5	Very high	98	Very high	61 Å²	61	30.1 Å²	30.1	43%	0.427	17%	0.172	S	C	.	.			trans	-71.8	155.4	172.1	71.7	0	0	0	0	111.4	A263 E264 A265	S261-A263 PolarHBondContact O-N 2.91Å; S261-E264 PolarHBondContact O-N 2.73Å; S261-E264 PolarHBondContact OG-N 2.81Å; S261-A265 WeakPolarHBondContact O-CB 3.46Å; S261-A265 PolarHBondContact O-N 2.73Å
262	P	97.4	Very high	98	Very high	39 Å²	39	30.1 Å²	30.1	25%	0.253	17%	0.172	S	C	.	.	H	α-helix	trans	-52.1	-37.8	173	-32	38	0	0	0	114.4	H183 R266 V319 V320	H183-P262 HydrophobicContact CB-CB 3.93Å; P262-R266 WeakPolarHBondContact O-CB 3.45Å; P262-R266 PolarHBondContact O-N 3.17Å; P262-V319 HydrophobicContact CB-CG2 4.41Å; P262-V319 HydrophobicContact CG-CG2 4.15Å; P262-V320 WeakPolarHBondContact CD-O 3.26Å; P262-V320 WeakPolarHBondContact CG-O 3.44Å
263	A	97.3	Very high	98	Very high	73 Å²	73	30.1 Å²	30.1	60%	0.603	17%	0.172	S	C	*	.	H	α-helix	trans	-66.5	-45.8	-179.8	0	0	0	0	0	111.8	S261 R267	S261-A263 PolarHBondContact O-N 2.91Å; A263-R267 PolarHBondContact O-N 2.95Å
264	E	97.5	Very high	97.9	Very high	36 Å²	36	36.8 Å²	36.8	17%	0.168	20%	0.201	C	C	.	.	H	α-helix	trans	-68.2	-41.1	177.9	174.8	57.4	-169.7	0	0	111.4	V260 S261 R266 R267 R268	V260-E264 HydrophobicContact CB-CB 4.39Å; V260-E264 HydrophobicContact CB-CG 4.24Å; V260-E264 HydrophobicContact CG1-CG 4.2Å; S261-E264 PolarHBondContact O-N 2.73Å; S261-E264 PolarHBondContact OG-N 2.81Å; E264-R266 PolarHBondContact O-N 3.36Å; E264-R267 WeakPolarHBondContact O-CB 3.28Å; E264-R267 PolarHBondContact O-N 3.41Å; E264-R267 IonicContact OE1-CZ 3.56Å; E264-R267 IonicContact OE1-NE 3.01Å; E264-R267 IonicContact OE1-NH2 3.73Å; E264-R267 PolarHBondContact OE1-NH2 2.98Å; E264-R267 IonicContact OE2-CZ 3.53Å; E264-R267 IonicContact OE2-NE 3.27Å; E264-R267 PolarHBondContact OE2-NE 3.16Å; E264-R267 IonicContact OE2-NH2 3.72Å; E264-R268 WeakPolarHBondContact O-CG 3.3Å; E264-R268 PolarHBondContact O-N 3.49Å; E264-R268 IonicContact OE1-CZ 3.52Å; E264-R268 IonicContact OE1-NE 2.65Å; E264-R268 PolarHBondContact OE1-NE 3.23Å; E264-R268 IonicContact OE1-NH2 3.88Å; E264-R268 PolarHBondContact OE1-NH2 3.37Å
265	A	98.3	Very high	97.9	Very high	6 Å²	6	38.4 Å²	38.4	5%	0.05	21%	0.209	C	C	.	.	H	α-helix	trans	-60.7	-44.6	177.2	0	0	0	0	0	111.8	A181 V260 S261 R268 A269 V319	A181-A265 HydrophobicContact CB-CB 3.85Å; A181-A265 CarbonylContact O-C 3.55Å; V260-A265 HydrophobicContact CG2-CB 3.79Å; S261-A265 WeakPolarHBondContact O-CB 3.46Å; S261-A265 PolarHBondContact O-N 2.73Å; A265-R268 PolarHBondContact O-N 3.36Å; A265-A269 WeakPolarHBondContact O-CB 3.44Å; A265-A269 PolarHBondContact O-N 3.05Å; A265-V319 HydrophobicContact CB-CB 4.16Å; A265-V319 HydrophobicContact CB-CG2 3.79Å
266	R	97.9	Very high	97.9	Very high	73 Å²	73	38.6 Å²	38.6	28%	0.275	21%	0.211	S	C	.	.	H	α-helix	trans	-61.9	-43.7	174.1	178.2	173.1	-75.5	-81	3.4	111.7	A181 L182 H183 P262 E264 R268 A269 T270 D283	A181-R266 PolarHBondContact O-N 3.32Å; L182-R266 HydrophobicContact CD2-CG 4.18Å; H183-R266 PolarHBondContact O-NH2 3.05Å; P262-R266 WeakPolarHBondContact O-CB 3.45Å; P262-R266 PolarHBondContact O-N 3.17Å; E264-R266 PolarHBondContact O-N 3.36Å; R266-R268 VanDerWaalsContact C-N 3.33Å; R266-R268 PolarHBondContact O-N 3.19Å; R266-A269 PolarHBondContact O-N 3.13Å; R266-T270 PolarHBondContact O-N 3.01Å; R266-T270 PolarHBondContact O-OG1 2.83Å; R266-T270 VanDerWaalsContact O-OG1 3.09Å; R266-D283 IonicContact CZ-OD1 3.57Å; R266-D283 IonicContact CZ-OD2 2.76Å; R266-D283 VanDerWaalsContact NH1-CG 3.33Å; R266-D283 IonicContact NH1-OD1 3.65Å; R266-D283 PolarHBondContact NH1-OD1 3.01Å; R266-D283 IonicContact NH1-OD2 2.68Å; R266-D283 PolarHBondContact NH1-OD2 3.23Å; R266-D283 VanDerWaalsContact NH1-OD2 3.1Å; R266-D283 IonicContact NH2-OD1 3.3Å; R266-D283 IonicContact NH2-OD2 3.74Å; R266-D283 PolarHBondContact NH2-OD2 2.74Å
267	R	97.9	Very high	97.9	Very high	85 Å²	85	42.4 Å²	42.4	32%	0.321	23%	0.228	S	C	.	.	H	α-helix	trans	-56.5	-46.9	176.5	-171.8	-159.8	65.3	74	3.8	111.2	A263 E264 L271 V305	A263-R267 PolarHBondContact O-N 2.95Å; E264-R267 WeakPolarHBondContact O-CB 3.28Å; E264-R267 PolarHBondContact O-N 3.41Å; E264-R267 IonicContact OE1-CZ 3.56Å; E264-R267 IonicContact OE1-NE 3.01Å; E264-R267 IonicContact OE1-NH2 3.73Å; E264-R267 PolarHBondContact OE1-NH2 2.98Å; E264-R267 IonicContact OE2-CZ 3.53Å; E264-R267 IonicContact OE2-NE 3.27Å; E264-R267 PolarHBondContact OE2-NE 3.16Å; E264-R267 IonicContact OE2-NH2 3.72Å; R267-L271 WeakPolarHBondContact O-CB 3.14Å; R267-L271 PolarHBondContact O-N 3.24Å; R267-V305 PolarHBondContact NH1-O 2.69Å; R267-V305 PolarHBondContact NH2-O 3.03Å
268	R	98.4	Very high	97.8	Very high	17 Å²	17	42.4 Å²	42.4	6%	0.064	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-45.6	178.1	-66.7	-178.8	-169.5	-171.3	-2.2	112.1	E264 A265 R266 L271 L272 V305 F314 S315 F316	E264-R268 WeakPolarHBondContact O-CG 3.3Å; E264-R268 PolarHBondContact O-N 3.49Å; E264-R268 IonicContact OE1-CZ 3.52Å; E264-R268 IonicContact OE1-NE 2.65Å; E264-R268 PolarHBondContact OE1-NE 3.23Å; E264-R268 IonicContact OE1-NH2 3.88Å; E264-R268 PolarHBondContact OE1-NH2 3.37Å; A265-R268 PolarHBondContact O-N 3.36Å; R266-R268 VanDerWaalsContact C-N 3.33Å; R266-R268 PolarHBondContact O-N 3.19Å; R268-L271 PolarHBondContact O-N 2.85Å; R268-L272 PolarHBondContact O-N 3Å; R268-V305 HydrophobicContact CB-CB 4.11Å; R268-V305 HydrophobicContact CB-CG2 3.87Å; R268-V305 HydrophobicContact CG-CB 4.3Å; R268-V305 HydrophobicContact CG-CG2 3.95Å; R268-F314 PolarHBondContact NH1-O 3.45Å; R268-S315 WeakPolarHBondContact CD-O 3.4Å; R268-S315 PolarHBondContact NH1-O 3.17Å; R268-F316 HydrophobicContact CB-CE1 4.17Å
269	A	98.3	Very high	97.3	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-45.7	178.2	0	0	0	0	0	112.3	L180 L182 A265 R266 L272 A273	L180-A269 HydrophobicContact CD1-CB 4.36Å; L180-A269 HydrophobicContact CD2-CB 4.13Å; L180-A269 HydrophobicContact CG-CB 3.88Å; L182-A269 HydrophobicContact CD2-CB 3.73Å; L182-A269 HydrophobicContact CG-CB 4.18Å; A265-A269 WeakPolarHBondContact O-CB 3.44Å; A265-A269 PolarHBondContact O-N 3.05Å; R266-A269 PolarHBondContact O-N 3.13Å; A269-L272 PolarHBondContact O-N 2.91Å; A269-A273 PolarHBondContact O-N 3.43Å
270	T	97.3	Very high	96	Very high	65 Å²	65	49.7 Å²	49.7	40%	0.399	28%	0.281	S	S	.	.	H	α-helix	trans	-67.4	-36.2	177.2	-55.4	0	0	0	0	112.1	R266 A273 K274 L286	R266-T270 PolarHBondContact O-N 3.01Å; R266-T270 PolarHBondContact O-OG1 2.83Å; R266-T270 VanDerWaalsContact O-OG1 3.09Å; T270-A273 PolarHBondContact O-N 2.93Å; T270-K274 PolarHBondContact O-N 3.48Å; T270-L286 HydrophobicContact CG2-CD1 4.49Å
271	L	97.8	Very high	95.2	Very high	50 Å²	50	51.3 Å²	51.3	26%	0.262	30%	0.302	S	S	.	.	H	α-helix	trans	-67.1	-43.5	175.5	-179.4	54.7	0	0	0	111.7	R267 R268 A273 K274 L275 V305	R267-L271 WeakPolarHBondContact O-CB 3.14Å; R267-L271 PolarHBondContact O-N 3.24Å; R268-L271 PolarHBondContact O-N 2.85Å; L271-A273 VanDerWaalsContact C-N 3.31Å; L271-A273 PolarHBondContact O-N 3.46Å; L271-K274 WeakPolarHBondContact O-CB 3.41Å; L271-K274 PolarHBondContact O-N 2.8Å; L271-L275 HydrophobicContact CD1-CD1 4.45Å; L271-L275 HydrophobicContact CD1-CG 4.31Å; L271-L275 HydrophobicContact CG-CD1 4.2Å; L271-L275 WeakPolarHBondContact O-CG 3.4Å; L271-L275 PolarHBondContact O-N 3.28Å; L271-V305 HydrophobicContact CD2-CB 4.35Å; L271-V305 HydrophobicContact CG-CG1 4.41Å
272	L	98.4	Very high	95	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-56.2	-48.6	173.1	-177.3	66.7	0	0	0	110.9	A176 L180 R268 A269 K274 L275 V276 L298 Q301 V305 F316	A176-L272 HydrophobicContact CB-CD2 3.85Å; L180-L272 HydrophobicContact CD1-CD2 4.11Å; R268-L272 PolarHBondContact O-N 3Å; A269-L272 PolarHBondContact O-N 2.91Å; L272-K274 VanDerWaalsContact C-N 3.29Å; L272-K274 PolarHBondContact O-N 3.28Å; L272-L275 WeakPolarHBondContact O-CB 3.25Å; L272-L275 PolarHBondContact O-N 3.17Å; L272-L275 VanDerWaalsContact O-N 3.08Å; L272-V276 WeakPolarHBondContact O-CG2 3.14Å; L272-V276 PolarHBondContact O-N 3.24Å; L272-L298 HydrophobicContact CD2-CD2 4.39Å; L272-Q301 HydrophobicContact CD1-CB 3.78Å; L272-V305 HydrophobicContact CB-CG1 3.9Å; L272-V305 HydrophobicContact CD1-CG1 4.38Å; L272-F316 HydrophobicContact CB-CZ 3.96Å; L272-F316 HydrophobicContact CD2-CE2 3.89Å; L272-F316 HydrophobicContact CD2-CZ 3.6Å; L272-F316 HydrophobicContact CG-CZ 4.28Å
273	A	98.1	Very high	94.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-54.3	-46.9	177.3	0	0	0	0	0	111.6	A269 T270 L271 L275 V276 N277 C278 L286 L290	A269-A273 PolarHBondContact O-N 3.43Å; T270-A273 PolarHBondContact O-N 2.93Å; L271-A273 VanDerWaalsContact C-N 3.31Å; L271-A273 PolarHBondContact O-N 3.46Å; A273-L275 PolarHBondContact O-N 3.45Å; A273-V276 CarbonylContact O-C 3.51Å; A273-V276 WeakPolarHBondContact O-CG2 3.38Å; A273-V276 PolarHBondContact O-N 2.91Å; A273-N277 PolarHBondContact O-N 3.34Å; A273-C278 CarbonylContact C-O 3.52Å; A273-C278 HydrophobicContact CB-CB 3.92Å; A273-C278 WeakPolarHBondContact O-CA 3.4Å; A273-C278 WeakPolarHBondContact O-CB 3.49Å; A273-C278 PolarHBondContact O-N 3.3Å; A273-L286 HydrophobicContact CB-CD1 3.85Å; A273-L286 HydrophobicContact CB-CD2 3.81Å; A273-L286 HydrophobicContact CB-CG 3.74Å; A273-L290 HydrophobicContact CB-CD1 4.4Å; A273-L290 HydrophobicContact CB-CD2 4.13Å; A273-L290 HydrophobicContact CB-CG 4.37Å
274	K	97.7	Very high	94.7	Very high	140 Å²	140	52.5 Å²	52.5	61%	0.609	29%	0.294	S	S	*	.	H	α-helix	trans	-60.1	-44.3	175.7	-174.1	-179.1	177.6	-176.2	0	112.5	T270 L271 L272 V276 N277	T270-K274 PolarHBondContact O-N 3.48Å; L271-K274 WeakPolarHBondContact O-CB 3.41Å; L271-K274 PolarHBondContact O-N 2.8Å; L272-K274 VanDerWaalsContact C-N 3.29Å; L272-K274 PolarHBondContact O-N 3.28Å; K274-V276 VanDerWaalsContact C-N 3.26Å; K274-V276 PolarHBondContact O-N 2.94Å; K274-N277 PolarHBondContact O-N 3.29Å
275	L	98.1	Very high	94.6	Very high	58 Å²	58	56 Å²	56	30%	0.304	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-32.1	-179.1	-71	168.4	0	0	0	112.6	L271 L272 A273 N277 Q301 L304 V305	L271-L275 HydrophobicContact CD1-CD1 4.45Å; L271-L275 HydrophobicContact CD1-CG 4.31Å; L271-L275 HydrophobicContact CG-CD1 4.2Å; L271-L275 WeakPolarHBondContact O-CG 3.4Å; L271-L275 PolarHBondContact O-N 3.28Å; L272-L275 WeakPolarHBondContact O-CB 3.25Å; L272-L275 PolarHBondContact O-N 3.17Å; L272-L275 VanDerWaalsContact O-N 3.08Å; A273-L275 PolarHBondContact O-N 3.45Å; L275-N277 VanDerWaalsContact C-N 3.34Å; L275-Q301 HydrophobicContact CB-CB 4.06Å; L275-Q301 HydrophobicContact CB-CG 4.15Å; L275-Q301 HydrophobicContact CD1-CB 4.29Å; L275-L304 HydrophobicContact CD1-CB 3.74Å; L275-L304 HydrophobicContact CD1-CD1 4.47Å; L275-L304 HydrophobicContact CD2-CD1 4.5Å; L275-V305 HydrophobicContact CD1-CG1 4.27Å
276	V	97.9	Very high	94.5	Very high	8 Å²	8	56.5 Å²	56.5	5%	0.048	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	16.4	175.8	-56	0	0	0	0	113.4	L272 A273 K274 C278 L290 K293 E297 L298 Q301	L272-V276 WeakPolarHBondContact O-CG2 3.14Å; L272-V276 PolarHBondContact O-N 3.24Å; A273-V276 CarbonylContact O-C 3.51Å; A273-V276 WeakPolarHBondContact O-CG2 3.38Å; A273-V276 PolarHBondContact O-N 2.91Å; K274-V276 VanDerWaalsContact C-N 3.26Å; K274-V276 PolarHBondContact O-N 2.94Å; V276-C278 VanDerWaalsContact C-N 3.31Å; V276-C278 HydrophobicContact CG2-CB 4.45Å; V276-C278 PolarHBondContact O-N 2.93Å; V276-L290 HydrophobicContact CG2-CD2 3.69Å; V276-K293 HydrophobicContact CB-CG 4.37Å; V276-K293 HydrophobicContact CG2-CG 4.07Å; V276-K293 WeakPolarHBondContact O-CE 3.32Å; V276-K293 PolarHBondContact O-NZ 3.04Å; V276-E297 WeakPolarHBondContact CG1-O 3.26Å; V276-L298 HydrophobicContact CG1-CD2 4.21Å; V276-L298 HydrophobicContact CG2-CD2 4.21Å; V276-Q301 HydrophobicContact CG1-CB 4.24Å; V276-Q301 HydrophobicContact CG1-CG 3.84Å
277	N	97.3	Very high	94.5	Very high	124 Å²	124	53 Å²	53	66%	0.663	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	28.9	178.8	-56.4	-61.2	0	0	0	115	A273 K274 L275	A273-N277 PolarHBondContact O-N 3.34Å; K274-N277 PolarHBondContact O-N 3.29Å; L275-N277 VanDerWaalsContact C-N 3.34Å
278	C	96.4	Very high	94.5	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.041	30%	0.3	C	S	.	.			trans	-89.3	96.2	165.2	-68.1	0	0	0	0	109.4	A273 V276 C289	A273-C278 CarbonylContact C-O 3.52Å; A273-C278 HydrophobicContact CB-CB 3.92Å; A273-C278 WeakPolarHBondContact O-CA 3.4Å; A273-C278 WeakPolarHBondContact O-CB 3.49Å; A273-C278 PolarHBondContact O-N 3.3Å; V276-C278 VanDerWaalsContact C-N 3.31Å; V276-C278 HydrophobicContact CG2-CB 4.45Å; V276-C278 PolarHBondContact O-N 2.93Å; C278-C289 WeakPolarHBondContact CA-SG 3.47Å; C278-C289 HydrophobicContact CB-CB 3.63Å; C278-C289 WeakPolarHBondContact CB-SG 3.48Å; C278-C289 WeakPolarHBondContact SG-CB 3.47Å; C278-C289 CovalentContact SG-SG 2.03Å; C278-C289 PolarHBondContact SG-SG 3.11Å
279	N	87.2	Confident	94.4	Very high	118 Å²	118	53.2 Å²	53.2	63%	0.631	31%	0.31	S	S	*	.			trans	-109.2	139.4	-173.3	-68.2	-43.4	0	0	0	112.3
280	G	72.3	Confident	94.4	Very high	62 Å²	62	53.2 Å²	53.2	64%	0.639	31%	0.31	S	S	*	.	S	Bend	trans	70.7	-178.6	170.9	0	0	0	0	0	114.3
281	G	80.8	Confident	94.5	Very high	57 Å²	57	51 Å²	51	59%	0.588	30%	0.295	S	S	*	.	S	Bend	trans	88.4	174.2	175.9	0	0	0	0	0	115.6	E285	G281-E285 WeakPolarHBondContact CA-OE2 3.45Å
282	N	91.9	Very high	94.5	Very high	90 Å²	90	55.5 Å²	55.5	48%	0.481	32%	0.319	S	S	.	.			trans	-77.4	173.7	171.1	64.7	42.2	0	0	0	111.2	T284 E285 L286	N282-T284 PolarHBondContact O-N 2.99Å; N282-T284 VanDerWaalsContact O-N 3.13Å; N282-T284 WeakPolarHBondContact OD1-CA 3.24Å; N282-T284 VanDerWaalsContact OD1-CB 3.29Å; N282-T284 WeakPolarHBondContact OD1-CB 3.49Å; N282-T284 PolarHBondContact OD1-N 3.48Å; N282-E285 PolarHBondContact N-OE2 3.37Å; N282-E285 PolarHBondContact O-N 2.9Å; N282-E285 VanDerWaalsContact O-N 3.12Å; N282-E285 PolarHBondContact OD1-N 3.36Å; N282-E285 VanDerWaalsContact OD1-N 3.08Å; N282-L286 PolarHBondContact O-N 2.78Å
283	D	94.5	Very high	94.4	Very high	43 Å²	43	57.5 Å²	57.5	23%	0.23	33%	0.327	C	S	.	.	H	α-helix	trans	-54.9	-34.1	-178.2	-75.1	-5.5	0	0	0	113.1	L182 R266 V287	L182-D283 HydrophobicContact CD1-CB 4.3Å; R266-D283 IonicContact CZ-OD1 3.57Å; R266-D283 IonicContact CZ-OD2 2.76Å; R266-D283 VanDerWaalsContact NH1-CG 3.33Å; R266-D283 IonicContact NH1-OD1 3.65Å; R266-D283 PolarHBondContact NH1-OD1 3.01Å; R266-D283 IonicContact NH1-OD2 2.68Å; R266-D283 PolarHBondContact NH1-OD2 3.23Å; R266-D283 VanDerWaalsContact NH1-OD2 3.1Å; R266-D283 IonicContact NH2-OD1 3.3Å; R266-D283 IonicContact NH2-OD2 3.74Å; R266-D283 PolarHBondContact NH2-OD2 2.74Å; D283-V287 WeakPolarHBondContact O-CB 3.47Å; D283-V287 VanDerWaalsContact O-CG2 3.24Å; D283-V287 WeakPolarHBondContact O-CG2 3.24Å; D283-V287 PolarHBondContact O-N 3.08Å
284	T	94.8	Very high	94.5	Very high	65 Å²	65	61 Å²	61	40%	0.399	35%	0.349	S	S	.	.	H	α-helix	trans	-67.2	-47.2	178.3	-53.6	0	0	0	0	111.5	E187 N282 L286 V287 D288	E187-T284 HydrophobicContact CG-CG2 4.45Å; N282-T284 PolarHBondContact O-N 2.99Å; N282-T284 VanDerWaalsContact O-N 3.13Å; N282-T284 WeakPolarHBondContact OD1-CA 3.24Å; N282-T284 VanDerWaalsContact OD1-CB 3.29Å; N282-T284 WeakPolarHBondContact OD1-CB 3.49Å; N282-T284 PolarHBondContact OD1-N 3.48Å; T284-L286 VanDerWaalsContact C-N 3.33Å; T284-L286 PolarHBondContact O-N 2.95Å; T284-V287 PolarHBondContact O-N 2.93Å; T284-D288 WeakPolarHBondContact O-CB 3.29Å; T284-D288 PolarHBondContact O-N 2.85Å
285	E	95.3	Very high	94.5	Very high	110 Å²	110	55.1 Å²	55.1	51%	0.514	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-39.4	179	-68.7	169.9	155.2	0	0	111.6	G281 N282 D288 C289	G281-E285 WeakPolarHBondContact CA-OE2 3.45Å; N282-E285 PolarHBondContact N-OE2 3.37Å; N282-E285 PolarHBondContact O-N 2.9Å; N282-E285 VanDerWaalsContact O-N 3.12Å; N282-E285 PolarHBondContact OD1-N 3.36Å; N282-E285 VanDerWaalsContact OD1-N 3.08Å; E285-D288 PolarHBondContact O-N 3.36Å; E285-C289 PolarHBondContact O-N 3.18Å
286	L	96.6	Very high	94.5	Very high	15 Å²	15	56.3 Å²	56.3	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-63.1	-46.5	175.8	-174.3	151.3	0	0	0	111.1	L182 T270 A273 N282 T284 C289 L290	L182-L286 HydrophobicContact CD1-CD2 3.85Å; T270-L286 HydrophobicContact CG2-CD1 4.49Å; A273-L286 HydrophobicContact CB-CD1 3.85Å; A273-L286 HydrophobicContact CB-CD2 3.81Å; A273-L286 HydrophobicContact CB-CG 3.74Å; N282-L286 PolarHBondContact O-N 2.78Å; T284-L286 VanDerWaalsContact C-N 3.33Å; T284-L286 PolarHBondContact O-N 2.95Å; L286-C289 PolarHBondContact O-N 3.43Å; L286-L290 HydrophobicContact CD2-CD1 3.69Å; L286-L290 HydrophobicContact CD2-CG 4.37Å; L286-L290 WeakPolarHBondContact O-CG 3.4Å; L286-L290 PolarHBondContact O-N 3.3Å; L286-L290 VanDerWaalsContact O-N 3.08Å
287	V	97.6	Very high	94.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-65.3	-41.8	177.5	171.7	0	0	0	0	111.7	F68 L182 E187 A188 D283 T284 C289 L290 R291	F68-V287 HydrophobicContact CD2-CG1 3.98Å; L182-V287 HydrophobicContact CD1-CG2 3.56Å; E187-V287 HydrophobicContact CB-CB 4.18Å; E187-V287 HydrophobicContact CB-CG1 3.9Å; E187-V287 HydrophobicContact CB-CG2 4.24Å; A188-V287 HydrophobicContact CB-CG2 3.78Å; D283-V287 WeakPolarHBondContact O-CB 3.47Å; D283-V287 VanDerWaalsContact O-CG2 3.24Å; D283-V287 WeakPolarHBondContact O-CG2 3.24Å; D283-V287 PolarHBondContact O-N 3.08Å; T284-V287 PolarHBondContact O-N 2.93Å; V287-C289 VanDerWaalsContact C-N 3.28Å; V287-C289 PolarHBondContact O-N 3.17Å; V287-L290 PolarHBondContact O-N 2.94Å; V287-L290 VanDerWaalsContact O-N 3.15Å; V287-R291 HydrophobicContact CG1-CG 4.26Å; V287-R291 WeakPolarHBondContact O-CG 3.37Å; V287-R291 PolarHBondContact O-N 3.09Å
288	D	96.9	Very high	94.6	Very high	67 Å²	67	53.5 Å²	53.5	36%	0.358	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-36.6	177.8	-79.2	-15.8	0	0	0	111.9	T284 E285 R291 N292	T284-D288 WeakPolarHBondContact O-CB 3.29Å; T284-D288 PolarHBondContact O-N 2.85Å; E285-D288 PolarHBondContact O-N 3.36Å; D288-R291 PolarHBondContact O-N 3.47Å; D288-R291 IonicContact OD1-NH1 3.45Å; D288-R291 PolarHBondContact OD1-NH1 3.26Å; D288-N292 PolarHBondContact O-N 3.38Å; D288-N292 PolarHBondContact O-ND2 3.13Å
289	C	97.9	Very high	94.7	Very high	40 Å²	40	53.4 Å²	53.4	27%	0.27	31%	0.31	S	S	.	.	H	α-helix	trans	-64.1	-46.1	171.5	-177.9	0	0	0	0	112.3	C278 E285 L286 V287 R291 N292	C278-C289 WeakPolarHBondContact CA-SG 3.47Å; C278-C289 HydrophobicContact CB-CB 3.63Å; C278-C289 WeakPolarHBondContact CB-SG 3.48Å; C278-C289 WeakPolarHBondContact SG-CB 3.47Å; C278-C289 CovalentContact SG-SG 2.03Å; C278-C289 PolarHBondContact SG-SG 3.11Å; E285-C289 PolarHBondContact O-N 3.18Å; L286-C289 PolarHBondContact O-N 3.43Å; V287-C289 VanDerWaalsContact C-N 3.28Å; V287-C289 PolarHBondContact O-N 3.17Å; C289-R291 VanDerWaalsContact C-N 3.28Å; C289-R291 PolarHBondContact O-N 3.29Å; C289-N292 PolarHBondContact O-N 3.43Å; C289-N292 VanDerWaalsContact O-N 3.11Å
290	L	98.3	Very high	95.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-34.4	177.3	-71.4	175.2	0	0	0	112.7	R67 F68 L180 A273 V276 L286 V287 N292 K293 L298	R67-L290 PolarHBondContact NH1-O 3.05Å; F68-L290 HydrophobicContact CE2-CB 3.76Å; F68-L290 HydrophobicContact CZ-CB 4.14Å; L180-L290 HydrophobicContact CD1-CD1 3.66Å; A273-L290 HydrophobicContact CB-CD1 4.4Å; A273-L290 HydrophobicContact CB-CD2 4.13Å; A273-L290 HydrophobicContact CB-CG 4.37Å; V276-L290 HydrophobicContact CG2-CD2 3.69Å; L286-L290 HydrophobicContact CD2-CD1 3.69Å; L286-L290 HydrophobicContact CD2-CG 4.37Å; L286-L290 WeakPolarHBondContact O-CG 3.4Å; L286-L290 PolarHBondContact O-N 3.3Å; L286-L290 VanDerWaalsContact O-N 3.08Å; V287-L290 PolarHBondContact O-N 2.94Å; V287-L290 VanDerWaalsContact O-N 3.15Å; L290-N292 VanDerWaalsContact C-N 3.26Å; L290-N292 PolarHBondContact O-N 3Å; L290-K293 WeakPolarHBondContact O-CB 3.39Å; L290-K293 PolarHBondContact O-N 3.37Å; L290-L298 HydrophobicContact CD2-CD2 3.9Å
291	R	98.3	Very high	96.5	Very high	19 Å²	19	52.1 Å²	52.1	7%	0.072	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-27.7	175.6	-74.2	176.1	174.2	152.1	2.2	113.2	K65 R67 F68 E187 V287 D288 C289 K293	K65-R291 VanDerWaalsContact O-CZ 3.23Å; K65-R291 PolarHBondContact O-NH2 3.2Å; R67-R291 HydrophobicContact CB-CG 4.24Å; R67-R291 PolarHBondContact NH1-O 3.03Å; R67-R291 PolarHBondContact O-NE 3.1Å; R67-R291 VanDerWaalsContact O-NE 3.08Å; R67-R291 PolarHBondContact O-NH2 2.74Å; F68-R291 HydrophobicContact CD2-CG 4.09Å; F68-R291 HydrophobicContact CE2-CG 4.01Å; E187-R291 PolarHBondContact O-NH2 3.25Å; E187-R291 IonicContact OE2-CZ 2.66Å; E187-R291 IonicContact OE2-NH1 3.39Å; E187-R291 PolarHBondContact OE2-NH1 2.9Å; E187-R291 IonicContact OE2-NH2 3.19Å; E187-R291 PolarHBondContact OE2-NH2 2.97Å; V287-R291 HydrophobicContact CG1-CG 4.26Å; V287-R291 WeakPolarHBondContact O-CG 3.37Å; V287-R291 PolarHBondContact O-N 3.09Å; D288-R291 PolarHBondContact O-N 3.47Å; D288-R291 IonicContact OD1-NH1 3.45Å; D288-R291 PolarHBondContact OD1-NH1 3.26Å; C289-R291 VanDerWaalsContact C-N 3.28Å; C289-R291 PolarHBondContact O-N 3.29Å; R291-K293 VanDerWaalsContact C-N 3.28Å
292	N	97.3	Very high	97.3	Very high	143 Å²	143	49.5 Å²	49.5	77%	0.765	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-8.3	177.2	-70.5	-27	0	0	0	113.3	D288 C289 L290	D288-N292 PolarHBondContact O-N 3.38Å; D288-N292 PolarHBondContact O-ND2 3.13Å; C289-N292 PolarHBondContact O-N 3.43Å; C289-N292 VanDerWaalsContact O-N 3.11Å; L290-N292 VanDerWaalsContact C-N 3.26Å; L290-N292 PolarHBondContact O-N 3Å
293	K	98.4	Very high	97.6	Very high	42 Å²	42	49.1 Å²	49.1	18%	0.183	25%	0.252	C	S	.	.	S	Bend	trans	-76.7	147.9	174	-59.4	-53.4	-170.5	162	0	111.3	R67 V276 L290 R291 E297 L298	R67-K293 PolarHBondContact NH1-O 3.19Å; R67-K293 PolarHBondContact NH2-O 3.03Å; V276-K293 HydrophobicContact CB-CG 4.37Å; V276-K293 HydrophobicContact CG2-CG 4.07Å; V276-K293 WeakPolarHBondContact O-CE 3.32Å; V276-K293 PolarHBondContact O-NZ 3.04Å; L290-K293 WeakPolarHBondContact O-CB 3.39Å; L290-K293 PolarHBondContact O-N 3.37Å; R291-K293 VanDerWaalsContact C-N 3.28Å; K293-E297 HydrophobicContact CB-CB 4.33Å; K293-E297 IonicContact NZ-OE1 3.35Å; K293-L298 HydrophobicContact CB-CD2 3.86Å; K293-L298 HydrophobicContact CB-CG 4.14Å; K293-L298 HydrophobicContact CG-CD2 4.14Å
294	T	98.6	Very high	97.7	Very high	73 Å²	73	52.1 Å²	52.1	45%	0.448	27%	0.267	S	S	.	.			trans	-65.1	152.9	166.8	62.7	0	0	0	0	109.7	Q296 E297	T294-Q296 PolarHBondContact O-N 2.92Å; T294-E297 WeakPolarHBondContact CB-OE2 3.34Å; T294-E297 WeakPolarHBondContact CG2-OE2 3.43Å; T294-E297 PolarHBondContact N-OE2 2.95Å; T294-E297 PolarHBondContact O-N 3.44Å; T294-E297 VanDerWaalsContact OG1-CG 3.25Å; T294-E297 WeakPolarHBondContact OG1-CG 3.3Å; T294-E297 PolarHBondContact OG1-N 3.3Å; T294-E297 PolarHBondContact OG1-OE2 3.45Å
295	P	98.6	Very high	97.9	Very high	17 Å²	17	49 Å²	49	11%	0.11	25%	0.248	C	C	.	.	H	α-helix	trans	-55.5	-40.2	176.1	-29.7	38.1	0	0	0	113	Y91 E115 F177 E297 L298 I299	Y91-P295 HydrophobicContact CD1-CB 3.7Å; Y91-P295 HydrophobicContact CD2-CB 3.55Å; Y91-P295 HydrophobicContact CD2-CG 3.69Å; Y91-P295 HydrophobicContact CE1-CB 3.88Å; Y91-P295 HydrophobicContact CE1-CG 4.42Å; Y91-P295 HydrophobicContact CE2-CB 3.73Å; Y91-P295 HydrophobicContact CE2-CG 3.52Å; Y91-P295 HydrophobicContact CG-CB 3.53Å; Y91-P295 HydrophobicContact CG-CG 4.21Å; E115-P295 HydrophobicContact CG-CG 4.24Å; F177-P295 HydrophobicContact CE1-CB 3.95Å; F177-P295 HydrophobicContact CE1-CG 4.43Å; F177-P295 HydrophobicContact CZ-CB 3.61Å; P295-E297 PolarHBondContact O-N 2.84Å; P295-L298 PolarHBondContact O-N 2.88Å; P295-I299 WeakPolarHBondContact O-CG1 3.31Å; P295-I299 PolarHBondContact O-N 2.87Å; P295-I299 VanDerWaalsContact O-N 3.15Å
296	Q	98.6	Very high	97.9	Very high	83 Å²	83	45.4 Å²	45.4	39%	0.388	23%	0.232	S	C	.	.	H	α-helix	trans	-65.1	-39.7	-179.5	-164.5	62.2	47.5	0	0	112.7	T294 L298 I299 D300	T294-Q296 PolarHBondContact O-N 2.92Å; Q296-L298 PolarHBondContact O-N 2.96Å; Q296-I299 PolarHBondContact O-N 3.45Å; Q296-I299 VanDerWaalsContact O-N 3.14Å; Q296-D300 PolarHBondContact NE2-OD1 2.94Å; Q296-D300 WeakPolarHBondContact O-CB 3.27Å; Q296-D300 PolarHBondContact O-N 3.02Å
297	E	98.5	Very high	97.5	Very high	73 Å²	73	46.8 Å²	46.8	34%	0.341	24%	0.242	S	C	.	.	H	α-helix	trans	-57	-32.4	175.5	-80.8	170.3	94.8	0	0	112.9	V276 K293 T294 P295	V276-E297 WeakPolarHBondContact CG1-O 3.26Å; K293-E297 HydrophobicContact CB-CB 4.33Å; K293-E297 IonicContact NZ-OE1 3.35Å; T294-E297 WeakPolarHBondContact CB-OE2 3.34Å; T294-E297 WeakPolarHBondContact CG2-OE2 3.43Å; T294-E297 PolarHBondContact N-OE2 2.95Å; T294-E297 PolarHBondContact O-N 3.44Å; T294-E297 VanDerWaalsContact OG1-CG 3.25Å; T294-E297 WeakPolarHBondContact OG1-CG 3.3Å; T294-E297 PolarHBondContact OG1-N 3.3Å; T294-E297 PolarHBondContact OG1-OE2 3.45Å; P295-E297 PolarHBondContact O-N 2.84Å
298	L	98.8	Very high	96.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-77.2	-44.6	176.7	-58.1	-178.4	0	0	0	111.4	F68 F177 L272 V276 L290 K293 P295 Q296 D300 Q301 E302	F68-L298 HydrophobicContact CE1-CD1 4.42Å; F68-L298 HydrophobicContact CZ-CD1 3.87Å; F177-L298 HydrophobicContact CE1-CD1 3.92Å; F177-L298 HydrophobicContact CZ-CB 4.35Å; F177-L298 HydrophobicContact CZ-CD1 4.18Å; L272-L298 HydrophobicContact CD2-CD2 4.39Å; V276-L298 HydrophobicContact CG1-CD2 4.21Å; V276-L298 HydrophobicContact CG2-CD2 4.21Å; L290-L298 HydrophobicContact CD2-CD2 3.9Å; K293-L298 HydrophobicContact CB-CD2 3.86Å; K293-L298 HydrophobicContact CB-CG 4.14Å; K293-L298 HydrophobicContact CG-CD2 4.14Å; P295-L298 PolarHBondContact O-N 2.88Å; Q296-L298 PolarHBondContact O-N 2.96Å; L298-D300 VanDerWaalsContact C-N 3.33Å; L298-D300 PolarHBondContact O-N 2.77Å; L298-Q301 PolarHBondContact O-N 3.34Å; L298-E302 PolarHBondContact O-N 2.82Å; L298-E302 VanDerWaalsContact O-N 3.15Å
299	I	98.8	Very high	96.4	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-43.2	179.8	-67.5	162.1	0	0	0	110.7	Y91 F177 P295 Q296 Q301 E302	Y91-I299 HydrophobicContact CD1-CD1 4.1Å; F177-I299 HydrophobicContact CE2-CD1 4.11Å; F177-I299 HydrophobicContact CE2-CG1 3.92Å; F177-I299 HydrophobicContact CZ-CD1 4.48Å; F177-I299 HydrophobicContact CZ-CG1 4.38Å; P295-I299 WeakPolarHBondContact O-CG1 3.31Å; P295-I299 PolarHBondContact O-N 2.87Å; P295-I299 VanDerWaalsContact O-N 3.15Å; Q296-I299 PolarHBondContact O-N 3.45Å; Q296-I299 VanDerWaalsContact O-N 3.14Å; I299-Q301 PolarHBondContact O-N 3.28Å; I299-Q301 VanDerWaalsContact O-N 3.12Å; I299-E302 WeakPolarHBondContact O-CB 3.49Å; I299-E302 PolarHBondContact O-N 2.81Å; I299-E302 VanDerWaalsContact O-N 3.09Å
300	D	98.4	Very high	96	Very high	97 Å²	97	52.5 Å²	52.5	52%	0.519	27%	0.272	S	S	.	.	H	α-helix	trans	-61	-25.1	-178	-69.5	-14	0	0	0	113	Q296 L298	Q296-D300 PolarHBondContact NE2-OD1 2.94Å; Q296-D300 WeakPolarHBondContact O-CB 3.27Å; Q296-D300 PolarHBondContact O-N 3.02Å; L298-D300 VanDerWaalsContact C-N 3.33Å; L298-D300 PolarHBondContact O-N 2.77Å
301	Q	98.4	Very high	95.7	Very high	56 Å²	56	52.7 Å²	52.7	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-105.1	-3.5	-179.4	-57.4	-55.4	-59.6	0	0	113.1	L272 L275 V276 L298 I299 W303 L304	L272-Q301 HydrophobicContact CD1-CB 3.78Å; L275-Q301 HydrophobicContact CB-CB 4.06Å; L275-Q301 HydrophobicContact CB-CG 4.15Å; L275-Q301 HydrophobicContact CD1-CB 4.29Å; V276-Q301 HydrophobicContact CG1-CB 4.24Å; V276-Q301 HydrophobicContact CG1-CG 3.84Å; L298-Q301 PolarHBondContact O-N 3.34Å; I299-Q301 PolarHBondContact O-N 3.28Å; I299-Q301 VanDerWaalsContact O-N 3.12Å; Q301-W303 PolarHBondContact O-N 2.57Å; Q301-L304 PolarHBondContact O-N 2.83Å
302	E	97.4	Very high	95.6	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.014	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-45.6	-169.3	175.1	160.2	177.5	0	0	112.4	G175 L298 I299 L304 V305 S315 F316	G175-E302 WeakPolarHBondContact CA-OE1 3.3Å; L298-E302 PolarHBondContact O-N 2.82Å; L298-E302 VanDerWaalsContact O-N 3.15Å; I299-E302 WeakPolarHBondContact O-CB 3.49Å; I299-E302 PolarHBondContact O-N 2.81Å; I299-E302 VanDerWaalsContact O-N 3.09Å; E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 3.11Å; E302-V305 VanDerWaalsContact O-CG2 3.25Å; E302-V305 WeakPolarHBondContact O-CG2 3.3Å; E302-V305 PolarHBondContact O-N 3.35Å; E302-S315 WeakPolarHBondContact O-CB 3.33Å; E302-S315 PolarHBondContact O-OG 2.78Å; E302-F316 HydrophobicContact CG-CD2 3.76Å; E302-F316 HydrophobicContact CG-CE2 3.88Å
303	W	97.1	Very high	95.5	Very high	82 Å²	82	46 Å²	46	31%	0.311	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-70.4	-23.3	-176.5	-65.6	103.8	0	0	0	114.1	Y93 Y145 Q301 V305 L306 F314	Y93-W303 AromaticContact CD2-NE1 3.51Å; Y93-W303 AromaticContact CE2-NE1 3.98Å; Y93-W303 AromaticContact CG-NE1 3.71Å; Y145-W303 AromaticContact CD1-CH2 3.75Å; Y145-W303 HydrophobicContact CD1-CH2 3.75Å; Y145-W303 HydrophobicContact CD1-CZ2 4.15Å; Y145-W303 HydrophobicContact CD2-CH2 4.02Å; Y145-W303 AromaticContact CD2-CZ2 3.53Å; Y145-W303 HydrophobicContact CD2-CZ2 3.53Å; Y145-W303 AromaticContact CE1-CH2 3.7Å; Y145-W303 HydrophobicContact CE1-CH2 3.7Å; Y145-W303 HydrophobicContact CE1-CZ2 4.16Å; Y145-W303 AromaticContact CE2-CH2 3.97Å; Y145-W303 HydrophobicContact CE2-CH2 3.97Å; Y145-W303 AromaticContact CE2-CZ2 3.54Å; Y145-W303 HydrophobicContact CE2-CZ2 3.54Å; Y145-W303 AromaticContact CG-CH2 3.92Å; Y145-W303 HydrophobicContact CG-CH2 3.92Å; Y145-W303 AromaticContact CG-CZ2 3.85Å; Y145-W303 HydrophobicContact CG-CZ2 3.85Å; Y145-W303 AromaticContact CZ-CH2 3.8Å; Y145-W303 AromaticContact CZ-CZ2 3.86Å; Q301-W303 PolarHBondContact O-N 2.57Å; W303-V305 PolarHBondContact O-N 3.12Å; W303-L306 HydrophobicContact CE3-CD1 4.09Å; W303-L306 PolarHBondContact O-N 2.98Å; W303-F314 HydrophobicContact CH2-CD1 4.11Å; W303-F314 HydrophobicContact CZ3-CD1 4.26Å
304	L	97.6	Very high	95.5	Very high	105 Å²	105	44.5 Å²	44.5	55%	0.55	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-73.5	-8.7	-177.3	-60.1	-178.2	0	0	0	113.4	L275 Q301 E302 L306	L275-L304 HydrophobicContact CD1-CB 3.74Å; L275-L304 HydrophobicContact CD1-CD1 4.47Å; L275-L304 HydrophobicContact CD2-CD1 4.5Å; Q301-L304 PolarHBondContact O-N 2.83Å; E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 3.11Å; L304-L306 VanDerWaalsContact C-N 3.32Å
305	V	97.9	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-81.6	-14	178.7	-49.4	0	0	0	0	113.1	R267 R268 L271 L272 L275 E302 W303 F316	R267-V305 PolarHBondContact NH1-O 2.69Å; R267-V305 PolarHBondContact NH2-O 3.03Å; R268-V305 HydrophobicContact CB-CB 4.11Å; R268-V305 HydrophobicContact CB-CG2 3.87Å; R268-V305 HydrophobicContact CG-CB 4.3Å; R268-V305 HydrophobicContact CG-CG2 3.95Å; L271-V305 HydrophobicContact CD2-CB 4.35Å; L271-V305 HydrophobicContact CG-CG1 4.41Å; L272-V305 HydrophobicContact CB-CG1 3.9Å; L272-V305 HydrophobicContact CD1-CG1 4.38Å; L275-V305 HydrophobicContact CD1-CG1 4.27Å; E302-V305 VanDerWaalsContact O-CG2 3.25Å; E302-V305 WeakPolarHBondContact O-CG2 3.3Å; E302-V305 PolarHBondContact O-N 3.35Å; W303-V305 PolarHBondContact O-N 3.12Å; V305-F316 HydrophobicContact CG1-CZ 4.33Å; V305-F316 HydrophobicContact CG2-CE2 4.26Å; V305-F316 HydrophobicContact CG2-CZ 4.18Å
306	L	95.6	Very high	95.5	Very high	34 Å²	34	40.5 Å²	40.5	18%	0.178	21%	0.206	C	C	.	.			trans	-61.8	136.7	178.8	-73.1	175.2	0	0	0	110.4	W303 L304 W308 R313	W303-L306 HydrophobicContact CE3-CD1 4.09Å; W303-L306 PolarHBondContact O-N 2.98Å; L304-L306 VanDerWaalsContact C-N 3.32Å; L306-W308 VanDerWaalsContact C-N 3.27Å; L306-W308 PolarHBondContact O-N 3.41Å; L306-R313 HydrophobicContact CD2-CB 4.34Å
307	P	88.8	Confident	95.5	Very high	45 Å²	45	36.7 Å²	36.7	29%	0.292	19%	0.188	S	C	.	.	S	Bend	trans	-73.9	-16.6	-173.7	28.6	-34.8	0	0	0	114
308	W	85.8	Confident	95.5	Very high	109 Å²	109	33.2 Å²	33.2	41%	0.413	17%	0.172	S	C	.	.	S	Bend	trans	-154.5	157.7	-178.9	31.8	69.3	0	0	0	110	L306 A310 P386 H387	L306-W308 VanDerWaalsContact C-N 3.27Å; L306-W308 PolarHBondContact O-N 3.41Å; W308-A310 PolarHBondContact O-N 2.88Å; W308-P386 VanDerWaalsContact CD1-CB 3.49Å; W308-P386 HydrophobicContact CG-CB 4Å; W308-H387 AromaticContact CE2-CE1 3.64Å; W308-H387 AromaticContact CE2-ND1 3.71Å; W308-H387 AromaticContact CH2-ND1 3.78Å; W308-H387 AromaticContact CZ2-CE1 3.14Å; W308-H387 WeakPolarHBondContact CZ2-CE1 3.44Å; W308-H387 AromaticContact CZ2-ND1 3.17Å; W308-H387 WeakPolarHBondContact CZ2-ND1 3.39Å; W308-H387 AromaticContact NE1-CE1 3.78Å
309	S	85.4	Confident	95.5	Very high	95 Å²	95	33.3 Å²	33.3	66%	0.664	17%	0.172	S	C	*	.			trans	-65.5	124.1	164.4	-169.2	0	0	0	0	108.6
310	A	90.6	Very high	95.5	Very high	22 Å²	22	34.1 Å²	34.1	18%	0.182	18%	0.178	C	C	.	.			trans	-154.3	150.4	-178	0	0	0	0	0	111.2	W308 R313 L383 P386	W308-A310 PolarHBondContact O-N 2.88Å; A310-R313 HydrophobicContact CB-CB 4.17Å; A310-R313 HydrophobicContact CB-CG 3.73Å; A310-L383 WeakPolarHBondContact CA-O 3.28Å; A310-P386 HydrophobicContact CB-CB 3.93Å; A310-P386 HydrophobicContact CB-CG 3.69Å
311	L	91.5	Very high	95.3	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	16%	0.159	C	C	.	.	S	Bend	trans	-80.3	148.1	166.6	-60.9	178.9	0	0	0	109.6	R313 L356 G359 A360 L383 V420	L311-R313 VanDerWaalsContact C-N 3.27Å; L311-R313 PolarHBondContact O-N 2.88Å; L311-L356 HydrophobicContact CD1-CD2 3.79Å; L311-G359 VanDerWaalsContact CD2-CA 3.44Å; L311-A360 HydrophobicContact CD1-CB 4.31Å; L311-A360 HydrophobicContact CD2-CB 4.5Å; L311-L383 HydrophobicContact CD1-CB 4.3Å; L311-L383 HydrophobicContact CG-CB 3.85Å; L311-L383 PolarHBondContact N-O 3.38Å; L311-V420 HydrophobicContact CD1-CG2 3.93Å
312	F	94.9	Very high	95.1	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.026	17%	0.172	C	C	.	.	S	Bend	trans	55.4	42.1	169.5	-141.4	143.1	0	0	0	112.4	W257 F314 F355 V420 N424 V425	W257-F312 HydrophobicContact CB-CD2 4.29Å; W257-F312 WeakPolarHBondContact CB-O 3.35Å; W257-F312 AromaticContact CD1-CD2 3.4Å; W257-F312 VanDerWaalsContact CD1-CD2 3.4Å; W257-F312 AromaticContact CD1-CE2 3.51Å; W257-F312 HydrophobicContact CD2-CD2 4.16Å; W257-F312 AromaticContact CD2-CE2 3.84Å; W257-F312 HydrophobicContact CD2-CE2 3.84Å; W257-F312 AromaticContact CE2-CE2 3.5Å; W257-F312 AromaticContact CG-CD2 3.71Å; W257-F312 HydrophobicContact CG-CD2 3.71Å; W257-F312 AromaticContact CG-CE2 3.87Å; W257-F312 HydrophobicContact CG-CE2 3.87Å; W257-F312 HydrophobicContact CZ2-CE2 4.13Å; W257-F312 HydrophobicContact CZ2-CZ 4.5Å; W257-F312 AromaticContact NE1-CD2 3.7Å; W257-F312 AromaticContact NE1-CE2 3.27Å; W257-F312 VanDerWaalsContact NE1-CE2 3.27Å; W257-F312 AromaticContact NE1-CZ 3.72Å; F312-F314 AromaticContact CD2-CE2 3.78Å; F312-F314 HydrophobicContact CD2-CE2 3.78Å; F312-F314 AromaticContact CD2-CZ 3.53Å; F312-F314 HydrophobicContact CD2-CZ 3.53Å; F312-F314 AromaticContact CE2-CE2 3.93Å; F312-F314 HydrophobicContact CE2-CE2 3.93Å; F312-F314 AromaticContact CE2-CZ 3.76Å; F312-F314 HydrophobicContact CE2-CZ 3.76Å; F312-F355 HydrophobicContact CB-CD1 4.27Å; F312-F355 HydrophobicContact CB-CG 4.35Å; F312-F355 HydrophobicContact CD1-CB 4.35Å; F312-F355 AromaticContact CD1-CD1 3.99Å; F312-F355 HydrophobicContact CD1-CD1 3.99Å; F312-F355 AromaticContact CD1-CD2 3.37Å; F312-F355 HydrophobicContact CD1-CD2 3.37Å; F312-F355 HydrophobicContact CD1-CE1 4.13Å; F312-F355 AromaticContact CD1-CE2 3.55Å; F312-F355 HydrophobicContact CD1-CE2 3.55Å; F312-F355 AromaticContact CD1-CG 3.61Å; F312-F355 HydrophobicContact CD1-CG 3.61Å; F312-F355 AromaticContact CD1-CZ 3.92Å; F312-F355 HydrophobicContact CD1-CZ 3.92Å; F312-F355 HydrophobicContact CD2-CD1 4.28Å; F312-F355 AromaticContact CD2-CE1 3.92Å; F312-F355 HydrophobicContact CD2-CE1 3.92Å; F312-F355 HydrophobicContact CD2-CE2 4.48Å; F312-F355 HydrophobicContact CD2-CZ 4.03Å; F312-F355 HydrophobicContact CE1-CD1 4.4Å; F312-F355 AromaticContact CE1-CD2 3.33Å; F312-F355 HydrophobicContact CE1-CD2 3.33Å; F312-F355 HydrophobicContact CE1-CE1 4.16Å; F312-F355 AromaticContact CE1-CE2 3.03Å; F312-F355 HydrophobicContact CE1-CE2 3.03Å; F312-F355 HydrophobicContact CE1-CG 4.02Å; F312-F355 AromaticContact CE1-CZ 3.49Å; F312-F355 HydrophobicContact CE1-CZ 3.49Å; F312-F355 VanDerWaalsContact CE1-CZ 3.49Å; F312-F355 AromaticContact CE2-CE1 3.91Å; F312-F355 HydrophobicContact CE2-CE1 3.91Å; F312-F355 HydrophobicContact CE2-CE2 4.05Å; F312-F355 AromaticContact CE2-CZ 3.58Å; F312-F355 HydrophobicContact CE2-CZ 3.58Å; F312-F355 AromaticContact CG-CD1 3.93Å; F312-F355 HydrophobicContact CG-CD1 3.93Å; F312-F355 HydrophobicContact CG-CD2 4.16Å; F312-F355 HydrophobicContact CG-CE1 4.01Å; F312-F355 HydrophobicContact CG-CE2 4.26Å; F312-F355 AromaticContact CG-CG 3.99Å; F312-F355 HydrophobicContact CG-CG 3.99Å; F312-F355 HydrophobicContact CG-CZ 4.18Å; F312-F355 HydrophobicContact CZ-CD2 4.06Å; F312-F355 HydrophobicContact CZ-CE1 4.04Å; F312-F355 AromaticContact CZ-CE2 3.31Å; F312-F355 HydrophobicContact CZ-CE2 3.31Å; F312-F355 AromaticContact CZ-CZ 3.29Å; F312-F355 HydrophobicContact CZ-CZ 3.29Å; F312-V420 HydrophobicContact CD1-CG1 4Å; F312-N424 HydrophobicContact CB-CB 4.36Å; F312-N424 HydrophobicContact CD1-CB 3.45Å; F312-N424 VanDerWaalsContact CD1-CB 3.45Å; F312-N424 HydrophobicContact CD2-CB 4.37Å; F312-N424 HydrophobicContact CE1-CB 3.71Å; F312-N424 HydrophobicContact CG-CB 3.81Å; F312-N424 HydrophobicContact CZ-CB 4.31Å; F312-V425 HydrophobicContact CE1-CG2 3.76Å; F312-V425 HydrophobicContact CZ-CG2 3.75Å
313	R	96.5	Very high	95	Very high	16 Å²	16	35.8 Å²	35.8	6%	0.06	20%	0.201	C	C	.	.			trans	-129.3	137	172.5	-67.5	-65.3	177.9	-81.5	-0.6	108.8	L306 A310 L311 H423 N424	L306-R313 HydrophobicContact CD2-CB 4.34Å; A310-R313 HydrophobicContact CB-CB 4.17Å; A310-R313 HydrophobicContact CB-CG 3.73Å; L311-R313 VanDerWaalsContact C-N 3.27Å; L311-R313 PolarHBondContact O-N 2.88Å; R313-H423 PolarHBondContact NH2-NE2 2.89Å; R313-N424 PolarHBondContact NH1-OD1 2.86Å
314	F	97.8	Very high	95	Very high	10 Å²	10	32 Å²	32	4%	0.044	19%	0.187	C	C	.	.			trans	-123.3	148.5	-174.7	-43.1	-64.4	0	0	0	110.5	G143 Y145 W257 R268 W303 F312 V317 F355	G143-F314 VanDerWaalsContact CA-CE2 3.46Å; G143-F314 VanDerWaalsContact O-CB 3.24Å; G143-F314 WeakPolarHBondContact O-CB 3.2Å; G143-F314 WeakPolarHBondContact O-CD2 3.37Å; G143-F314 WeakPolarHBondContact O-CG 3.34Å; Y145-F314 HydrophobicContact CD1-CB 4.26Å; Y145-F314 AromaticContact CD1-CD1 3.52Å; Y145-F314 HydrophobicContact CD1-CD1 3.52Å; Y145-F314 HydrophobicContact CD1-CE1 4.1Å; Y145-F314 HydrophobicContact CD1-CG 4.01Å; Y145-F314 AromaticContact CE1-CD1 3.49Å; Y145-F314 HydrophobicContact CE1-CD1 3.49Å; Y145-F314 VanDerWaalsContact CE1-CD1 3.49Å; Y145-F314 AromaticContact CE1-CE1 3.61Å; Y145-F314 HydrophobicContact CE1-CE1 3.61Å; Y145-F314 HydrophobicContact CE1-CG 4.37Å; W257-F314 HydrophobicContact CB-CD2 4.22Å; W257-F314 HydrophobicContact CB-CE2 4.1Å; W257-F314 HydrophobicContact CD2-CD2 4.49Å; W257-F314 AromaticContact CD2-CE2 3.9Å; W257-F314 HydrophobicContact CD2-CE2 3.9Å; W257-F314 HydrophobicContact CE3-CD2 4.02Å; W257-F314 AromaticContact CE3-CE2 3.67Å; W257-F314 HydrophobicContact CE3-CE2 3.67Å; W257-F314 HydrophobicContact CG-CE2 4.08Å; W257-F314 HydrophobicContact CZ3-CE2 4.43Å; R268-F314 PolarHBondContact NH1-O 3.45Å; W303-F314 HydrophobicContact CH2-CD1 4.11Å; W303-F314 HydrophobicContact CZ3-CD1 4.26Å; F312-F314 AromaticContact CD2-CE2 3.78Å; F312-F314 HydrophobicContact CD2-CE2 3.78Å; F312-F314 AromaticContact CD2-CZ 3.53Å; F312-F314 HydrophobicContact CD2-CZ 3.53Å; F312-F314 AromaticContact CE2-CE2 3.93Å; F312-F314 HydrophobicContact CE2-CE2 3.93Å; F312-F314 AromaticContact CE2-CZ 3.76Å; F312-F314 HydrophobicContact CE2-CZ 3.76Å; F314-V317 HydrophobicContact CB-CG1 3.74Å; F314-V317 HydrophobicContact CD2-CG1 4.46Å; F314-F355 HydrophobicContact CE1-CE1 4.34Å; F314-F355 HydrophobicContact CZ-CE1 4.02Å
315	S	98.2	Very high	95	Very high	2 Å²	2	27 Å²	27	1%	0.014	16%	0.161	C	C	.	.	S	Bend	trans	-69.2	-53.7	-168.6	-69.1	0	0	0	0	113.7	R268 E302	R268-S315 WeakPolarHBondContact CD-O 3.4Å; R268-S315 PolarHBondContact NH1-O 3.17Å; E302-S315 WeakPolarHBondContact O-CB 3.33Å; E302-S315 PolarHBondContact O-OG 2.78Å
316	F	98.8	Very high	94.8	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.018	18%	0.178	C	C	.	.	S	Bend	trans	-118.4	106.9	-178.4	-62.8	-77.9	0	0	0	109.2	G175 A176 F179 L180 R268 L272 E302 V305	G175-F316 VanDerWaalsContact C-CB 3.48Å; G175-F316 WeakPolarHBondContact O-CB 3.11Å; A176-F316 HydrophobicContact CB-CD2 3.82Å; A176-F316 HydrophobicContact CB-CE2 3.84Å; A176-F316 HydrophobicContact CB-CG 4.28Å; A176-F316 HydrophobicContact CB-CZ 4.32Å; F179-F316 VanDerWaalsContact CB-C 3.45Å; F179-F316 HydrophobicContact CB-CB 3.76Å; F179-F316 WeakPolarHBondContact CB-O 3.47Å; L180-F316 HydrophobicContact CB-CD1 4.41Å; L180-F316 HydrophobicContact CG-CE1 4.46Å; R268-F316 HydrophobicContact CB-CE1 4.17Å; L272-F316 HydrophobicContact CB-CZ 3.96Å; L272-F316 HydrophobicContact CD2-CE2 3.89Å; L272-F316 HydrophobicContact CD2-CZ 3.6Å; L272-F316 HydrophobicContact CG-CZ 4.28Å; E302-F316 HydrophobicContact CG-CD2 3.76Å; E302-F316 HydrophobicContact CG-CE2 3.88Å; V305-F316 HydrophobicContact CG1-CZ 4.33Å; V305-F316 HydrophobicContact CG2-CE2 4.26Å; V305-F316 HydrophobicContact CG2-CZ 4.18Å
317	V	98.9	Very high	94.8	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.018	19%	0.191	C	C	.	.			trans	-129.7	168.8	-177.1	-58.4	0	0	0	0	108.9	F144 V260 F314	F144-V317 HydrophobicContact CB-CG1 4.36Å; F144-V317 HydrophobicContact CD2-CB 4.1Å; F144-V317 HydrophobicContact CD2-CG1 3.99Å; V260-V317 HydrophobicContact CB-CG2 4.4Å; V260-V317 HydrophobicContact CG1-CG2 3.75Å; V260-V317 HydrophobicContact CG2-CG2 4.03Å; F314-V317 HydrophobicContact CB-CG1 3.74Å; F314-V317 HydrophobicContact CD2-CG1 4.46Å
318	P	98.9	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.			trans	-46.9	143.3	174.9	-32.9	36.4	0	0	0	114.9	F144 F179 N191 L194 F232 A258 S259 V260	F144-P318 HydrophobicContact CD1-CG 4.46Å; F144-P318 HydrophobicContact CE1-CG 4.12Å; F144-P318 HydrophobicContact CE2-CG 4.17Å; F144-P318 HydrophobicContact CZ-CG 3.97Å; F179-P318 HydrophobicContact CD1-CG 4.11Å; F179-P318 HydrophobicContact CE1-CG 3.74Å; N191-P318 WeakPolarHBondContact OD1-CA 3.36Å; L194-P318 HydrophobicContact CD1-CB 3.87Å; L194-P318 HydrophobicContact CD1-CG 3.79Å; L194-P318 HydrophobicContact CG-CG 4.25Å; F232-P318 HydrophobicContact CD2-CG 4.13Å; F232-P318 HydrophobicContact CE2-CB 4.04Å; F232-P318 HydrophobicContact CE2-CG 3.69Å; F232-P318 HydrophobicContact CZ-CB 4.18Å; F232-P318 HydrophobicContact CZ-CG 4.3Å; A258-P318 VanDerWaalsContact O-CD 3.3Å; A258-P318 WeakPolarHBondContact O-CD 3.1Å; S259-P318 CarbonylContact C-O 3.3Å; S259-P318 WeakPolarHBondContact CA-O 3.46Å; S259-P318 WeakPolarHBondContact CB-O 3.46Å; V260-P318 PolarHBondContact N-O 2.94Å
319	V	98.7	Very high	95.7	Very high	1 Å²	1	28 Å²	28	1%	0.006	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-112.8	142.1	178.6	60.5	0	0	0	0	110.2	A181 N191 V260 P262 A265 D321	A181-V319 HydrophobicContact CB-CB 4.22Å; A181-V319 HydrophobicContact CB-CG1 3.76Å; N191-V319 PolarHBondContact ND2-O 3.27Å; N191-V319 PolarHBondContact OD1-N 3.39Å; V260-V319 WeakPolarHBondContact O-CA 3.27Å; P262-V319 HydrophobicContact CB-CG2 4.41Å; P262-V319 HydrophobicContact CG-CG2 4.15Å; A265-V319 HydrophobicContact CB-CB 4.16Å; A265-V319 HydrophobicContact CB-CG2 3.79Å; V319-D321 HydrophobicContact CG1-CB 4.27Å; V319-D321 PolarHBondContact O-N 3.39Å
320	V	98	Very high	96.1	Very high	22 Å²	22	27.2 Å²	27.2	13%	0.133	16%	0.163	C	C	.	.			trans	-75.4	91.3	172	-177.6	0	0	0	0	109.1	V260 P262 D327 T328	V260-V320 PolarHBondContact O-N 3.11Å; V260-V320 VanDerWaalsContact O-N 3.1Å; P262-V320 WeakPolarHBondContact CD-O 3.26Å; P262-V320 WeakPolarHBondContact CG-O 3.44Å; V320-D327 VanDerWaalsContact CG1-C 3.41Å; V320-T328 HydrophobicContact CG1-CG2 4.4Å; V320-T328 HydrophobicContact CG2-CG2 4.36Å
321	D	95.5	Very high	96.2	Very high	22 Å²	22	27.6 Å²	27.6	12%	0.118	17%	0.166	C	C	.	.			trans	-96.5	-8.6	-167.5	58.7	2.1	0	0	0	115	H183 N191 V319 D323 F324 L325	H183-D321 PolarHBondContact CE1-O 3.18Å; N191-D321 VanDerWaalsContact ND2-CG 3.25Å; N191-D321 PolarHBondContact ND2-OD2 2.91Å; V319-D321 HydrophobicContact CG1-CB 4.27Å; V319-D321 PolarHBondContact O-N 3.39Å; D321-D323 PolarHBondContact O-N 3.29Å; D321-D323 PolarHBondContact OD1-N 3.2Å; D321-F324 PolarHBondContact OD1-N 3.27Å; D321-F324 WeakPolarHBondContact OD2-CB 3.44Å; D321-F324 PolarHBondContact OD2-N 3.06Å; D321-L325 PolarHBondContact OD1-N 3.23Å
322	G	93.9	Very high	96.3	Very high	53 Å²	53	27.5 Å²	27.5	55%	0.546	17%	0.166	S	C	.	.	S	Bend	trans	75.2	4.7	-173.6	0	0	0	0	0	114.2	L325	G322-L325 VanDerWaalsContact CA-O 3.3Å; G322-L325 WeakPolarHBondContact CA-O 3.35Å; G322-L325 PolarHBondContact N-O 2.92Å
323	D	94.1	Very high	96.3	Very high	116 Å²	116	27.2 Å²	27.2	62%	0.62	17%	0.165	S	C	*	.	S	Bend	trans	-122.9	-75.9	179.9	-177	21.6	0	0	0	110.8	D321 L325	D321-D323 PolarHBondContact O-N 3.29Å; D321-D323 PolarHBondContact OD1-N 3.2Å; D323-L325 VanDerWaalsContact C-N 3.33Å
324	F	97.9	Very high	96	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.013	18%	0.183	C	C	.	.	S	Bend	trans	-62	-46.1	171.6	-167.7	-66.3	0	0	0	110.4	N191 L194 L195 F232 H233 S236 D321 P326	N191-F324 HydrophobicContact CB-CB 4.37Å; L194-F324 HydrophobicContact CB-CD2 3.96Å; L194-F324 HydrophobicContact CB-CE1 4.17Å; L194-F324 HydrophobicContact CB-CE2 3.42Å; L194-F324 VanDerWaalsContact CB-CE2 3.42Å; L194-F324 HydrophobicContact CB-CZ 3.56Å; L194-F324 HydrophobicContact CD1-CD1 3.96Å; L194-F324 HydrophobicContact CD1-CE1 3.74Å; L194-F324 HydrophobicContact CD1-CE2 4.42Å; L194-F324 HydrophobicContact CD1-CG 4.44Å; L194-F324 HydrophobicContact CD1-CZ 4.02Å; L194-F324 HydrophobicContact CG-CE1 4.45Å; L194-F324 HydrophobicContact CG-CE2 4.49Å; L194-F324 HydrophobicContact CG-CZ 4.24Å; L195-F324 HydrophobicContact CD2-CD2 3.72Å; L195-F324 HydrophobicContact CD2-CE2 4.13Å; L195-F324 HydrophobicContact CG-CD2 4.32Å; F232-F324 HydrophobicContact CB-CE1 4.11Å; H233-F324 AromaticContact CE1-CZ 3.82Å; H233-F324 AromaticContact ND1-CZ 3.71Å; S236-F324 WeakPolarHBondContact CA-O 3.27Å; S236-F324 VanDerWaalsContact CB-CE1 3.41Å; S236-F324 VanDerWaalsContact CB-O 3.26Å; S236-F324 WeakPolarHBondContact CB-O 3.47Å; S236-F324 PolarHBondContact OG-O 2.75Å; D321-F324 PolarHBondContact OD1-N 3.27Å; D321-F324 WeakPolarHBondContact OD2-CB 3.44Å; D321-F324 PolarHBondContact OD2-N 3.06Å; F324-P326 WeakPolarHBondContact O-CD 3.33Å
325	L	97	Very high	95.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-113.2	95.5	174.6	-64.6	-179.1	0	0	0	108.5	F232 D321 G322 D323 D327	F232-L325 HydrophobicContact CD1-CD1 4.02Å; F232-L325 HydrophobicContact CD1-CD2 3.73Å; F232-L325 HydrophobicContact CE1-CD1 3.98Å; F232-L325 HydrophobicContact CE1-CD2 4.42Å; F232-L325 HydrophobicContact CG-CD2 4.49Å; D321-L325 PolarHBondContact OD1-N 3.23Å; G322-L325 VanDerWaalsContact CA-O 3.3Å; G322-L325 WeakPolarHBondContact CA-O 3.35Å; G322-L325 PolarHBondContact N-O 2.92Å; D323-L325 VanDerWaalsContact C-N 3.33Å; L325-D327 PolarHBondContact O-N 3.29Å; L325-D327 VanDerWaalsContact O-N 3.12Å
326	P	94.3	Very high	95.3	Very high	56 Å²	56	34 Å²	34	36%	0.364	21%	0.21	S	C	.	.	S	Bend	trans	-55.7	-28.8	179.7	-29	35.4	0	0	0	114.6	P237 F324 M332	P237-P326 HydrophobicContact CG-CG 4.12Å; F324-P326 WeakPolarHBondContact O-CD 3.33Å; P326-M332 HydrophobicContact CG-CE 4.23Å
327	D	95.9	Very high	94.9	Very high	85 Å²	85	36.9 Å²	36.9	46%	0.455	23%	0.226	S	C	.	.	S	Bend	trans	-152.5	178.4	176.3	-155.8	-26.9	0	0	0	108.8	V320 L325 A331 M332	V320-D327 VanDerWaalsContact CG1-C 3.41Å; L325-D327 PolarHBondContact O-N 3.29Å; L325-D327 VanDerWaalsContact O-N 3.12Å; D327-A331 HydrophobicContact CB-CB 4.33Å; D327-M332 HydrophobicContact CB-CG 4.11Å
328	T	95.8	Very high	94.7	Very high	62 Å²	62	37.1 Å²	37.1	38%	0.38	23%	0.227	S	C	.	.			trans	-55.5	143.7	174	64.1	0	0	0	0	111.1	V320 E330 A331 M332	V320-T328 HydrophobicContact CG1-CG2 4.4Å; V320-T328 HydrophobicContact CG2-CG2 4.36Å; T328-E330 PolarHBondContact O-N 2.85Å; T328-A331 PolarHBondContact O-N 3.18Å; T328-A331 VanDerWaalsContact OG1-CB 3.23Å; T328-A331 WeakPolarHBondContact OG1-CB 3.33Å; T328-A331 PolarHBondContact OG1-N 3.26Å; T328-M332 WeakPolarHBondContact O-CG 3.28Å; T328-M332 PolarHBondContact O-N 3.12Å
329	P	96.8	Very high	94.5	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.032	24%	0.236	C	C	.	.	H	α-helix	trans	-52.2	-42.8	177.3	-30.7	37.7	0	0	0	112.9	F232 L235 P253 N254 A331 M332 I333	F232-P329 HydrophobicContact CE1-CG 3.77Å; L235-P329 HydrophobicContact CD1-CB 3.79Å; L235-P329 HydrophobicContact CD1-CG 4.36Å; P253-P329 HydrophobicContact CB-CB 4.29Å; P253-P329 WeakPolarHBondContact O-CB 3.5Å; P253-P329 WeakPolarHBondContact O-CG 3.32Å; N254-P329 HydrophobicContact CB-CB 4.36Å; P329-A331 PolarHBondContact O-N 3.46Å; P329-M332 PolarHBondContact O-N 2.87Å; P329-I333 HydrophobicContact CB-CD1 4.45Å; P329-I333 WeakPolarHBondContact O-CB 3.19Å; P329-I333 VanDerWaalsContact O-CD1 3.25Å; P329-I333 WeakPolarHBondContact O-CD1 3.45Å; P329-I333 WeakPolarHBondContact O-CG1 3.39Å; P329-I333 PolarHBondContact O-N 2.94Å
330	E	93.3	Very high	94.2	Very high	78 Å²	78	41.8 Å²	41.8	36%	0.364	25%	0.25	S	C	.	.	H	α-helix	trans	-58.6	-45.8	177.3	-173.3	61.4	-157.5	0	0	112.1	T328 I333 N334 H431	T328-E330 PolarHBondContact O-N 2.85Å; E330-I333 PolarHBondContact O-N 3.36Å; E330-N334 VanDerWaalsContact O-CB 3.28Å; E330-N334 WeakPolarHBondContact O-CB 3.29Å; E330-N334 VanDerWaalsContact O-CG 3.27Å; E330-N334 PolarHBondContact O-N 2.97Å; E330-N334 PolarHBondContact O-ND2 3.38Å; E330-N334 PolarHBondContact OE1-ND2 2.87Å; E330-H431 IonicContact OE1-CE1 2.94Å; E330-H431 PolarHBondContact OE1-CE1 3.24Å; E330-H431 IonicContact OE1-NE2 2.87Å; E330-H431 PolarHBondContact OE1-NE2 3.23Å; E330-H431 IonicContact OE2-CD2 3.2Å; E330-H431 IonicContact OE2-NE2 3.94Å
331	A	92.6	Very high	94	Very high	31 Å²	31	41.2 Å²	41.2	26%	0.256	25%	0.246	S	C	.	.	H	α-helix	trans	-65.1	-40.7	176.8	0	0	0	0	0	112.2	D327 T328 P329 N334 S335	D327-A331 HydrophobicContact CB-CB 4.33Å; T328-A331 PolarHBondContact O-N 3.18Å; T328-A331 VanDerWaalsContact OG1-CB 3.23Å; T328-A331 WeakPolarHBondContact OG1-CB 3.33Å; T328-A331 PolarHBondContact OG1-N 3.26Å; P329-A331 PolarHBondContact O-N 3.46Å; A331-N334 PolarHBondContact O-N 3.05Å; A331-S335 VanDerWaalsContact O-CB 3.3Å; A331-S335 WeakPolarHBondContact O-CB 3.31Å; A331-S335 PolarHBondContact O-N 3.2Å; A331-S335 PolarHBondContact O-OG 3.04Å
332	M	94.8	Very high	94	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-40.1	178.5	-63.4	-175.8	73.3	0	0	112.3	L235 P326 D327 T328 P329 S335 G336 N337	L235-M332 HydrophobicContact CB-CE 3.87Å; L235-M332 HydrophobicContact CB-SD 4.11Å; L235-M332 HydrophobicContact CD1-CB 4.4Å; L235-M332 HydrophobicContact CD1-SD 4.41Å; L235-M332 HydrophobicContact CD2-CB 4.17Å; L235-M332 WeakPolarHBondContact O-CE 3.48Å; P326-M332 HydrophobicContact CG-CE 4.23Å; D327-M332 HydrophobicContact CB-CG 4.11Å; T328-M332 WeakPolarHBondContact O-CG 3.28Å; T328-M332 PolarHBondContact O-N 3.12Å; P329-M332 PolarHBondContact O-N 2.87Å; M332-S335 PolarHBondContact O-OG 3.24Å; M332-G336 PolarHBondContact O-N 3.2Å; M332-G336 VanDerWaalsContact O-N 3.12Å; M332-N337 WeakPolarHBondContact CE-O 3.16Å; M332-N337 PolarHBondContact O-N 2.84Å
333	I	94.1	Very high	94.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-48.6	175	-69.1	158.1	0	0	0	110.2	L235 P253 N254 P329 E330 S335 G336 F432 H439	L235-I333 HydrophobicContact CD2-CG1 4.22Å; P253-I333 HydrophobicContact CG-CD1 4.48Å; N254-I333 HydrophobicContact CB-CD1 3.61Å; P329-I333 HydrophobicContact CB-CD1 4.45Å; P329-I333 WeakPolarHBondContact O-CB 3.19Å; P329-I333 VanDerWaalsContact O-CD1 3.25Å; P329-I333 WeakPolarHBondContact O-CD1 3.45Å; P329-I333 WeakPolarHBondContact O-CG1 3.39Å; P329-I333 PolarHBondContact O-N 2.94Å; E330-I333 PolarHBondContact O-N 3.36Å; I333-S335 VanDerWaalsContact C-N 3.33Å; I333-S335 PolarHBondContact O-N 2.79Å; I333-G336 PolarHBondContact O-N 3.43Å; I333-F432 HydrophobicContact CD1-CD2 3.62Å; I333-F432 HydrophobicContact CD1-CE2 4.12Å; I333-F432 HydrophobicContact CG1-CD2 3.87Å; I333-F432 HydrophobicContact CG1-CE2 4Å; I333-H439 PolarHBondContact O-CD2 2.84Å; I333-H439 VanDerWaalsContact O-CD2 3.3Å; I333-H439 PolarHBondContact O-NE2 3.17Å
334	N	90.1	Very high	94.5	Very high	82 Å²	82	32.3 Å²	32.3	44%	0.439	19%	0.186	S	C	.	.	H	α-helix	trans	-65.8	-34.3	-178.8	-76	-39.4	0	0	0	112.8	E330 A331 H439	E330-N334 VanDerWaalsContact O-CB 3.28Å; E330-N334 WeakPolarHBondContact O-CB 3.29Å; E330-N334 VanDerWaalsContact O-CG 3.27Å; E330-N334 PolarHBondContact O-N 2.97Å; E330-N334 PolarHBondContact O-ND2 3.38Å; E330-N334 PolarHBondContact OE1-ND2 2.87Å; A331-N334 PolarHBondContact O-N 3.05Å; N334-H439 PolarHBondContact O-CE1 3.2Å; N334-H439 VanDerWaalsContact O-CE1 3.26Å; N334-H439 PolarHBondContact O-NE2 2.9Å
335	S	90.2	Very high	94.5	Very high	78 Å²	78	32.2 Å²	32.2	55%	0.545	19%	0.186	S	C	.	.	H	α-helix	trans	-83.8	-9.1	177.6	59.9	0	0	0	0	114.6	A331 M332 I333 N337	A331-S335 VanDerWaalsContact O-CB 3.3Å; A331-S335 WeakPolarHBondContact O-CB 3.31Å; A331-S335 PolarHBondContact O-N 3.2Å; A331-S335 PolarHBondContact O-OG 3.04Å; M332-S335 PolarHBondContact O-OG 3.24Å; I333-S335 VanDerWaalsContact C-N 3.33Å; I333-S335 PolarHBondContact O-N 2.79Å; S335-N337 VanDerWaalsContact C-N 3.3Å
336	G	90.8	Very high	94.6	Very high	9 Å²	9	32.2 Å²	32.2	9%	0.093	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	16.1	-177.6	0	0	0	0	0	114.2	M332 I333 F338 H439 K443	M332-G336 PolarHBondContact O-N 3.2Å; M332-G336 VanDerWaalsContact O-N 3.12Å; I333-G336 PolarHBondContact O-N 3.43Å; G336-F338 VanDerWaalsContact C-N 3.28Å; G336-F338 PolarHBondContact O-N 3.25Å; G336-H439 PolarHBondContact N-CE1 2.67Å; G336-H439 PolarHBondContact N-NE2 3.29Å; G336-K443 PolarHBondContact O-NZ 3.2Å
337	N	91.1	Very high	94.8	Very high	65 Å²	65	29.5 Å²	29.5	35%	0.348	17%	0.168	S	C	.	.			trans	-82.5	69.6	179.9	-174.1	12	0	0	0	111.5	R240 M332 S335	R240-N337 PolarHBondContact NH2-O 2.96Å; R240-N337 VanDerWaalsContact NH2-O 3.1Å; R240-N337 PolarHBondContact NH2-OD1 2.93Å; M332-N337 WeakPolarHBondContact CE-O 3.16Å; M332-N337 PolarHBondContact O-N 2.84Å; S335-N337 VanDerWaalsContact C-N 3.3Å
338	F	94.9	Very high	95	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.035	15%	0.147	C	C	.	.	S	Bend	trans	-149.7	165	176.9	49.2	-106.5	0	0	0	110.7	L234 L235 G336 D340 Y436 H439	L234-F338 WeakPolarHBondContact O-CA 3.14Å; L235-F338 HydrophobicContact CD2-CB 3.73Å; L235-F338 HydrophobicContact CD2-CD1 4.38Å; L235-F338 HydrophobicContact CD2-CG 4.5Å; G336-F338 VanDerWaalsContact C-N 3.28Å; G336-F338 PolarHBondContact O-N 3.25Å; F338-D340 PolarHBondContact O-N 3.01Å; F338-Y436 AromaticContact CD2-CD2 3.77Å; F338-Y436 HydrophobicContact CD2-CD2 3.77Å; F338-Y436 AromaticContact CD2-CE2 3.38Å; F338-Y436 HydrophobicContact CD2-CE2 3.38Å; F338-Y436 HydrophobicContact CE1-CD2 4.44Å; F338-Y436 AromaticContact CE2-CD2 3.44Å; F338-Y436 HydrophobicContact CE2-CD2 3.44Å; F338-Y436 VanDerWaalsContact CE2-CD2 3.44Å; F338-Y436 AromaticContact CE2-CE2 3.43Å; F338-Y436 HydrophobicContact CE2-CE2 3.43Å; F338-Y436 VanDerWaalsContact CE2-CE2 3.43Å; F338-Y436 HydrophobicContact CE2-CG 4.06Å; F338-Y436 HydrophobicContact CG-CD2 4.4Å; F338-Y436 HydrophobicContact CG-CE2 4.2Å; F338-Y436 AromaticContact CZ-CD2 3.81Å; F338-Y436 HydrophobicContact CZ-CD2 3.81Å; F338-Y436 HydrophobicContact CZ-CE2 4.25Å; F338-Y436 HydrophobicContact CZ-CG 4.27Å; F338-H439 HydrophobicContact CE2-CB 4.45Å; F338-H439 HydrophobicContact CZ-CB 3.73Å
339	K	95	Very high	95.1	Very high	44 Å²	44	25.4 Å²	25.4	19%	0.191	14%	0.142	C	C	.	.			trans	-60.2	121	172	-175.7	-172.3	176.4	78.2	0	109.6	L234 R240 F243 T244 T341 Y436	L234-K339 HydrophobicContact CD2-CB 4.03Å; L234-K339 HydrophobicContact CD2-CD 4.25Å; L234-K339 PolarHBondContact O-N 3.15Å; R240-K339 HydrophobicContact CB-CB 4.06Å; R240-K339 HydrophobicContact CB-CD 4.24Å; R240-K339 HydrophobicContact CB-CG 4.23Å; R240-K339 HydrophobicContact CG-CB 3.88Å; R240-K339 PolarHBondContact O-NZ 2.97Å; F243-K339 HydrophobicContact CD2-CD 4.18Å; F243-K339 HydrophobicContact CE1-CD 4.37Å; F243-K339 HydrophobicContact CE2-CD 3.53Å; F243-K339 HydrophobicContact CZ-CD 3.64Å; F243-K339 WeakPolarHBondContact O-CE 3.13Å; F243-K339 PolarHBondContact O-NZ 3.26Å; T244-K339 WeakPolarHBondContact O-CE 3.34Å; K339-T341 HydrophobicContact CD-CG2 4.02Å; K339-T341 HydrophobicContact CG-CG2 4.22Å; K339-T341 PolarHBondContact O-N 3.04Å; K339-Y436 PolarHBondContact O-OH 3.21Å
340	D	91.6	Very high	95.2	Very high	56 Å²	56	26.6 Å²	26.6	30%	0.299	15%	0.148	S	C	.	.			trans	-83.1	107.5	173.2	-171	13.4	0	0	0	109.6	F338 H440 K443	F338-D340 PolarHBondContact O-N 3.01Å; D340-H440 IonicContact OD1-CE1 3.98Å; D340-H440 IonicContact OD1-CG 2.74Å; D340-H440 IonicContact OD1-ND1 3.89Å; D340-H440 PolarHBondContact OD1-ND1 3.2Å; D340-H440 IonicContact OD2-ND1 2.84Å; D340-K443 HydrophobicContact CB-CD 4.37Å; D340-K443 WeakPolarHBondContact OD2-CD 3.19Å
341	T	94.4	Very high	95.5	Very high	10 Å²	10	23 Å²	23	6%	0.061	13%	0.131	C	C	.	.	S	Bend	trans	-154.5	-177.8	-179.4	-169.2	0	0	0	0	111.1	L234 T244 K339 Y436	L234-T341 HydrophobicContact CD2-CG2 3.93Å; T244-T341 WeakPolarHBondContact O-CB 3.35Å; T244-T341 PolarHBondContact O-OG1 2.86Å; K339-T341 HydrophobicContact CD-CG2 4.02Å; K339-T341 HydrophobicContact CG-CG2 4.22Å; K339-T341 PolarHBondContact O-N 3.04Å; T341-Y436 PolarHBondContact N-OH 3.22Å; T341-Y436 WeakPolarHBondContact O-CE1 3.46Å; T341-Y436 PolarHBondContact O-OH 3.42Å
342	Q	96	Very high	95.7	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.019	12%	0.119	C	C	.	.			trans	-76.4	139.7	170.7	-59.5	76.6	41.2	0	0	110.7	R245 A246 S455 Q456 G458 F517	R245-Q342 HydrophobicContact CG-CB 4.41Å; A246-Q342 PolarHBondContact N-O 3.26Å; Q342-S455 VanDerWaalsContact NE2-C 3.35Å; Q342-Q456 VanDerWaalsContact NE2-C 3.31Å; Q342-Q456 PolarHBondContact NE2-O 3.44Å; Q342-G458 WeakPolarHBondContact CA-O 3.44Å; Q342-F517 HydrophobicContact CB-CE2 3.71Å; Q342-F517 HydrophobicContact CB-CZ 3.82Å; Q342-F517 WeakPolarHBondContact O-CZ 3.39Å
343	I	98.4	Very high	95.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.3	171.8	65	171.1	0	0	0	111.3	L234 A246 L248 L345 F432 Y436 G458 V459 Y460 F517	L234-I343 HydrophobicContact CD1-CG2 4.1Å; A246-I343 HydrophobicContact CB-CG2 4.16Å; A246-I343 VanDerWaalsContact O-CA 3.31Å; A246-I343 WeakPolarHBondContact O-CA 3.35Å; L248-I343 HydrophobicContact CD1-CB 4.33Å; L248-I343 HydrophobicContact CD1-CG2 4.47Å; I343-L345 HydrophobicContact CD1-CD1 4.24Å; I343-L345 HydrophobicContact CD1-CD2 4.13Å; I343-L345 HydrophobicContact CG1-CD2 4.28Å; I343-F432 HydrophobicContact CD1-CD1 4.42Å; I343-F432 HydrophobicContact CD1-CE1 3.89Å; I343-Y436 HydrophobicContact CD1-CD1 3.56Å; I343-Y436 HydrophobicContact CD1-CD2 4.08Å; I343-Y436 HydrophobicContact CD1-CE1 3.98Å; I343-Y436 HydrophobicContact CD1-CE2 4.46Å; I343-Y436 HydrophobicContact CD1-CG 3.61Å; I343-Y436 HydrophobicContact CG1-CD1 3.95Å; I343-Y436 HydrophobicContact CG1-CE1 4Å; I343-Y436 HydrophobicContact CG1-CG 4.49Å; I343-Y436 HydrophobicContact CG2-CE1 3.96Å; I343-Y436 HydrophobicContact CG2-CE2 4.3Å; I343-G458 PolarHBondContact N-O 2.76Å; I343-G458 VanDerWaalsContact O-O 3.14Å; I343-V459 HydrophobicContact CD1-CG1 4.18Å; I343-V459 HydrophobicContact CD1-CG2 4.09Å; I343-V459 HydrophobicContact CG1-CB 4.25Å; I343-V459 HydrophobicContact CG1-CG1 4.07Å; I343-V459 HydrophobicContact CG1-CG2 3.86Å; I343-V459 WeakPolarHBondContact O-CA 3.39Å; I343-Y460 PolarHBondContact O-N 3.36Å; I343-F517 VanDerWaalsContact C-CZ 3.42Å
344	L	98.8	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.9	165	-176.4	155.6	0	0	0	107	A246 I247 L248 Y460 Y462 W514 F517 P523 W534	A246-L344 PolarHBondContact O-N 3.21Å; A246-L344 VanDerWaalsContact O-N 3.13Å; I247-L344 CarbonylContact C-O 3.53Å; I247-L344 WeakPolarHBondContact CA-O 3.25Å; I247-L344 HydrophobicContact CG1-CB 4.17Å; I247-L344 HydrophobicContact CG2-CB 4.34Å; I247-L344 HydrophobicContact CG2-CD2 3.66Å; L248-L344 PolarHBondContact N-O 3.47Å; L344-Y460 CarbonylContact C-O 3.55Å; L344-Y460 WeakPolarHBondContact CA-O 3.4Å; L344-Y462 HydrophobicContact CD2-CD1 3.79Å; L344-Y462 HydrophobicContact CD2-CE1 3.73Å; L344-W514 HydrophobicContact CD2-CH2 4.23Å; L344-W514 HydrophobicContact CD2-CZ2 4.08Å; L344-F517 HydrophobicContact CB-CD1 4.09Å; L344-F517 HydrophobicContact CB-CD2 4.02Å; L344-F517 HydrophobicContact CB-CE1 4.02Å; L344-F517 HydrophobicContact CB-CE2 3.94Å; L344-F517 HydrophobicContact CB-CG 4.09Å; L344-F517 HydrophobicContact CB-CZ 3.95Å; L344-F517 HydrophobicContact CD1-CB 4.19Å; L344-F517 HydrophobicContact CD1-CD2 4.36Å; L344-F517 HydrophobicContact CD1-CG 4.15Å; L344-F517 VanDerWaalsContact N-CZ 3.33Å; L344-P523 HydrophobicContact CD1-CB 4.28Å; L344-W534 HydrophobicContact CD1-CH2 3.86Å; L344-W534 HydrophobicContact CD1-CZ2 4.33Å; L344-W534 HydrophobicContact CD1-CZ3 4.2Å; L344-W534 HydrophobicContact CD2-CH2 4.23Å; L344-W534 HydrophobicContact CG-CH2 4.13Å; L344-W534 HydrophobicContact CG-CZ2 4.3Å
345	L	98.8	Very high	96.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	161.6	-179.6	70.2	-179.4	0	0	0	111.6	L248 I343 L429 F432 A433 V459 Y460 L461 Y462	L248-L345 HydrophobicContact CB-CB 3.93Å; L248-L345 HydrophobicContact CD1-CB 4.45Å; L248-L345 WeakPolarHBondContact O-CA 3.5Å; L248-L345 WeakPolarHBondContact O-CB 3.36Å; I343-L345 HydrophobicContact CD1-CD1 4.24Å; I343-L345 HydrophobicContact CD1-CD2 4.13Å; I343-L345 HydrophobicContact CG1-CD2 4.28Å; L345-L429 HydrophobicContact CB-CD1 4.4Å; L345-L429 HydrophobicContact CD1-CD1 4.46Å; L345-L429 HydrophobicContact CD1-CD2 4.04Å; L345-L429 HydrophobicContact CD1-CG 3.97Å; L345-L429 HydrophobicContact CG-CD2 4.02Å; L345-L429 HydrophobicContact CG-CG 4.33Å; L345-F432 HydrophobicContact CD1-CD1 3.81Å; L345-F432 HydrophobicContact CD1-CE1 4.37Å; L345-A433 HydrophobicContact CD1-CB 4.04Å; L345-A433 HydrophobicContact CD2-CB 4.36Å; L345-V459 HydrophobicContact CD2-CG1 3.52Å; L345-Y460 PolarHBondContact N-O 3.2Å; L345-L461 HydrophobicContact CD2-CD1 4.36Å; L345-L461 HydrophobicContact CG-CD1 4.13Å; L345-L461 CarbonylContact O-C 3.53Å; L345-L461 VanDerWaalsContact O-CA 3.25Å; L345-L461 WeakPolarHBondContact O-CA 3.08Å; L345-L461 WeakPolarHBondContact O-CD1 3.47Å; L345-Y462 VanDerWaalsContact O-CD1 3.28Å; L345-Y462 WeakPolarHBondContact O-CD1 3.4Å; L345-Y462 PolarHBondContact O-N 2.7Å
346	G	98.8	Very high	96.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	179.7	179.1	0	0	0	0	0	112.6	L248 S250 L429 Y462	L248-G346 PolarHBondContact O-N 2.82Å; S250-G346 PolarHBondContact N-O 3.46Å; G346-L429 VanDerWaalsContact O-CD1 3.3Å; G346-L429 WeakPolarHBondContact O-CD1 3.38Å; G346-Y462 WeakPolarHBondContact CA-O 3.32Å
347	V	98.9	Very high	96.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	164	-175.1	-62.7	0	0	0	0	109.8	E351 V425 I426 L429 Y462 L463 F464 L558	V347-E351 WeakPolarHBondContact CA-OE1 3.48Å; V347-E351 HydrophobicContact CB-CG 4.47Å; V347-E351 VanDerWaalsContact CB-OE1 3.3Å; V347-E351 WeakPolarHBondContact CB-OE1 3.4Å; V347-V425 HydrophobicContact CG1-CG1 3.91Å; V347-I426 HydrophobicContact CB-CG1 4.17Å; V347-I426 HydrophobicContact CG1-CG1 4.19Å; V347-I426 HydrophobicContact CG2-CG1 4.1Å; V347-I426 HydrophobicContact CG2-CG2 4.29Å; V347-L429 HydrophobicContact CG1-CB 4.31Å; V347-L429 HydrophobicContact CG1-CD1 3.73Å; V347-L429 HydrophobicContact CG1-CD2 4.16Å; V347-L429 HydrophobicContact CG1-CG 4.27Å; V347-Y462 PolarHBondContact N-O 3.5Å; V347-L463 HydrophobicContact CG2-CD1 3.92Å; V347-L463 CarbonylContact O-C 3.48Å; V347-L463 WeakPolarHBondContact O-CA 3.23Å; V347-F464 PolarHBondContact O-N 3.26Å; V347-L558 HydrophobicContact CG2-CD2 3.87Å
348	N	98.9	Very high	97.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	163.9	167.5	-61.7	-4.7	0	0	0	109.8	E351 F464 V479 I480 G482 E484	N348-E351 PolarHBondContact N-OE1 2.72Å; N348-E351 WeakPolarHBondContact O-CG 3.32Å; N348-F464 CarbonylContact C-O 3.55Å; N348-F464 WeakPolarHBondContact CA-O 3.37Å; N348-F464 WeakPolarHBondContact OD1-CB 3.23Å; N348-V479 HydrophobicContact CB-CG1 4.41Å; N348-I480 PolarHBondContact ND2-O 3.34Å; N348-G482 PolarHBondContact ND2-N 3.29Å; N348-E484 PolarHBondContact ND2-OE2 3.39Å; N348-E484 PolarHBondContact OD1-OE2 3.28Å
349	Q	98.7	Very high	96.8	Very high	61 Å²	61	18.3 Å²	18.3	29%	0.285	10%	0.095	S	C	.	.	S	Bend	trans	-68.1	-39.7	-177.9	-180	59	64.3	0	0	112.3	L463 F464 D465 V479	Q349-L463 HydrophobicContact CB-CD1 4.45Å; Q349-F464 PolarHBondContact N-O 3.47Å; Q349-D465 HydrophobicContact CB-CB 4.27Å; Q349-V479 HydrophobicContact CB-CB 4.02Å; Q349-V479 HydrophobicContact CB-CG2 4.18Å
350	D	98.8	Very high	96.8	Very high	30 Å²	30	16.7 Å²	16.7	16%	0.16	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-124.6	64.3	-168.8	-52.8	-65.3	0	0	0	110.2	G352 S353 D417 G478 V479	D350-G352 VanDerWaalsContact C-N 3.26Å; D350-G352 PolarHBondContact O-N 2.9Å; D350-S353 PolarHBondContact O-OG 2.07Å; D350-D417 WeakPolarHBondContact CB-OD2 3.3Å; D350-G478 WeakPolarHBondContact OD2-CA 3.29Å; D350-V479 PolarHBondContact N-O 2.82Å; D350-V479 VanDerWaalsContact N-O 3.12Å; D350-V479 PolarHBondContact OD2-N 2.78Å
351	E	98.8	Very high	96.8	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.096	C	C	.	.	S	Bend	trans	-67.6	-22	-175.2	-64.1	-75.5	-161.3	0	0	113.7	S250 V347 N348 V425 I426 H481	S250-E351 WeakPolarHBondContact CB-OE1 3.33Å; S250-E351 PolarHBondContact OG-OE1 2.73Å; V347-E351 WeakPolarHBondContact CA-OE1 3.48Å; V347-E351 HydrophobicContact CB-CG 4.47Å; V347-E351 VanDerWaalsContact CB-OE1 3.3Å; V347-E351 WeakPolarHBondContact CB-OE1 3.4Å; N348-E351 PolarHBondContact N-OE1 2.72Å; N348-E351 WeakPolarHBondContact O-CG 3.32Å; E351-V425 HydrophobicContact CB-CB 4.16Å; E351-V425 HydrophobicContact CB-CG2 4.22Å; E351-V425 HydrophobicContact CG-CB 4.06Å; E351-V425 HydrophobicContact CG-CG1 3.94Å; E351-V425 WeakPolarHBondContact OE1-CG1 3.46Å; E351-I426 HydrophobicContact CG-CD1 4.34Å; E351-I426 HydrophobicContact CG-CG1 4.06Å; E351-H481 IonicContact OE2-CE1 3.34Å; E351-H481 IonicContact OE2-CG 2.81Å; E351-H481 IonicContact OE2-ND1 3.57Å; E351-H481 PolarHBondContact OE2-ND1 3.15Å
352	G	98.1	Very high	96.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-90.1	-27.3	-173	0	0	0	0	0	114.3	D350 Y354 F355 L356 D417	D350-G352 VanDerWaalsContact C-N 3.26Å; D350-G352 PolarHBondContact O-N 2.9Å; G352-Y354 VanDerWaalsContact C-N 3.31Å; G352-Y354 PolarHBondContact O-N 3.47Å; G352-F355 PolarHBondContact O-N 3.07Å; G352-L356 PolarHBondContact O-N 3.4Å; G352-L356 VanDerWaalsContact O-N 3.08Å; G352-D417 VanDerWaalsContact C-OD1 3.27Å; G352-D417 WeakPolarHBondContact CA-OD1 3.49Å; G352-D417 PolarHBondContact N-OD1 3.25Å
353	S	98.1	Very high	96.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-53	-42.7	-171.3	64.5	0	0	0	0	114.1	D350 F355 L356 L357 D417 M477	D350-S353 PolarHBondContact O-OG 2.07Å; S353-F355 PolarHBondContact O-N 2.93Å; S353-L356 PolarHBondContact O-N 2.89Å; S353-L357 PolarHBondContact O-N 3.45Å; S353-L357 VanDerWaalsContact O-N 3.14Å; S353-D417 PolarHBondContact N-OD1 2.95Å; S353-M477 WeakPolarHBondContact CB-O 3.24Å; S353-M477 PolarHBondContact OG-O 3.13Å
354	Y	96.8	Very high	96.7	Very high	35 Å²	35	20.7 Å²	20.7	14%	0.137	13%	0.125	C	C	.	.	H	α-helix	trans	-59.3	-45.9	176.8	-175.2	-92.6	0	0	0	111.5	G352 L357 Y358 W473 I480	G352-Y354 VanDerWaalsContact C-N 3.31Å; G352-Y354 PolarHBondContact O-N 3.47Å; Y354-L357 PolarHBondContact O-N 2.95Å; Y354-Y358 HydrophobicContact CD1-CD2 4.47Å; Y354-Y358 HydrophobicContact CD2-CE2 4.2Å; Y354-Y358 HydrophobicContact CE1-CD2 4.18Å; Y354-Y358 HydrophobicContact CE1-CE2 4.05Å; Y354-Y358 HydrophobicContact CE2-CD2 4.46Å; Y354-Y358 AromaticContact CE2-CE2 3.67Å; Y354-Y358 HydrophobicContact CE2-CE2 3.67Å; Y354-Y358 AromaticContact CZ-CE2 3.58Å; Y354-Y358 AromaticContact CZ-CZ 3.95Å; Y354-Y358 VanDerWaalsContact O-CD2 3.25Å; Y354-Y358 WeakPolarHBondContact O-CD2 3.46Å; Y354-Y358 PolarHBondContact OH-OH 2.94Å; Y354-W473 HydrophobicContact CD2-CZ2 4.46Å; Y354-W473 HydrophobicContact CE2-CZ2 4.16Å; Y354-I480 HydrophobicContact CD2-CG2 4.43Å
355	F	96.9	Very high	96.6	Very high	22 Å²	22	22.7 Å²	22.7	10%	0.096	13%	0.134	C	C	.	.	H	α-helix	trans	-74.4	-30.8	-175.8	-59.6	-82.3	0	0	0	112.4	F312 F314 G352 S353 Y358 G359 V420 H481	F312-F355 HydrophobicContact CB-CD1 4.27Å; F312-F355 HydrophobicContact CB-CG 4.35Å; F312-F355 HydrophobicContact CD1-CB 4.35Å; F312-F355 AromaticContact CD1-CD1 3.99Å; F312-F355 HydrophobicContact CD1-CD1 3.99Å; F312-F355 AromaticContact CD1-CD2 3.37Å; F312-F355 HydrophobicContact CD1-CD2 3.37Å; F312-F355 HydrophobicContact CD1-CE1 4.13Å; F312-F355 AromaticContact CD1-CE2 3.55Å; F312-F355 HydrophobicContact CD1-CE2 3.55Å; F312-F355 AromaticContact CD1-CG 3.61Å; F312-F355 HydrophobicContact CD1-CG 3.61Å; F312-F355 AromaticContact CD1-CZ 3.92Å; F312-F355 HydrophobicContact CD1-CZ 3.92Å; F312-F355 HydrophobicContact CD2-CD1 4.28Å; F312-F355 AromaticContact CD2-CE1 3.92Å; F312-F355 HydrophobicContact CD2-CE1 3.92Å; F312-F355 HydrophobicContact CD2-CE2 4.48Å; F312-F355 HydrophobicContact CD2-CZ 4.03Å; F312-F355 HydrophobicContact CE1-CD1 4.4Å; F312-F355 AromaticContact CE1-CD2 3.33Å; F312-F355 HydrophobicContact CE1-CD2 3.33Å; F312-F355 HydrophobicContact CE1-CE1 4.16Å; F312-F355 AromaticContact CE1-CE2 3.03Å; F312-F355 HydrophobicContact CE1-CE2 3.03Å; F312-F355 HydrophobicContact CE1-CG 4.02Å; F312-F355 AromaticContact CE1-CZ 3.49Å; F312-F355 HydrophobicContact CE1-CZ 3.49Å; F312-F355 VanDerWaalsContact CE1-CZ 3.49Å; F312-F355 AromaticContact CE2-CE1 3.91Å; F312-F355 HydrophobicContact CE2-CE1 3.91Å; F312-F355 HydrophobicContact CE2-CE2 4.05Å; F312-F355 AromaticContact CE2-CZ 3.58Å; F312-F355 HydrophobicContact CE2-CZ 3.58Å; F312-F355 AromaticContact CG-CD1 3.93Å; F312-F355 HydrophobicContact CG-CD1 3.93Å; F312-F355 HydrophobicContact CG-CD2 4.16Å; F312-F355 HydrophobicContact CG-CE1 4.01Å; F312-F355 HydrophobicContact CG-CE2 4.26Å; F312-F355 AromaticContact CG-CG 3.99Å; F312-F355 HydrophobicContact CG-CG 3.99Å; F312-F355 HydrophobicContact CG-CZ 4.18Å; F312-F355 HydrophobicContact CZ-CD2 4.06Å; F312-F355 HydrophobicContact CZ-CE1 4.04Å; F312-F355 AromaticContact CZ-CE2 3.31Å; F312-F355 HydrophobicContact CZ-CE2 3.31Å; F312-F355 AromaticContact CZ-CZ 3.29Å; F312-F355 HydrophobicContact CZ-CZ 3.29Å; F314-F355 HydrophobicContact CE1-CE1 4.34Å; F314-F355 HydrophobicContact CZ-CE1 4.02Å; G352-F355 PolarHBondContact O-N 3.07Å; S353-F355 PolarHBondContact O-N 2.93Å; F355-Y358 PolarHBondContact O-N 3.17Å; F355-G359 PolarHBondContact O-N 3.36Å; F355-G359 VanDerWaalsContact O-N 3.13Å; F355-V420 HydrophobicContact CB-CG1 4.19Å; F355-H481 HydrophobicContact CE2-CB 4.36Å; F355-H481 AromaticContact CE2-CD2 3.89Å; F355-H481 AromaticContact CZ-CD2 3.91Å
356	L	97	Very high	96.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-45.9	173.4	-72.6	169	0	0	0	111.9	L311 G352 S353 Y358 G359 A360 F363 M416 D417 V420	L311-L356 HydrophobicContact CD1-CD2 3.79Å; G352-L356 PolarHBondContact O-N 3.4Å; G352-L356 VanDerWaalsContact O-N 3.08Å; S353-L356 PolarHBondContact O-N 2.89Å; L356-Y358 PolarHBondContact O-N 2.82Å; L356-G359 PolarHBondContact O-N 2.81Å; L356-A360 HydrophobicContact CB-CB 4.49Å; L356-A360 HydrophobicContact CD2-CB 3.81Å; L356-A360 WeakPolarHBondContact O-CB 3.15Å; L356-A360 PolarHBondContact O-N 3.36Å; L356-F363 HydrophobicContact CB-CD1 3.79Å; L356-F363 HydrophobicContact CB-CD2 4.28Å; L356-F363 HydrophobicContact CB-CE1 3.79Å; L356-F363 HydrophobicContact CB-CE2 4.36Å; L356-F363 HydrophobicContact CB-CG 4.01Å; L356-F363 HydrophobicContact CB-CZ 4.08Å; L356-F363 HydrophobicContact CD1-CE1 3.82Å; L356-F363 HydrophobicContact CD1-CZ 3.89Å; L356-F363 HydrophobicContact CD2-CE2 4.09Å; L356-F363 HydrophobicContact CD2-CZ 4Å; L356-F363 HydrophobicContact CG-CE1 4.28Å; L356-F363 HydrophobicContact CG-CZ 4.24Å; L356-M416 HydrophobicContact CD1-CB 3.9Å; L356-M416 HydrophobicContact CD2-CB 3.93Å; L356-M416 HydrophobicContact CD2-CE 3.37Å; L356-D417 VanDerWaalsContact CD1-CA 3.43Å; L356-D417 HydrophobicContact CD1-CB 3.95Å; L356-V420 HydrophobicContact CD1-CG2 4.46Å; L356-V420 HydrophobicContact CD2-CG2 3.86Å; L356-V420 HydrophobicContact CG-CG2 4.05Å
357	L	96.7	Very high	96.4	Very high	10 Å²	10	32.3 Å²	32.3	5%	0.052	19%	0.185	C	C	.	.	H	α-helix	trans	-53.9	-39.9	178.3	175.4	65.8	0	0	0	112.8	Y98 S353 Y354 S364 K365 W473 W476 M477	Y98-L357 HydrophobicContact CE2-CD2 4.14Å; S353-L357 PolarHBondContact O-N 3.45Å; S353-L357 VanDerWaalsContact O-N 3.14Å; Y354-L357 PolarHBondContact O-N 2.95Å; L357-S364 VanDerWaalsContact CD1-C 3.44Å; L357-K365 HydrophobicContact CD1-CB 4.31Å; L357-W473 HydrophobicContact CD2-CE3 3.91Å; L357-W473 HydrophobicContact CD2-CH2 3.63Å; L357-W473 HydrophobicContact CD2-CZ3 3.16Å; L357-W476 HydrophobicContact CB-CH2 4.1Å; L357-W476 HydrophobicContact CB-CZ2 4.31Å; L357-W476 HydrophobicContact CD1-CZ2 4.21Å; L357-M477 HydrophobicContact CB-CE 4.35Å; L357-M477 HydrophobicContact CD2-CE 3.99Å; L357-M477 HydrophobicContact CD2-SD 4.11Å
358	Y	93.7	Very high	96.3	Very high	74 Å²	74	38.6 Å²	38.6	29%	0.29	22%	0.215	S	C	.	.	H	α-helix	trans	-88.7	-26.5	-173.6	-80.5	-100.3	0	0	0	114.4	D95 T104 Y354 F355 L356 W473	D95-Y358 VanDerWaalsContact OD2-CE1 3.28Å; D95-Y358 WeakPolarHBondContact OD2-CE1 3.41Å; D95-Y358 VanDerWaalsContact OD2-CZ 3.28Å; D95-Y358 PolarHBondContact OD2-OH 3.33Å; T104-Y358 WeakPolarHBondContact CG2-OH 3.38Å; Y354-Y358 HydrophobicContact CD1-CD2 4.47Å; Y354-Y358 HydrophobicContact CD2-CE2 4.2Å; Y354-Y358 HydrophobicContact CE1-CD2 4.18Å; Y354-Y358 HydrophobicContact CE1-CE2 4.05Å; Y354-Y358 HydrophobicContact CE2-CD2 4.46Å; Y354-Y358 AromaticContact CE2-CE2 3.67Å; Y354-Y358 HydrophobicContact CE2-CE2 3.67Å; Y354-Y358 AromaticContact CZ-CE2 3.58Å; Y354-Y358 AromaticContact CZ-CZ 3.95Å; Y354-Y358 VanDerWaalsContact O-CD2 3.25Å; Y354-Y358 WeakPolarHBondContact O-CD2 3.46Å; Y354-Y358 PolarHBondContact OH-OH 2.94Å; F355-Y358 PolarHBondContact O-N 3.17Å; L356-Y358 PolarHBondContact O-N 2.82Å; Y358-W473 HydrophobicContact CE2-CH2 4.33Å
359	G	90.1	Very high	96.2	Very high	38 Å²	38	38.7 Å²	38.7	39%	0.392	22%	0.215	S	C	.	.	H	α-helix	trans	-125.4	-12.8	-167.4	0	0	0	0	0	115.5	L311 F355 L356	L311-G359 VanDerWaalsContact CD2-CA 3.44Å; F355-G359 PolarHBondContact O-N 3.36Å; F355-G359 VanDerWaalsContact O-N 3.13Å; L356-G359 PolarHBondContact O-N 2.81Å
360	A	93.9	Very high	96.2	Very high	10 Å²	10	40.5 Å²	40.5	8%	0.083	23%	0.226	C	C	.	.	S	Bend	trans	-106.9	131.5	-177.1	0	0	0	0	0	111.7	L311 L356 F363 A379 M416	L311-A360 HydrophobicContact CD1-CB 4.31Å; L311-A360 HydrophobicContact CD2-CB 4.5Å; L356-A360 HydrophobicContact CB-CB 4.49Å; L356-A360 HydrophobicContact CD2-CB 3.81Å; L356-A360 WeakPolarHBondContact O-CB 3.15Å; L356-A360 PolarHBondContact O-N 3.36Å; A360-F363 HydrophobicContact CB-CD2 3.63Å; A360-F363 HydrophobicContact CB-CE2 3.99Å; A360-A379 HydrophobicContact CB-CB 4.32Å; A360-M416 HydrophobicContact CB-CE 3.81Å
361	P	91.2	Very high	96.1	Very high	66 Å²	66	39.1 Å²	39.1	43%	0.429	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	150	169.2	26.7	-38.2	0	0	0	111.8	F363 A379	P361-F363 VanDerWaalsContact C-N 3.28Å; P361-F363 WeakPolarHBondContact O-CD2 3.48Å; P361-F363 PolarHBondContact O-N 3.05Å; P361-A379 HydrophobicContact CG-CB 3.42Å; P361-A379 VanDerWaalsContact CG-CB 3.42Å
362	G	93.1	Very high	96	Very high	40 Å²	40	41.1 Å²	41.1	41%	0.412	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	-15.2	179.9	0	0	0	0	0	114.7
363	F	96.6	Very high	95.9	Very high	19 Å²	19	42.1 Å²	42.1	8%	0.083	24%	0.237	C	C	.	.			trans	-90.5	139	178.2	-68.9	-97.3	0	0	0	112.3	L356 A360 P361 S369 I371 R413 M416 W476	L356-F363 HydrophobicContact CB-CD1 3.79Å; L356-F363 HydrophobicContact CB-CD2 4.28Å; L356-F363 HydrophobicContact CB-CE1 3.79Å; L356-F363 HydrophobicContact CB-CE2 4.36Å; L356-F363 HydrophobicContact CB-CG 4.01Å; L356-F363 HydrophobicContact CB-CZ 4.08Å; L356-F363 HydrophobicContact CD1-CE1 3.82Å; L356-F363 HydrophobicContact CD1-CZ 3.89Å; L356-F363 HydrophobicContact CD2-CE2 4.09Å; L356-F363 HydrophobicContact CD2-CZ 4Å; L356-F363 HydrophobicContact CG-CE1 4.28Å; L356-F363 HydrophobicContact CG-CZ 4.24Å; A360-F363 HydrophobicContact CB-CD2 3.63Å; A360-F363 HydrophobicContact CB-CE2 3.99Å; P361-F363 VanDerWaalsContact C-N 3.28Å; P361-F363 WeakPolarHBondContact O-CD2 3.48Å; P361-F363 PolarHBondContact O-N 3.05Å; F363-S369 WeakPolarHBondContact CA-OG 3.14Å; F363-I371 HydrophobicContact CD2-CD1 3.7Å; F363-I371 HydrophobicContact CD2-CG1 4.45Å; F363-I371 HydrophobicContact CE1-CD1 4.32Å; F363-I371 HydrophobicContact CE1-CG1 4.3Å; F363-I371 HydrophobicContact CE2-CD1 3.31Å; F363-I371 HydrophobicContact CE2-CG1 3.6Å; F363-I371 HydrophobicContact CG-CD1 4.3Å; F363-I371 HydrophobicContact CZ-CD1 3.71Å; F363-I371 HydrophobicContact CZ-CG1 3.55Å; F363-R413 HydrophobicContact CE1-CG 3.69Å; F363-R413 HydrophobicContact CZ-CG 4.13Å; F363-M416 HydrophobicContact CD2-CE 4.38Å; F363-M416 HydrophobicContact CE2-CE 3.41Å; F363-M416 VanDerWaalsContact CE2-CE 3.41Å; F363-M416 HydrophobicContact CE2-SD 3.62Å; F363-M416 HydrophobicContact CZ-CB 4.1Å; F363-M416 HydrophobicContact CZ-CE 3.91Å; F363-M416 HydrophobicContact CZ-SD 3.81Å; F363-W476 HydrophobicContact CB-CH2 4.48Å; F363-W476 HydrophobicContact CD1-CE3 4.29Å; F363-W476 AromaticContact CD1-CH2 3.44Å; F363-W476 HydrophobicContact CD1-CH2 3.44Å; F363-W476 VanDerWaalsContact CD1-CH2 3.44Å; F363-W476 HydrophobicContact CD1-CZ2 4Å; F363-W476 AromaticContact CD1-CZ3 3.59Å; F363-W476 HydrophobicContact CD1-CZ3 3.59Å; F363-W476 HydrophobicContact CE1-CE3 4.37Å; F363-W476 HydrophobicContact CE1-CH2 4.15Å; F363-W476 AromaticContact CE1-CZ3 3.81Å; F363-W476 HydrophobicContact CE1-CZ3 3.81Å; F363-W476 HydrophobicContact CG-CH2 4.4Å
364	S	96.8	Very high	95.6	Very high	28 Å²	28	48.3 Å²	48.3	20%	0.196	27%	0.266	C	S	.	.			trans	-152.2	147.1	177.4	179.5	0	0	0	0	111.9	L357 D366 S369 W476	L357-S364 VanDerWaalsContact CD1-C 3.44Å; S364-D366 PolarHBondContact O-N 2.85Å; S364-D366 PolarHBondContact OG-N 3.12Å; S364-D366 VanDerWaalsContact OG-N 3.12Å; S364-S369 PolarHBondContact N-OG 2.63Å; S364-S369 PolarHBondContact O-OG 2.91Å; S364-W476 PolarHBondContact O-NE1 3.13Å
365	K	97	Very high	95.5	Very high	43 Å²	43	49.2 Å²	49.2	19%	0.187	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.7	169.9	175.8	178.3	71.1	63.6	0	111.9	Y98 F101 L357 W473 P474	Y98-K365 HydrophobicContact CD1-CD 4.01Å; Y98-K365 HydrophobicContact CD2-CD 4.45Å; Y98-K365 HydrophobicContact CE1-CB 4.08Å; Y98-K365 HydrophobicContact CE1-CD 4.19Å; Y98-K365 HydrophobicContact CG-CD 4.14Å; F101-K365 HydrophobicContact CD1-CD 4.05Å; F101-K365 HydrophobicContact CD2-CD 4.35Å; F101-K365 HydrophobicContact CE1-CD 3.95Å; F101-K365 HydrophobicContact CE2-CD 4.25Å; F101-K365 HydrophobicContact CG-CD 4.25Å; F101-K365 HydrophobicContact CZ-CD 4.05Å; L357-K365 HydrophobicContact CD1-CB 4.31Å; K365-W473 HydrophobicContact CD-CZ3 4.19Å; K365-W473 HydrophobicContact CG-CE3 4.39Å; K365-W473 HydrophobicContact CG-CZ3 4.3Å; K365-P474 WeakPolarHBondContact O-CG 3.43Å
366	D	96.8	Very high	95.4	Very high	117 Å²	117	48.2 Å²	48.2	63%	0.626	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	7.6	-164	-61.4	-48	0	0	0	113.8	S364	S364-D366 PolarHBondContact O-N 2.85Å; S364-D366 PolarHBondContact OG-N 3.12Å; S364-D366 VanDerWaalsContact OG-N 3.12Å
367	N	96.3	Very high	95.1	Very high	85 Å²	85	51.3 Å²	51.3	46%	0.455	29%	0.285	S	S	.	.	S	Bend	trans	-146.9	179.5	175.3	68.8	33	0	0	0	111.6	S369 W476	N367-S369 PolarHBondContact O-N 3.19Å; N367-S369 VanDerWaalsContact OD1-CA 3.3Å; N367-S369 WeakPolarHBondContact OD1-CA 3.3Å; N367-S369 PolarHBondContact OD1-N 2.66Å; N367-S369 PolarHBondContact OD1-OG 2.98Å; N367-W476 PolarHBondContact O-NE1 3.2Å
368	E	97.6	Very high	94.3	Very high	132 Å²	132	56.5 Å²	56.5	62%	0.617	31%	0.309	S	S	*	.			trans	-76	-2.5	-179.4	-64.3	-174	171.8	0	0	114.6	L370 R413	E368-L370 HydrophobicContact CB-CD2 4.17Å; E368-L370 HydrophobicContact CB-CG 4.24Å; E368-L370 PolarHBondContact O-N 2.88Å; E368-R413 WeakPolarHBondContact O-CD 3.49Å; E368-R413 PolarHBondContact O-NH1 3.38Å
369	S	97.6	Very high	93.5	Very high	1 Å²	1	53 Å²	53	1%	0.007	30%	0.296	C	S	.	.			trans	50.6	51.6	-178.8	-58.2	0	0	0	0	112.8	F363 S364 N367 I371 R413 W476	F363-S369 WeakPolarHBondContact CA-OG 3.14Å; S364-S369 PolarHBondContact N-OG 2.63Å; S364-S369 PolarHBondContact O-OG 2.91Å; N367-S369 PolarHBondContact O-N 3.19Å; N367-S369 VanDerWaalsContact OD1-CA 3.3Å; N367-S369 WeakPolarHBondContact OD1-CA 3.3Å; N367-S369 PolarHBondContact OD1-N 2.66Å; N367-S369 PolarHBondContact OD1-OG 2.98Å; S369-I371 WeakPolarHBondContact O-CD1 3.42Å; S369-I371 VanDerWaalsContact O-CG1 3.3Å; S369-I371 WeakPolarHBondContact O-CG1 3.18Å; S369-I371 PolarHBondContact O-N 3.23Å; S369-R413 VanDerWaalsContact O-CD 3.31Å; S369-R413 WeakPolarHBondContact O-CD 3.34Å; S369-R413 WeakPolarHBondContact O-CG 3.16Å; S369-W476 PolarHBondContact OG-NE1 3.08Å
370	L	97.7	Very high	92.7	Very high	99 Å²	99	51.2 Å²	51.2	52%	0.518	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-71.4	120.8	176.8	-57.6	-177	0	0	0	109.8	E368 V410	E368-L370 HydrophobicContact CB-CD2 4.17Å; E368-L370 HydrophobicContact CB-CG 4.24Å; E368-L370 PolarHBondContact O-N 2.88Å; L370-V410 HydrophobicContact CD2-CG2 3.56Å
371	I	97.8	Very high	92.4	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-102.5	126.6	-167.8	-58.6	-49.9	0	0	0	112.1	F363 S369 D375 F376 G409 N412 R413 M416	F363-I371 HydrophobicContact CD2-CD1 3.7Å; F363-I371 HydrophobicContact CD2-CG1 4.45Å; F363-I371 HydrophobicContact CE1-CD1 4.32Å; F363-I371 HydrophobicContact CE1-CG1 4.3Å; F363-I371 HydrophobicContact CE2-CD1 3.31Å; F363-I371 HydrophobicContact CE2-CG1 3.6Å; F363-I371 HydrophobicContact CG-CD1 4.3Å; F363-I371 HydrophobicContact CZ-CD1 3.71Å; F363-I371 HydrophobicContact CZ-CG1 3.55Å; S369-I371 WeakPolarHBondContact O-CD1 3.42Å; S369-I371 VanDerWaalsContact O-CG1 3.3Å; S369-I371 WeakPolarHBondContact O-CG1 3.18Å; S369-I371 PolarHBondContact O-N 3.23Å; I371-D375 HydrophobicContact CG2-CB 3.69Å; I371-F376 HydrophobicContact CG2-CB 4.2Å; I371-G409 PolarHBondContact N-O 2.84Å; I371-G409 VanDerWaalsContact N-O 3.07Å; I371-G409 WeakPolarHBondContact O-CA 3.02Å; I371-N412 HydrophobicContact CB-CB 4.09Å; I371-N412 HydrophobicContact CG2-CB 4.29Å; I371-N412 WeakPolarHBondContact O-CB 3.46Å; I371-N412 PolarHBondContact O-ND2 2.9Å; I371-R413 HydrophobicContact CB-CB 4.45Å; I371-R413 HydrophobicContact CG1-CB 3.85Å; I371-R413 HydrophobicContact CG1-CG 4.26Å; I371-M416 HydrophobicContact CG1-SD 4.34Å; I371-M416 HydrophobicContact CG2-SD 3.7Å
372	S	96.9	Very high	92.3	Very high	42 Å²	42	54.1 Å²	54.1	29%	0.294	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-65.5	161.6	174.1	69.8	0	0	0	0	111.7	E374 D375 F376	S372-E374 WeakPolarHBondContact CB-OE2 3.3Å; S372-E374 PolarHBondContact O-N 3.44Å; S372-D375 PolarHBondContact O-N 2.78Å; S372-D375 WeakPolarHBondContact OG-CB 3.43Å; S372-D375 PolarHBondContact OG-N 3.14Å; S372-D375 PolarHBondContact OG-OD2 3.21Å; S372-F376 WeakPolarHBondContact O-CB 3.47Å; S372-F376 PolarHBondContact O-N 2.84Å
373	K	94.5	Very high	92.2	Very high	22 Å²	22	53.6 Å²	53.6	10%	0.096	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-35.1	175.2	-177.3	57.7	173.1	-175	0	110.7	F376 L377 T401	K373-F376 HydrophobicContact CD-CD1 4.09Å; K373-F376 WeakPolarHBondContact O-CB 3.21Å; K373-F376 PolarHBondContact O-N 2.76Å; K373-L377 HydrophobicContact CD-CG 4.43Å; K373-L377 HydrophobicContact CG-CD1 4.35Å; K373-L377 VanDerWaalsContact O-CG 3.31Å; K373-L377 WeakPolarHBondContact O-CG 3.21Å; K373-L377 PolarHBondContact O-N 2.86Å; K373-T401 VanDerWaalsContact NZ-CG2 3.27Å; K373-T401 PolarHBondContact NZ-OG1 3.1Å
374	E	93.1	Very high	91.9	Very high	130 Å²	130	52.7 Å²	52.7	61%	0.607	26%	0.261	S	S	*	.	H	α-helix	trans	-63.3	-49.4	177.6	-65	74.1	-163.9	0	0	111.5	S372 F376 L377 E378	S372-E374 WeakPolarHBondContact CB-OE2 3.3Å; S372-E374 PolarHBondContact O-N 3.44Å; E374-F376 VanDerWaalsContact C-N 3.31Å; E374-F376 PolarHBondContact O-N 3.44Å; E374-L377 PolarHBondContact O-N 2.93Å; E374-E378 PolarHBondContact O-N 2.86Å
375	D	93.6	Very high	91.6	Very high	54 Å²	54	51.6 Å²	51.6	29%	0.289	25%	0.253	S	S	.	.	H	α-helix	trans	-64.2	-37.4	176.8	-67	-43.7	0	0	0	111.2	I371 S372 L377 A379 G380	I371-D375 HydrophobicContact CG2-CB 3.69Å; S372-D375 PolarHBondContact O-N 2.78Å; S372-D375 WeakPolarHBondContact OG-CB 3.43Å; S372-D375 PolarHBondContact OG-N 3.14Å; S372-D375 PolarHBondContact OG-OD2 3.21Å; D375-L377 PolarHBondContact O-N 2.94Å; D375-A379 WeakPolarHBondContact O-CA 3.27Å; D375-A379 VanDerWaalsContact O-CB 3.22Å; D375-A379 WeakPolarHBondContact O-CB 3.49Å; D375-A379 PolarHBondContact O-N 3.25Å; D375-G380 PolarHBondContact O-N 2.76Å; D375-G380 VanDerWaalsContact O-N 3.15Å
376	F	94.8	Very high	91.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-58.8	-45.1	173.7	170.7	-97.1	0	0	0	112.4	I371 S372 K373 E374 G380 V381 V397 N412 A415 M416 I419	I371-F376 HydrophobicContact CG2-CB 4.2Å; S372-F376 WeakPolarHBondContact O-CB 3.47Å; S372-F376 PolarHBondContact O-N 2.84Å; K373-F376 HydrophobicContact CD-CD1 4.09Å; K373-F376 WeakPolarHBondContact O-CB 3.21Å; K373-F376 PolarHBondContact O-N 2.76Å; E374-F376 VanDerWaalsContact C-N 3.31Å; E374-F376 PolarHBondContact O-N 3.44Å; F376-G380 CarbonylContact O-C 3.6Å; F376-G380 WeakPolarHBondContact O-CA 3.48Å; F376-G380 PolarHBondContact O-N 3.3Å; F376-V381 HydrophobicContact CE1-CG2 4.15Å; F376-V381 HydrophobicContact CZ-CG2 4.1Å; F376-V381 PolarHBondContact O-N 2.68Å; F376-V381 VanDerWaalsContact O-N 3.1Å; F376-V397 HydrophobicContact CE1-CG1 4.39Å; F376-N412 HydrophobicContact CB-CB 4.14Å; F376-N412 HydrophobicContact CD2-CB 4.32Å; F376-N412 HydrophobicContact CG-CB 4.41Å; F376-A415 HydrophobicContact CD2-CB 4.45Å; F376-A415 HydrophobicContact CE2-CB 3.73Å; F376-A415 HydrophobicContact CZ-CB 4.49Å; F376-M416 HydrophobicContact CD2-CG 3.73Å; F376-M416 HydrophobicContact CE2-CG 4.31Å; F376-I419 HydrophobicContact CE2-CD1 3.88Å; F376-I419 HydrophobicContact CZ-CD1 4.1Å
377	L	91	Very high	90.5	Very high	66 Å²	66	50.5 Å²	50.5	35%	0.346	25%	0.247	S	C	.	.	I	π-helix	trans	-70.8	-51.2	-179.3	-66.3	175.1	0	0	0	111.8	K373 E374 D375 V397	K373-L377 HydrophobicContact CD-CG 4.43Å; K373-L377 HydrophobicContact CG-CD1 4.35Å; K373-L377 VanDerWaalsContact O-CG 3.31Å; K373-L377 WeakPolarHBondContact O-CG 3.21Å; K373-L377 PolarHBondContact O-N 2.86Å; E374-L377 PolarHBondContact O-N 2.93Å; D375-L377 PolarHBondContact O-N 2.94Å; L377-V397 HydrophobicContact CD2-CB 4.32Å; L377-V397 HydrophobicContact CD2-CG1 3.77Å; L377-V397 HydrophobicContact CD2-CG2 3.47Å; L377-V397 VanDerWaalsContact CD2-CG2 3.47Å
378	E	80.8	Confident	90.2	Very high	119 Å²	119	47.2 Å²	47.2	56%	0.556	23%	0.231	S	C	*	.	I	π-helix	trans	-77.1	-42.8	-173.8	-72.2	-62.5	149.7	0	0	112.8	E374 R382	E374-E378 PolarHBondContact O-N 2.86Å; E378-R382 WeakPolarHBondContact O-CB 3.26Å; E378-R382 IonicContact OE2-NH1 3.82Å
379	A	75.5	Confident	89.8	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.008	21%	0.214	C	C	.	.	I	π-helix	trans	-94.5	-43.5	-180	0	0	0	0	0	112.8	A360 P361 D375 L383 M416	A360-A379 HydrophobicContact CB-CB 4.32Å; P361-A379 HydrophobicContact CG-CB 3.42Å; P361-A379 VanDerWaalsContact CG-CB 3.42Å; D375-A379 WeakPolarHBondContact O-CA 3.27Å; D375-A379 VanDerWaalsContact O-CB 3.22Å; D375-A379 WeakPolarHBondContact O-CB 3.49Å; D375-A379 PolarHBondContact O-N 3.25Å; A379-L383 HydrophobicContact CB-CD1 3.99Å; A379-L383 VanDerWaalsContact O-CB 3.31Å; A379-L383 WeakPolarHBondContact O-CB 3.07Å; A379-L383 PolarHBondContact O-N 3.45Å; A379-M416 HydrophobicContact CB-CE 4.11Å
380	G	75	Confident	89.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-67.9	-43.7	-173	0	0	0	0	0	114.1	D375 F376 S384 M416	D375-G380 PolarHBondContact O-N 2.76Å; D375-G380 VanDerWaalsContact O-N 3.15Å; F376-G380 CarbonylContact O-C 3.6Å; F376-G380 WeakPolarHBondContact O-CA 3.48Å; F376-G380 PolarHBondContact O-N 3.3Å; G380-S384 WeakPolarHBondContact O-CB 3.07Å; G380-S384 PolarHBondContact O-OG 3.29Å; G380-M416 VanDerWaalsContact CA-SD 3.54Å; G380-M416 VanDerWaalsContact N-CE 3.31Å
381	V	86.6	Confident	89.2	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.012	24%	0.242	C	C	.	.	I	π-helix	trans	-94.6	-50.5	-176.3	-177.9	0	0	0	0	110.9	F376 S384 V385 L393 V396 V397 I419	F376-V381 HydrophobicContact CE1-CG2 4.15Å; F376-V381 HydrophobicContact CZ-CG2 4.1Å; F376-V381 PolarHBondContact O-N 2.68Å; F376-V381 VanDerWaalsContact O-N 3.1Å; V381-S384 PolarHBondContact O-N 3.44Å; V381-V385 PolarHBondContact O-N 3.36Å; V381-L393 HydrophobicContact CG1-CB 4.06Å; V381-L393 HydrophobicContact CG1-CD2 3.87Å; V381-V396 HydrophobicContact CG1-CB 3.82Å; V381-V396 HydrophobicContact CG1-CG1 3.85Å; V381-V396 HydrophobicContact CG2-CG1 4.21Å; V381-V397 HydrophobicContact CB-CG2 4.39Å; V381-V397 HydrophobicContact CG1-CG2 4.23Å; V381-V397 HydrophobicContact CG2-CG2 3.84Å; V381-I419 HydrophobicContact CG2-CD1 4.11Å
382	R	88.9	Confident	89.1	Confident	135 Å²	135	48.3 Å²	48.3	51%	0.509	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-43.2	-172	-157.8	175.8	-173.9	154.4	7.6	113.7	E378 S384 V385 P386 L393	E378-R382 WeakPolarHBondContact O-CB 3.26Å; E378-R382 IonicContact OE2-NH1 3.82Å; R382-S384 VanDerWaalsContact C-N 3.35Å; R382-V385 CarbonylContact O-C 3.38Å; R382-P386 WeakPolarHBondContact O-CA 3.14Å; R382-L393 HydrophobicContact CG-CD1 4.23Å
383	L	91.1	Very high	88.9	Confident	28 Å²	28	47.4 Å²	47.4	15%	0.147	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-28.4	178.8	-56.5	175.7	0	0	0	112.2	A310 L311 A379	A310-L383 WeakPolarHBondContact CA-O 3.28Å; L311-L383 HydrophobicContact CD1-CB 4.3Å; L311-L383 HydrophobicContact CG-CB 3.85Å; L311-L383 PolarHBondContact N-O 3.38Å; A379-L383 HydrophobicContact CB-CD1 3.99Å; A379-L383 VanDerWaalsContact O-CB 3.31Å; A379-L383 WeakPolarHBondContact O-CB 3.07Å; A379-L383 PolarHBondContact O-N 3.45Å
384	S	90.8	Very high	89	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-33	178.9	-59	0	0	0	0	113	G380 V381 R382 P386 V420 H423	G380-S384 WeakPolarHBondContact O-CB 3.07Å; G380-S384 PolarHBondContact O-OG 3.29Å; V381-S384 PolarHBondContact O-N 3.44Å; R382-S384 VanDerWaalsContact C-N 3.35Å; S384-P386 VanDerWaalsContact C-CD 3.43Å; S384-P386 WeakPolarHBondContact O-CD 3.17Å; S384-V420 VanDerWaalsContact OG-CG2 3.23Å; S384-V420 WeakPolarHBondContact OG-CG2 3.05Å; S384-H423 PolarHBondContact O-CD2 2.84Å; S384-H423 VanDerWaalsContact O-CD2 3.25Å
385	V	90.2	Very high	89.2	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.03	23%	0.231	C	C	.	.	S	Bend	trans	-124.9	61.5	-178	-157.2	0	0	0	0	110.9	V381 R382 H387 A388 L393 V396 W566 L570	V381-V385 PolarHBondContact O-N 3.36Å; R382-V385 CarbonylContact O-C 3.38Å; V385-H387 PolarHBondContact O-N 3Å; V385-A388 HydrophobicContact CB-CB 4.25Å; V385-A388 HydrophobicContact CG1-CB 3.7Å; V385-A388 WeakPolarHBondContact O-CB 3.25Å; V385-A388 PolarHBondContact O-N 3.01Å; V385-L393 HydrophobicContact CB-CD2 4.5Å; V385-V396 HydrophobicContact CG2-CG2 4.31Å; V385-W566 HydrophobicContact CG1-CZ3 4.25Å; V385-W566 HydrophobicContact CG2-CH2 3.55Å; V385-W566 HydrophobicContact CG2-CZ3 3.75Å; V385-L570 HydrophobicContact CG1-CD2 4.37Å
386	P	86.8	Confident	89.3	Confident	28 Å²	28	43.8 Å²	43.8	18%	0.182	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.5	-166.5	30.4	-40.3	0	0	0	114.5	W308 A310 R382 S384	W308-P386 VanDerWaalsContact CD1-CB 3.49Å; W308-P386 HydrophobicContact CG-CB 4Å; A310-P386 HydrophobicContact CB-CB 3.93Å; A310-P386 HydrophobicContact CB-CG 3.69Å; R382-P386 WeakPolarHBondContact O-CA 3.14Å; S384-P386 VanDerWaalsContact C-CD 3.43Å; S384-P386 WeakPolarHBondContact O-CD 3.17Å
387	H	84.9	Confident	89.4	Confident	110 Å²	110	44.2 Å²	44.2	51%	0.509	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-8	179.3	-47.1	-82.2	0	0	0	113.3	W308 V385	W308-H387 AromaticContact CE2-CE1 3.64Å; W308-H387 AromaticContact CE2-ND1 3.71Å; W308-H387 AromaticContact CH2-ND1 3.78Å; W308-H387 AromaticContact CZ2-CE1 3.14Å; W308-H387 WeakPolarHBondContact CZ2-CE1 3.44Å; W308-H387 AromaticContact CZ2-ND1 3.17Å; W308-H387 WeakPolarHBondContact CZ2-ND1 3.39Å; W308-H387 AromaticContact NE1-CE1 3.78Å; V385-H387 PolarHBondContact O-N 3Å
388	A	88.4	Confident	89.7	Confident	15 Å²	15	46.6 Å²	46.6	12%	0.124	23%	0.232	C	C	.	.			trans	-76.9	143	-179	0	0	0	0	0	111	V385 L393 L574	V385-A388 HydrophobicContact CB-CB 4.25Å; V385-A388 HydrophobicContact CG1-CB 3.7Å; V385-A388 WeakPolarHBondContact O-CB 3.25Å; V385-A388 PolarHBondContact O-N 3.01Å; A388-L393 HydrophobicContact CB-CD2 3.82Å; A388-L393 HydrophobicContact CB-CG 4.2Å; A388-L574 HydrophobicContact CB-CD1 4.43Å; A388-L574 HydrophobicContact CB-CD2 4.01Å
389	N	89.5	Confident	90.5	Very high	46 Å²	46	44.2 Å²	44.2	25%	0.246	22%	0.221	C	C	.	.			trans	-80.5	172	166.5	59.4	9.2	0	0	0	110.5	I391 G392 L393 L574 T577	N389-I391 VanDerWaalsContact C-N 3.3Å; N389-I391 PolarHBondContact O-N 3.12Å; N389-I391 VanDerWaalsContact OD1-CG2 3.3Å; N389-I391 WeakPolarHBondContact OD1-CG2 3.36Å; N389-G392 CarbonylContact O-C 3.57Å; N389-G392 WeakPolarHBondContact O-CA 3.45Å; N389-G392 PolarHBondContact O-N 2.73Å; N389-G392 PolarHBondContact OD1-N 2.79Å; N389-G392 VanDerWaalsContact OD1-N 3.13Å; N389-L393 PolarHBondContact O-N 2.62Å; N389-L574 VanDerWaalsContact OD1-CD2 3.31Å; N389-L574 WeakPolarHBondContact OD1-CD2 3.47Å; N389-T577 WeakPolarHBondContact ND2-CB 3.22Å; N389-T577 PolarHBondContact ND2-OG1 2.81Å
390	D	90.6	Very high	91.6	Very high	123 Å²	123	45.2 Å²	45.2	66%	0.658	22%	0.224	S	C	*	.	H	α-helix	trans	-53.6	-43	-173	-61	-18	0	0	0	113.4	G392 L393 E394	D390-G392 VanDerWaalsContact C-N 3.3Å; D390-G392 PolarHBondContact O-N 3.43Å; D390-L393 PolarHBondContact O-N 3.29Å; D390-L393 VanDerWaalsContact O-N 3.16Å; D390-E394 WeakPolarHBondContact O-CG 3.39Å; D390-E394 PolarHBondContact O-N 3.31Å
391	I	92.8	Very high	92.7	Very high	88 Å²	88	45.7 Å²	45.7	45%	0.451	23%	0.228	S	C	.	.	H	α-helix	trans	-67	-31.8	177.4	-168.9	61.9	0	0	0	112.6	N389 A395 L573 T577	N389-I391 VanDerWaalsContact C-N 3.3Å; N389-I391 PolarHBondContact O-N 3.12Å; N389-I391 VanDerWaalsContact OD1-CG2 3.3Å; N389-I391 WeakPolarHBondContact OD1-CG2 3.36Å; I391-A395 WeakPolarHBondContact O-CB 3.46Å; I391-A395 PolarHBondContact O-N 2.79Å; I391-A395 VanDerWaalsContact O-N 3.07Å; I391-L573 HydrophobicContact CG1-CD1 4.34Å; I391-L573 HydrophobicContact CG1-CD2 4.48Å; I391-T577 HydrophobicContact CG2-CG2 3.88Å
392	G	94.4	Very high	93.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.6	-41.9	170.9	0	0	0	0	0	112.1	N389 D390 A395 V396	N389-G392 CarbonylContact O-C 3.57Å; N389-G392 WeakPolarHBondContact O-CA 3.45Å; N389-G392 PolarHBondContact O-N 2.73Å; N389-G392 PolarHBondContact OD1-N 2.79Å; N389-G392 VanDerWaalsContact OD1-N 3.13Å; D390-G392 VanDerWaalsContact C-N 3.3Å; D390-G392 PolarHBondContact O-N 3.43Å; G392-A395 WeakPolarHBondContact O-CB 3.38Å; G392-A395 PolarHBondContact O-N 3.19Å; G392-V396 WeakPolarHBondContact O-CG2 3.38Å; G392-V396 PolarHBondContact O-N 3.38Å
393	L	94.4	Very high	93.5	Very high	24 Å²	24	48.3 Å²	48.3	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-46.2	176	-59.4	175.3	0	0	0	111	V381 R382 V385 A388 N389 D390 A395 V396 V397	V381-L393 HydrophobicContact CG1-CB 4.06Å; V381-L393 HydrophobicContact CG1-CD2 3.87Å; R382-L393 HydrophobicContact CG-CD1 4.23Å; V385-L393 HydrophobicContact CB-CD2 4.5Å; A388-L393 HydrophobicContact CB-CD2 3.82Å; A388-L393 HydrophobicContact CB-CG 4.2Å; N389-L393 PolarHBondContact O-N 2.62Å; D390-L393 PolarHBondContact O-N 3.29Å; D390-L393 VanDerWaalsContact O-N 3.16Å; L393-A395 VanDerWaalsContact C-N 3.26Å; L393-A395 PolarHBondContact O-N 2.88Å; L393-V396 WeakPolarHBondContact O-CB 3.37Å; L393-V396 PolarHBondContact O-N 3.49Å; L393-V397 WeakPolarHBondContact O-CG2 3.28Å; L393-V397 PolarHBondContact O-N 3.09Å
394	E	95.1	Very high	93.8	Very high	118 Å²	118	55.4 Å²	55.4	55%	0.551	28%	0.276	S	S	*	.	H	α-helix	trans	-58.3	-37.9	175	-74.7	-64.2	161.8	0	0	112.4	D390 V396 V397 L398	D390-E394 WeakPolarHBondContact O-CG 3.39Å; D390-E394 PolarHBondContact O-N 3.31Å; E394-V396 VanDerWaalsContact C-N 3.31Å; E394-V396 PolarHBondContact O-N 3.29Å; E394-V397 PolarHBondContact O-N 3.17Å; E394-L398 VanDerWaalsContact O-CB 3.28Å; E394-L398 WeakPolarHBondContact O-CB 3.48Å; E394-L398 PolarHBondContact O-N 3.31Å
395	A	97.1	Very high	94.1	Very high	12 Å²	12	58.3 Å²	58.3	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-36.4	175.3	0	0	0	0	0	112.5	I391 G392 L393 Q399 F565 F569 L573	I391-A395 WeakPolarHBondContact O-CB 3.46Å; I391-A395 PolarHBondContact O-N 2.79Å; I391-A395 VanDerWaalsContact O-N 3.07Å; G392-A395 WeakPolarHBondContact O-CB 3.38Å; G392-A395 PolarHBondContact O-N 3.19Å; L393-A395 VanDerWaalsContact C-N 3.26Å; L393-A395 PolarHBondContact O-N 2.88Å; A395-Q399 WeakPolarHBondContact O-CB 3.44Å; A395-Q399 PolarHBondContact O-N 3.18Å; A395-Q399 VanDerWaalsContact O-N 3.16Å; A395-F565 HydrophobicContact CB-CE2 4.03Å; A395-F565 HydrophobicContact CB-CZ 4.26Å; A395-F569 HydrophobicContact CB-CE1 4.03Å; A395-L573 HydrophobicContact CB-CD2 3.81Å
396	V	97.2	Very high	94.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-69	-47.1	174.4	177.7	0	0	0	0	110.2	V381 V385 G392 L393 E394 L398 Q399 Y400 I419 F565 W566 L570	V381-V396 HydrophobicContact CG1-CB 3.82Å; V381-V396 HydrophobicContact CG1-CG1 3.85Å; V381-V396 HydrophobicContact CG2-CG1 4.21Å; V385-V396 HydrophobicContact CG2-CG2 4.31Å; G392-V396 WeakPolarHBondContact O-CG2 3.38Å; G392-V396 PolarHBondContact O-N 3.38Å; L393-V396 WeakPolarHBondContact O-CB 3.37Å; L393-V396 PolarHBondContact O-N 3.49Å; E394-V396 VanDerWaalsContact C-N 3.31Å; E394-V396 PolarHBondContact O-N 3.29Å; V396-L398 VanDerWaalsContact C-N 3.29Å; V396-L398 PolarHBondContact O-N 3.05Å; V396-Q399 PolarHBondContact O-N 2.89Å; V396-Q399 VanDerWaalsContact O-N 3.07Å; V396-Y400 HydrophobicContact CG1-CD2 4.08Å; V396-Y400 WeakPolarHBondContact O-CD2 3.47Å; V396-Y400 PolarHBondContact O-N 3.01Å; V396-Y400 VanDerWaalsContact O-N 3.1Å; V396-I419 HydrophobicContact CG1-CD1 3.92Å; V396-I419 HydrophobicContact CG1-CG1 4.07Å; V396-I419 HydrophobicContact CG1-CG2 4.29Å; V396-F565 HydrophobicContact CB-CZ 4.37Å; V396-F565 HydrophobicContact CG2-CE1 3.95Å; V396-F565 HydrophobicContact CG2-CZ 3.77Å; V396-W566 HydrophobicContact CG1-CH2 4.01Å; V396-W566 HydrophobicContact CG1-CZ2 4.25Å; V396-W566 HydrophobicContact CG2-CH2 3.68Å; V396-W566 HydrophobicContact CG2-CZ2 4.43Å; V396-W566 HydrophobicContact CG2-CZ3 4.13Å; V396-L570 HydrophobicContact CG2-CD2 4.21Å
397	V	96.9	Very high	94.9	Very high	9 Å²	9	65.7 Å²	65.7	6%	0.055	33%	0.327	C	S	.	.	H	α-helix	trans	-54.7	-47.7	176	174.3	0	0	0	0	110.6	F376 L377 V381 L393 E394 Q399 Y400 T401 W403	F376-V397 HydrophobicContact CE1-CG1 4.39Å; L377-V397 HydrophobicContact CD2-CB 4.32Å; L377-V397 HydrophobicContact CD2-CG1 3.77Å; L377-V397 HydrophobicContact CD2-CG2 3.47Å; L377-V397 VanDerWaalsContact CD2-CG2 3.47Å; V381-V397 HydrophobicContact CB-CG2 4.39Å; V381-V397 HydrophobicContact CG1-CG2 4.23Å; V381-V397 HydrophobicContact CG2-CG2 3.84Å; L393-V397 WeakPolarHBondContact O-CG2 3.28Å; L393-V397 PolarHBondContact O-N 3.09Å; E394-V397 PolarHBondContact O-N 3.17Å; V397-Q399 VanDerWaalsContact C-N 3.28Å; V397-Q399 PolarHBondContact O-N 3.16Å; V397-Y400 PolarHBondContact O-N 3.08Å; V397-T401 WeakPolarHBondContact O-CB 3.46Å; V397-T401 PolarHBondContact O-N 3.23Å; V397-T401 PolarHBondContact O-OG1 3.23Å; V397-W403 HydrophobicContact CG1-CH2 4.17Å; V397-W403 HydrophobicContact CG1-CZ2 4.24Å
398	L	97.3	Very high	95.5	Very high	116 Å²	116	62.7 Å²	62.7	61%	0.607	32%	0.315	S	S	*	.	H	α-helix	trans	-57.6	-41.5	177.5	179.7	66.5	0	0	0	112.5	E394 V396 W403	E394-L398 VanDerWaalsContact O-CB 3.28Å; E394-L398 WeakPolarHBondContact O-CB 3.48Å; E394-L398 PolarHBondContact O-N 3.31Å; V396-L398 VanDerWaalsContact C-N 3.29Å; V396-L398 PolarHBondContact O-N 3.05Å; L398-W403 HydrophobicContact CD1-CZ2 4.15Å; L398-W403 PolarHBondContact O-NE1 2.96Å
399	Q	97.6	Very high	95.9	Very high	68 Å²	68	62.8 Å²	62.8	32%	0.318	32%	0.317	S	S	.	.	H	α-helix	trans	-75.1	-29.4	-174	-171.6	54.9	70.5	0	0	113.3	A395 V396 V397 M562 F565	A395-Q399 WeakPolarHBondContact O-CB 3.44Å; A395-Q399 PolarHBondContact O-N 3.18Å; A395-Q399 VanDerWaalsContact O-N 3.16Å; V396-Q399 PolarHBondContact O-N 2.89Å; V396-Q399 VanDerWaalsContact O-N 3.07Å; V397-Q399 VanDerWaalsContact C-N 3.28Å; V397-Q399 PolarHBondContact O-N 3.16Å; Q399-M562 HydrophobicContact CG-CE 4.25Å; Q399-M562 HydrophobicContact CG-SD 3.97Å; Q399-F565 HydrophobicContact CB-CD2 4.31Å; Q399-F565 HydrophobicContact CB-CE2 4.18Å; Q399-F565 HydrophobicContact CB-CZ 4.33Å; Q399-F565 HydrophobicContact CG-CB 4.39Å; Q399-F565 HydrophobicContact CG-CD1 4.22Å; Q399-F565 HydrophobicContact CG-CD2 4.1Å; Q399-F565 HydrophobicContact CG-CE2 4.45Å; Q399-F565 HydrophobicContact CG-CG 3.98Å
400	Y	97.8	Very high	96.4	Very high	22 Å²	22	63.2 Å²	63.2	9%	0.086	32%	0.321	C	S	.	.	H	α-helix	trans	-113.6	-4.2	-171.7	-75.3	-87.9	0	0	0	114.8	V396 V397 A415 D418 I419 D422 M562 W566	V396-Y400 HydrophobicContact CG1-CD2 4.08Å; V396-Y400 WeakPolarHBondContact O-CD2 3.47Å; V396-Y400 PolarHBondContact O-N 3.01Å; V396-Y400 VanDerWaalsContact O-N 3.1Å; V397-Y400 PolarHBondContact O-N 3.08Å; Y400-A415 WeakPolarHBondContact O-CB 3.07Å; Y400-D418 HydrophobicContact CD1-CB 4.21Å; Y400-D418 HydrophobicContact CE1-CB 3.88Å; Y400-I419 HydrophobicContact CD1-CD1 4.4Å; Y400-I419 HydrophobicContact CD1-CG1 3.65Å; Y400-I419 HydrophobicContact CD2-CD1 4.18Å; Y400-I419 HydrophobicContact CD2-CG1 3.57Å; Y400-I419 HydrophobicContact CE1-CG1 3.98Å; Y400-I419 HydrophobicContact CE2-CG1 3.91Å; Y400-I419 HydrophobicContact CG-CD1 3.88Å; Y400-I419 HydrophobicContact CG-CG1 3.43Å; Y400-I419 VanDerWaalsContact CG-CG1 3.43Å; Y400-D422 WeakPolarHBondContact OH-CB 3.39Å; Y400-D422 PolarHBondContact OH-OD2 3.36Å; Y400-M562 HydrophobicContact CE1-CG 4.45Å; Y400-M562 HydrophobicContact CE1-SD 3.93Å; Y400-M562 HydrophobicContact CE2-SD 4.24Å; Y400-W566 AromaticContact CE2-CZ2 3.77Å; Y400-W566 HydrophobicContact CE2-CZ2 3.77Å; Y400-W566 AromaticContact CE2-NE1 3.79Å; Y400-W566 AromaticContact CZ-NE1 3.67Å; Y400-W566 PolarHBondContact OH-NE1 3.27Å
401	T	97.6	Very high	96.7	Very high	11 Å²	11	61.1 Å²	61.1	7%	0.067	31%	0.306	C	S	.	.			trans	-89.1	128.5	175	-58.6	0	0	0	0	111	K373 V397 W403 E406	K373-T401 VanDerWaalsContact NZ-CG2 3.27Å; K373-T401 PolarHBondContact NZ-OG1 3.1Å; V397-T401 WeakPolarHBondContact O-CB 3.46Å; V397-T401 PolarHBondContact O-N 3.23Å; V397-T401 PolarHBondContact O-OG1 3.23Å; T401-W403 HydrophobicContact CG2-CD2 3.88Å; T401-W403 HydrophobicContact CG2-CE3 4.03Å; T401-W403 HydrophobicContact CG2-CG 4.31Å; T401-W403 HydrophobicContact CG2-CZ2 4.35Å; T401-W403 HydrophobicContact CG2-CZ3 4.35Å; T401-W403 VanDerWaalsContact O-CD1 3.25Å; T401-W403 PolarHBondContact O-N 3.24Å; T401-W403 PolarHBondContact O-NE1 3.23Å; T401-E406 HydrophobicContact CG2-CB 3.93Å
402	D	97.1	Very high	97	Very high	59 Å²	59	57.1 Å²	57.1	32%	0.316	29%	0.286	S	S	.	.			trans	-78.2	98.6	160.6	-178.3	-0.1	0	0	0	109.6	M404 D405 E406 K411	D402-M404 PolarHBondContact O-N 3.41Å; D402-M404 VanDerWaalsContact O-N 3.12Å; D402-M404 PolarHBondContact OD1-N 2.91Å; D402-M404 VanDerWaalsContact OD1-N 3.08Å; D402-D405 CarbonylContact O-C 3.53Å; D402-D405 VanDerWaalsContact O-C 3.3Å; D402-D405 PolarHBondContact O-N 2.8Å; D402-E406 WeakPolarHBondContact O-CA 3.16Å; D402-E406 PolarHBondContact O-N 2.84Å; D402-E406 VanDerWaalsContact O-N 3.07Å; D402-K411 HydrophobicContact CB-CD 4.12Å; D402-K411 IonicContact OD2-NZ 3.67Å; D402-K411 PolarHBondContact OD2-NZ 2.78Å
403	W	96.7	Very high	97.1	Very high	133 Å²	133	58.6 Å²	58.6	50%	0.504	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.6	-176.6	-63.2	98.9	0	0	0	114.7	V397 L398 T401	V397-W403 HydrophobicContact CG1-CH2 4.17Å; V397-W403 HydrophobicContact CG1-CZ2 4.24Å; L398-W403 HydrophobicContact CD1-CZ2 4.15Å; L398-W403 PolarHBondContact O-NE1 2.96Å; T401-W403 HydrophobicContact CG2-CD2 3.88Å; T401-W403 HydrophobicContact CG2-CE3 4.03Å; T401-W403 HydrophobicContact CG2-CG 4.31Å; T401-W403 HydrophobicContact CG2-CZ2 4.35Å; T401-W403 HydrophobicContact CG2-CZ3 4.35Å; T401-W403 VanDerWaalsContact O-CD1 3.25Å; T401-W403 PolarHBondContact O-N 3.24Å; T401-W403 PolarHBondContact O-NE1 3.23Å
404	M	97.8	Very high	97.3	Very high	177 Å²	177	60.6 Å²	60.6	87%	0.872	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-11.8	170.9	-64	-170.7	-62.3	0	0	112.8	D402	D402-M404 PolarHBondContact O-N 3.41Å; D402-M404 VanDerWaalsContact O-N 3.12Å; D402-M404 PolarHBondContact OD1-N 2.91Å; D402-M404 VanDerWaalsContact OD1-N 3.08Å
405	D	97	Very high	97.5	Very high	60 Å²	60	55.4 Å²	55.4	32%	0.321	28%	0.279	S	S	.	.	S	Bend	trans	-152.8	43.4	-171.5	-164.5	21.6	0	0	0	111.7	D402 N407 N408 K411	D402-D405 CarbonylContact O-C 3.53Å; D402-D405 VanDerWaalsContact O-C 3.3Å; D402-D405 PolarHBondContact O-N 2.8Å; D405-N407 PolarHBondContact O-N 2.93Å; D405-N407 VanDerWaalsContact O-N 3.13Å; D405-N408 VanDerWaalsContact O-CB 3.27Å; D405-N408 WeakPolarHBondContact O-CB 3.13Å; D405-N408 PolarHBondContact O-N 2.87Å; D405-N408 VanDerWaalsContact O-N 3.11Å; D405-N408 WeakPolarHBondContact OD2-CB 3.24Å; D405-N408 PolarHBondContact OD2-ND2 2.95Å; D405-K411 HydrophobicContact CB-CD 4.23Å; D405-K411 VanDerWaalsContact CB-NZ 3.31Å; D405-K411 WeakPolarHBondContact OD2-CE 3.41Å; D405-K411 IonicContact OD2-NZ 3.28Å; D405-K411 PolarHBondContact OD2-NZ 3.14Å
406	E	95.3	Very high	97.5	Very high	73 Å²	73	54.8 Å²	54.8	34%	0.341	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18	-168.1	64.4	-178.2	-174.7	0	0	115.1	T401 D402 N412	T401-E406 HydrophobicContact CG2-CB 3.93Å; D402-E406 WeakPolarHBondContact O-CA 3.16Å; D402-E406 PolarHBondContact O-N 2.84Å; D402-E406 VanDerWaalsContact O-N 3.07Å; E406-N412 PolarHBondContact O-ND2 3.06Å; E406-N412 PolarHBondContact O-OD1 3Å
407	N	96.6	Very high	97.6	Very high	116 Å²	116	55.2 Å²	55.2	62%	0.62	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	7.1	179.8	-65.6	-53	0	0	0	112.9	D405 G409	D405-N407 PolarHBondContact O-N 2.93Å; D405-N407 VanDerWaalsContact O-N 3.13Å; N407-G409 PolarHBondContact O-N 2.71Å
408	N	98.2	Very high	97.7	Very high	47 Å²	47	57 Å²	57	25%	0.251	29%	0.286	S	S	.	.			trans	-76.4	111.5	179	-174.8	-36.5	0	0	0	111.3	D405 V410 K411 N412	D405-N408 VanDerWaalsContact O-CB 3.27Å; D405-N408 WeakPolarHBondContact O-CB 3.13Å; D405-N408 PolarHBondContact O-N 2.87Å; D405-N408 VanDerWaalsContact O-N 3.11Å; D405-N408 WeakPolarHBondContact OD2-CB 3.24Å; D405-N408 PolarHBondContact OD2-ND2 2.95Å; N408-V410 VanDerWaalsContact C-N 3.27Å; N408-V410 PolarHBondContact O-N 3.04Å; N408-V410 WeakPolarHBondContact OD1-CB 3.49Å; N408-V410 PolarHBondContact OD1-N 2.91Å; N408-K411 HydrophobicContact CB-CB 4.11Å; N408-K411 HydrophobicContact CB-CD 4.07Å; N408-K411 HydrophobicContact CB-CG 4.15Å; N408-K411 PolarHBondContact O-N 3.23Å; N408-K411 PolarHBondContact OD1-N 3.39Å; N408-N412 PolarHBondContact O-N 3.05Å
409	G	97.9	Very high	97.7	Very high	16 Å²	16	51.5 Å²	51.5	17%	0.165	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-24.6	-175.2	0	0	0	0	0	115.7	I371 N407 R413	I371-G409 PolarHBondContact N-O 2.84Å; I371-G409 VanDerWaalsContact N-O 3.07Å; I371-G409 WeakPolarHBondContact O-CA 3.02Å; N407-G409 PolarHBondContact O-N 2.71Å; G409-R413 WeakPolarHBondContact O-CB 3.24Å; G409-R413 PolarHBondContact O-N 3.34Å; G409-R413 VanDerWaalsContact O-N 3.15Å
410	V	98.3	Very high	97.7	Very high	56 Å²	56	48.2 Å²	48.2	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-73.1	-48.5	173.5	176.7	0	0	0	0	109.9	L370 N408 N412 R413 D414	L370-V410 HydrophobicContact CD2-CG2 3.56Å; N408-V410 VanDerWaalsContact C-N 3.27Å; N408-V410 PolarHBondContact O-N 3.04Å; N408-V410 WeakPolarHBondContact OD1-CB 3.49Å; N408-V410 PolarHBondContact OD1-N 2.91Å; V410-N412 VanDerWaalsContact C-N 3.3Å; V410-N412 PolarHBondContact O-N 2.82Å; V410-R413 WeakPolarHBondContact O-CB 3.26Å; V410-R413 PolarHBondContact O-N 2.9Å; V410-D414 VanDerWaalsContact O-CG 3.23Å; V410-D414 PolarHBondContact O-N 3.05Å
411	K	98.3	Very high	97.8	Very high	78 Å²	78	47.3 Å²	47.3	34%	0.339	24%	0.239	S	C	.	.	H	α-helix	trans	-62.3	-39	178.6	-69.6	-178.4	177.2	169.1	0	111.9	D402 D405 N408 A415	D402-K411 HydrophobicContact CB-CD 4.12Å; D402-K411 IonicContact OD2-NZ 3.67Å; D402-K411 PolarHBondContact OD2-NZ 2.78Å; D405-K411 HydrophobicContact CB-CD 4.23Å; D405-K411 VanDerWaalsContact CB-NZ 3.31Å; D405-K411 WeakPolarHBondContact OD2-CE 3.41Å; D405-K411 IonicContact OD2-NZ 3.28Å; D405-K411 PolarHBondContact OD2-NZ 3.14Å; N408-K411 HydrophobicContact CB-CB 4.11Å; N408-K411 HydrophobicContact CB-CD 4.07Å; N408-K411 HydrophobicContact CB-CG 4.15Å; N408-K411 PolarHBondContact O-N 3.23Å; N408-K411 PolarHBondContact OD1-N 3.39Å; K411-A415 WeakPolarHBondContact O-CB 3.49Å; K411-A415 PolarHBondContact O-N 2.83Å
412	N	98.1	Very high	97.8	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.027	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-43.3	176	-73.2	-17.6	0	0	0	111.9	I371 F376 E406 N408 V410 A415 M416	I371-N412 HydrophobicContact CB-CB 4.09Å; I371-N412 HydrophobicContact CG2-CB 4.29Å; I371-N412 WeakPolarHBondContact O-CB 3.46Å; I371-N412 PolarHBondContact O-ND2 2.9Å; F376-N412 HydrophobicContact CB-CB 4.14Å; F376-N412 HydrophobicContact CD2-CB 4.32Å; F376-N412 HydrophobicContact CG-CB 4.41Å; E406-N412 PolarHBondContact O-ND2 3.06Å; E406-N412 PolarHBondContact O-OD1 3Å; N408-N412 PolarHBondContact O-N 3.05Å; V410-N412 VanDerWaalsContact C-N 3.3Å; V410-N412 PolarHBondContact O-N 2.82Å; N412-A415 PolarHBondContact O-N 2.82Å; N412-M416 WeakPolarHBondContact O-CG 3.18Å; N412-M416 PolarHBondContact O-N 2.92Å
413	R	98.2	Very high	97.9	Very high	30 Å²	30	45.4 Å²	45.4	11%	0.113	23%	0.228	C	C	.	.	H	α-helix	trans	-58.5	-52.5	174.5	-176.7	-162.9	66.2	-159.3	-0	111.4	F363 E368 S369 I371 G409 V410 A415 M416 D417 W476	F363-R413 HydrophobicContact CE1-CG 3.69Å; F363-R413 HydrophobicContact CZ-CG 4.13Å; E368-R413 WeakPolarHBondContact O-CD 3.49Å; E368-R413 PolarHBondContact O-NH1 3.38Å; S369-R413 VanDerWaalsContact O-CD 3.31Å; S369-R413 WeakPolarHBondContact O-CD 3.34Å; S369-R413 WeakPolarHBondContact O-CG 3.16Å; I371-R413 HydrophobicContact CB-CB 4.45Å; I371-R413 HydrophobicContact CG1-CB 3.85Å; I371-R413 HydrophobicContact CG1-CG 4.26Å; G409-R413 WeakPolarHBondContact O-CB 3.24Å; G409-R413 PolarHBondContact O-N 3.34Å; G409-R413 VanDerWaalsContact O-N 3.15Å; V410-R413 WeakPolarHBondContact O-CB 3.26Å; V410-R413 PolarHBondContact O-N 2.9Å; R413-A415 VanDerWaalsContact C-N 3.3Å; R413-A415 PolarHBondContact O-N 3.21Å; R413-M416 WeakPolarHBondContact O-CB 3.09Å; R413-M416 PolarHBondContact O-N 2.96Å; R413-M416 VanDerWaalsContact O-N 3.13Å; R413-D417 PolarHBondContact O-N 2.94Å; R413-D417 VanDerWaalsContact O-N 3.09Å; R413-W476 HydrophobicContact CG-CE3 4.42Å; R413-W476 VanDerWaalsContact NH1-CB 3.29Å
414	D	98.4	Very high	97.9	Very high	66 Å²	66	39.1 Å²	39.1	35%	0.353	20%	0.204	S	C	.	.	H	α-helix	trans	-66.7	-35.3	-176.6	-61.2	-8.7	0	0	0	110.8	V410 D417 D418	V410-D414 VanDerWaalsContact O-CG 3.23Å; V410-D414 PolarHBondContact O-N 3.05Å; D414-D417 PolarHBondContact O-N 2.81Å; D414-D418 WeakPolarHBondContact O-CB 3.42Å; D414-D418 PolarHBondContact O-N 3.43Å
415	A	98.1	Very high	98	Very high	9 Å²	9	30.7 Å²	30.7	7%	0.074	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-37.4	172.9	0	0	0	0	0	112.5	F376 Y400 K411 N412 R413 I419	F376-A415 HydrophobicContact CD2-CB 4.45Å; F376-A415 HydrophobicContact CE2-CB 3.73Å; F376-A415 HydrophobicContact CZ-CB 4.49Å; Y400-A415 WeakPolarHBondContact O-CB 3.07Å; K411-A415 WeakPolarHBondContact O-CB 3.49Å; K411-A415 PolarHBondContact O-N 2.83Å; N412-A415 PolarHBondContact O-N 2.82Å; R413-A415 VanDerWaalsContact C-N 3.3Å; R413-A415 PolarHBondContact O-N 3.21Å; A415-I419 WeakPolarHBondContact O-CB 3.23Å; A415-I419 WeakPolarHBondContact O-CD1 3.01Å; A415-I419 WeakPolarHBondContact O-CG1 3.34Å; A415-I419 PolarHBondContact O-N 2.98Å
416	M	97.8	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-43	173.4	-74.2	-174.3	60.9	0	0	111.8	L356 A360 F363 I371 F376 A379 G380 N412 R413 I419 V420	L356-M416 HydrophobicContact CD1-CB 3.9Å; L356-M416 HydrophobicContact CD2-CB 3.93Å; L356-M416 HydrophobicContact CD2-CE 3.37Å; A360-M416 HydrophobicContact CB-CE 3.81Å; F363-M416 HydrophobicContact CD2-CE 4.38Å; F363-M416 HydrophobicContact CE2-CE 3.41Å; F363-M416 VanDerWaalsContact CE2-CE 3.41Å; F363-M416 HydrophobicContact CE2-SD 3.62Å; F363-M416 HydrophobicContact CZ-CB 4.1Å; F363-M416 HydrophobicContact CZ-CE 3.91Å; F363-M416 HydrophobicContact CZ-SD 3.81Å; I371-M416 HydrophobicContact CG1-SD 4.34Å; I371-M416 HydrophobicContact CG2-SD 3.7Å; F376-M416 HydrophobicContact CD2-CG 3.73Å; F376-M416 HydrophobicContact CE2-CG 4.31Å; A379-M416 HydrophobicContact CB-CE 4.11Å; G380-M416 VanDerWaalsContact CA-SD 3.54Å; G380-M416 VanDerWaalsContact N-CE 3.31Å; N412-M416 WeakPolarHBondContact O-CG 3.18Å; N412-M416 PolarHBondContact O-N 2.92Å; R413-M416 WeakPolarHBondContact O-CB 3.09Å; R413-M416 PolarHBondContact O-N 2.96Å; R413-M416 VanDerWaalsContact O-N 3.13Å; M416-I419 PolarHBondContact O-N 3.47Å; M416-V420 WeakPolarHBondContact O-CG2 3.15Å; M416-V420 PolarHBondContact O-N 2.95Å
417	D	98.5	Very high	98.2	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.043	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-50.1	177.4	-170	-2.3	0	0	0	110.2	D350 G352 S353 L356 R413 D414 I419 V420 G421	D350-D417 WeakPolarHBondContact CB-OD2 3.3Å; G352-D417 VanDerWaalsContact C-OD1 3.27Å; G352-D417 WeakPolarHBondContact CA-OD1 3.49Å; G352-D417 PolarHBondContact N-OD1 3.25Å; S353-D417 PolarHBondContact N-OD1 2.95Å; L356-D417 VanDerWaalsContact CD1-CA 3.43Å; L356-D417 HydrophobicContact CD1-CB 3.95Å; R413-D417 PolarHBondContact O-N 2.94Å; R413-D417 VanDerWaalsContact O-N 3.09Å; D414-D417 PolarHBondContact O-N 2.81Å; D417-I419 PolarHBondContact O-N 3.08Å; D417-V420 PolarHBondContact O-N 3.31Å; D417-G421 PolarHBondContact O-N 2.93Å
418	D	98.5	Very high	98.3	Very high	47 Å²	47	19.3 Å²	19.3	25%	0.251	10%	0.104	S	C	.	.	H	α-helix	trans	-58.3	-43.4	176.2	-90.5	-10.9	0	0	0	112.8	Y400 D414 D422 R559	Y400-D418 HydrophobicContact CD1-CB 4.21Å; Y400-D418 HydrophobicContact CE1-CB 3.88Å; D414-D418 WeakPolarHBondContact O-CB 3.42Å; D414-D418 PolarHBondContact O-N 3.43Å; D418-D422 WeakPolarHBondContact O-CA 3.45Å; D418-D422 WeakPolarHBondContact O-CB 3.47Å; D418-D422 PolarHBondContact O-N 2.05Å; D418-R559 IonicContact OD1-CZ 2.92Å; D418-R559 VanDerWaalsContact OD1-CZ 3.28Å; D418-R559 IonicContact OD1-NH1 3.77Å; D418-R559 PolarHBondContact OD1-NH1 2.89Å; D418-R559 IonicContact OD1-NH2 3.36Å; D418-R559 PolarHBondContact OD1-NH2 2.94Å; D418-R559 VanDerWaalsContact OD1-NH2 3.12Å; D418-R559 IonicContact OD2-CZ 3.82Å; D418-R559 IonicContact OD2-NH1 2.72Å; D418-R559 IonicContact OD2-NH2 3.55Å; D418-R559 PolarHBondContact OD2-NH2 3.18Å
419	I	98.3	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.1	-48.7	176.8	-73.7	162.1	0	0	0	110.6	F376 V381 V396 Y400 A415 M416 D417 H423 W566	F376-I419 HydrophobicContact CE2-CD1 3.88Å; F376-I419 HydrophobicContact CZ-CD1 4.1Å; V381-I419 HydrophobicContact CG2-CD1 4.11Å; V396-I419 HydrophobicContact CG1-CD1 3.92Å; V396-I419 HydrophobicContact CG1-CG1 4.07Å; V396-I419 HydrophobicContact CG1-CG2 4.29Å; Y400-I419 HydrophobicContact CD1-CD1 4.4Å; Y400-I419 HydrophobicContact CD1-CG1 3.65Å; Y400-I419 HydrophobicContact CD2-CD1 4.18Å; Y400-I419 HydrophobicContact CD2-CG1 3.57Å; Y400-I419 HydrophobicContact CE1-CG1 3.98Å; Y400-I419 HydrophobicContact CE2-CG1 3.91Å; Y400-I419 HydrophobicContact CG-CD1 3.88Å; Y400-I419 HydrophobicContact CG-CG1 3.43Å; Y400-I419 VanDerWaalsContact CG-CG1 3.43Å; A415-I419 WeakPolarHBondContact O-CB 3.23Å; A415-I419 WeakPolarHBondContact O-CD1 3.01Å; A415-I419 WeakPolarHBondContact O-CG1 3.34Å; A415-I419 PolarHBondContact O-N 2.98Å; M416-I419 PolarHBondContact O-N 3.47Å; D417-I419 PolarHBondContact O-N 3.08Å; I419-H423 VanDerWaalsContact O-CB 3.24Å; I419-H423 WeakPolarHBondContact O-CB 3.2Å; I419-H423 PolarHBondContact O-N 3.49Å; I419-W566 HydrophobicContact CG2-CH2 4.22Å; I419-W566 HydrophobicContact CG2-CZ2 4.13Å
420	V	98	Very high	98.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.8	-46.4	-176.6	177	0	0	0	0	109.9	L311 F312 F355 L356 S384 M416 D417 N424	L311-V420 HydrophobicContact CD1-CG2 3.93Å; F312-V420 HydrophobicContact CD1-CG1 4Å; F355-V420 HydrophobicContact CB-CG1 4.19Å; L356-V420 HydrophobicContact CD1-CG2 4.46Å; L356-V420 HydrophobicContact CD2-CG2 3.86Å; L356-V420 HydrophobicContact CG-CG2 4.05Å; S384-V420 VanDerWaalsContact OG-CG2 3.23Å; S384-V420 WeakPolarHBondContact OG-CG2 3.05Å; M416-V420 WeakPolarHBondContact O-CG2 3.15Å; M416-V420 PolarHBondContact O-N 2.95Å; D417-V420 PolarHBondContact O-N 3.31Å; V420-N424 VanDerWaalsContact O-CB 3.27Å; V420-N424 WeakPolarHBondContact O-CB 3.33Å; V420-N424 PolarHBondContact O-N 3.37Å; V420-N424 VanDerWaalsContact O-N 3.14Å; V420-N424 PolarHBondContact O-ND2 2.86Å
421	G	98.6	Very high	98.3	Very high	2 Å²	2	16 Å²	16	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-65.4	-45.7	178.6	0	0	0	0	0	113	D417 V425 I426	D417-G421 PolarHBondContact O-N 2.93Å; G421-V425 PolarHBondContact O-N 2.95Å; G421-I426 PolarHBondContact O-N 3.18Å
422	D	98.7	Very high	98.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-63.2	-51.4	-179.7	-77.9	-30.7	0	0	0	111.8	Y400 D418 C427 P428 R559 M562	Y400-D422 WeakPolarHBondContact OH-CB 3.39Å; Y400-D422 PolarHBondContact OH-OD2 3.36Å; D418-D422 WeakPolarHBondContact O-CA 3.45Å; D418-D422 WeakPolarHBondContact O-CB 3.47Å; D418-D422 PolarHBondContact O-N 2.05Å; D422-C427 WeakPolarHBondContact O-CB 3.45Å; D422-C427 PolarHBondContact O-N 3.28Å; D422-P428 WeakPolarHBondContact O-CD 3.3Å; D422-R559 VanDerWaalsContact CG-NE 3.31Å; D422-R559 WeakPolarHBondContact OD1-CD 3.33Å; D422-R559 IonicContact OD1-CZ 2.77Å; D422-R559 IonicContact OD1-NE 3.98Å; D422-R559 PolarHBondContact OD1-NE 3.31Å; D422-R559 IonicContact OD1-NH2 3.37Å; D422-R559 IonicContact OD2-CZ 3.1Å; D422-R559 IonicContact OD2-NE 3.43Å; D422-R559 PolarHBondContact OD2-NE 3.44Å; D422-R559 IonicContact OD2-NH2 3.68Å; D422-R559 PolarHBondContact OD2-NH2 3.43Å; D422-M562 WeakPolarHBondContact OD2-CB 3.41Å; D422-M562 WeakPolarHBondContact OD2-CG 3.28Å
423	H	98	Very high	98.3	Very high	31 Å²	31	12.1 Å²	12.1	14%	0.144	7%	0.065	C	C	.	.	I	π-helix	trans	-66.7	-41.2	-176.8	179	52.4	0	0	0	112.6	R313 S384 I419 P428 W566	R313-H423 PolarHBondContact NH2-NE2 2.89Å; S384-H423 PolarHBondContact O-CD2 2.84Å; S384-H423 VanDerWaalsContact O-CD2 3.25Å; I419-H423 VanDerWaalsContact O-CB 3.24Å; I419-H423 WeakPolarHBondContact O-CB 3.2Å; I419-H423 PolarHBondContact O-N 3.49Å; H423-P428 WeakPolarHBondContact O-CD 3.18Å; H423-P428 VanDerWaalsContact O-CG 3.25Å; H423-P428 WeakPolarHBondContact O-CG 3.12Å; H423-W566 HydrophobicContact CB-CD2 4.09Å; H423-W566 HydrophobicContact CB-CE3 3.96Å; H423-W566 HydrophobicContact CB-CH2 3.96Å; H423-W566 HydrophobicContact CB-CZ2 4.06Å; H423-W566 HydrophobicContact CB-CZ3 3.89Å; H423-W566 AromaticContact CG-CE3 3.91Å; H423-W566 AromaticContact CG-CZ3 3.76Å; H423-W566 AromaticContact ND1-CE3 3.37Å; H423-W566 AromaticContact ND1-CZ3 3.52Å
424	N	98.3	Very high	98.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-95	-25.1	-168.9	-63.4	-72.9	0	0	0	114	C255 W257 F312 R313 V420	C255-N424 PolarHBondContact SG-O 2.87Å; W257-N424 PolarHBondContact NE1-O 2.92Å; F312-N424 HydrophobicContact CB-CB 4.36Å; F312-N424 HydrophobicContact CD1-CB 3.45Å; F312-N424 VanDerWaalsContact CD1-CB 3.45Å; F312-N424 HydrophobicContact CD2-CB 4.37Å; F312-N424 HydrophobicContact CE1-CB 3.71Å; F312-N424 HydrophobicContact CG-CB 3.81Å; F312-N424 HydrophobicContact CZ-CB 4.31Å; R313-N424 PolarHBondContact NH1-OD1 2.86Å; V420-N424 VanDerWaalsContact O-CB 3.27Å; V420-N424 WeakPolarHBondContact O-CB 3.33Å; V420-N424 PolarHBondContact O-N 3.37Å; V420-N424 VanDerWaalsContact O-N 3.14Å; V420-N424 PolarHBondContact O-ND2 2.86Å
425	V	98.8	Very high	98.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-130.2	-62.7	-172.9	-177.6	0	0	0	0	112	S250 F312 V347 E351 G421 L429	S250-V425 WeakPolarHBondContact O-CG1 3.42Å; F312-V425 HydrophobicContact CE1-CG2 3.76Å; F312-V425 HydrophobicContact CZ-CG2 3.75Å; V347-V425 HydrophobicContact CG1-CG1 3.91Å; E351-V425 HydrophobicContact CB-CB 4.16Å; E351-V425 HydrophobicContact CB-CG2 4.22Å; E351-V425 HydrophobicContact CG-CB 4.06Å; E351-V425 HydrophobicContact CG-CG1 3.94Å; E351-V425 WeakPolarHBondContact OE1-CG1 3.46Å; G421-V425 PolarHBondContact O-N 2.95Å; V425-L429 VanDerWaalsContact O-CB 3.24Å; V425-L429 WeakPolarHBondContact O-CB 3.18Å; V425-L429 PolarHBondContact O-N 3.03Å
426	I	98.8	Very high	97.9	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.021	6%	0.058	C	C	.	.	I	π-helix	trans	-67.7	-48.3	-165.2	-53.7	173.9	0	0	0	111.9	V347 E351 G421 L429 A430 L558 R559	V347-I426 HydrophobicContact CB-CG1 4.17Å; V347-I426 HydrophobicContact CG1-CG1 4.19Å; V347-I426 HydrophobicContact CG2-CG1 4.1Å; V347-I426 HydrophobicContact CG2-CG2 4.29Å; E351-I426 HydrophobicContact CG-CD1 4.34Å; E351-I426 HydrophobicContact CG-CG1 4.06Å; G421-I426 PolarHBondContact O-N 3.18Å; I426-L429 PolarHBondContact O-N 3.17Å; I426-A430 WeakPolarHBondContact O-CB 3.47Å; I426-A430 PolarHBondContact O-N 3.14Å; I426-L558 HydrophobicContact CG2-CD2 4.16Å; I426-L558 HydrophobicContact CG2-CG 4.19Å; I426-R559 HydrophobicContact CG2-CB 4.26Å; I426-R559 HydrophobicContact CG2-CG 4.19Å
427	C	98.8	Very high	97.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-75.4	-38.6	-176.5	-61.8	0	0	0	0	114.3	D422 L429 A430 H431 C563 W566 N567	D422-C427 WeakPolarHBondContact O-CB 3.45Å; D422-C427 PolarHBondContact O-N 3.28Å; C427-L429 VanDerWaalsContact C-N 3.3Å; C427-L429 PolarHBondContact O-N 3.09Å; C427-A430 PolarHBondContact O-N 3.44Å; C427-H431 PolarHBondContact O-N 3.06Å; C427-C563 WeakPolarHBondContact CA-SG 3.13Å; C427-C563 HydrophobicContact CB-CB 3.63Å; C427-C563 WeakPolarHBondContact CB-SG 3.47Å; C427-C563 WeakPolarHBondContact SG-CA 3.33Å; C427-C563 WeakPolarHBondContact SG-CB 3.21Å; C427-C563 PolarHBondContact SG-N 3.07Å; C427-C563 CovalentContact SG-SG 2.07Å; C427-C563 PolarHBondContact SG-SG 2.03Å; C427-W566 HydrophobicContact CB-CB 3.99Å; C427-W566 HydrophobicContact CB-CG 4.44Å; C427-N567 PolarHBondContact O-ND2 3.24Å; C427-N567 PolarHBondContact O-OD1 3.45Å
428	P	98.7	Very high	97.5	Very high	7 Å²	7	14.9 Å²	14.9	5%	0.045	7%	0.073	C	C	.	.	H	α-helix	trans	-55	-44	166.4	-27.9	35.5	0	0	0	112.7	V252 N254 D422 H423 H431 F432	V252-P428 HydrophobicContact CG2-CB 3.89Å; N254-P428 PolarHBondContact ND2-O 3.18Å; D422-P428 WeakPolarHBondContact O-CD 3.3Å; H423-P428 WeakPolarHBondContact O-CD 3.18Å; H423-P428 VanDerWaalsContact O-CG 3.25Å; H423-P428 WeakPolarHBondContact O-CG 3.12Å; P428-H431 WeakPolarHBondContact O-CB 3.33Å; P428-H431 PolarHBondContact O-N 3.11Å; P428-F432 PolarHBondContact O-N 3.37Å
429	L	98.8	Very high	97.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-67.2	-42	179	-174.4	148.8	0	0	0	112.2	V252 L345 G346 V347 V425 I426 C427 H431 F432 A433 L461	V252-L429 HydrophobicContact CG1-CB 3.95Å; V252-L429 HydrophobicContact CG1-CD1 3.93Å; V252-L429 HydrophobicContact CG1-CG 3.78Å; V252-L429 HydrophobicContact CG2-CB 4.1Å; L345-L429 HydrophobicContact CB-CD1 4.4Å; L345-L429 HydrophobicContact CD1-CD1 4.46Å; L345-L429 HydrophobicContact CD1-CD2 4.04Å; L345-L429 HydrophobicContact CD1-CG 3.97Å; L345-L429 HydrophobicContact CG-CD2 4.02Å; L345-L429 HydrophobicContact CG-CG 4.33Å; G346-L429 VanDerWaalsContact O-CD1 3.3Å; G346-L429 WeakPolarHBondContact O-CD1 3.38Å; V347-L429 HydrophobicContact CG1-CB 4.31Å; V347-L429 HydrophobicContact CG1-CD1 3.73Å; V347-L429 HydrophobicContact CG1-CD2 4.16Å; V347-L429 HydrophobicContact CG1-CG 4.27Å; V425-L429 VanDerWaalsContact O-CB 3.24Å; V425-L429 WeakPolarHBondContact O-CB 3.18Å; V425-L429 PolarHBondContact O-N 3.03Å; I426-L429 PolarHBondContact O-N 3.17Å; C427-L429 VanDerWaalsContact C-N 3.3Å; C427-L429 PolarHBondContact O-N 3.09Å; L429-H431 VanDerWaalsContact C-N 3.32Å; L429-H431 PolarHBondContact O-N 3.15Å; L429-F432 PolarHBondContact O-N 2.76Å; L429-A433 WeakPolarHBondContact O-CB 3.38Å; L429-A433 PolarHBondContact O-N 3.28Å; L429-L461 HydrophobicContact CD2-CD1 3.61Å
430	A	98.1	Very high	96.5	Very high	19 Å²	19	15.5 Å²	15.5	16%	0.157	7%	0.074	C	C	.	.	H	α-helix	trans	-62.2	-39.4	174.9	0	0	0	0	0	111.9	I426 C427 R434 C563	I426-A430 WeakPolarHBondContact O-CB 3.47Å; I426-A430 PolarHBondContact O-N 3.14Å; C427-A430 PolarHBondContact O-N 3.44Å; A430-R434 WeakPolarHBondContact O-CB 3.16Å; A430-R434 PolarHBondContact O-N 3.17Å; A430-R434 VanDerWaalsContact O-N 3.09Å; A430-C563 HydrophobicContact CB-CB 4.49Å
431	H	97.6	Very high	95.9	Very high	31 Å²	31	18.4 Å²	18.4	14%	0.144	9%	0.092	C	C	.	.	H	α-helix	trans	-61.8	-50.5	172	176.9	88.1	0	0	0	110.8	E330 C427 P428 L429 A433 R434 S435	E330-H431 IonicContact OE1-CE1 2.94Å; E330-H431 PolarHBondContact OE1-CE1 3.24Å; E330-H431 IonicContact OE1-NE2 2.87Å; E330-H431 PolarHBondContact OE1-NE2 3.23Å; E330-H431 IonicContact OE2-CD2 3.2Å; E330-H431 IonicContact OE2-NE2 3.94Å; C427-H431 PolarHBondContact O-N 3.06Å; P428-H431 WeakPolarHBondContact O-CB 3.33Å; P428-H431 PolarHBondContact O-N 3.11Å; L429-H431 VanDerWaalsContact C-N 3.32Å; L429-H431 PolarHBondContact O-N 3.15Å; H431-A433 PolarHBondContact O-N 3.41Å; H431-R434 PolarHBondContact O-N 2.98Å; H431-S435 PolarHBondContact CE1-OG 2.76Å; H431-S435 PolarHBondContact NE2-OG 3.44Å; H431-S435 WeakPolarHBondContact O-CB 3.4Å; H431-S435 PolarHBondContact O-N 3.17Å; H431-S435 PolarHBondContact O-OG 2.77Å
432	F	98.3	Very high	95.2	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-56.9	-50.7	179	-175.6	-97.1	0	0	0	111.8	L234 L248 V252 P253 I333 I343 L345 P428 L429 R434 S435 Y436	L234-F432 HydrophobicContact CD1-CZ 4.12Å; L248-F432 HydrophobicContact CD2-CE1 3.99Å; L248-F432 HydrophobicContact CD2-CZ 4.37Å; V252-F432 HydrophobicContact CB-CB 4.18Å; V252-F432 HydrophobicContact CB-CG 4.19Å; V252-F432 HydrophobicContact CG1-CB 4.11Å; V252-F432 HydrophobicContact CG1-CD1 3.98Å; V252-F432 HydrophobicContact CG1-CG 4.08Å; V252-F432 HydrophobicContact CG2-CB 4.32Å; P253-F432 HydrophobicContact CG-CD2 4.18Å; P253-F432 HydrophobicContact CG-CE2 3.82Å; I333-F432 HydrophobicContact CD1-CD2 3.62Å; I333-F432 HydrophobicContact CD1-CE2 4.12Å; I333-F432 HydrophobicContact CG1-CD2 3.87Å; I333-F432 HydrophobicContact CG1-CE2 4Å; I343-F432 HydrophobicContact CD1-CD1 4.42Å; I343-F432 HydrophobicContact CD1-CE1 3.89Å; L345-F432 HydrophobicContact CD1-CD1 3.81Å; L345-F432 HydrophobicContact CD1-CE1 4.37Å; P428-F432 PolarHBondContact O-N 3.37Å; L429-F432 PolarHBondContact O-N 2.76Å; F432-R434 VanDerWaalsContact C-N 3.33Å; F432-R434 PolarHBondContact O-N 3.16Å; F432-S435 PolarHBondContact O-N 3.43Å; F432-Y436 HydrophobicContact CE1-CD2 4.28Å; F432-Y436 HydrophobicContact CZ-CD2 4.04Å; F432-Y436 VanDerWaalsContact O-CB 3.22Å; F432-Y436 WeakPolarHBondContact O-CB 3.47Å; F432-Y436 PolarHBondContact O-N 3.17Å
433	A	97.6	Very high	94.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56.8	-45.7	178.8	0	0	0	0	0	111.9	L345 L429 H431 A437 V459 F537	L345-A433 HydrophobicContact CD1-CB 4.04Å; L345-A433 HydrophobicContact CD2-CB 4.36Å; L429-A433 WeakPolarHBondContact O-CB 3.38Å; L429-A433 PolarHBondContact O-N 3.28Å; H431-A433 PolarHBondContact O-N 3.41Å; A433-A437 WeakPolarHBondContact O-CB 3.19Å; A433-A437 PolarHBondContact O-N 2.96Å; A433-V459 HydrophobicContact CB-CG1 4.35Å; A433-F537 HydrophobicContact CB-CE1 4.05Å; A433-F537 HydrophobicContact CB-CZ 4.04Å; A433-F537 WeakPolarHBondContact O-CE1 3.24Å
434	R	96.3	Very high	93.4	Very high	89 Å²	89	25.9 Å²	25.9	34%	0.336	14%	0.135	S	C	.	.	H	α-helix	trans	-64.3	-52.4	179	-178.1	178	171.7	169.1	1	111.5	A430 H431 F432 Y436 A437 Q438 F537 A539	A430-R434 WeakPolarHBondContact O-CB 3.16Å; A430-R434 PolarHBondContact O-N 3.17Å; A430-R434 VanDerWaalsContact O-N 3.09Å; H431-R434 PolarHBondContact O-N 2.98Å; F432-R434 VanDerWaalsContact C-N 3.33Å; F432-R434 PolarHBondContact O-N 3.16Å; R434-Y436 VanDerWaalsContact C-N 3.32Å; R434-Y436 PolarHBondContact O-N 3.05Å; R434-A437 PolarHBondContact O-N 3.42Å; R434-Q438 HydrophobicContact CG-CG 4.45Å; R434-Q438 VanDerWaalsContact O-CG 3.28Å; R434-Q438 WeakPolarHBondContact O-CG 3.22Å; R434-Q438 PolarHBondContact O-N 2.76Å; R434-F537 HydrophobicContact CB-CZ 4.43Å; R434-A539 HydrophobicContact CG-CB 4.32Å
435	S	95.4	Very high	92.5	Very high	6 Å²	6	32 Å²	32	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-41.3	-178.8	-63.7	0	0	0	0	111.3	H431 F432 Q438 H439	H431-S435 PolarHBondContact CE1-OG 2.76Å; H431-S435 PolarHBondContact NE2-OG 3.44Å; H431-S435 WeakPolarHBondContact O-CB 3.4Å; H431-S435 PolarHBondContact O-N 3.17Å; H431-S435 PolarHBondContact O-OG 2.77Å; F432-S435 PolarHBondContact O-N 3.43Å; S435-Q438 PolarHBondContact O-N 3.45Å; S435-H439 PolarHBondContact O-CD2 3.2Å; S435-H439 VanDerWaalsContact O-CD2 3.25Å; S435-H439 PolarHBondContact O-N 2.75Å
436	Y	95	Very high	91.6	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-47.8	175.5	-159	-82.9	0	0	0	111.8	F338 K339 T341 I343 F432 R434 Q438 H439 H440 V459	F338-Y436 AromaticContact CD2-CD2 3.77Å; F338-Y436 HydrophobicContact CD2-CD2 3.77Å; F338-Y436 AromaticContact CD2-CE2 3.38Å; F338-Y436 HydrophobicContact CD2-CE2 3.38Å; F338-Y436 HydrophobicContact CE1-CD2 4.44Å; F338-Y436 AromaticContact CE2-CD2 3.44Å; F338-Y436 HydrophobicContact CE2-CD2 3.44Å; F338-Y436 VanDerWaalsContact CE2-CD2 3.44Å; F338-Y436 AromaticContact CE2-CE2 3.43Å; F338-Y436 HydrophobicContact CE2-CE2 3.43Å; F338-Y436 VanDerWaalsContact CE2-CE2 3.43Å; F338-Y436 HydrophobicContact CE2-CG 4.06Å; F338-Y436 HydrophobicContact CG-CD2 4.4Å; F338-Y436 HydrophobicContact CG-CE2 4.2Å; F338-Y436 AromaticContact CZ-CD2 3.81Å; F338-Y436 HydrophobicContact CZ-CD2 3.81Å; F338-Y436 HydrophobicContact CZ-CE2 4.25Å; F338-Y436 HydrophobicContact CZ-CG 4.27Å; K339-Y436 PolarHBondContact O-OH 3.21Å; T341-Y436 PolarHBondContact N-OH 3.22Å; T341-Y436 WeakPolarHBondContact O-CE1 3.46Å; T341-Y436 PolarHBondContact O-OH 3.42Å; I343-Y436 HydrophobicContact CD1-CD1 3.56Å; I343-Y436 HydrophobicContact CD1-CD2 4.08Å; I343-Y436 HydrophobicContact CD1-CE1 3.98Å; I343-Y436 HydrophobicContact CD1-CE2 4.46Å; I343-Y436 HydrophobicContact CD1-CG 3.61Å; I343-Y436 HydrophobicContact CG1-CD1 3.95Å; I343-Y436 HydrophobicContact CG1-CE1 4Å; I343-Y436 HydrophobicContact CG1-CG 4.49Å; I343-Y436 HydrophobicContact CG2-CE1 3.96Å; I343-Y436 HydrophobicContact CG2-CE2 4.3Å; F432-Y436 HydrophobicContact CE1-CD2 4.28Å; F432-Y436 HydrophobicContact CZ-CD2 4.04Å; F432-Y436 VanDerWaalsContact O-CB 3.22Å; F432-Y436 WeakPolarHBondContact O-CB 3.47Å; F432-Y436 PolarHBondContact O-N 3.17Å; R434-Y436 VanDerWaalsContact C-N 3.32Å; R434-Y436 PolarHBondContact O-N 3.05Å; Y436-Q438 PolarHBondContact O-N 3.2Å; Y436-H439 PolarHBondContact O-N 3.5Å; Y436-H440 VanDerWaalsContact O-CB 3.32Å; Y436-H440 WeakPolarHBondContact O-CB 3.39Å; Y436-H440 PolarHBondContact O-N 2.96Å; Y436-V459 HydrophobicContact CD1-CG2 3.84Å
437	A	94.1	Very high	90.1	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-64.8	-36.3	177.6	0	0	0	0	0	113.3	A433 R434 T441 V459 F537	A433-A437 WeakPolarHBondContact O-CB 3.19Å; A433-A437 PolarHBondContact O-N 2.96Å; R434-A437 PolarHBondContact O-N 3.42Å; A437-T441 WeakPolarHBondContact O-CB 3.05Å; A437-T441 PolarHBondContact O-N 2.84Å; A437-T441 VanDerWaalsContact O-N 3.08Å; A437-T441 PolarHBondContact O-OG1 3.26Å; A437-V459 HydrophobicContact CB-CG2 3.94Å; A437-F537 HydrophobicContact CB-CD1 3.89Å; A437-F537 HydrophobicContact CB-CE1 3.93Å
438	Q	93.1	Very high	88.4	Confident	72 Å²	72	47.1 Å²	47.1	34%	0.336	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-52.8	176.3	-75.6	178.1	-23	0	0	111.2	R434 S435 Y436 H440 T441 L442 A539	R434-Q438 HydrophobicContact CG-CG 4.45Å; R434-Q438 VanDerWaalsContact O-CG 3.28Å; R434-Q438 WeakPolarHBondContact O-CG 3.22Å; R434-Q438 PolarHBondContact O-N 2.76Å; S435-Q438 PolarHBondContact O-N 3.45Å; Y436-Q438 PolarHBondContact O-N 3.2Å; Q438-H440 VanDerWaalsContact C-N 3.32Å; Q438-H440 PolarHBondContact O-N 3Å; Q438-T441 PolarHBondContact O-N 3.48Å; Q438-L442 WeakPolarHBondContact O-CG 3.49Å; Q438-L442 PolarHBondContact O-N 3.3Å; Q438-A539 HydrophobicContact CB-CB 4.44Å; Q438-A539 HydrophobicContact CG-CB 3.25Å
439	H	90.6	Very high	86.5	Confident	34 Å²	34	49.3 Å²	49.3	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-37.3	179.7	-80.9	-63.9	0	0	0	112.7	I333 N334 G336 F338 S435 Y436 T441 L442 K443	I333-H439 PolarHBondContact O-CD2 2.84Å; I333-H439 VanDerWaalsContact O-CD2 3.3Å; I333-H439 PolarHBondContact O-NE2 3.17Å; N334-H439 PolarHBondContact O-CE1 3.2Å; N334-H439 VanDerWaalsContact O-CE1 3.26Å; N334-H439 PolarHBondContact O-NE2 2.9Å; G336-H439 PolarHBondContact N-CE1 2.67Å; G336-H439 PolarHBondContact N-NE2 3.29Å; F338-H439 HydrophobicContact CE2-CB 4.45Å; F338-H439 HydrophobicContact CZ-CB 3.73Å; S435-H439 PolarHBondContact O-CD2 3.2Å; S435-H439 VanDerWaalsContact O-CD2 3.25Å; S435-H439 PolarHBondContact O-N 2.75Å; Y436-H439 PolarHBondContact O-N 3.5Å; H439-T441 PolarHBondContact O-N 3.24Å; H439-L442 PolarHBondContact O-N 3.21Å; H439-K443 WeakPolarHBondContact O-CG 3.27Å; H439-K443 PolarHBondContact O-N 3.2Å
440	H	84.4	Confident	84	Confident	25 Å²	25	56.7 Å²	56.7	12%	0.116	31%	0.31	C	S	.	.	H	α-helix	trans	-58.5	-47.9	172.9	-175.2	68.5	0	0	0	111.6	D340 Y436 Q438 L442 K443 A444 M449 G457	D340-H440 IonicContact OD1-CE1 3.98Å; D340-H440 IonicContact OD1-CG 2.74Å; D340-H440 IonicContact OD1-ND1 3.89Å; D340-H440 PolarHBondContact OD1-ND1 3.2Å; D340-H440 IonicContact OD2-ND1 2.84Å; Y436-H440 VanDerWaalsContact O-CB 3.32Å; Y436-H440 WeakPolarHBondContact O-CB 3.39Å; Y436-H440 PolarHBondContact O-N 2.96Å; Q438-H440 VanDerWaalsContact C-N 3.32Å; Q438-H440 PolarHBondContact O-N 3Å; H440-L442 VanDerWaalsContact C-N 3.35Å; H440-L442 PolarHBondContact O-N 2.74Å; H440-K443 PolarHBondContact O-N 3.34Å; H440-A444 WeakPolarHBondContact O-CB 3.17Å; H440-A444 PolarHBondContact O-N 2.74Å; H440-M449 WeakPolarHBondContact CE1-CE 3.34Å; H440-M449 WeakPolarHBondContact ND1-CE 3.22Å; H440-M449 WeakPolarHBondContact NE2-CE 3.05Å; H440-M449 WeakPolarHBondContact O-CE 3.43Å; H440-G457 PolarHBondContact CD2-O 3.19Å; H440-G457 WeakPolarHBondContact CE1-CA 3.07Å; H440-G457 PolarHBondContact CE1-N 3.4Å; H440-G457 VanDerWaalsContact NE2-C 3.31Å; H440-G457 VanDerWaalsContact NE2-CA 3.35Å; H440-G457 WeakPolarHBondContact NE2-CA 3.41Å; H440-G457 PolarHBondContact NE2-N 3.25Å; H440-G457 PolarHBondContact NE2-O 3.19Å
441	T	85.2	Confident	81.2	Confident	62 Å²	62	62 Å²	62	38%	0.38	35%	0.347	S	S	.	.	H	α-helix	trans	-63.3	-40.2	177.5	-54.1	0	0	0	0	111.8	A437 Q438 H439 A444 N445	A437-T441 WeakPolarHBondContact O-CB 3.05Å; A437-T441 PolarHBondContact O-N 2.84Å; A437-T441 VanDerWaalsContact O-N 3.08Å; A437-T441 PolarHBondContact O-OG1 3.26Å; Q438-T441 PolarHBondContact O-N 3.48Å; H439-T441 PolarHBondContact O-N 3.24Å; T441-A444 WeakPolarHBondContact O-CB 3.48Å; T441-A444 PolarHBondContact O-N 2.76Å; T441-N445 VanDerWaalsContact O-CG 3.25Å; T441-N445 PolarHBondContact O-N 3.08Å; T441-N445 PolarHBondContact O-ND2 3.14Å
442	L	85.5	Confident	78.3	Confident	95 Å²	95	64 Å²	64	50%	0.497	38%	0.376	S	S	.	.	H	α-helix	trans	-63.1	-47.3	177	-73.3	168.1	0	0	0	111.7	Q438 H439 H440 A444 N445 L446	Q438-L442 WeakPolarHBondContact O-CG 3.49Å; Q438-L442 PolarHBondContact O-N 3.3Å; H439-L442 PolarHBondContact O-N 3.21Å; H440-L442 VanDerWaalsContact C-N 3.35Å; H440-L442 PolarHBondContact O-N 2.74Å; L442-A444 VanDerWaalsContact C-N 3.28Å; L442-A444 PolarHBondContact O-N 2.77Å; L442-N445 PolarHBondContact O-N 3.03Å; L442-L446 WeakPolarHBondContact O-CG 3.23Å; L442-L446 PolarHBondContact O-N 2.98Å
443	K	81	Confident	75.4	Confident	51 Å²	51	66.5 Å²	66.5	22%	0.222	40%	0.401	C	S	.	.	H	α-helix	trans	-61.9	-37	176.7	-72.4	176.1	-177.7	174	0	111.9	G336 D340 H439 H440 G447 M448 M449	G336-K443 PolarHBondContact O-NZ 3.2Å; D340-K443 HydrophobicContact CB-CD 4.37Å; D340-K443 WeakPolarHBondContact OD2-CD 3.19Å; H439-K443 WeakPolarHBondContact O-CG 3.27Å; H439-K443 PolarHBondContact O-N 3.2Å; H440-K443 PolarHBondContact O-N 3.34Å; K443-G447 PolarHBondContact O-N 3.36Å; K443-M448 PolarHBondContact O-N 3.07Å; K443-M448 VanDerWaalsContact O-N 3.12Å; K443-M449 HydrophobicContact CB-CE 4.31Å
444	A	77.6	Confident	72.5	Confident	43 Å²	43	75 Å²	75	36%	0.355	45%	0.447	S	S	.	.	H	α-helix	trans	-62.3	-49.4	175.4	0	0	0	0	0	111.2	H440 T441 L442 L446 G447 M449	H440-A444 WeakPolarHBondContact O-CB 3.17Å; H440-A444 PolarHBondContact O-N 2.74Å; T441-A444 WeakPolarHBondContact O-CB 3.48Å; T441-A444 PolarHBondContact O-N 2.76Å; L442-A444 VanDerWaalsContact C-N 3.28Å; L442-A444 PolarHBondContact O-N 2.77Å; A444-L446 VanDerWaalsContact C-N 3.3Å; A444-L446 PolarHBondContact O-N 3.15Å; A444-G447 PolarHBondContact O-N 2.97Å; A444-G447 VanDerWaalsContact O-N 3.15Å; A444-M449 HydrophobicContact CB-CE 3.48Å; A444-M449 VanDerWaalsContact CB-CE 3.48Å; A444-M449 HydrophobicContact CB-SD 3.77Å
445	N	79.2	Confident	70	Confident	129 Å²	129	73.7 Å²	73.7	69%	0.69	45%	0.451	S	S	*	.	H	α-helix	trans	-66.6	-30.7	-178	-70.8	-17.4	0	0	0	113.1	T441 L442 G447	T441-N445 VanDerWaalsContact O-CG 3.25Å; T441-N445 PolarHBondContact O-N 3.08Å; T441-N445 PolarHBondContact O-ND2 3.14Å; L442-N445 PolarHBondContact O-N 3.03Å; N445-G447 PolarHBondContact O-N 3.16Å
446	L	79.3	Confident	68	Low	122 Å²	122	81.8 Å²	81.8	64%	0.639	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	0.5	177.2	-68.2	171.9	0	0	0	113.5	L442 A444 M448	L442-L446 WeakPolarHBondContact O-CG 3.23Å; L442-L446 PolarHBondContact O-N 2.98Å; A444-L446 VanDerWaalsContact C-N 3.3Å; A444-L446 PolarHBondContact O-N 3.15Å; L446-M448 HydrophobicContact CB-CB 4.47Å; L446-M448 HydrophobicContact CB-CG 3.86Å; L446-M448 HydrophobicContact CB-SD 4.12Å; L446-M448 HydrophobicContact CD1-SD 4.19Å; L446-M448 PolarHBondContact O-N 3.15Å; L446-M448 VanDerWaalsContact O-N 3.15Å
447	G	66.9	Low	66.2	Low	64 Å²	64	82.2 Å²	82.2	66%	0.66	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	16.4	-175.9	0	0	0	0	0	113.5	K443 A444 N445 M449	K443-G447 PolarHBondContact O-N 3.36Å; A444-G447 PolarHBondContact O-N 2.97Å; A444-G447 VanDerWaalsContact O-N 3.15Å; N445-G447 PolarHBondContact O-N 3.16Å; G447-M449 PolarHBondContact O-N 3.16Å
448	M	63.2	Low	65.7	Low	136 Å²	136	82.3 Å²	82.3	67%	0.67	49%	0.494	S	S	*	.			trans	-86.4	10.3	-178.4	-65.7	-175.1	72.6	0	0	112.6	K443 L446	K443-M448 PolarHBondContact O-N 3.07Å; K443-M448 VanDerWaalsContact O-N 3.12Å; L446-M448 HydrophobicContact CB-CB 4.47Å; L446-M448 HydrophobicContact CB-CG 3.86Å; L446-M448 HydrophobicContact CB-SD 4.12Å; L446-M448 HydrophobicContact CD1-SD 4.19Å; L446-M448 PolarHBondContact O-N 3.15Å; L446-M448 VanDerWaalsContact O-N 3.15Å
449	M	59.7	Low	65.9	Low	53 Å²	53	79 Å²	79	26%	0.261	48%	0.479	S	S	.	.	S	Bend	trans	-80.6	119.4	171.5	-71.5	-169.7	170.4	0	0	109.7	H440 K443 A444 G447 S451	H440-M449 WeakPolarHBondContact CE1-CE 3.34Å; H440-M449 WeakPolarHBondContact ND1-CE 3.22Å; H440-M449 WeakPolarHBondContact NE2-CE 3.05Å; H440-M449 WeakPolarHBondContact O-CE 3.43Å; K443-M449 HydrophobicContact CB-CE 4.31Å; A444-M449 HydrophobicContact CB-CE 3.48Å; A444-M449 VanDerWaalsContact CB-CE 3.48Å; A444-M449 HydrophobicContact CB-SD 3.77Å; G447-M449 PolarHBondContact O-N 3.16Å; M449-S451 PolarHBondContact O-N 2.86Å
450	N	46.5	Very low	66.3	Low	154 Å²	154	78 Å²	78	82%	0.824	47%	0.474	S	S	*	.			trans	-53.5	116.5	171.8	-78.2	-26.4	0	0	0	109.4	G452	N450-G452 PolarHBondContact O-N 3.35Å
451	S	38.7	Very low	66.9	Low	132 Å²	132	76.9 Å²	76.9	92%	0.923	47%	0.469	S	S	*	.	S	Bend	trans	-70.9	26.3	-179.4	-41.2	0	0	0	0	113.7	M449	M449-S451 PolarHBondContact O-N 2.86Å
452	G	35.9	Very low	67.6	Low	73 Å²	73	74 Å²	74	75%	0.753	45%	0.451	S	S	*	.	S	Bend	trans	-120.3	69.6	-174	0	0	0	0	0	112.2	N450	N450-G452 PolarHBondContact O-N 3.35Å
453	G	38.1	Very low	68.2	Low	52 Å²	52	70.2 Å²	70.2	54%	0.536	43%	0.432	S	S	.	.	S	Bend	trans	141.3	140	171.5	0	0	0	0	0	112.3	S455	G453-S455 PolarHBondContact O-N 2.93Å; G453-S455 PolarHBondContact O-OG 3.1Å
454	N	36.9	Very low	69.1	Low	179 Å²	179	67.8 Å²	67.8	96%	0.957	42%	0.421	S	S	*	.	S	Bend	trans	-58.2	14.8	176.3	-90.4	-8.3	0	0	0	115.5	Q456	N454-Q456 VanDerWaalsContact C-N 3.31Å; N454-Q456 PolarHBondContact O-N 3.02Å
455	S	44.6	Very low	70.1	Confident	61 Å²	61	68.1 Å²	68.1	43%	0.427	42%	0.417	S	S	.	.			trans	-81.5	70.4	179.1	36.3	0	0	0	0	111	Q342 G453 G457	Q342-S455 VanDerWaalsContact NE2-C 3.35Å; G453-S455 PolarHBondContact O-N 2.93Å; G453-S455 PolarHBondContact O-OG 3.1Å; S455-G457 PolarHBondContact O-N 3.36Å; S455-G457 VanDerWaalsContact O-N 3.1Å
456	Q	52.1	Low	71	Confident	176 Å²	176	63.2 Å²	63.2	82%	0.822	39%	0.39	S	S	*	.			trans	-62	108	152.1	-68.6	-179.5	-4.4	0	0	105.8	Q342 N454	Q342-Q456 VanDerWaalsContact NE2-C 3.31Å; Q342-Q456 PolarHBondContact NE2-O 3.44Å; N454-Q456 VanDerWaalsContact C-N 3.31Å; N454-Q456 PolarHBondContact O-N 3.02Å
457	G	57.8	Low	71.9	Confident	10 Å²	10	59.5 Å²	59.5	10%	0.103	37%	0.367	C	S	.	.			trans	-58.1	150.2	177	0	0	0	0	0	110.3	H440 S455	H440-G457 PolarHBondContact CD2-O 3.19Å; H440-G457 WeakPolarHBondContact CE1-CA 3.07Å; H440-G457 PolarHBondContact CE1-N 3.4Å; H440-G457 VanDerWaalsContact NE2-C 3.31Å; H440-G457 VanDerWaalsContact NE2-CA 3.35Å; H440-G457 WeakPolarHBondContact NE2-CA 3.41Å; H440-G457 PolarHBondContact NE2-N 3.25Å; H440-G457 PolarHBondContact NE2-O 3.19Å; S455-G457 PolarHBondContact O-N 3.36Å; S455-G457 VanDerWaalsContact O-N 3.1Å
458	G	84.3	Confident	73.4	Confident	5 Å²	5	56.8 Å²	56.8	5%	0.052	34%	0.338	C	S	.	.			trans	-160	135.1	-169.6	0	0	0	0	0	109.2	Q342 I343	Q342-G458 WeakPolarHBondContact CA-O 3.44Å; I343-G458 PolarHBondContact N-O 2.76Å; I343-G458 VanDerWaalsContact O-O 3.14Å
459	V	96.4	Very high	75.1	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.024	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.4	174	-176.4	0	0	0	0	107	I343 L345 A433 Y436 A437 F537	I343-V459 HydrophobicContact CD1-CG1 4.18Å; I343-V459 HydrophobicContact CD1-CG2 4.09Å; I343-V459 HydrophobicContact CG1-CB 4.25Å; I343-V459 HydrophobicContact CG1-CG1 4.07Å; I343-V459 HydrophobicContact CG1-CG2 3.86Å; I343-V459 WeakPolarHBondContact O-CA 3.39Å; L345-V459 HydrophobicContact CD2-CG1 3.52Å; A433-V459 HydrophobicContact CB-CG1 4.35Å; Y436-V459 HydrophobicContact CD1-CG2 3.84Å; A437-V459 HydrophobicContact CB-CG2 3.94Å; V459-F537 HydrophobicContact CB-CB 3.99Å; V459-F537 HydrophobicContact CB-CD1 4.03Å; V459-F537 HydrophobicContact CB-CG 4.42Å; V459-F537 HydrophobicContact CG1-CB 3.89Å; V459-F537 HydrophobicContact CG1-CD1 3.76Å; V459-F537 HydrophobicContact CG1-CG 4.04Å; V459-F537 WeakPolarHBondContact O-CB 3.42Å; V459-F537 PolarHBondContact O-N 3.3Å
460	Y	98.1	Very high	76.8	Confident	11 Å²	11	54.2 Å²	54.2	4%	0.043	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.2	172.5	-67.1	-87.7	0	0	0	108.9	I343 L344 L345 F517 G521 N522 P523 W534 L536	I343-Y460 PolarHBondContact O-N 3.36Å; L344-Y460 CarbonylContact C-O 3.55Å; L344-Y460 WeakPolarHBondContact CA-O 3.4Å; L345-Y460 PolarHBondContact N-O 3.2Å; Y460-F517 HydrophobicContact CD2-CD2 4.17Å; Y460-F517 HydrophobicContact CD2-CE2 4.09Å; Y460-G521 WeakPolarHBondContact CE2-O 3.31Å; Y460-N522 PolarHBondContact OH-ND2 3.24Å; Y460-N522 PolarHBondContact OH-OD1 3.39Å; Y460-P523 HydrophobicContact CD1-CG 3.58Å; Y460-P523 HydrophobicContact CD2-CG 4.31Å; Y460-P523 VanDerWaalsContact CE1-CD 3.5Å; Y460-P523 HydrophobicContact CE1-CG 3.82Å; Y460-P523 HydrophobicContact CG-CG 3.84Å; Y460-P523 VanDerWaalsContact CZ-CD 3.44Å; Y460-W534 AromaticContact CD1-CD1 3.76Å; Y460-W534 HydrophobicContact CD1-CG 4.07Å; Y460-L536 HydrophobicContact CD2-CD2 4.38Å; Y460-L536 HydrophobicContact CE1-CD2 3.89Å; Y460-L536 HydrophobicContact CE1-CG 4.18Å; Y460-L536 HydrophobicContact CE2-CD2 3.67Å; Y460-L536 WeakPolarHBondContact OH-CD2 3.32Å
461	L	98.6	Very high	79.3	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.4	-175.7	-174.6	60.5	0	0	0	111.1	L345 L429 W534 F537 H544 V545 L558	L345-L461 HydrophobicContact CD2-CD1 4.36Å; L345-L461 HydrophobicContact CG-CD1 4.13Å; L345-L461 CarbonylContact O-C 3.53Å; L345-L461 VanDerWaalsContact O-CA 3.25Å; L345-L461 WeakPolarHBondContact O-CA 3.08Å; L345-L461 WeakPolarHBondContact O-CD1 3.47Å; L429-L461 HydrophobicContact CD2-CD1 3.61Å; L461-W534 PolarHBondContact O-NE1 2.88Å; L461-F537 HydrophobicContact CB-CB 4.28Å; L461-F537 HydrophobicContact CB-CD2 3.9Å; L461-F537 HydrophobicContact CB-CG 4.36Å; L461-F537 HydrophobicContact CD2-CD2 3.63Å; L461-F537 HydrophobicContact CD2-CE2 3.63Å; L461-F537 HydrophobicContact CG-CD2 4.43Å; L461-H544 HydrophobicContact CB-CB 3.82Å; L461-H544 HydrophobicContact CD2-CB 3.88Å; L461-H544 HydrophobicContact CG-CB 3.66Å; L461-H544 VanDerWaalsContact O-CA 3.26Å; L461-H544 WeakPolarHBondContact O-CA 3.31Å; L461-H544 WeakPolarHBondContact O-CB 3.42Å; L461-V545 PolarHBondContact O-N 3.27Å; L461-V545 VanDerWaalsContact O-N 3.11Å; L461-L558 HydrophobicContact CD1-CD2 4.41Å; L461-L558 HydrophobicContact CD2-CB 4.33Å; L461-L558 HydrophobicContact CD2-CD2 4.16Å; L461-L558 HydrophobicContact CG-CD2 4.48Å
462	Y	98.8	Very high	82	Confident	0 Å²	0	44 Å²	44	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	158.9	170	71.6	-92.4	0	0	0	113.3	Q249 L344 L345 G346 V347 F464 W514 W534 V545 L547	Q249-Y462 WeakPolarHBondContact CB-OH 3.34Å; Q249-Y462 VanDerWaalsContact CG-OH 3.32Å; Q249-Y462 WeakPolarHBondContact CG-OH 3.24Å; L344-Y462 HydrophobicContact CD2-CD1 3.79Å; L344-Y462 HydrophobicContact CD2-CE1 3.73Å; L345-Y462 VanDerWaalsContact O-CD1 3.28Å; L345-Y462 WeakPolarHBondContact O-CD1 3.4Å; L345-Y462 PolarHBondContact O-N 2.7Å; G346-Y462 WeakPolarHBondContact CA-O 3.32Å; V347-Y462 PolarHBondContact N-O 3.5Å; Y462-F464 HydrophobicContact CD2-CB 4.14Å; Y462-F464 HydrophobicContact CE2-CB 4.01Å; Y462-W514 HydrophobicContact CD1-CH2 4.01Å; Y462-W514 AromaticContact CE1-CH2 3.67Å; Y462-W514 HydrophobicContact CE1-CH2 3.67Å; Y462-W514 AromaticContact CE1-CZ2 3.76Å; Y462-W514 HydrophobicContact CE1-CZ2 3.76Å; Y462-W514 AromaticContact CZ-CH2 4Å; Y462-W534 AromaticContact CD1-CH2 3.89Å; Y462-W534 HydrophobicContact CD1-CH2 3.89Å; Y462-W534 HydrophobicContact CD1-CZ2 4.1Å; Y462-W534 HydrophobicContact CG-CH2 4.16Å; Y462-W534 HydrophobicContact CG-CZ2 4.31Å; Y462-V545 CarbonylContact C-O 3.54Å; Y462-V545 VanDerWaalsContact CA-O 3.29Å; Y462-V545 WeakPolarHBondContact CA-O 3.42Å; Y462-L547 HydrophobicContact CD1-CD1 4.29Å; Y462-L547 HydrophobicContact CD2-CD1 3.73Å; Y462-L547 HydrophobicContact CD2-CG 4.41Å; Y462-L547 HydrophobicContact CE2-CD1 4.45Å; Y462-L547 HydrophobicContact CG-CD1 3.65Å; Y462-L547 HydrophobicContact CG-CG 4.37Å
463	L	98.8	Very high	85	Confident	17 Å²	17	40.8 Å²	40.8	9%	0.089	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.5	160.6	170.5	63.6	0	0	0	107.1	V347 Q349 D465 V545 T546 L547 L558	V347-L463 HydrophobicContact CG2-CD1 3.92Å; V347-L463 CarbonylContact O-C 3.48Å; V347-L463 WeakPolarHBondContact O-CA 3.23Å; Q349-L463 HydrophobicContact CB-CD1 4.45Å; L463-D465 HydrophobicContact CG-CB 4.4Å; L463-V545 PolarHBondContact N-O 2.68Å; L463-T546 HydrophobicContact CD2-CG2 4.36Å; L463-T546 CarbonylContact O-C 3.57Å; L463-T546 VanDerWaalsContact O-CA 3.27Å; L463-T546 WeakPolarHBondContact O-CA 3.43Å; L463-L547 PolarHBondContact O-N 3.42Å; L463-L558 HydrophobicContact CB-CD1 4.28Å; L463-L558 HydrophobicContact CD1-CD1 4.41Å; L463-L558 HydrophobicContact CD2-CD1 4.22Å
464	F	98.9	Very high	87.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114.8	172.9	179.4	-96.7	0	0	0	108.7	V347 N348 Q349 Y462 H466 V479 E484 F487 L506 M510 L547	V347-F464 PolarHBondContact O-N 3.26Å; N348-F464 CarbonylContact C-O 3.55Å; N348-F464 WeakPolarHBondContact CA-O 3.37Å; N348-F464 WeakPolarHBondContact OD1-CB 3.23Å; Q349-F464 PolarHBondContact N-O 3.47Å; Y462-F464 HydrophobicContact CD2-CB 4.14Å; Y462-F464 HydrophobicContact CE2-CB 4.01Å; F464-H466 WeakPolarHBondContact CE1-O 3.3Å; F464-H466 HydrophobicContact CE2-CB 4.21Å; F464-H466 HydrophobicContact CZ-CB 4.05Å; F464-H466 VanDerWaalsContact CZ-O 3.31Å; F464-H466 WeakPolarHBondContact CZ-O 3.35Å; F464-V479 HydrophobicContact CD1-CG1 3.42Å; F464-V479 VanDerWaalsContact CD1-CG1 3.42Å; F464-V479 HydrophobicContact CE1-CG1 3.53Å; F464-E484 HydrophobicContact CB-CB 4.1Å; F464-E484 HydrophobicContact CD1-CB 3.48Å; F464-E484 VanDerWaalsContact CD1-CB 3.48Å; F464-E484 HydrophobicContact CD2-CB 3.84Å; F464-E484 HydrophobicContact CE1-CB 3.77Å; F464-E484 HydrophobicContact CE2-CB 4.1Å; F464-E484 HydrophobicContact CG-CB 3.53Å; F464-E484 HydrophobicContact CZ-CB 4.07Å; F464-F487 HydrophobicContact CE2-CD2 4.13Å; F464-F487 HydrophobicContact CE2-CG 4.28Å; F464-F487 AromaticContact CZ-CD2 3.68Å; F464-F487 HydrophobicContact CZ-CD2 3.68Å; F464-F487 AromaticContact CZ-CE2 3.84Å; F464-F487 HydrophobicContact CZ-CE2 3.84Å; F464-F487 HydrophobicContact CZ-CG 4.27Å; F464-L506 HydrophobicContact CE2-CD2 4.2Å; F464-M510 HydrophobicContact CD2-CE 3.99Å; F464-M510 HydrophobicContact CD2-SD 4.07Å; F464-M510 HydrophobicContact CE2-CE 4.11Å; F464-M510 HydrophobicContact CE2-SD 3.86Å; F464-L547 HydrophobicContact CD2-CB 4.05Å; F464-L547 VanDerWaalsContact CD2-O 3.22Å; F464-L547 WeakPolarHBondContact CD2-O 3.46Å
465	D	98.5	Very high	90.7	Very high	50 Å²	50	38 Å²	38	27%	0.267	21%	0.211	S	C	.	.			trans	-128.4	26.7	-171.2	64.5	-29.1	0	0	0	111.8	Q349 L463 N548	Q349-D465 HydrophobicContact CB-CB 4.27Å; L463-D465 HydrophobicContact CG-CB 4.4Å; D465-N548 VanDerWaalsContact OD1-CB 3.23Å; D465-N548 WeakPolarHBondContact OD1-CB 3.2Å; D465-N548 PolarHBondContact OD1-ND2 2.96Å; D465-N548 PolarHBondContact OD2-ND2 3.41Å
466	H	98.8	Very high	93.3	Very high	25 Å²	25	36.1 Å²	36.1	12%	0.116	20%	0.195	C	C	.	.			trans	-106.3	115.3	175.2	179.3	81.3	0	0	0	111.8	F464 F487 E503 L506 N548 T549	F464-H466 WeakPolarHBondContact CE1-O 3.3Å; F464-H466 HydrophobicContact CE2-CB 4.21Å; F464-H466 HydrophobicContact CZ-CB 4.05Å; F464-H466 VanDerWaalsContact CZ-O 3.31Å; F464-H466 WeakPolarHBondContact CZ-O 3.35Å; H466-F487 AromaticContact CD2-CZ 3.57Å; H466-F487 AromaticContact NE2-CZ 3.98Å; H466-E503 IonicContact CD2-OE1 3.76Å; H466-E503 IonicContact CE1-OE1 3.12Å; H466-E503 VanDerWaalsContact NE2-CG 3.32Å; H466-E503 WeakPolarHBondContact NE2-CG 3.45Å; H466-E503 IonicContact NE2-OE1 2.77Å; H466-E503 PolarHBondContact NE2-OE1 2.78Å; H466-L506 HydrophobicContact CB-CD2 3.88Å; H466-N548 HydrophobicContact CB-CB 3.78Å; H466-T549 VanDerWaalsContact CE1-CG2 3.48Å; H466-T549 WeakPolarHBondContact CE1-CG2 3.36Å
467	R	98.7	Very high	95.5	Very high	44 Å²	44	27.7 Å²	27.7	17%	0.166	16%	0.155	C	C	.	.			trans	-79.3	122.1	170.3	-177.1	173	166.8	83.3	5.7	109.6	L471 W473 P474 E475 G478 V479	R467-L471 HydrophobicContact CG-CD2 3.93Å; R467-L471 VanDerWaalsContact NH1-CD2 3.34Å; R467-W473 PolarHBondContact NH2-O 3.04Å; R467-P474 PolarHBondContact NH1-O 2.99Å; R467-P474 PolarHBondContact NH2-O 3.46Å; R467-E475 IonicContact CZ-OE1 3.05Å; R467-E475 IonicContact CZ-OE2 3.61Å; R467-E475 VanDerWaalsContact NE-CD 3.3Å; R467-E475 IonicContact NE-OE1 2.85Å; R467-E475 PolarHBondContact NE-OE1 2.72Å; R467-E475 VanDerWaalsContact NE-OE1 3.09Å; R467-E475 IonicContact NE-OE2 3.56Å; R467-E475 PolarHBondContact NE-OE2 3.42Å; R467-E475 VanDerWaalsContact NH2-CD 3.34Å; R467-E475 IonicContact NH2-OE1 3.26Å; R467-E475 PolarHBondContact NH2-OE1 2.87Å; R467-E475 IonicContact NH2-OE2 3.44Å; R467-G478 PolarHBondContact NH1-O 3.45Å; R467-V479 HydrophobicContact CB-CG2 4.12Å
468	A	98.5	Very high	97.4	Very high	7 Å²	7	27.9 Å²	27.9	6%	0.058	16%	0.157	C	C	.	.			trans	-61.4	137.2	179.2	0	0	0	0	0	111.7	N470 L471 E486 F487 Y499 E503	A468-N470 PolarHBondContact O-N 3.21Å; A468-L471 HydrophobicContact CB-CB 4.24Å; A468-L471 VanDerWaalsContact O-CB 3.23Å; A468-L471 WeakPolarHBondContact O-CB 3.25Å; A468-L471 PolarHBondContact O-N 3.08Å; A468-L471 VanDerWaalsContact O-N 3.17Å; A468-E486 WeakPolarHBondContact CB-OE1 3.5Å; A468-F487 HydrophobicContact CB-CE2 4.23Å; A468-F487 HydrophobicContact CB-CZ 4.3Å; A468-Y499 HydrophobicContact CB-CE1 4.25Å; A468-E503 WeakPolarHBondContact CA-OE1 3.41Å
469	S	98.2	Very high	98.1	Very high	73 Å²	73	28.1 Å²	28.1	51%	0.51	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-21.5	-175.6	64	0	0	0	0	114	E503	S469-E503 WeakPolarHBondContact CB-OE1 3.18Å; S469-E503 PolarHBondContact N-OE1 2.98Å; S469-E503 PolarHBondContact OG-OE1 3.41Å; S469-E503 PolarHBondContact OG-OE2 3.33Å
470	N	96.8	Very high	98.2	Very high	62 Å²	62	28 Å²	28	33%	0.332	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	13.3	179.9	64	-8.8	0	0	0	112.4	A468 A472 L497 Y499	A468-N470 PolarHBondContact O-N 3.21Å; N470-A472 PolarHBondContact O-N 2.64Å; N470-L497 PolarHBondContact ND2-O 3.21Å; N470-Y499 WeakPolarHBondContact ND2-CE2 3.41Å; N470-Y499 WeakPolarHBondContact OD1-CE1 3.24Å
471	L	97.2	Very high	98.3	Very high	22 Å²	22	28.2 Å²	28.2	12%	0.115	16%	0.158	C	C	.	.			trans	-62	125.4	-179	-172.2	55.4	0	0	0	110.6	R467 A468 W473 I480 Y483	R467-L471 HydrophobicContact CG-CD2 3.93Å; R467-L471 VanDerWaalsContact NH1-CD2 3.34Å; A468-L471 HydrophobicContact CB-CB 4.24Å; A468-L471 VanDerWaalsContact O-CB 3.23Å; A468-L471 WeakPolarHBondContact O-CB 3.25Å; A468-L471 PolarHBondContact O-N 3.08Å; A468-L471 VanDerWaalsContact O-N 3.17Å; L471-W473 VanDerWaalsContact C-N 3.3Å; L471-W473 HydrophobicContact CG-CB 4.24Å; L471-W473 PolarHBondContact O-N 3.12Å; L471-I480 HydrophobicContact CD1-CD1 4.5Å; L471-I480 HydrophobicContact CD2-CD1 3.94Å; L471-I480 HydrophobicContact CD2-CG1 4.44Å; L471-I480 HydrophobicContact CG-CD1 4.48Å; L471-Y483 HydrophobicContact CD1-CD1 3.29Å; L471-Y483 HydrophobicContact CD1-CE1 3.1Å; L471-Y483 HydrophobicContact CD1-CE2 4.36Å; L471-Y483 HydrophobicContact CD1-CG 4.04Å
472	A	96.1	Very high	98.2	Very high	51 Å²	51	28.2 Å²	28.2	42%	0.421	16%	0.159	S	C	.	.			trans	-78.4	-14.8	-174.3	0	0	0	0	0	113.9	F101 N470	F101-A472 HydrophobicContact CE2-CB 3.65Å; F101-A472 WeakPolarHBondContact CE2-O 3.36Å; F101-A472 HydrophobicContact CZ-CB 3.78Å; F101-A472 WeakPolarHBondContact CZ-O 3.39Å; N470-A472 PolarHBondContact O-N 2.64Å
473	W	98.1	Very high	98.2	Very high	5 Å²	5	28.8 Å²	28.8	2%	0.019	16%	0.161	C	C	.	.	S	Bend	trans	-79.4	153.1	-178.9	-70.5	112.2	0	0	0	112.2	Y98 F101 G103 T104 Y354 L357 Y358 K365 R467 L471 M477 I480 Y483	Y98-W473 HydrophobicContact CD2-CH2 4.42Å; Y98-W473 HydrophobicContact CE2-CZ3 4.49Å; F101-W473 HydrophobicContact CD1-CH2 4.21Å; F101-W473 HydrophobicContact CD1-CZ2 4.48Å; F101-W473 HydrophobicContact CD1-CZ3 4.27Å; F101-W473 AromaticContact CE1-CD2 3.71Å; F101-W473 HydrophobicContact CE1-CD2 3.71Å; F101-W473 AromaticContact CE1-CE2 3.73Å; F101-W473 AromaticContact CE1-CE3 3.54Å; F101-W473 HydrophobicContact CE1-CE3 3.54Å; F101-W473 AromaticContact CE1-CH2 3.59Å; F101-W473 HydrophobicContact CE1-CH2 3.59Å; F101-W473 AromaticContact CE1-CZ2 3.72Å; F101-W473 HydrophobicContact CE1-CZ2 3.72Å; F101-W473 AromaticContact CE1-CZ3 3.44Å; F101-W473 HydrophobicContact CE1-CZ3 3.44Å; F101-W473 VanDerWaalsContact CE1-CZ3 3.44Å; F101-W473 AromaticContact CZ-CD2 3.9Å; F101-W473 HydrophobicContact CZ-CD2 3.9Å; F101-W473 AromaticContact CZ-CE3 3.82Å; F101-W473 HydrophobicContact CZ-CE3 3.82Å; F101-W473 HydrophobicContact CZ-CG 4.39Å; F101-W473 HydrophobicContact CZ-CZ3 4.17Å; G103-W473 WeakPolarHBondContact O-CZ2 3.3Å; G103-W473 PolarHBondContact O-NE1 3.07Å; T104-W473 HydrophobicContact CG2-CH2 3.4Å; T104-W473 VanDerWaalsContact CG2-CH2 3.4Å; T104-W473 HydrophobicContact CG2-CZ2 3.68Å; Y354-W473 HydrophobicContact CD2-CZ2 4.46Å; Y354-W473 HydrophobicContact CE2-CZ2 4.16Å; L357-W473 HydrophobicContact CD2-CE3 3.91Å; L357-W473 HydrophobicContact CD2-CH2 3.63Å; L357-W473 HydrophobicContact CD2-CZ3 3.16Å; Y358-W473 HydrophobicContact CE2-CH2 4.33Å; K365-W473 HydrophobicContact CD-CZ3 4.19Å; K365-W473 HydrophobicContact CG-CE3 4.39Å; K365-W473 HydrophobicContact CG-CZ3 4.3Å; R467-W473 PolarHBondContact NH2-O 3.04Å; L471-W473 VanDerWaalsContact C-N 3.3Å; L471-W473 HydrophobicContact CG-CB 4.24Å; L471-W473 PolarHBondContact O-N 3.12Å; W473-M477 HydrophobicContact CB-SD 3.84Å; W473-M477 HydrophobicContact CD2-CE 4.11Å; W473-M477 HydrophobicContact CD2-SD 3.86Å; W473-M477 HydrophobicContact CE3-CE 4.11Å; W473-M477 HydrophobicContact CE3-SD 3.57Å; W473-M477 VanDerWaalsContact CE3-SD 3.57Å; W473-M477 HydrophobicContact CG-CE 4.42Å; W473-M477 HydrophobicContact CG-SD 4.04Å; W473-M477 HydrophobicContact CZ3-SD 4.34Å; W473-I480 HydrophobicContact CB-CD1 3.41Å; W473-I480 VanDerWaalsContact CB-CD1 3.41Å; W473-I480 HydrophobicContact CD2-CD1 4.43Å; W473-I480 HydrophobicContact CG-CD1 3.47Å; W473-I480 VanDerWaalsContact CG-CD1 3.47Å; W473-Y483 AromaticContact CD1-CE2 3.86Å; W473-Y483 AromaticContact CD1-CZ 3.55Å; W473-Y483 AromaticContact NE1-CE2 3.75Å; W473-Y483 AromaticContact NE1-CZ 3.48Å; W473-Y483 PolarHBondContact NE1-OH 3.49Å
474	P	98	Very high	98.2	Very high	27 Å²	27	28 Å²	28	18%	0.175	16%	0.157	C	C	.	.			trans	-61.4	155.6	178.9	28	-37	0	0	0	112.6	K365 R467 W476 M477	K365-P474 WeakPolarHBondContact O-CG 3.43Å; R467-P474 PolarHBondContact NH1-O 2.99Å; R467-P474 PolarHBondContact NH2-O 3.46Å; P474-W476 HydrophobicContact CG-CG 4.45Å; P474-W476 VanDerWaalsContact CG-NE1 3.26Å; P474-W476 PolarHBondContact O-N 3Å; P474-M477 HydrophobicContact CG-CG 3.97Å; P474-M477 HydrophobicContact CG-SD 3.83Å; P474-M477 PolarHBondContact O-N 2.98Å; P474-M477 VanDerWaalsContact O-N 3.15Å
475	E	98.2	Very high	98.2	Very high	146 Å²	146	28 Å²	28	68%	0.682	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-59	-33.3	-176.2	-70.5	-58.4	126.1	0	0	113.5	R467 M477 G478	R467-E475 IonicContact CZ-OE1 3.05Å; R467-E475 IonicContact CZ-OE2 3.61Å; R467-E475 VanDerWaalsContact NE-CD 3.3Å; R467-E475 IonicContact NE-OE1 2.85Å; R467-E475 PolarHBondContact NE-OE1 2.72Å; R467-E475 VanDerWaalsContact NE-OE1 3.09Å; R467-E475 IonicContact NE-OE2 3.56Å; R467-E475 PolarHBondContact NE-OE2 3.42Å; R467-E475 VanDerWaalsContact NH2-CD 3.34Å; R467-E475 IonicContact NH2-OE1 3.26Å; R467-E475 PolarHBondContact NH2-OE1 2.87Å; R467-E475 IonicContact NH2-OE2 3.44Å; E475-M477 PolarHBondContact O-N 3.41Å; E475-M477 VanDerWaalsContact O-N 3.11Å; E475-G478 PolarHBondContact O-N 3.46Å
476	W	98.3	Very high	98.3	Very high	20 Å²	20	26 Å²	26	8%	0.076	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-61.2	-23.3	-179.5	74.6	-104.9	0	0	0	113.2	L357 F363 S364 N367 S369 R413 P474 G478	L357-W476 HydrophobicContact CB-CH2 4.1Å; L357-W476 HydrophobicContact CB-CZ2 4.31Å; L357-W476 HydrophobicContact CD1-CZ2 4.21Å; F363-W476 HydrophobicContact CB-CH2 4.48Å; F363-W476 HydrophobicContact CD1-CE3 4.29Å; F363-W476 AromaticContact CD1-CH2 3.44Å; F363-W476 HydrophobicContact CD1-CH2 3.44Å; F363-W476 VanDerWaalsContact CD1-CH2 3.44Å; F363-W476 HydrophobicContact CD1-CZ2 4Å; F363-W476 AromaticContact CD1-CZ3 3.59Å; F363-W476 HydrophobicContact CD1-CZ3 3.59Å; F363-W476 HydrophobicContact CE1-CE3 4.37Å; F363-W476 HydrophobicContact CE1-CH2 4.15Å; F363-W476 AromaticContact CE1-CZ3 3.81Å; F363-W476 HydrophobicContact CE1-CZ3 3.81Å; F363-W476 HydrophobicContact CG-CH2 4.4Å; S364-W476 PolarHBondContact O-NE1 3.13Å; N367-W476 PolarHBondContact O-NE1 3.2Å; S369-W476 PolarHBondContact OG-NE1 3.08Å; R413-W476 HydrophobicContact CG-CE3 4.42Å; R413-W476 VanDerWaalsContact NH1-CB 3.29Å; P474-W476 HydrophobicContact CG-CG 4.45Å; P474-W476 VanDerWaalsContact CG-NE1 3.26Å; P474-W476 PolarHBondContact O-N 3Å; W476-G478 VanDerWaalsContact C-N 3.26Å; W476-G478 PolarHBondContact O-N 3.09Å
477	M	98.6	Very high	98.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-78.3	-9	179.6	-65.4	-179.1	74.8	0	0	113.6	S353 L357 W473 P474 E475 V479 I480	S353-M477 WeakPolarHBondContact CB-O 3.24Å; S353-M477 PolarHBondContact OG-O 3.13Å; L357-M477 HydrophobicContact CB-CE 4.35Å; L357-M477 HydrophobicContact CD2-CE 3.99Å; L357-M477 HydrophobicContact CD2-SD 4.11Å; W473-M477 HydrophobicContact CB-SD 3.84Å; W473-M477 HydrophobicContact CD2-CE 4.11Å; W473-M477 HydrophobicContact CD2-SD 3.86Å; W473-M477 HydrophobicContact CE3-CE 4.11Å; W473-M477 HydrophobicContact CE3-SD 3.57Å; W473-M477 VanDerWaalsContact CE3-SD 3.57Å; W473-M477 HydrophobicContact CG-CE 4.42Å; W473-M477 HydrophobicContact CG-SD 4.04Å; W473-M477 HydrophobicContact CZ3-SD 4.34Å; P474-M477 HydrophobicContact CG-CG 3.97Å; P474-M477 HydrophobicContact CG-SD 3.83Å; P474-M477 PolarHBondContact O-N 2.98Å; P474-M477 VanDerWaalsContact O-N 3.15Å; E475-M477 PolarHBondContact O-N 3.41Å; E475-M477 VanDerWaalsContact O-N 3.11Å; M477-V479 PolarHBondContact O-N 2.7Å; M477-I480 HydrophobicContact CB-CD1 3.72Å; M477-I480 HydrophobicContact CB-CG1 3.77Å; M477-I480 HydrophobicContact CE-CD1 3.97Å; M477-I480 HydrophobicContact CE-CG1 4.43Å; M477-I480 HydrophobicContact CE-CG2 4.45Å; M477-I480 VanDerWaalsContact O-CG1 3.3Å; M477-I480 WeakPolarHBondContact O-CG1 3.34Å; M477-I480 HydrophobicContact SD-CD1 4.28Å
478	G	98.6	Very high	98.3	Very high	14 Å²	14	22.7 Å²	22.7	14%	0.144	13%	0.133	C	C	.	.			trans	60.8	-131.5	172.7	0	0	0	0	0	114.2	D350 R467 E475 W476	D350-G478 WeakPolarHBondContact OD2-CA 3.29Å; R467-G478 PolarHBondContact NH1-O 3.45Å; E475-G478 PolarHBondContact O-N 3.46Å; W476-G478 VanDerWaalsContact C-N 3.26Å; W476-G478 PolarHBondContact O-N 3.09Å
479	V	98.7	Very high	98.3	Very high	10 Å²	10	22.3 Å²	22.3	6%	0.061	13%	0.13	C	C	.	.	S	Bend	trans	-101.6	87.2	179.1	-168.4	0	0	0	0	109.4	N348 Q349 D350 F464 R467 M477	N348-V479 HydrophobicContact CB-CG1 4.41Å; Q349-V479 HydrophobicContact CB-CB 4.02Å; Q349-V479 HydrophobicContact CB-CG2 4.18Å; D350-V479 PolarHBondContact N-O 2.82Å; D350-V479 VanDerWaalsContact N-O 3.12Å; D350-V479 PolarHBondContact OD2-N 2.78Å; F464-V479 HydrophobicContact CD1-CG1 3.42Å; F464-V479 VanDerWaalsContact CD1-CG1 3.42Å; F464-V479 HydrophobicContact CE1-CG1 3.53Å; R467-V479 HydrophobicContact CB-CG2 4.12Å; M477-V479 PolarHBondContact O-N 2.7Å
480	I	98.3	Very high	98.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-69.9	150.8	-164.3	-53.9	168.4	0	0	0	112	N348 Y354 L471 W473 M477 G482 Y483	N348-I480 PolarHBondContact ND2-O 3.34Å; Y354-I480 HydrophobicContact CD2-CG2 4.43Å; L471-I480 HydrophobicContact CD1-CD1 4.5Å; L471-I480 HydrophobicContact CD2-CD1 3.94Å; L471-I480 HydrophobicContact CD2-CG1 4.44Å; L471-I480 HydrophobicContact CG-CD1 4.48Å; W473-I480 HydrophobicContact CB-CD1 3.41Å; W473-I480 VanDerWaalsContact CB-CD1 3.41Å; W473-I480 HydrophobicContact CD2-CD1 4.43Å; W473-I480 HydrophobicContact CG-CD1 3.47Å; W473-I480 VanDerWaalsContact CG-CD1 3.47Å; M477-I480 HydrophobicContact CB-CD1 3.72Å; M477-I480 HydrophobicContact CB-CG1 3.77Å; M477-I480 HydrophobicContact CE-CD1 3.97Å; M477-I480 HydrophobicContact CE-CG1 4.43Å; M477-I480 HydrophobicContact CE-CG2 4.45Å; M477-I480 VanDerWaalsContact O-CG1 3.3Å; M477-I480 WeakPolarHBondContact O-CG1 3.34Å; M477-I480 HydrophobicContact SD-CD1 4.28Å; I480-G482 PolarHBondContact O-N 2.93Å; I480-Y483 HydrophobicContact CB-CD2 3.5Å; I480-Y483 HydrophobicContact CB-CE2 3.99Å; I480-Y483 HydrophobicContact CB-CG 4.31Å; I480-Y483 HydrophobicContact CD1-CD2 4.42Å; I480-Y483 HydrophobicContact CD1-CE2 4.24Å; I480-Y483 HydrophobicContact CG1-CD2 4.49Å; I480-Y483 HydrophobicContact CG2-CD2 3.77Å; I480-Y483 HydrophobicContact CG2-CE2 3.89Å; I480-Y483 PolarHBondContact O-N 3.21Å
481	H	98.8	Very high	98.3	Very high	17 Å²	17	16.8 Å²	16.8	8%	0.079	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.6	127.6	166.2	-166.5	70	0	0	0	112.6	E223 S224 E351 F355 Y483	E223-H481 IonicContact OE1-CD2 2.78Å; E223-H481 IonicContact OE1-CE1 3.34Å; E223-H481 PolarHBondContact OE1-CE1 3.38Å; E223-H481 VanDerWaalsContact OE1-CE1 3.3Å; E223-H481 IonicContact OE1-CG 3.44Å; E223-H481 IonicContact OE1-ND1 3.63Å; E223-H481 IonicContact OE1-NE2 3.36Å; E223-H481 PolarHBondContact OE1-NE2 2.96Å; S224-H481 WeakPolarHBondContact CB-NE2 3.21Å; S224-H481 PolarHBondContact OG-NE2 3.43Å; E351-H481 IonicContact OE2-CE1 3.34Å; E351-H481 IonicContact OE2-CG 2.81Å; E351-H481 IonicContact OE2-ND1 3.57Å; E351-H481 PolarHBondContact OE2-ND1 3.15Å; F355-H481 HydrophobicContact CE2-CB 4.36Å; F355-H481 AromaticContact CE2-CD2 3.89Å; F355-H481 AromaticContact CZ-CD2 3.91Å; H481-Y483 VanDerWaalsContact C-N 3.33Å; H481-Y483 PolarHBondContact O-N 3.44Å
482	G	98.4	Very high	98.4	Very high	3 Å²	3	15.8 Å²	15.8	3%	0.031	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	-7	177.9	0	0	0	0	0	117.1	E223 N348 I480 E484 I485	E223-G482 PolarHBondContact OE1-N 3.18Å; N348-G482 PolarHBondContact ND2-N 3.29Å; I480-G482 PolarHBondContact O-N 2.93Å; G482-E484 VanDerWaalsContact C-N 3.3Å; G482-E484 WeakPolarHBondContact CA-OE2 3.38Å; G482-E484 PolarHBondContact O-N 2.52Å; G482-I485 WeakPolarHBondContact O-CB 3.41Å; G482-I485 WeakPolarHBondContact O-CD1 3.35Å; G482-I485 WeakPolarHBondContact O-CG1 3.44Å; G482-I485 PolarHBondContact O-N 3.03Å
483	Y	98.7	Very high	98.4	Very high	11 Å²	11	14.4 Å²	14.4	4%	0.043	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-3.1	-177.4	-82.8	-90.7	0	0	0	114.8	G103 M106 W107 L471 W473 I480 H481 I485 E486	G103-Y483 PolarHBondContact O-OH 3.14Å; M106-Y483 HydrophobicContact SD-CE1 4.14Å; M106-Y483 PolarHBondContact SD-OH 2.75Å; W107-Y483 HydrophobicContact CZ2-CD2 4.49Å; W107-Y483 HydrophobicContact CZ2-CE2 4.15Å; L471-Y483 HydrophobicContact CD1-CD1 3.29Å; L471-Y483 HydrophobicContact CD1-CE1 3.1Å; L471-Y483 HydrophobicContact CD1-CE2 4.36Å; L471-Y483 HydrophobicContact CD1-CG 4.04Å; W473-Y483 AromaticContact CD1-CE2 3.86Å; W473-Y483 AromaticContact CD1-CZ 3.55Å; W473-Y483 AromaticContact NE1-CE2 3.75Å; W473-Y483 AromaticContact NE1-CZ 3.48Å; W473-Y483 PolarHBondContact NE1-OH 3.49Å; I480-Y483 HydrophobicContact CB-CD2 3.5Å; I480-Y483 HydrophobicContact CB-CE2 3.99Å; I480-Y483 HydrophobicContact CB-CG 4.31Å; I480-Y483 HydrophobicContact CD1-CD2 4.42Å; I480-Y483 HydrophobicContact CD1-CE2 4.24Å; I480-Y483 HydrophobicContact CG1-CD2 4.49Å; I480-Y483 HydrophobicContact CG2-CD2 3.77Å; I480-Y483 HydrophobicContact CG2-CE2 3.89Å; I480-Y483 PolarHBondContact O-N 3.21Å; H481-Y483 VanDerWaalsContact C-N 3.33Å; H481-Y483 PolarHBondContact O-N 3.44Å; Y483-I485 VanDerWaalsContact C-N 3.29Å; Y483-E486 WeakPolarHBondContact O-CG 3.34Å
484	E	98.9	Very high	98.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.2	167.5	87	-64.9	172.4	0	0	112	E223 Q249 N348 F464 G482 E486 F487 V488 M510	E223-E484 VanDerWaalsContact CG-OE1 3.28Å; E223-E484 WeakPolarHBondContact CG-OE1 3.35Å; Q249-E484 WeakPolarHBondContact CB-OE1 3.21Å; Q249-E484 PolarHBondContact NE2-OE1 2.91Å; N348-E484 PolarHBondContact ND2-OE2 3.39Å; N348-E484 PolarHBondContact OD1-OE2 3.28Å; F464-E484 HydrophobicContact CB-CB 4.1Å; F464-E484 HydrophobicContact CD1-CB 3.48Å; F464-E484 VanDerWaalsContact CD1-CB 3.48Å; F464-E484 HydrophobicContact CD2-CB 3.84Å; F464-E484 HydrophobicContact CE1-CB 3.77Å; F464-E484 HydrophobicContact CE2-CB 4.1Å; F464-E484 HydrophobicContact CG-CB 3.53Å; F464-E484 HydrophobicContact CZ-CB 4.07Å; G482-E484 VanDerWaalsContact C-N 3.3Å; G482-E484 WeakPolarHBondContact CA-OE2 3.38Å; G482-E484 PolarHBondContact O-N 2.52Å; E484-E486 VanDerWaalsContact C-N 3.35Å; E484-E486 PolarHBondContact O-N 3.42Å; E484-F487 WeakPolarHBondContact O-CB 3.33Å; E484-F487 PolarHBondContact O-N 2.77Å; E484-F487 VanDerWaalsContact O-N 3.11Å; E484-V488 PolarHBondContact O-N 2.91Å; E484-V488 VanDerWaalsContact O-N 3.11Å; E484-M510 HydrophobicContact CB-CE 4.32Å
485	I	98.9	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.2	-42.6	-176	-57.1	170.6	0	0	0	111.4	W107 W138 V153 Y154 E223 G482 Y483 F487 V488 F489	W107-I485 HydrophobicContact CH2-CD1 4.15Å; W107-I485 HydrophobicContact CZ3-CD1 4.21Å; W138-I485 HydrophobicContact CH2-CD1 4.1Å; W138-I485 HydrophobicContact CH2-CG1 4.18Å; W138-I485 HydrophobicContact CH2-CG2 4.1Å; W138-I485 HydrophobicContact CZ2-CD1 4.18Å; W138-I485 HydrophobicContact CZ2-CG2 4.19Å; V153-I485 HydrophobicContact CG2-CB 4.26Å; V153-I485 HydrophobicContact CG2-CG2 4.06Å; Y154-I485 HydrophobicContact CD1-CG2 3.83Å; Y154-I485 HydrophobicContact CE1-CD1 3.96Å; Y154-I485 HydrophobicContact CE1-CG2 3.8Å; E223-I485 HydrophobicContact CB-CD1 3.72Å; E223-I485 HydrophobicContact CB-CG1 4.01Å; E223-I485 HydrophobicContact CG-CD1 3.67Å; E223-I485 HydrophobicContact CG-CG1 3.86Å; G482-I485 WeakPolarHBondContact O-CB 3.41Å; G482-I485 WeakPolarHBondContact O-CD1 3.35Å; G482-I485 WeakPolarHBondContact O-CG1 3.44Å; G482-I485 PolarHBondContact O-N 3.03Å; Y483-I485 VanDerWaalsContact C-N 3.29Å; I485-F487 PolarHBondContact O-N 2.94Å; I485-V488 WeakPolarHBondContact O-CB 3.44Å; I485-V488 PolarHBondContact O-N 3.18Å; I485-F489 HydrophobicContact CG2-CD2 3.46Å; I485-F489 VanDerWaalsContact CG2-CD2 3.46Å; I485-F489 HydrophobicContact CG2-CE2 3.72Å; I485-F489 WeakPolarHBondContact O-CD2 3.43Å; I485-F489 PolarHBondContact O-N 3.43Å
486	E	98.7	Very high	97.6	Very high	8 Å²	8	24.2 Å²	24.2	4%	0.037	11%	0.107	C	C	.	.	H	α-helix	trans	-58.1	-32.4	178.5	65.3	-166	-148	0	0	112.3	V153 A468 Y483 E484 G490 L491 P492 Y499	V153-E486 HydrophobicContact CG2-CB 3.95Å; A468-E486 WeakPolarHBondContact CB-OE1 3.5Å; Y483-E486 WeakPolarHBondContact O-CG 3.34Å; E484-E486 VanDerWaalsContact C-N 3.35Å; E484-E486 PolarHBondContact O-N 3.42Å; E486-G490 PolarHBondContact O-N 3.23Å; E486-L491 HydrophobicContact CB-CB 4.1Å; E486-L491 HydrophobicContact CB-CD1 3.84Å; E486-L491 HydrophobicContact CB-CG 4.25Å; E486-L491 PolarHBondContact O-N 3.02Å; E486-P492 WeakPolarHBondContact O-CD 3.47Å; E486-Y499 WeakPolarHBondContact OE1-CE1 3.48Å; E486-Y499 PolarHBondContact OE1-OH 3.24Å; E486-Y499 VanDerWaalsContact OE1-OH 3.06Å; E486-Y499 PolarHBondContact OE2-OH 3.04Å
487	F	98.9	Very high	97.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-75.8	-38.6	174.5	-68.5	-95.8	0	0	0	112.4	F464 H466 A468 E484 I485 F489 G490 P492 Y499 E503 L506 S507 M510	F464-F487 HydrophobicContact CE2-CD2 4.13Å; F464-F487 HydrophobicContact CE2-CG 4.28Å; F464-F487 AromaticContact CZ-CD2 3.68Å; F464-F487 HydrophobicContact CZ-CD2 3.68Å; F464-F487 AromaticContact CZ-CE2 3.84Å; F464-F487 HydrophobicContact CZ-CE2 3.84Å; F464-F487 HydrophobicContact CZ-CG 4.27Å; H466-F487 AromaticContact CD2-CZ 3.57Å; H466-F487 AromaticContact NE2-CZ 3.98Å; A468-F487 HydrophobicContact CB-CE2 4.23Å; A468-F487 HydrophobicContact CB-CZ 4.3Å; E484-F487 WeakPolarHBondContact O-CB 3.33Å; E484-F487 PolarHBondContact O-N 2.77Å; E484-F487 VanDerWaalsContact O-N 3.11Å; I485-F487 PolarHBondContact O-N 2.94Å; F487-F489 VanDerWaalsContact C-N 3.34Å; F487-G490 PolarHBondContact O-N 3.31Å; F487-P492 HydrophobicContact CD1-CG 3.91Å; F487-P492 HydrophobicContact CE1-CG 3.98Å; F487-P492 HydrophobicContact CG-CG 4.38Å; F487-P492 HydrophobicContact CZ-CG 4.48Å; F487-Y499 HydrophobicContact CZ-CE1 4.37Å; F487-E503 HydrophobicContact CE1-CB 3.8Å; F487-E503 HydrophobicContact CE1-CG 3.86Å; F487-E503 HydrophobicContact CZ-CB 4.32Å; F487-E503 HydrophobicContact CZ-CG 4.02Å; F487-L506 HydrophobicContact CD1-CB 4.26Å; F487-L506 HydrophobicContact CD1-CD2 3.86Å; F487-L506 HydrophobicContact CD1-CG 3.82Å; F487-L506 HydrophobicContact CE1-CB 4.38Å; F487-L506 HydrophobicContact CE1-CD2 3.77Å; F487-L506 HydrophobicContact CE1-CG 4.14Å; F487-S507 WeakPolarHBondContact O-CB 3.41Å; F487-S507 PolarHBondContact O-OG 2.95Å; F487-M510 HydrophobicContact CB-CE 3.87Å; F487-M510 HydrophobicContact CB-SD 3.54Å; F487-M510 VanDerWaalsContact CB-SD 3.54Å; F487-M510 HydrophobicContact CG-SD 4.27Å
488	V	98.9	Very high	97.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.6	-37.2	175.5	174.5	0	0	0	0	111.7	F221 E484 I485 M510 M511 W514	F221-V488 HydrophobicContact CE2-CG1 4.13Å; E484-V488 PolarHBondContact O-N 2.91Å; E484-V488 VanDerWaalsContact O-N 3.11Å; I485-V488 WeakPolarHBondContact O-CB 3.44Å; I485-V488 PolarHBondContact O-N 3.18Å; V488-M510 HydrophobicContact CG2-CE 3.74Å; V488-M511 VanDerWaalsContact O-CG 3.27Å; V488-M511 WeakPolarHBondContact O-CG 3.37Å; V488-W514 HydrophobicContact CG1-CD2 4.48Å; V488-W514 HydrophobicContact CG1-CG 4.2Å; V488-W514 HydrophobicContact CG2-CD2 4.33Å; V488-W514 HydrophobicContact CG2-CH2 4.3Å; V488-W514 HydrophobicContact CG2-CZ2 3.7Å
489	F	98.8	Very high	97.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-89.9	-6.3	-178.8	-83	-97.3	0	0	0	114.3	W138 V153 Y154 Y158 F221 I485 F487	W138-F489 HydrophobicContact CB-CZ 4.14Å; W138-F489 AromaticContact CD2-CE2 3.92Å; W138-F489 HydrophobicContact CD2-CE2 3.92Å; W138-F489 AromaticContact CD2-CZ 3.61Å; W138-F489 HydrophobicContact CD2-CZ 3.61Å; W138-F489 AromaticContact CE3-CE2 3.88Å; W138-F489 HydrophobicContact CE3-CE2 3.88Å; W138-F489 AromaticContact CE3-CZ 3.89Å; W138-F489 HydrophobicContact CE3-CZ 3.89Å; W138-F489 HydrophobicContact CG-CE2 4.5Å; W138-F489 AromaticContact CG-CZ 3.73Å; W138-F489 HydrophobicContact CG-CZ 3.73Å; W138-F489 HydrophobicContact CH2-CE2 4.15Å; W138-F489 HydrophobicContact CZ2-CE2 4.24Å; W138-F489 AromaticContact CZ3-CE2 3.98Å; W138-F489 HydrophobicContact CZ3-CE2 3.98Å; W138-F489 HydrophobicContact CZ3-CZ 4.46Å; V153-F489 VanDerWaalsContact O-CB 3.26Å; V153-F489 WeakPolarHBondContact O-CB 3.44Å; V153-F489 VanDerWaalsContact O-CG 3.31Å; V153-F489 WeakPolarHBondContact O-CG 3.47Å; Y154-F489 VanDerWaalsContact C-CD1 3.46Å; Y154-F489 HydrophobicContact CD1-CE2 4.4Å; Y154-F489 WeakPolarHBondContact O-CD1 3.07Å; Y154-F489 VanDerWaalsContact O-CE1 3.23Å; Y154-F489 WeakPolarHBondContact O-CE1 3.31Å; Y158-F489 WeakPolarHBondContact CB-O 2.96Å; F221-F489 AromaticContact CE2-CE2 3.84Å; F221-F489 HydrophobicContact CE2-CE2 3.84Å; F221-F489 AromaticContact CE2-CZ 3.85Å; F221-F489 HydrophobicContact CE2-CZ 3.85Å; F221-F489 HydrophobicContact CZ-CE1 4.41Å; F221-F489 HydrophobicContact CZ-CE2 4.19Å; F221-F489 AromaticContact CZ-CZ 3.71Å; F221-F489 HydrophobicContact CZ-CZ 3.71Å; I485-F489 HydrophobicContact CG2-CD2 3.46Å; I485-F489 VanDerWaalsContact CG2-CD2 3.46Å; I485-F489 HydrophobicContact CG2-CE2 3.72Å; I485-F489 WeakPolarHBondContact O-CD2 3.43Å; I485-F489 PolarHBondContact O-N 3.43Å; F487-F489 VanDerWaalsContact C-N 3.34Å
490	G	98.4	Very high	97.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	14.3	172.6	0	0	0	0	0	115.4	E486 F487 P492 L493 S507	E486-G490 PolarHBondContact O-N 3.23Å; F487-G490 PolarHBondContact O-N 3.31Å; G490-P492 VanDerWaalsContact C-CD 3.46Å; G490-P492 VanDerWaalsContact C-N 3.29Å; G490-L493 VanDerWaalsContact O-CB 3.26Å; G490-L493 WeakPolarHBondContact O-CB 3.36Å; G490-L493 WeakPolarHBondContact O-CG 3.28Å; G490-L493 PolarHBondContact O-N 2.72Å; G490-S507 WeakPolarHBondContact CA-OG 3.12Å
491	L	97.6	Very high	97.1	Very high	19 Å²	19	38.5 Å²	38.5	10%	0.099	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-55	-36	179	-74.1	-165.9	0	0	0	113.9	V153 Y158 E486 L493 E494 L497 Y499	V153-L491 HydrophobicContact CB-CD1 4.14Å; V153-L491 HydrophobicContact CG2-CD1 4.04Å; Y158-L491 HydrophobicContact CE2-CD2 4.01Å; E486-L491 HydrophobicContact CB-CB 4.1Å; E486-L491 HydrophobicContact CB-CD1 3.84Å; E486-L491 HydrophobicContact CB-CG 4.25Å; E486-L491 PolarHBondContact O-N 3.02Å; L491-L493 PolarHBondContact O-N 2.98Å; L491-E494 WeakPolarHBondContact O-CB 3.42Å; L491-E494 PolarHBondContact O-N 3.44Å; L491-L497 HydrophobicContact CB-CD1 4.01Å; L491-L497 HydrophobicContact CD1-CD1 4.27Å; L491-L497 HydrophobicContact CD2-CD1 4.08Å; L491-L497 HydrophobicContact CG-CD1 4.36Å; L491-Y499 HydrophobicContact CB-CE2 4.38Å
492	P	98.2	Very high	97.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-55	-21.4	173.9	-32.3	39.7	0	0	0	115.2	E486 F487 G490 E494 Y499 E503 K504	E486-P492 WeakPolarHBondContact O-CD 3.47Å; F487-P492 HydrophobicContact CD1-CG 3.91Å; F487-P492 HydrophobicContact CE1-CG 3.98Å; F487-P492 HydrophobicContact CG-CG 4.38Å; F487-P492 HydrophobicContact CZ-CG 4.48Å; G490-P492 VanDerWaalsContact C-CD 3.46Å; G490-P492 VanDerWaalsContact C-N 3.29Å; P492-E494 VanDerWaalsContact C-N 3.32Å; P492-Y499 VanDerWaalsContact CA-CD2 3.48Å; P492-Y499 HydrophobicContact CB-CD1 4.15Å; P492-Y499 HydrophobicContact CB-CD2 4.16Å; P492-Y499 HydrophobicContact CB-CG 3.83Å; P492-Y499 HydrophobicContact CG-CD1 3.85Å; P492-Y499 HydrophobicContact CG-CD2 4.23Å; P492-Y499 HydrophobicContact CG-CE1 3.97Å; P492-Y499 HydrophobicContact CG-CE2 4.34Å; P492-Y499 HydrophobicContact CG-CG 3.96Å; P492-E503 HydrophobicContact CB-CB 4.45Å; P492-K504 HydrophobicContact CB-CG 4.26Å; P492-K504 WeakPolarHBondContact O-CE 3.28Å; P492-K504 WeakPolarHBondContact O-CG 3.23Å
493	L	96.6	Very high	97.1	Very high	22 Å²	22	42.8 Å²	42.8	12%	0.115	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-75.1	-18.2	176	-57.7	-175.7	0	0	0	113.9	G490 L491 K495 K504 R508 M511	G490-L493 VanDerWaalsContact O-CB 3.26Å; G490-L493 WeakPolarHBondContact O-CB 3.36Å; G490-L493 WeakPolarHBondContact O-CG 3.28Å; G490-L493 PolarHBondContact O-N 2.72Å; L491-L493 PolarHBondContact O-N 2.98Å; L493-K495 PolarHBondContact O-N 3.22Å; L493-K504 HydrophobicContact CD2-CB 4.34Å; L493-K504 HydrophobicContact CD2-CG 4.39Å; L493-R508 HydrophobicContact CD2-CG 3.94Å; L493-M511 HydrophobicContact CD1-CE 3.5Å; L493-M511 VanDerWaalsContact CD1-CE 3.5Å; L493-M511 HydrophobicContact CG-CE 4.38Å
494	E	94.5	Very high	97.1	Very high	32 Å²	32	45 Å²	45	15%	0.15	21%	0.214	C	C	.	.			trans	-76.9	112.3	173.9	177.4	49.9	-95.4	0	0	109.9	L491 P492 R496 L497	L491-E494 WeakPolarHBondContact O-CB 3.42Å; L491-E494 PolarHBondContact O-N 3.44Å; P492-E494 VanDerWaalsContact C-N 3.32Å; E494-R496 HydrophobicContact CG-CB 4.27Å; E494-R496 PolarHBondContact O-N 2.77Å; E494-R496 VanDerWaalsContact O-N 3.16Å; E494-R496 WeakPolarHBondContact OE1-CG 3.4Å; E494-R496 PolarHBondContact OE1-N 3.04Å; E494-R496 IonicContact OE1-NH1 2.64Å; E494-R496 IonicContact OE2-NH1 3.88Å; E494-R496 PolarHBondContact OE2-NH1 3.13Å; E494-L497 HydrophobicContact CB-CD1 3.98Å; E494-L497 HydrophobicContact CB-CG 4.09Å; E494-L497 HydrophobicContact CG-CD1 4.15Å; E494-L497 HydrophobicContact CG-CG 3.86Å; E494-L497 PolarHBondContact O-N 2.74Å; E494-L497 VanDerWaalsContact O-N 3.13Å
495	K	90.4	Very high	97	Very high	154 Å²	154	49.5 Å²	49.5	67%	0.67	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-59.8	-30.3	-175.5	-67	-179.8	-179.1	173.3	0	112.4	L493 L497	L493-K495 PolarHBondContact O-N 3.22Å; K495-L497 PolarHBondContact O-N 3.1Å
496	R	92.4	Very high	97	Very high	198 Å²	198	49.6 Å²	49.6	75%	0.747	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-71.1	-15.7	-178.6	-59.8	-175.2	-158.6	99.5	-0.9	114	E494	E494-R496 HydrophobicContact CG-CB 4.27Å; E494-R496 PolarHBondContact O-N 2.77Å; E494-R496 VanDerWaalsContact O-N 3.16Å; E494-R496 WeakPolarHBondContact OE1-CG 3.4Å; E494-R496 PolarHBondContact OE1-N 3.04Å; E494-R496 IonicContact OE1-NH1 2.64Å; E494-R496 IonicContact OE2-NH1 3.88Å; E494-R496 PolarHBondContact OE2-NH1 3.13Å
497	L	93.9	Very high	97	Very high	61 Å²	61	49.2 Å²	49.2	32%	0.319	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-91.5	3.8	-176.3	-60.5	-179.2	0	0	0	113.9	N470 L491 E494 K495 Y499	N470-L497 PolarHBondContact ND2-O 3.21Å; L491-L497 HydrophobicContact CB-CD1 4.01Å; L491-L497 HydrophobicContact CD1-CD1 4.27Å; L491-L497 HydrophobicContact CD2-CD1 4.08Å; L491-L497 HydrophobicContact CG-CD1 4.36Å; E494-L497 HydrophobicContact CB-CD1 3.98Å; E494-L497 HydrophobicContact CB-CG 4.09Å; E494-L497 HydrophobicContact CG-CD1 4.15Å; E494-L497 HydrophobicContact CG-CG 3.86Å; E494-L497 PolarHBondContact O-N 2.74Å; E494-L497 VanDerWaalsContact O-N 3.13Å; K495-L497 PolarHBondContact O-N 3.1Å; L497-Y499 VanDerWaalsContact C-N 3.3Å; L497-Y499 HydrophobicContact CB-CD2 3.73Å; L497-Y499 HydrophobicContact CB-CE2 3.64Å; L497-Y499 HydrophobicContact CD1-CE2 4.18Å; L497-Y499 PolarHBondContact O-N 2.86Å
498	N	94.4	Very high	97	Very high	130 Å²	130	55.9 Å²	55.9	70%	0.695	26%	0.262	S	S	*	.			trans	58.9	26.5	170.5	-62.6	-20.8	0	0	0	116.8
499	Y	98.1	Very high	96.9	Very high	17 Å²	17	58.5 Å²	58.5	7%	0.067	27%	0.272	C	S	.	.			trans	-69.7	150.2	169.2	-68.4	-90.5	0	0	0	112.7	A468 N470 E486 F487 L491 P492 L497 E503 K504	A468-Y499 HydrophobicContact CB-CE1 4.25Å; N470-Y499 WeakPolarHBondContact ND2-CE2 3.41Å; N470-Y499 WeakPolarHBondContact OD1-CE1 3.24Å; E486-Y499 WeakPolarHBondContact OE1-CE1 3.48Å; E486-Y499 PolarHBondContact OE1-OH 3.24Å; E486-Y499 VanDerWaalsContact OE1-OH 3.06Å; E486-Y499 PolarHBondContact OE2-OH 3.04Å; F487-Y499 HydrophobicContact CZ-CE1 4.37Å; L491-Y499 HydrophobicContact CB-CE2 4.38Å; P492-Y499 VanDerWaalsContact CA-CD2 3.48Å; P492-Y499 HydrophobicContact CB-CD1 4.15Å; P492-Y499 HydrophobicContact CB-CD2 4.16Å; P492-Y499 HydrophobicContact CB-CG 3.83Å; P492-Y499 HydrophobicContact CG-CD1 3.85Å; P492-Y499 HydrophobicContact CG-CD2 4.23Å; P492-Y499 HydrophobicContact CG-CE1 3.97Å; P492-Y499 HydrophobicContact CG-CE2 4.34Å; P492-Y499 HydrophobicContact CG-CG 3.96Å; L497-Y499 VanDerWaalsContact C-N 3.3Å; L497-Y499 HydrophobicContact CB-CD2 3.73Å; L497-Y499 HydrophobicContact CB-CE2 3.64Å; L497-Y499 HydrophobicContact CD1-CE2 4.18Å; L497-Y499 PolarHBondContact O-N 2.86Å; Y499-E503 HydrophobicContact CD1-CB 4.2Å; Y499-K504 WeakPolarHBondContact O-CE 3.17Å; Y499-K504 PolarHBondContact O-NZ 2.93Å
500	T	98.4	Very high	96.8	Very high	51 Å²	51	58.5 Å²	58.5	31%	0.313	27%	0.272	S	S	.	.			trans	-66.6	168.9	175.7	62.4	0	0	0	0	112.5	E502 E503 K504	T500-E502 VanDerWaalsContact C-N 3.32Å; T500-E503 WeakPolarHBondContact CB-OE2 3.47Å; T500-E503 PolarHBondContact N-OE2 3.21Å; T500-E503 WeakPolarHBondContact OG1-CB 3.3Å; T500-E503 WeakPolarHBondContact OG1-CG 3.18Å; T500-E503 PolarHBondContact OG1-N 3.13Å; T500-E503 VanDerWaalsContact OG1-N 3.17Å; T500-E503 PolarHBondContact OG1-OE2 2.98Å; T500-K504 WeakPolarHBondContact O-CG 3.2Å; T500-K504 PolarHBondContact O-N 3.45Å
501	T	97.9	Very high	96.8	Very high	86 Å²	86	58.5 Å²	58.5	53%	0.528	27%	0.272	S	S	.	.	H	α-helix	trans	-70.8	-35	176.8	-59.3	0	0	0	0	111	K504 N505	T501-K504 WeakPolarHBondContact O-CB 3.11Å; T501-K504 PolarHBondContact O-N 3.09Å; T501-N505 PolarHBondContact O-N 3.3Å; T501-N505 PolarHBondContact O-ND2 3.32Å
502	E	98.4	Very high	96.8	Very high	108 Å²	108	61 Å²	61	51%	0.505	28%	0.282	S	S	.	.	H	α-helix	trans	-64.1	-41.9	177.2	-64.1	66.1	-147.3	0	0	110.3	T500 N505 L506 T549	T500-E502 VanDerWaalsContact C-N 3.32Å; E502-N505 WeakPolarHBondContact O-CB 3.34Å; E502-N505 PolarHBondContact O-N 2.98Å; E502-L506 PolarHBondContact O-N 3.02Å; E502-T549 HydrophobicContact CB-CG2 3.64Å
503	E	98.7	Very high	96.8	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-67.5	-37.9	175.4	-74.5	166	148.6	0	0	113	H466 A468 S469 F487 P492 Y499 T500 N505 L506 S507 T549	H466-E503 IonicContact CD2-OE1 3.76Å; H466-E503 IonicContact CE1-OE1 3.12Å; H466-E503 VanDerWaalsContact NE2-CG 3.32Å; H466-E503 WeakPolarHBondContact NE2-CG 3.45Å; H466-E503 IonicContact NE2-OE1 2.77Å; H466-E503 PolarHBondContact NE2-OE1 2.78Å; A468-E503 WeakPolarHBondContact CA-OE1 3.41Å; S469-E503 WeakPolarHBondContact CB-OE1 3.18Å; S469-E503 PolarHBondContact N-OE1 2.98Å; S469-E503 PolarHBondContact OG-OE1 3.41Å; S469-E503 PolarHBondContact OG-OE2 3.33Å; F487-E503 HydrophobicContact CE1-CB 3.8Å; F487-E503 HydrophobicContact CE1-CG 3.86Å; F487-E503 HydrophobicContact CZ-CB 4.32Å; F487-E503 HydrophobicContact CZ-CG 4.02Å; P492-E503 HydrophobicContact CB-CB 4.45Å; Y499-E503 HydrophobicContact CD1-CB 4.2Å; T500-E503 WeakPolarHBondContact CB-OE2 3.47Å; T500-E503 PolarHBondContact N-OE2 3.21Å; T500-E503 WeakPolarHBondContact OG1-CB 3.3Å; T500-E503 WeakPolarHBondContact OG1-CG 3.18Å; T500-E503 PolarHBondContact OG1-N 3.13Å; T500-E503 VanDerWaalsContact OG1-N 3.17Å; T500-E503 PolarHBondContact OG1-OE2 2.98Å; E503-N505 VanDerWaalsContact C-N 3.27Å; E503-N505 PolarHBondContact O-N 2.88Å; E503-L506 PolarHBondContact O-N 3.47Å; E503-S507 WeakPolarHBondContact O-CB 3.48Å; E503-S507 PolarHBondContact O-N 3.16Å; E503-T549 HydrophobicContact CG-CG2 4.47Å
504	K	98.3	Very high	96.9	Very high	58 Å²	58	60.4 Å²	60.4	25%	0.252	28%	0.278	S	S	.	.	H	α-helix	trans	-57.9	-42.7	170.2	-75.4	163.1	-167.2	161	0	111.4	P492 L493 Y499 T500 T501 R508	P492-K504 HydrophobicContact CB-CG 4.26Å; P492-K504 WeakPolarHBondContact O-CE 3.28Å; P492-K504 WeakPolarHBondContact O-CG 3.23Å; L493-K504 HydrophobicContact CD2-CB 4.34Å; L493-K504 HydrophobicContact CD2-CG 4.39Å; Y499-K504 WeakPolarHBondContact O-CE 3.17Å; Y499-K504 PolarHBondContact O-NZ 2.93Å; T500-K504 WeakPolarHBondContact O-CG 3.2Å; T500-K504 PolarHBondContact O-N 3.45Å; T501-K504 WeakPolarHBondContact O-CB 3.11Å; T501-K504 PolarHBondContact O-N 3.09Å; K504-R508 WeakPolarHBondContact O-CG 3.39Å; K504-R508 PolarHBondContact O-N 3.4Å
505	N	97.8	Very high	97.1	Very high	94 Å²	94	58.9 Å²	58.9	50%	0.503	27%	0.271	S	S	.	.	H	α-helix	trans	-69.1	-40.6	178	-69	-29.1	0	0	0	111.9	T501 E502 E503 R509	T501-N505 PolarHBondContact O-N 3.3Å; T501-N505 PolarHBondContact O-ND2 3.32Å; E502-N505 WeakPolarHBondContact O-CB 3.34Å; E502-N505 PolarHBondContact O-N 2.98Å; E503-N505 VanDerWaalsContact C-N 3.27Å; E503-N505 PolarHBondContact O-N 2.88Å; N505-R509 WeakPolarHBondContact O-CB 3.35Å; N505-R509 PolarHBondContact O-N 3.46Å
506	L	98.3	Very high	97.4	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-50.6	173.7	174.1	53.6	0	0	0	111.2	F464 H466 F487 E502 E503 R508 R509 M510 N548 T549	F464-L506 HydrophobicContact CE2-CD2 4.2Å; H466-L506 HydrophobicContact CB-CD2 3.88Å; F487-L506 HydrophobicContact CD1-CB 4.26Å; F487-L506 HydrophobicContact CD1-CD2 3.86Å; F487-L506 HydrophobicContact CD1-CG 3.82Å; F487-L506 HydrophobicContact CE1-CB 4.38Å; F487-L506 HydrophobicContact CE1-CD2 3.77Å; F487-L506 HydrophobicContact CE1-CG 4.14Å; E502-L506 PolarHBondContact O-N 3.02Å; E503-L506 PolarHBondContact O-N 3.47Å; L506-R508 PolarHBondContact O-N 3.07Å; L506-R509 CarbonylContact O-C 3.46Å; L506-R509 WeakPolarHBondContact O-CA 3.42Å; L506-R509 WeakPolarHBondContact O-CB 3.4Å; L506-R509 PolarHBondContact O-N 3.31Å; L506-M510 HydrophobicContact CD1-CG 3.99Å; L506-M510 HydrophobicContact CD1-SD 3.79Å; L506-M510 HydrophobicContact CG-SD 3.97Å; L506-M510 WeakPolarHBondContact O-CG 3.34Å; L506-M510 PolarHBondContact O-N 3.02Å; L506-N548 WeakPolarHBondContact CD1-O 3.45Å; L506-T549 HydrophobicContact CB-CG2 4.49Å; L506-T549 HydrophobicContact CD2-CG2 4.35Å
507	S	98.6	Very high	97.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-44.6	179.4	173.4	0	0	0	0	112.3	F487 G490 E503 R509 M510 M511	F487-S507 WeakPolarHBondContact O-CB 3.41Å; F487-S507 PolarHBondContact O-OG 2.95Å; G490-S507 WeakPolarHBondContact CA-OG 3.12Å; E503-S507 WeakPolarHBondContact O-CB 3.48Å; E503-S507 PolarHBondContact O-N 3.16Å; S507-R509 VanDerWaalsContact C-N 3.27Å; S507-R509 PolarHBondContact O-N 2.87Å; S507-M510 PolarHBondContact O-N 2.97Å; S507-M511 WeakPolarHBondContact O-CG 3.25Å; S507-M511 PolarHBondContact O-N 3.26Å
508	R	97.8	Very high	97.8	Very high	141 Å²	141	39.4 Å²	39.4	53%	0.532	19%	0.19	S	C	.	.	H	α-helix	trans	-56.9	-42.4	172.4	-74.5	178.1	175.7	-155.1	-3.4	112	L493 K504 L506 M511 K512	L493-R508 HydrophobicContact CD2-CG 3.94Å; K504-R508 WeakPolarHBondContact O-CG 3.39Å; K504-R508 PolarHBondContact O-N 3.4Å; L506-R508 PolarHBondContact O-N 3.07Å; R508-M511 HydrophobicContact CG-CE 4.48Å; R508-K512 VanDerWaalsContact O-CB 3.29Å; R508-K512 WeakPolarHBondContact O-CB 3.28Å; R508-K512 PolarHBondContact O-N 2.74Å
509	R	96.7	Very high	97.8	Very high	54 Å²	54	35.8 Å²	35.8	20%	0.204	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-41	178.5	-178	171.1	65	172.9	-0.1	111.8	N505 L506 S507 K512 Y513 N548 D550	N505-R509 WeakPolarHBondContact O-CB 3.35Å; N505-R509 PolarHBondContact O-N 3.46Å; L506-R509 CarbonylContact O-C 3.46Å; L506-R509 WeakPolarHBondContact O-CA 3.42Å; L506-R509 WeakPolarHBondContact O-CB 3.4Å; L506-R509 PolarHBondContact O-N 3.31Å; S507-R509 VanDerWaalsContact C-N 3.27Å; S507-R509 PolarHBondContact O-N 2.87Å; R509-K512 WeakPolarHBondContact O-CB 3.27Å; R509-K512 PolarHBondContact O-N 3.19Å; R509-Y513 HydrophobicContact CG-CD2 4.03Å; R509-Y513 HydrophobicContact CG-CE2 3.39Å; R509-Y513 VanDerWaalsContact O-CD2 3.24Å; R509-Y513 WeakPolarHBondContact O-CD2 3.42Å; R509-Y513 PolarHBondContact O-N 2.88Å; R509-N548 PolarHBondContact NH2-O 3.37Å; R509-D550 PolarHBondContact NH1-O 3.49Å; R509-D550 PolarHBondContact NH2-O 2.98Å
510	M	98.4	Very high	97.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.7	-50.5	176.3	-71.5	175.7	65.7	0	0	111.7	F464 E484 F487 V488 L506 S507 K512 Y513 W514 L547	F464-M510 HydrophobicContact CD2-CE 3.99Å; F464-M510 HydrophobicContact CD2-SD 4.07Å; F464-M510 HydrophobicContact CE2-CE 4.11Å; F464-M510 HydrophobicContact CE2-SD 3.86Å; E484-M510 HydrophobicContact CB-CE 4.32Å; F487-M510 HydrophobicContact CB-CE 3.87Å; F487-M510 HydrophobicContact CB-SD 3.54Å; F487-M510 VanDerWaalsContact CB-SD 3.54Å; F487-M510 HydrophobicContact CG-SD 4.27Å; V488-M510 HydrophobicContact CG2-CE 3.74Å; L506-M510 HydrophobicContact CD1-CG 3.99Å; L506-M510 HydrophobicContact CD1-SD 3.79Å; L506-M510 HydrophobicContact CG-SD 3.97Å; L506-M510 WeakPolarHBondContact O-CG 3.34Å; L506-M510 PolarHBondContact O-N 3.02Å; S507-M510 PolarHBondContact O-N 2.97Å; M510-K512 PolarHBondContact O-N 2.74Å; M510-Y513 PolarHBondContact O-N 3.45Å; M510-W514 HydrophobicContact CB-CE3 4.38Å; M510-W514 HydrophobicContact CB-CZ3 4.21Å; M510-W514 HydrophobicContact CE-CH2 4.06Å; M510-W514 HydrophobicContact CE-CZ3 4.36Å; M510-W514 HydrophobicContact CG-CZ3 4.35Å; M510-W514 PolarHBondContact O-N 3.15Å; M510-L547 HydrophobicContact CE-CD1 4.37Å; M510-L547 HydrophobicContact CG-CD1 4.34Å
511	M	98.6	Very high	97.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-52.7	-43	173.9	-71.2	-163.8	-67.4	0	0	111.5	L159 T162 E163 V488 L493 S507 R508 W514 A515	L159-M511 HydrophobicContact CB-SD 4.14Å; L159-M511 HydrophobicContact CD1-CB 3.83Å; L159-M511 HydrophobicContact CD1-CG 3.85Å; L159-M511 HydrophobicContact CD1-SD 4.12Å; T162-M511 HydrophobicContact CG2-CE 3.84Å; E163-M511 HydrophobicContact CG-CB 4.03Å; V488-M511 VanDerWaalsContact O-CG 3.27Å; V488-M511 WeakPolarHBondContact O-CG 3.37Å; L493-M511 HydrophobicContact CD1-CE 3.5Å; L493-M511 VanDerWaalsContact CD1-CE 3.5Å; L493-M511 HydrophobicContact CG-CE 4.38Å; S507-M511 WeakPolarHBondContact O-CG 3.25Å; S507-M511 PolarHBondContact O-N 3.26Å; R508-M511 HydrophobicContact CG-CE 4.48Å; M511-W514 PolarHBondContact O-N 3.38Å; M511-A515 VanDerWaalsContact O-CB 3.3Å; M511-A515 WeakPolarHBondContact O-CB 3.36Å; M511-A515 PolarHBondContact O-N 3.43Å
512	K	97.4	Very high	97.2	Very high	73 Å²	73	33 Å²	33	32%	0.317	15%	0.151	S	C	.	.	H	α-helix	trans	-59.5	-49.5	175.9	-167	74	-168.7	169.4	0	112.4	E163 R508 R509 M510 A515 N516 L527	E163-K512 WeakPolarHBondContact OE1-CA 2.88Å; E163-K512 VanDerWaalsContact OE1-CD 3.25Å; E163-K512 WeakPolarHBondContact OE1-CD 3.49Å; E163-K512 WeakPolarHBondContact OE2-CD 3.46Å; E163-K512 IonicContact OE2-NZ 3.3Å; E163-K512 PolarHBondContact OE2-NZ 3.36Å; R508-K512 VanDerWaalsContact O-CB 3.29Å; R508-K512 WeakPolarHBondContact O-CB 3.28Å; R508-K512 PolarHBondContact O-N 2.74Å; R509-K512 WeakPolarHBondContact O-CB 3.27Å; R509-K512 PolarHBondContact O-N 3.19Å; M510-K512 PolarHBondContact O-N 2.74Å; K512-A515 PolarHBondContact O-N 2.89Å; K512-N516 WeakPolarHBondContact O-CB 3.31Å; K512-N516 PolarHBondContact O-N 3.06Å; K512-N516 PolarHBondContact O-ND2 3.49Å; K512-L527 HydrophobicContact CG-CD2 4.47Å
513	Y	98.1	Very high	97.1	Very high	8 Å²	8	27.9 Å²	27.9	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-59.5	-47.1	178.1	-69.8	-39.7	0	0	0	112	R509 M510 F517 P523 L527 W534 L547 L552	R509-Y513 HydrophobicContact CG-CD2 4.03Å; R509-Y513 HydrophobicContact CG-CE2 3.39Å; R509-Y513 VanDerWaalsContact O-CD2 3.24Å; R509-Y513 WeakPolarHBondContact O-CD2 3.42Å; R509-Y513 PolarHBondContact O-N 2.88Å; M510-Y513 PolarHBondContact O-N 3.45Å; Y513-F517 VanDerWaalsContact O-CB 3.27Å; Y513-F517 WeakPolarHBondContact O-CB 3.44Å; Y513-F517 PolarHBondContact O-N 2.72Å; Y513-P523 HydrophobicContact CD1-CB 4Å; Y513-P523 WeakPolarHBondContact CD1-O 3.38Å; Y513-P523 HydrophobicContact CG-CB 4.33Å; Y513-L527 HydrophobicContact CD1-CD1 4.28Å; Y513-L527 HydrophobicContact CE1-CD1 3.63Å; Y513-W534 HydrophobicContact CD1-CE3 4.13Å; Y513-W534 AromaticContact CD2-CE3 3.93Å; Y513-W534 HydrophobicContact CD2-CE3 3.93Å; Y513-W534 AromaticContact CD2-CZ3 3.72Å; Y513-W534 HydrophobicContact CD2-CZ3 3.72Å; Y513-W534 HydrophobicContact CE1-CE3 4.37Å; Y513-W534 HydrophobicContact CE2-CE3 4.2Å; Y513-W534 HydrophobicContact CE2-CZ3 4.31Å; Y513-W534 AromaticContact CG-CE3 3.91Å; Y513-W534 HydrophobicContact CG-CE3 3.91Å; Y513-W534 AromaticContact CG-CZ3 3.84Å; Y513-W534 HydrophobicContact CG-CZ3 3.84Å; Y513-L547 HydrophobicContact CD2-CD2 4.16Å; Y513-L547 HydrophobicContact CE2-CD2 3.93Å; Y513-L552 HydrophobicContact CE2-CD1 4.39Å
514	W	98.8	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63	-47.6	-179.9	-93.2	-120.9	0	0	0	111.3	M136 I247 Q249 L344 Y462 V488 M510 M511 F517 A518 W534 L547	M136-W514 HydrophobicContact CE-CB 4Å; I247-W514 HydrophobicContact CD1-CB 4.39Å; I247-W514 VanDerWaalsContact CD1-CD1 3.48Å; I247-W514 HydrophobicContact CD1-CG 3.95Å; Q249-W514 HydrophobicContact CG-CZ2 4.46Å; L344-W514 HydrophobicContact CD2-CH2 4.23Å; L344-W514 HydrophobicContact CD2-CZ2 4.08Å; Y462-W514 HydrophobicContact CD1-CH2 4.01Å; Y462-W514 AromaticContact CE1-CH2 3.67Å; Y462-W514 HydrophobicContact CE1-CH2 3.67Å; Y462-W514 AromaticContact CE1-CZ2 3.76Å; Y462-W514 HydrophobicContact CE1-CZ2 3.76Å; Y462-W514 AromaticContact CZ-CH2 4Å; V488-W514 HydrophobicContact CG1-CD2 4.48Å; V488-W514 HydrophobicContact CG1-CG 4.2Å; V488-W514 HydrophobicContact CG2-CD2 4.33Å; V488-W514 HydrophobicContact CG2-CH2 4.3Å; V488-W514 HydrophobicContact CG2-CZ2 3.7Å; M510-W514 HydrophobicContact CB-CE3 4.38Å; M510-W514 HydrophobicContact CB-CZ3 4.21Å; M510-W514 HydrophobicContact CE-CH2 4.06Å; M510-W514 HydrophobicContact CE-CZ3 4.36Å; M510-W514 HydrophobicContact CG-CZ3 4.35Å; M510-W514 PolarHBondContact O-N 3.15Å; M511-W514 PolarHBondContact O-N 3.38Å; W514-F517 PolarHBondContact O-N 3.2Å; W514-A518 WeakPolarHBondContact O-CB 3.32Å; W514-A518 PolarHBondContact O-N 2.68Å; W514-W534 HydrophobicContact CZ3-CH2 4.44Å; W514-W534 HydrophobicContact CZ3-CZ3 4.46Å; W514-L547 HydrophobicContact CH2-CD1 3.79Å; W514-L547 HydrophobicContact CZ3-CD1 3.85Å
515	A	98.3	Very high	95.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-70.5	-38.7	-179.2	0	0	0	0	0	112.6	E163 V165 M511 K512 F517 A518 R519	E163-A515 HydrophobicContact CB-CB 3.48Å; E163-A515 VanDerWaalsContact CB-CB 3.48Å; E163-A515 HydrophobicContact CG-CB 3.59Å; V165-A515 HydrophobicContact CG1-CB 4.06Å; M511-A515 VanDerWaalsContact O-CB 3.3Å; M511-A515 WeakPolarHBondContact O-CB 3.36Å; M511-A515 PolarHBondContact O-N 3.43Å; K512-A515 PolarHBondContact O-N 2.89Å; A515-F517 VanDerWaalsContact C-N 3.33Å; A515-F517 PolarHBondContact O-N 3.24Å; A515-A518 PolarHBondContact O-N 3.23Å; A515-R519 VanDerWaalsContact C-NH1 3.29Å; A515-R519 VanDerWaalsContact O-CG 3.29Å; A515-R519 WeakPolarHBondContact O-CG 3.5Å; A515-R519 PolarHBondContact O-N 3.27Å; A515-R519 PolarHBondContact O-NH1 3.1Å
516	N	96.3	Very high	94.6	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-60.3	-44.9	173.5	-77.3	-10.8	0	0	0	111.5	K512 R519 T520 N522 P523 D525	K512-N516 WeakPolarHBondContact O-CB 3.31Å; K512-N516 PolarHBondContact O-N 3.06Å; K512-N516 PolarHBondContact O-ND2 3.49Å; N516-R519 PolarHBondContact O-N 2.64Å; N516-R519 PolarHBondContact OD1-NH1 3.39Å; N516-T520 PolarHBondContact O-N 2.89Å; N516-T520 PolarHBondContact O-OG1 3.12Å; N516-N522 CarbonylContact C-O 3.36Å; N516-P523 WeakPolarHBondContact CB-O 3.49Å; N516-P523 PolarHBondContact ND2-O 3.35Å; N516-D525 HydrophobicContact CB-CB 4.38Å; N516-D525 VanDerWaalsContact CG-O 3.26Å; N516-D525 PolarHBondContact ND2-O 3.24Å; N516-D525 PolarHBondContact OD1-O 3.11Å
517	F	97.6	Very high	93.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.8	-43.1	174.1	176.9	-93	0	0	0	111.5	T219 R245 A246 I247 Q342 I343 L344 Y460 Y513 W514 A515 R519 T520 G521 P523	T219-F517 HydrophobicContact CG2-CD1 4.42Å; T219-F517 HydrophobicContact CG2-CE1 4.29Å; R245-F517 HydrophobicContact CB-CE1 3.96Å; R245-F517 HydrophobicContact CB-CZ 4.26Å; R245-F517 WeakPolarHBondContact CD-O 3.45Å; A246-F517 WeakPolarHBondContact O-CE1 3.21Å; I247-F517 HydrophobicContact CD1-CD1 3.8Å; I247-F517 HydrophobicContact CD1-CE1 4.28Å; I247-F517 HydrophobicContact CG1-CD1 3.69Å; I247-F517 HydrophobicContact CG1-CE1 3.64Å; Q342-F517 HydrophobicContact CB-CE2 3.71Å; Q342-F517 HydrophobicContact CB-CZ 3.82Å; Q342-F517 WeakPolarHBondContact O-CZ 3.39Å; I343-F517 VanDerWaalsContact C-CZ 3.42Å; L344-F517 HydrophobicContact CB-CD1 4.09Å; L344-F517 HydrophobicContact CB-CD2 4.02Å; L344-F517 HydrophobicContact CB-CE1 4.02Å; L344-F517 HydrophobicContact CB-CE2 3.94Å; L344-F517 HydrophobicContact CB-CG 4.09Å; L344-F517 HydrophobicContact CB-CZ 3.95Å; L344-F517 HydrophobicContact CD1-CB 4.19Å; L344-F517 HydrophobicContact CD1-CD2 4.36Å; L344-F517 HydrophobicContact CD1-CG 4.15Å; L344-F517 VanDerWaalsContact N-CZ 3.33Å; Y460-F517 HydrophobicContact CD2-CD2 4.17Å; Y460-F517 HydrophobicContact CD2-CE2 4.09Å; Y513-F517 VanDerWaalsContact O-CB 3.27Å; Y513-F517 WeakPolarHBondContact O-CB 3.44Å; Y513-F517 PolarHBondContact O-N 2.72Å; W514-F517 PolarHBondContact O-N 3.2Å; A515-F517 VanDerWaalsContact C-N 3.33Å; A515-F517 PolarHBondContact O-N 3.24Å; F517-R519 VanDerWaalsContact C-N 3.33Å; F517-R519 PolarHBondContact O-N 3.42Å; F517-T520 PolarHBondContact O-N 3.46Å; F517-G521 WeakPolarHBondContact O-CA 3.3Å; F517-G521 PolarHBondContact O-N 3.14Å; F517-P523 HydrophobicContact CB-CB 4.41Å
518	A	97.6	Very high	91.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-41.2	177.1	0	0	0	0	0	112.3	M136 T219 R245 W514 A515	M136-A518 HydrophobicContact CG-CB 3.71Å; M136-A518 HydrophobicContact SD-CB 3.91Å; T219-A518 HydrophobicContact CG2-CB 4.28Å; T219-A518 VanDerWaalsContact OG1-CA 3.28Å; T219-A518 WeakPolarHBondContact OG1-CA 3.39Å; T219-A518 WeakPolarHBondContact OG1-CB 3.44Å; R245-A518 PolarHBondContact NH1-O 2.98Å; W514-A518 WeakPolarHBondContact O-CB 3.32Å; W514-A518 PolarHBondContact O-N 2.68Å; A515-A518 PolarHBondContact O-N 3.23Å
519	R	95.1	Very high	90.3	Very high	55 Å²	55	35.9 Å²	35.9	21%	0.208	20%	0.197	C	C	.	.	H	α-helix	trans	-67.4	-51.8	177.7	-67.5	176.4	-152.7	107.6	-2.1	112.2	S134 E163 Q217 R245 A515 N516 F517	S134-R519 WeakPolarHBondContact OG-CA 3.29Å; S134-R519 WeakPolarHBondContact OG-CG 3.14Å; E163-R519 PolarHBondContact O-NH2 3.02Å; E163-R519 IonicContact OE2-CZ 3.74Å; E163-R519 IonicContact OE2-NH1 3.6Å; E163-R519 IonicContact OE2-NH2 3.93Å; E163-R519 PolarHBondContact OE2-NH2 3.15Å; Q217-R519 PolarHBondContact NE2-O 3Å; Q217-R519 VanDerWaalsContact NE2-O 3.12Å; R245-R519 PolarHBondContact NH1-O 3.3Å; R245-R519 VanDerWaalsContact NH1-O 3.11Å; A515-R519 VanDerWaalsContact C-NH1 3.29Å; A515-R519 VanDerWaalsContact O-CG 3.29Å; A515-R519 WeakPolarHBondContact O-CG 3.5Å; A515-R519 PolarHBondContact O-N 3.27Å; A515-R519 PolarHBondContact O-NH1 3.1Å; N516-R519 PolarHBondContact O-N 2.64Å; N516-R519 PolarHBondContact OD1-NH1 3.39Å; F517-R519 VanDerWaalsContact C-N 3.33Å; F517-R519 PolarHBondContact O-N 3.42Å
520	T	94	Very high	88.5	Confident	53 Å²	53	39.1 Å²	39.1	33%	0.325	22%	0.223	S	C	.	.	H	α-helix	trans	-118	-16.8	-163.1	67.3	0	0	0	0	115.3	R245 N516 F517 N522 D525	R245-T520 VanDerWaalsContact CZ-C 3.49Å; R245-T520 VanDerWaalsContact NH2-C 3.29Å; R245-T520 PolarHBondContact NH2-O 3.09Å; N516-T520 PolarHBondContact O-N 2.89Å; N516-T520 PolarHBondContact O-OG1 3.12Å; F517-T520 PolarHBondContact O-N 3.46Å; T520-N522 VanDerWaalsContact C-N 3.28Å; T520-N522 PolarHBondContact OG1-N 3.15Å; T520-N522 VanDerWaalsContact OG1-N 3.11Å; T520-N522 PolarHBondContact OG1-O 3.2Å; T520-N522 VanDerWaalsContact OG1-O 3.14Å; T520-D525 HydrophobicContact CG2-CB 4.05Å; T520-D525 WeakPolarHBondContact CG2-OD2 3.4Å
521	G	93.9	Very high	86.6	Confident	5 Å²	5	49.4 Å²	49.4	5%	0.052	26%	0.262	C	S	.	.	S	Bend	trans	80.9	8.9	-168.1	0	0	0	0	0	113.4	R245 Y460 F517	R245-G521 VanDerWaalsContact CZ-N 3.34Å; Y460-G521 WeakPolarHBondContact CE2-O 3.31Å; F517-G521 WeakPolarHBondContact O-CA 3.3Å; F517-G521 PolarHBondContact O-N 3.14Å
522	N	93.8	Very high	85.3	Confident	38 Å²	38	54.3 Å²	54.3	20%	0.203	28%	0.283	C	S	.	.			trans	-131.9	118.8	176.8	-167.8	-30	0	0	0	110	Y460 N516 T520 N524 D525	Y460-N522 PolarHBondContact OH-ND2 3.24Å; Y460-N522 PolarHBondContact OH-OD1 3.39Å; N516-N522 CarbonylContact C-O 3.36Å; T520-N522 VanDerWaalsContact C-N 3.28Å; T520-N522 PolarHBondContact OG1-N 3.15Å; T520-N522 VanDerWaalsContact OG1-N 3.11Å; T520-N522 PolarHBondContact OG1-O 3.2Å; T520-N522 VanDerWaalsContact OG1-O 3.14Å; N522-N524 PolarHBondContact O-N 3.49Å; N522-N524 VanDerWaalsContact O-N 3.13Å; N522-N524 VanDerWaalsContact OD1-CB 3.22Å; N522-N524 WeakPolarHBondContact OD1-CB 3.44Å; N522-N524 PolarHBondContact OD1-N 2.94Å; N522-N524 PolarHBondContact OD1-ND2 3.38Å; N522-D525 PolarHBondContact O-N 3.3Å
523	P	94.7	Very high	84.8	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-18	179.6	28.4	-34.3	0	0	0	112.4	L344 Y460 Y513 N516 F517 D525 W534	L344-P523 HydrophobicContact CD1-CB 4.28Å; Y460-P523 HydrophobicContact CD1-CG 3.58Å; Y460-P523 HydrophobicContact CD2-CG 4.31Å; Y460-P523 VanDerWaalsContact CE1-CD 3.5Å; Y460-P523 HydrophobicContact CE1-CG 3.82Å; Y460-P523 HydrophobicContact CG-CG 3.84Å; Y460-P523 VanDerWaalsContact CZ-CD 3.44Å; Y513-P523 HydrophobicContact CD1-CB 4Å; Y513-P523 WeakPolarHBondContact CD1-O 3.38Å; Y513-P523 HydrophobicContact CG-CB 4.33Å; N516-P523 WeakPolarHBondContact CB-O 3.49Å; N516-P523 PolarHBondContact ND2-O 3.35Å; F517-P523 HydrophobicContact CB-CB 4.41Å; P523-D525 PolarHBondContact O-N 3.3Å; P523-W534 HydrophobicContact CB-CE3 3.98Å; P523-W534 HydrophobicContact CB-CZ3 4.42Å; P523-W534 HydrophobicContact CG-CB 4.14Å; P523-W534 HydrophobicContact CG-CD2 3.98Å; P523-W534 HydrophobicContact CG-CE3 3.96Å; P523-W534 HydrophobicContact CG-CG 4.11Å
524	N	91.5	Very high	84.6	Confident	13 Å²	13	57.7 Å²	57.7	7%	0.07	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.5	-174.9	-56.3	-74.3	0	0	0	115.1	N522 G526 L527 R533 W534	N522-N524 PolarHBondContact O-N 3.49Å; N522-N524 VanDerWaalsContact O-N 3.13Å; N522-N524 VanDerWaalsContact OD1-CB 3.22Å; N522-N524 WeakPolarHBondContact OD1-CB 3.44Å; N522-N524 PolarHBondContact OD1-N 2.94Å; N522-N524 PolarHBondContact OD1-ND2 3.38Å; N524-G526 PolarHBondContact O-N 3.28Å; N524-L527 WeakPolarHBondContact O-CB 3.24Å; N524-L527 WeakPolarHBondContact O-CG 3.46Å; N524-L527 PolarHBondContact O-N 2.76Å; N524-L527 VanDerWaalsContact O-N 3.12Å; N524-R533 HydrophobicContact CB-CG 4.03Å; N524-R533 VanDerWaalsContact CG-CG 3.42Å; N524-R533 WeakPolarHBondContact OD1-CA 3.48Å; N524-R533 WeakPolarHBondContact OD1-CG 3.14Å; N524-W534 PolarHBondContact ND2-O 3.28Å; N524-W534 WeakPolarHBondContact OD1-CB 3.17Å; N524-W534 PolarHBondContact OD1-N 2.63Å
525	D	79.9	Confident	84.3	Confident	79 Å²	79	58.8 Å²	58.8	42%	0.422	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	137.7	-171	-170.2	36.1	0	0	0	112.7	N516 T520 N522 P523 L527	N516-D525 HydrophobicContact CB-CB 4.38Å; N516-D525 VanDerWaalsContact CG-O 3.26Å; N516-D525 PolarHBondContact ND2-O 3.24Å; N516-D525 PolarHBondContact OD1-O 3.11Å; T520-D525 HydrophobicContact CG2-CB 4.05Å; T520-D525 WeakPolarHBondContact CG2-OD2 3.4Å; N522-D525 PolarHBondContact O-N 3.3Å; P523-D525 PolarHBondContact O-N 3.3Å; D525-L527 PolarHBondContact O-N 3.13Å
526	G	71.9	Confident	84.1	Confident	66 Å²	66	62.8 Å²	62.8	68%	0.68	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	7	-175.4	0	0	0	0	0	116.4	N524	N524-G526 PolarHBondContact O-N 3.28Å
527	L	73.1	Confident	84.1	Confident	71 Å²	71	63.1 Å²	63.1	37%	0.372	32%	0.323	S	S	.	.			trans	-86.6	117.6	171	-59.2	178.3	0	0	0	110.6	K512 Y513 N524 D525	K512-L527 HydrophobicContact CG-CD2 4.47Å; Y513-L527 HydrophobicContact CD1-CD1 4.28Å; Y513-L527 HydrophobicContact CE1-CD1 3.63Å; N524-L527 WeakPolarHBondContact O-CB 3.24Å; N524-L527 WeakPolarHBondContact O-CG 3.46Å; N524-L527 PolarHBondContact O-N 2.76Å; N524-L527 VanDerWaalsContact O-N 3.12Å; D525-L527 PolarHBondContact O-N 3.13Å
528	L	64.2	Low	83.9	Confident	179 Å²	179	65.3 Å²	65.3	94%	0.937	34%	0.337	S	S	*	.			trans	-74.9	-22.2	-176.3	-67.3	168.4	0	0	0	114	T530	L528-T530 PolarHBondContact O-N 3.37Å
529	D	67.5	Low	83.6	Confident	55 Å²	55	65.9 Å²	65.9	29%	0.294	34%	0.341	S	S	.	.			trans	-91.6	102.3	-176.8	-170.2	1.3	0	0	0	111.8	R531 K532	D529-R531 PolarHBondContact O-N 3.43Å; D529-R531 WeakPolarHBondContact OD1-CB 3.45Å; D529-R531 PolarHBondContact OD1-N 3.07Å; D529-R531 VanDerWaalsContact OD1-N 3.11Å; D529-R531 IonicContact OD1-NE 3.56Å; D529-K532 PolarHBondContact O-N 3.2Å; D529-K532 WeakPolarHBondContact OD2-CD 3.33Å; D529-K532 VanDerWaalsContact OD2-CE 3.31Å; D529-K532 WeakPolarHBondContact OD2-CE 3.42Å; D529-K532 IonicContact OD2-NZ 3.61Å
530	T	58.9	Low	83.3	Confident	122 Å²	122	70.6 Å²	70.6	75%	0.748	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-64.8	-17.1	179.2	52.4	0	0	0	0	113.9	L528 K532	L528-T530 PolarHBondContact O-N 3.37Å; T530-K532 VanDerWaalsContact C-N 3.34Å
531	R	58.6	Low	83.3	Confident	217 Å²	217	71.9 Å²	71.9	82%	0.819	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-82.4	-8.9	-180	-65.1	177	-70.6	-170.2	-3.3	113.9	D529	D529-R531 PolarHBondContact O-N 3.43Å; D529-R531 WeakPolarHBondContact OD1-CB 3.45Å; D529-R531 PolarHBondContact OD1-N 3.07Å; D529-R531 VanDerWaalsContact OD1-N 3.11Å; D529-R531 IonicContact OD1-NE 3.56Å
532	K	70.5	Confident	83.3	Confident	103 Å²	103	73 Å²	73	45%	0.448	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-117.4	32.2	-179	-62.4	179.8	-175.6	175.5	0	112.1	D529 T530 L552	D529-K532 PolarHBondContact O-N 3.2Å; D529-K532 WeakPolarHBondContact OD2-CD 3.33Å; D529-K532 VanDerWaalsContact OD2-CE 3.31Å; D529-K532 WeakPolarHBondContact OD2-CE 3.42Å; D529-K532 IonicContact OD2-NZ 3.61Å; T530-K532 VanDerWaalsContact C-N 3.34Å; K532-L552 WeakPolarHBondContact O-CD2 3.21Å
533	R	86.6	Confident	83.5	Confident	150 Å²	150	73.2 Å²	73.2	57%	0.566	38%	0.376	S	S	*	.			trans	-81.2	125.3	-175.6	-159.5	-179.9	-171.9	-165.2	3	110.6	N524 P535	N524-R533 HydrophobicContact CB-CG 4.03Å; N524-R533 VanDerWaalsContact CG-CG 3.42Å; N524-R533 WeakPolarHBondContact OD1-CA 3.48Å; N524-R533 WeakPolarHBondContact OD1-CG 3.14Å; R533-P535 VanDerWaalsContact O-CD 3.27Å; R533-P535 WeakPolarHBondContact O-CD 3.01Å
534	W	93.8	Very high	83.6	Confident	1 Å²	1	73.7 Å²	73.7	0%	0.004	38%	0.378	C	S	.	.			trans	-65.7	111.9	167.8	-167.6	-25.2	0	0	0	109.1	L344 Y460 L461 Y462 Y513 W514 P523 N524 V545 L547 L552	L344-W534 HydrophobicContact CD1-CH2 3.86Å; L344-W534 HydrophobicContact CD1-CZ2 4.33Å; L344-W534 HydrophobicContact CD1-CZ3 4.2Å; L344-W534 HydrophobicContact CD2-CH2 4.23Å; L344-W534 HydrophobicContact CG-CH2 4.13Å; L344-W534 HydrophobicContact CG-CZ2 4.3Å; Y460-W534 AromaticContact CD1-CD1 3.76Å; Y460-W534 HydrophobicContact CD1-CG 4.07Å; L461-W534 PolarHBondContact O-NE1 2.88Å; Y462-W534 AromaticContact CD1-CH2 3.89Å; Y462-W534 HydrophobicContact CD1-CH2 3.89Å; Y462-W534 HydrophobicContact CD1-CZ2 4.1Å; Y462-W534 HydrophobicContact CG-CH2 4.16Å; Y462-W534 HydrophobicContact CG-CZ2 4.31Å; Y513-W534 HydrophobicContact CD1-CE3 4.13Å; Y513-W534 AromaticContact CD2-CE3 3.93Å; Y513-W534 HydrophobicContact CD2-CE3 3.93Å; Y513-W534 AromaticContact CD2-CZ3 3.72Å; Y513-W534 HydrophobicContact CD2-CZ3 3.72Å; Y513-W534 HydrophobicContact CE1-CE3 4.37Å; Y513-W534 HydrophobicContact CE2-CE3 4.2Å; Y513-W534 HydrophobicContact CE2-CZ3 4.31Å; Y513-W534 AromaticContact CG-CE3 3.91Å; Y513-W534 HydrophobicContact CG-CE3 3.91Å; Y513-W534 AromaticContact CG-CZ3 3.84Å; Y513-W534 HydrophobicContact CG-CZ3 3.84Å; W514-W534 HydrophobicContact CZ3-CH2 4.44Å; W514-W534 HydrophobicContact CZ3-CZ3 4.46Å; P523-W534 HydrophobicContact CB-CE3 3.98Å; P523-W534 HydrophobicContact CB-CZ3 4.42Å; P523-W534 HydrophobicContact CG-CB 4.14Å; P523-W534 HydrophobicContact CG-CD2 3.98Å; P523-W534 HydrophobicContact CG-CE3 3.96Å; P523-W534 HydrophobicContact CG-CG 4.11Å; N524-W534 PolarHBondContact ND2-O 3.28Å; N524-W534 WeakPolarHBondContact OD1-CB 3.17Å; N524-W534 PolarHBondContact OD1-N 2.63Å; W534-V545 HydrophobicContact CB-CG1 4.34Å; W534-V545 HydrophobicContact CD2-CG1 4.35Å; W534-V545 HydrophobicContact CD2-CG2 3.58Å; W534-V545 HydrophobicContact CE3-CG2 4.03Å; W534-V545 HydrophobicContact CG-CG1 3.85Å; W534-V545 HydrophobicContact CG-CG2 4Å; W534-V545 HydrophobicContact CH2-CG2 4.2Å; W534-V545 HydrophobicContact CZ2-CG2 3.77Å; W534-V545 HydrophobicContact CZ3-CG2 4.3Å; W534-L547 HydrophobicContact CH2-CD1 4.23Å; W534-L547 HydrophobicContact CZ3-CD1 4.44Å; W534-L547 HydrophobicContact CZ3-CD2 4.32Å; W534-L552 HydrophobicContact CB-CD2 4.38Å
535	P	93.4	Very high	83.9	Confident	23 Å²	23	73.1 Å²	73.1	15%	0.149	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-72.5	155.2	-177.4	31.6	-36.5	0	0	0	111.8	R533 K543 I554	R533-P535 VanDerWaalsContact O-CD 3.27Å; R533-P535 WeakPolarHBondContact O-CD 3.01Å; P535-K543 HydrophobicContact CB-CB 4.23Å; P535-K543 HydrophobicContact CB-CD 3.86Å; P535-K543 HydrophobicContact CG-CB 3.7Å; P535-K543 HydrophobicContact CG-CD 4.02Å; P535-K543 HydrophobicContact CG-CG 4.43Å; P535-I554 HydrophobicContact CG-CD1 4.12Å; P535-I554 HydrophobicContact CG-CG1 4.23Å; P535-I554 HydrophobicContact CG-CG2 3.9Å
536	L	93.9	Very high	84.7	Confident	84 Å²	84	69.6 Å²	69.6	44%	0.44	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-63.2	136.1	164	-76.4	166.1	0	0	0	109.8	Y460	Y460-L536 HydrophobicContact CD2-CD2 4.38Å; Y460-L536 HydrophobicContact CE1-CD2 3.89Å; Y460-L536 HydrophobicContact CE1-CG 4.18Å; Y460-L536 HydrophobicContact CE2-CD2 3.67Å; Y460-L536 WeakPolarHBondContact OH-CD2 3.32Å
537	F	95.3	Very high	86	Confident	12 Å²	12	66.5 Å²	66.5	5%	0.053	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-77.6	131	165.8	175.7	-80.2	0	0	0	109	A433 R434 A437 V459 L461 Q542 K543	A433-F537 HydrophobicContact CB-CE1 4.05Å; A433-F537 HydrophobicContact CB-CZ 4.04Å; A433-F537 WeakPolarHBondContact O-CE1 3.24Å; R434-F537 HydrophobicContact CB-CZ 4.43Å; A437-F537 HydrophobicContact CB-CD1 3.89Å; A437-F537 HydrophobicContact CB-CE1 3.93Å; V459-F537 HydrophobicContact CB-CB 3.99Å; V459-F537 HydrophobicContact CB-CD1 4.03Å; V459-F537 HydrophobicContact CB-CG 4.42Å; V459-F537 HydrophobicContact CG1-CB 3.89Å; V459-F537 HydrophobicContact CG1-CD1 3.76Å; V459-F537 HydrophobicContact CG1-CG 4.04Å; V459-F537 WeakPolarHBondContact O-CB 3.42Å; V459-F537 PolarHBondContact O-N 3.3Å; L461-F537 HydrophobicContact CB-CB 4.28Å; L461-F537 HydrophobicContact CB-CD2 3.9Å; L461-F537 HydrophobicContact CB-CG 4.36Å; L461-F537 HydrophobicContact CD2-CD2 3.63Å; L461-F537 HydrophobicContact CD2-CE2 3.63Å; L461-F537 HydrophobicContact CG-CD2 4.43Å; F537-Q542 HydrophobicContact CD2-CB 4.44Å; F537-Q542 VanDerWaalsContact CE2-CA 3.5Å; F537-Q542 HydrophobicContact CE2-CB 3.74Å; F537-Q542 HydrophobicContact CE2-CG 4.05Å; F537-Q542 HydrophobicContact CZ-CB 4.18Å; F537-Q542 HydrophobicContact CZ-CG 3.95Å; F537-K543 WeakPolarHBondContact CD2-O 3.44Å
538	T	93.6	Very high	87.2	Confident	46 Å²	46	63.8 Å²	63.8	28%	0.282	31%	0.31	S	S	.	.			trans	-126.3	155.5	171.5	67.6	0	0	0	0	109.3	N540 E541 Q542	T538-N540 PolarHBondContact O-N 3.18Å; T538-N540 VanDerWaalsContact O-N 3.09Å; T538-E541 PolarHBondContact O-N 2.92Å; T538-E541 WeakPolarHBondContact OG1-CB 3.2Å; T538-E541 PolarHBondContact OG1-N 2.81Å; T538-E541 VanDerWaalsContact OG1-N 3.08Å; T538-Q542 WeakPolarHBondContact O-CA 3.35Å; T538-Q542 PolarHBondContact O-N 2.78Å
539	A	90.9	Very high	88.8	Confident	11 Å²	11	58.2 Å²	58.2	9%	0.091	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.2	179.5	0	0	0	0	0	114.1	R434 Q438 Q542	R434-A539 HydrophobicContact CG-CB 4.32Å; Q438-A539 HydrophobicContact CB-CB 4.44Å; Q438-A539 HydrophobicContact CG-CB 3.25Å; A539-Q542 WeakPolarHBondContact O-CG 3.25Å; A539-Q542 PolarHBondContact O-NE2 3.29Å
540	N	89.9	Confident	90.1	Very high	154 Å²	154	59 Å²	59	82%	0.824	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-50.8	-179	-65.8	-16.5	0	0	0	112	T538	T538-N540 PolarHBondContact O-N 3.18Å; T538-N540 VanDerWaalsContact O-N 3.09Å
541	E	93.3	Very high	91.6	Very high	80 Å²	80	57.2 Å²	57.2	37%	0.374	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-29	-174.9	-61	-163.9	107.3	0	0	113.5	T538 K543	T538-E541 PolarHBondContact O-N 2.92Å; T538-E541 WeakPolarHBondContact OG1-CB 3.2Å; T538-E541 PolarHBondContact OG1-N 2.81Å; T538-E541 VanDerWaalsContact OG1-N 3.08Å; E541-K543 HydrophobicContact CB-CD 4.35Å; E541-K543 HydrophobicContact CB-CG 4.13Å; E541-K543 VanDerWaalsContact CD-CE 3.49Å; E541-K543 PolarHBondContact O-N 3.35Å; E541-K543 VanDerWaalsContact O-N 3.11Å; E541-K543 VanDerWaalsContact OE1-CE 3.25Å; E541-K543 WeakPolarHBondContact OE1-CE 3.44Å; E541-K543 IonicContact OE1-NZ 3.77Å; E541-K543 PolarHBondContact OE1-NZ 3.12Å; E541-K543 WeakPolarHBondContact OE2-CE 3.09Å; E541-K543 IonicContact OE2-NZ 2.77Å; E541-K543 PolarHBondContact OE2-NZ 3.4Å
542	Q	95.1	Very high	93.2	Very high	28 Å²	28	47.9 Å²	47.9	13%	0.131	24%	0.244	C	C	.	.			trans	46.6	41.9	178	-57.3	178.8	26	0	0	113.7	F537 T538 A539 K556 G557	F537-Q542 HydrophobicContact CD2-CB 4.44Å; F537-Q542 VanDerWaalsContact CE2-CA 3.5Å; F537-Q542 HydrophobicContact CE2-CB 3.74Å; F537-Q542 HydrophobicContact CE2-CG 4.05Å; F537-Q542 HydrophobicContact CZ-CB 4.18Å; F537-Q542 HydrophobicContact CZ-CG 3.95Å; T538-Q542 WeakPolarHBondContact O-CA 3.35Å; T538-Q542 PolarHBondContact O-N 2.78Å; A539-Q542 WeakPolarHBondContact O-CG 3.25Å; A539-Q542 PolarHBondContact O-NE2 3.29Å; Q542-K556 WeakPolarHBondContact O-CA 3.3Å; Q542-G557 PolarHBondContact O-N 3.37Å
543	K	96.8	Very high	94.4	Very high	44 Å²	44	47.5 Å²	47.5	19%	0.191	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	138.3	179.8	-70.5	170.3	-178	156.2	0	110.6	P535 F537 E541 I554 H555 K556	P535-K543 HydrophobicContact CB-CB 4.23Å; P535-K543 HydrophobicContact CB-CD 3.86Å; P535-K543 HydrophobicContact CG-CB 3.7Å; P535-K543 HydrophobicContact CG-CD 4.02Å; P535-K543 HydrophobicContact CG-CG 4.43Å; F537-K543 WeakPolarHBondContact CD2-O 3.44Å; E541-K543 HydrophobicContact CB-CD 4.35Å; E541-K543 HydrophobicContact CB-CG 4.13Å; E541-K543 VanDerWaalsContact CD-CE 3.49Å; E541-K543 PolarHBondContact O-N 3.35Å; E541-K543 VanDerWaalsContact O-N 3.11Å; E541-K543 VanDerWaalsContact OE1-CE 3.25Å; E541-K543 WeakPolarHBondContact OE1-CE 3.44Å; E541-K543 IonicContact OE1-NZ 3.77Å; E541-K543 PolarHBondContact OE1-NZ 3.12Å; E541-K543 WeakPolarHBondContact OE2-CE 3.09Å; E541-K543 IonicContact OE2-NZ 2.77Å; E541-K543 PolarHBondContact OE2-NZ 3.4Å; K543-I554 HydrophobicContact CB-CG2 4.24Å; K543-I554 HydrophobicContact CD-CG2 4.4Å; K543-I554 HydrophobicContact CG-CG2 4.22Å; K543-H555 VanDerWaalsContact CA-O 3.25Å; K543-H555 WeakPolarHBondContact CA-O 3.16Å; K543-K556 HydrophobicContact CG-CG 4.03Å
544	H	97.4	Very high	94.8	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.046	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	168.2	169.7	63.9	-80.2	0	0	0	109.9	L461 I554 H555	L461-H544 HydrophobicContact CB-CB 3.82Å; L461-H544 HydrophobicContact CD2-CB 3.88Å; L461-H544 HydrophobicContact CG-CB 3.66Å; L461-H544 VanDerWaalsContact O-CA 3.26Å; L461-H544 WeakPolarHBondContact O-CA 3.31Å; L461-H544 WeakPolarHBondContact O-CB 3.42Å; H544-I554 WeakPolarHBondContact O-CA 3.47Å; H544-H555 WeakPolarHBondContact CE1-CB 3.33Å; H544-H555 PolarHBondContact N-O 3.08Å; H544-H555 WeakPolarHBondContact NE2-CB 3.46Å; H544-H555 PolarHBondContact O-N 2.96Å
545	V	97.5	Very high	94.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152.5	176.1	-57.5	0	0	0	0	111.3	L461 Y462 L463 W534 L547 L552 K553 I554	L461-V545 PolarHBondContact O-N 3.27Å; L461-V545 VanDerWaalsContact O-N 3.11Å; Y462-V545 CarbonylContact C-O 3.54Å; Y462-V545 VanDerWaalsContact CA-O 3.29Å; Y462-V545 WeakPolarHBondContact CA-O 3.42Å; L463-V545 PolarHBondContact N-O 2.68Å; W534-V545 HydrophobicContact CB-CG1 4.34Å; W534-V545 HydrophobicContact CD2-CG1 4.35Å; W534-V545 HydrophobicContact CD2-CG2 3.58Å; W534-V545 HydrophobicContact CE3-CG2 4.03Å; W534-V545 HydrophobicContact CG-CG1 3.85Å; W534-V545 HydrophobicContact CG-CG2 4Å; W534-V545 HydrophobicContact CH2-CG2 4.2Å; W534-V545 HydrophobicContact CZ2-CG2 3.77Å; W534-V545 HydrophobicContact CZ3-CG2 4.3Å; V545-L547 HydrophobicContact CG2-CD2 4.21Å; V545-L552 HydrophobicContact CB-CD1 3.69Å; V545-L552 HydrophobicContact CB-CG 4.07Å; V545-L552 HydrophobicContact CG1-CD1 4.11Å; V545-L552 HydrophobicContact CG1-CD2 4.04Å; V545-L552 HydrophobicContact CG1-CG 4.05Å; V545-L552 HydrophobicContact CG2-CD1 3.87Å; V545-K553 VanDerWaalsContact CA-O 3.23Å; V545-K553 WeakPolarHBondContact CA-O 3.3Å; V545-I554 HydrophobicContact CG1-CG1 4.32Å
546	T	97.6	Very high	95.1	Very high	6 Å²	6	53.9 Å²	53.9	4%	0.037	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	138.4	166.8	56.4	0	0	0	0	110.5	L463 K553	L463-T546 HydrophobicContact CD2-CG2 4.36Å; L463-T546 CarbonylContact O-C 3.57Å; L463-T546 VanDerWaalsContact O-CA 3.27Å; L463-T546 WeakPolarHBondContact O-CA 3.43Å; T546-K553 PolarHBondContact N-O 3.12Å
547	L	98.4	Very high	95.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	95.7	175.7	-63.9	-178.5	0	0	0	109	Y462 L463 F464 M510 Y513 W514 W534 V545 L552	Y462-L547 HydrophobicContact CD1-CD1 4.29Å; Y462-L547 HydrophobicContact CD2-CD1 3.73Å; Y462-L547 HydrophobicContact CD2-CG 4.41Å; Y462-L547 HydrophobicContact CE2-CD1 4.45Å; Y462-L547 HydrophobicContact CG-CD1 3.65Å; Y462-L547 HydrophobicContact CG-CG 4.37Å; L463-L547 PolarHBondContact O-N 3.42Å; F464-L547 HydrophobicContact CD2-CB 4.05Å; F464-L547 VanDerWaalsContact CD2-O 3.22Å; F464-L547 WeakPolarHBondContact CD2-O 3.46Å; M510-L547 HydrophobicContact CE-CD1 4.37Å; M510-L547 HydrophobicContact CG-CD1 4.34Å; Y513-L547 HydrophobicContact CD2-CD2 4.16Å; Y513-L547 HydrophobicContact CE2-CD2 3.93Å; W514-L547 HydrophobicContact CH2-CD1 3.79Å; W514-L547 HydrophobicContact CZ3-CD1 3.85Å; W534-L547 HydrophobicContact CH2-CD1 4.23Å; W534-L547 HydrophobicContact CZ3-CD1 4.44Å; W534-L547 HydrophobicContact CZ3-CD2 4.32Å; V545-L547 HydrophobicContact CG2-CD2 4.21Å; L547-L552 HydrophobicContact CD2-CD1 4.16Å
548	N	98.3	Very high	95.1	Very high	14 Å²	14	50.9 Å²	50.9	8%	0.075	27%	0.266	C	S	.	.	S	Bend	trans	-145.6	-168.8	176.5	55.1	32.6	0	0	0	111.4	D465 H466 L506 R509 D550	D465-N548 VanDerWaalsContact OD1-CB 3.23Å; D465-N548 WeakPolarHBondContact OD1-CB 3.2Å; D465-N548 PolarHBondContact OD1-ND2 2.96Å; D465-N548 PolarHBondContact OD2-ND2 3.41Å; H466-N548 HydrophobicContact CB-CB 3.78Å; L506-N548 WeakPolarHBondContact CD1-O 3.45Å; R509-N548 PolarHBondContact NH2-O 3.37Å; N548-D550 PolarHBondContact O-N 2.93Å; N548-D550 VanDerWaalsContact OD1-CB 3.26Å; N548-D550 WeakPolarHBondContact OD1-CB 3.43Å; N548-D550 PolarHBondContact OD1-N 3.32Å
549	T	97.6	Very high	95.2	Very high	62 Å²	62	51.3 Å²	51.3	38%	0.38	26%	0.263	S	S	.	.	S	Bend	trans	-73.4	-10.4	-179.6	47.6	0	0	0	0	114.3	H466 E502 E503 L506	H466-T549 VanDerWaalsContact CE1-CG2 3.48Å; H466-T549 WeakPolarHBondContact CE1-CG2 3.36Å; E502-T549 HydrophobicContact CB-CG2 3.64Å; E503-T549 HydrophobicContact CG-CG2 4.47Å; L506-T549 HydrophobicContact CB-CG2 4.49Å; L506-T549 HydrophobicContact CD2-CG2 4.35Å
550	D	94.6	Very high	95.4	Very high	71 Å²	71	54.6 Å²	54.6	38%	0.38	28%	0.279	S	S	.	.	S	Bend	trans	-76	165	175.9	-76.4	-19.3	0	0	0	112.8	R509 N548 K553	R509-D550 PolarHBondContact NH1-O 3.49Å; R509-D550 PolarHBondContact NH2-O 2.98Å; N548-D550 PolarHBondContact O-N 2.93Å; N548-D550 VanDerWaalsContact OD1-CB 3.26Å; N548-D550 WeakPolarHBondContact OD1-CB 3.43Å; N548-D550 PolarHBondContact OD1-N 3.32Å; D550-K553 IonicContact OD2-NZ 3.05Å; D550-K553 PolarHBondContact OD2-NZ 3.05Å
551	P	91.3	Very high	95.7	Very high	85 Å²	85	53.9 Å²	53.9	55%	0.552	27%	0.27	S	S	*	.	S	Bend	trans	-52.7	144.3	162.5	-24.8	35.1	0	0	0	111.8	K553	P551-K553 PolarHBondContact O-N 3.08Å; P551-K553 VanDerWaalsContact O-N 3.17Å
552	L	91.9	Very high	95.9	Very high	21 Å²	21	51.6 Å²	51.6	11%	0.11	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-54.3	119.2	-178.4	-167	79.8	0	0	0	111	Y513 K532 W534 V545 L547	Y513-L552 HydrophobicContact CE2-CD1 4.39Å; K532-L552 WeakPolarHBondContact O-CD2 3.21Å; W534-L552 HydrophobicContact CB-CD2 4.38Å; V545-L552 HydrophobicContact CB-CD1 3.69Å; V545-L552 HydrophobicContact CB-CG 4.07Å; V545-L552 HydrophobicContact CG1-CD1 4.11Å; V545-L552 HydrophobicContact CG1-CD2 4.04Å; V545-L552 HydrophobicContact CG1-CG 4.05Å; V545-L552 HydrophobicContact CG2-CD1 3.87Å; L547-L552 HydrophobicContact CD2-CD1 4.16Å
553	K	94.9	Very high	96.1	Very high	95 Å²	95	50.6 Å²	50.6	41%	0.413	26%	0.256	S	S	.	.			trans	-105.1	144.1	174.9	-66.8	168.6	-172.8	160.5	0	109.8	V545 T546 D550 P551 H555	V545-K553 VanDerWaalsContact CA-O 3.23Å; V545-K553 WeakPolarHBondContact CA-O 3.3Å; T546-K553 PolarHBondContact N-O 3.12Å; D550-K553 IonicContact OD2-NZ 3.05Å; D550-K553 PolarHBondContact OD2-NZ 3.05Å; P551-K553 PolarHBondContact O-N 3.08Å; P551-K553 VanDerWaalsContact O-N 3.17Å; K553-H555 WeakPolarHBondContact CB-NE2 3.36Å
554	I	95.8	Very high	96.1	Very high	91 Å²	91	50.2 Å²	50.2	47%	0.467	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.3	178.5	-60	170	0	0	0	108.5	P535 K543 H544 V545	P535-I554 HydrophobicContact CG-CD1 4.12Å; P535-I554 HydrophobicContact CG-CG1 4.23Å; P535-I554 HydrophobicContact CG-CG2 3.9Å; K543-I554 HydrophobicContact CB-CG2 4.24Å; K543-I554 HydrophobicContact CD-CG2 4.4Å; K543-I554 HydrophobicContact CG-CG2 4.22Å; H544-I554 WeakPolarHBondContact O-CA 3.47Å; V545-I554 HydrophobicContact CG1-CG1 4.32Å
555	H	96.2	Very high	96.2	Very high	80 Å²	80	50.3 Å²	50.3	37%	0.37	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	170.2	178.2	-62.6	-95.2	0	0	0	109.8	K543 H544 K553	K543-H555 VanDerWaalsContact CA-O 3.25Å; K543-H555 WeakPolarHBondContact CA-O 3.16Å; H544-H555 WeakPolarHBondContact CE1-CB 3.33Å; H544-H555 PolarHBondContact N-O 3.08Å; H544-H555 WeakPolarHBondContact NE2-CB 3.46Å; H544-H555 PolarHBondContact O-N 2.96Å; K553-H555 WeakPolarHBondContact CB-NE2 3.36Å
556	K	96.2	Very high	96.2	Very high	137 Å²	137	50.8 Å²	50.8	60%	0.596	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.3	177	-68.1	-174.4	178.4	-177	0	110.2	Q542 K543	Q542-K556 WeakPolarHBondContact O-CA 3.3Å; K543-K556 HydrophobicContact CG-CG 4.03Å
557	G	94.2	Very high	96.1	Very high	20 Å²	20	53 Å²	53	21%	0.206	28%	0.275	C	S	.	.	S	Bend	trans	65	63.9	171.9	0	0	0	0	0	113.2	Q542 R559 N560	Q542-G557 PolarHBondContact O-N 3.37Å; G557-R559 PolarHBondContact O-N 3.03Å; G557-N560 PolarHBondContact O-N 3.29Å
558	L	96.1	Very high	95.9	Very high	13 Å²	13	61.4 Å²	61.4	7%	0.068	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	112.8	174	-179.9	67.2	0	0	0	110.1	V347 I426 L461 L463 N560	V347-L558 HydrophobicContact CG2-CD2 3.87Å; I426-L558 HydrophobicContact CG2-CD2 4.16Å; I426-L558 HydrophobicContact CG2-CG 4.19Å; L461-L558 HydrophobicContact CD1-CD2 4.41Å; L461-L558 HydrophobicContact CD2-CB 4.33Å; L461-L558 HydrophobicContact CD2-CD2 4.16Å; L461-L558 HydrophobicContact CG-CD2 4.48Å; L463-L558 HydrophobicContact CB-CD1 4.28Å; L463-L558 HydrophobicContact CD1-CD1 4.41Å; L463-L558 HydrophobicContact CD2-CD1 4.22Å; L558-N560 PolarHBondContact O-N 3.03Å
559	R	95.7	Very high	95.9	Very high	56 Å²	56	66.1 Å²	66.1	21%	0.211	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.3	32.9	-178.9	-55.6	-164.3	66.9	115.2	0.2	114.6	D418 D422 I426 G557 Q561 M562 C563	D418-R559 IonicContact OD1-CZ 2.92Å; D418-R559 VanDerWaalsContact OD1-CZ 3.28Å; D418-R559 IonicContact OD1-NH1 3.77Å; D418-R559 PolarHBondContact OD1-NH1 2.89Å; D418-R559 IonicContact OD1-NH2 3.36Å; D418-R559 PolarHBondContact OD1-NH2 2.94Å; D418-R559 VanDerWaalsContact OD1-NH2 3.12Å; D418-R559 IonicContact OD2-CZ 3.82Å; D418-R559 IonicContact OD2-NH1 2.72Å; D418-R559 IonicContact OD2-NH2 3.55Å; D418-R559 PolarHBondContact OD2-NH2 3.18Å; D422-R559 VanDerWaalsContact CG-NE 3.31Å; D422-R559 WeakPolarHBondContact OD1-CD 3.33Å; D422-R559 IonicContact OD1-CZ 2.77Å; D422-R559 IonicContact OD1-NE 3.98Å; D422-R559 PolarHBondContact OD1-NE 3.31Å; D422-R559 IonicContact OD1-NH2 3.37Å; D422-R559 IonicContact OD2-CZ 3.1Å; D422-R559 IonicContact OD2-NE 3.43Å; D422-R559 PolarHBondContact OD2-NE 3.44Å; D422-R559 IonicContact OD2-NH2 3.68Å; D422-R559 PolarHBondContact OD2-NH2 3.43Å; I426-R559 HydrophobicContact CG2-CB 4.26Å; I426-R559 HydrophobicContact CG2-CG 4.19Å; G557-R559 PolarHBondContact O-N 3.03Å; R559-Q561 VanDerWaalsContact C-N 3.26Å; R559-Q561 PolarHBondContact O-N 3.04Å; R559-Q561 VanDerWaalsContact O-N 3.08Å; R559-M562 PolarHBondContact O-N 3.33Å; R559-C563 PolarHBondContact O-N 3.08Å; R559-C563 PolarHBondContact O-SG 2.75Å; R559-C563 VanDerWaalsContact O-SG 3.4Å
560	N	94.2	Very high	95.8	Very high	80 Å²	80	63.4 Å²	63.4	43%	0.428	31%	0.31	S	S	.	.	H	α-helix	trans	-58.2	-33.6	-166.4	-169.6	28.6	0	0	0	113.8	G557 L558 A564	G557-N560 PolarHBondContact O-N 3.29Å; L558-N560 PolarHBondContact O-N 3.03Å; N560-A564 WeakPolarHBondContact O-CB 2.86Å; N560-A564 PolarHBondContact O-N 3.44Å
561	Q	96.5	Very high	95.7	Very high	138 Å²	138	63.2 Å²	63.2	65%	0.645	31%	0.313	S	S	*	.	H	α-helix	trans	-66.7	-50.3	176.7	-173	66.6	10.1	0	0	111.7	R559 C563 A564 F565	R559-Q561 VanDerWaalsContact C-N 3.26Å; R559-Q561 PolarHBondContact O-N 3.04Å; R559-Q561 VanDerWaalsContact O-N 3.08Å; Q561-C563 VanDerWaalsContact C-N 3.32Å; Q561-C563 PolarHBondContact O-N 3.11Å; Q561-A564 PolarHBondContact O-N 3.34Å; Q561-F565 PolarHBondContact O-N 3.37Å
562	M	98.1	Very high	95.8	Very high	32 Å²	32	68 Å²	68	16%	0.158	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-40.5	177.3	-61.8	-53.1	98	0	0	110.8	Q399 Y400 D422 R559 A564 F565 W566	Q399-M562 HydrophobicContact CG-CE 4.25Å; Q399-M562 HydrophobicContact CG-SD 3.97Å; Y400-M562 HydrophobicContact CE1-CG 4.45Å; Y400-M562 HydrophobicContact CE1-SD 3.93Å; Y400-M562 HydrophobicContact CE2-SD 4.24Å; D422-M562 WeakPolarHBondContact OD2-CB 3.41Å; D422-M562 WeakPolarHBondContact OD2-CG 3.28Å; R559-M562 PolarHBondContact O-N 3.33Å; M562-A564 VanDerWaalsContact C-N 3.32Å; M562-A564 PolarHBondContact O-N 3.34Å; M562-F565 WeakPolarHBondContact O-CA 3.33Å; M562-F565 VanDerWaalsContact O-CB 3.26Å; M562-F565 WeakPolarHBondContact O-CB 3.13Å; M562-F565 PolarHBondContact O-N 3.39Å; M562-W566 PolarHBondContact O-N 3.22Å
563	C	98.2	Very high	95.9	Very high	7 Å²	7	68.6 Å²	68.6	5%	0.047	32%	0.323	C	S	.	.	H	α-helix	trans	-73	-23	179.3	-59.1	0	0	0	0	113.8	C427 A430 R559 Q561 F565 N567	C427-C563 WeakPolarHBondContact CA-SG 3.13Å; C427-C563 HydrophobicContact CB-CB 3.63Å; C427-C563 WeakPolarHBondContact CB-SG 3.47Å; C427-C563 WeakPolarHBondContact SG-CA 3.33Å; C427-C563 WeakPolarHBondContact SG-CB 3.21Å; C427-C563 PolarHBondContact SG-N 3.07Å; C427-C563 CovalentContact SG-SG 2.07Å; C427-C563 PolarHBondContact SG-SG 2.03Å; A430-C563 HydrophobicContact CB-CB 4.49Å; R559-C563 PolarHBondContact O-N 3.08Å; R559-C563 PolarHBondContact O-SG 2.75Å; R559-C563 VanDerWaalsContact O-SG 3.4Å; Q561-C563 VanDerWaalsContact C-N 3.32Å; Q561-C563 PolarHBondContact O-N 3.11Å; C563-F565 VanDerWaalsContact C-N 3.33Å; C563-N567 WeakPolarHBondContact O-CB 3.42Å; C563-N567 PolarHBondContact O-N 3.38Å; C563-N567 PolarHBondContact O-ND2 3.05Å
564	A	97.6	Very high	95.7	Very high	37 Å²	37	66.1 Å²	66.1	31%	0.306	31%	0.314	S	S	.	.	H	α-helix	trans	-67.5	-36.6	166.6	0	0	0	0	0	111.6	N560 Q561 M562 R568 F569	N560-A564 WeakPolarHBondContact O-CB 2.86Å; N560-A564 PolarHBondContact O-N 3.44Å; Q561-A564 PolarHBondContact O-N 3.34Å; M562-A564 VanDerWaalsContact C-N 3.32Å; M562-A564 PolarHBondContact O-N 3.34Å; A564-R568 VanDerWaalsContact O-CB 3.29Å; A564-R568 WeakPolarHBondContact O-CB 3.46Å; A564-R568 PolarHBondContact O-N 3.39Å; A564-F569 PolarHBondContact O-N 2.84Å
565	F	98.4	Very high	95.3	Very high	11 Å²	11	67.8 Å²	67.8	5%	0.048	32%	0.324	C	S	.	.	I	π-helix	trans	-62.9	-57.2	172.8	169.2	-94.1	0	0	0	111.1	A395 V396 Q399 Q561 M562 C563 F569 L570	A395-F565 HydrophobicContact CB-CE2 4.03Å; A395-F565 HydrophobicContact CB-CZ 4.26Å; V396-F565 HydrophobicContact CB-CZ 4.37Å; V396-F565 HydrophobicContact CG2-CE1 3.95Å; V396-F565 HydrophobicContact CG2-CZ 3.77Å; Q399-F565 HydrophobicContact CB-CD2 4.31Å; Q399-F565 HydrophobicContact CB-CE2 4.18Å; Q399-F565 HydrophobicContact CB-CZ 4.33Å; Q399-F565 HydrophobicContact CG-CB 4.39Å; Q399-F565 HydrophobicContact CG-CD1 4.22Å; Q399-F565 HydrophobicContact CG-CD2 4.1Å; Q399-F565 HydrophobicContact CG-CE2 4.45Å; Q399-F565 HydrophobicContact CG-CG 3.98Å; Q561-F565 PolarHBondContact O-N 3.37Å; M562-F565 WeakPolarHBondContact O-CA 3.33Å; M562-F565 VanDerWaalsContact O-CB 3.26Å; M562-F565 WeakPolarHBondContact O-CB 3.13Å; M562-F565 PolarHBondContact O-N 3.39Å; C563-F565 VanDerWaalsContact C-N 3.33Å; F565-F569 HydrophobicContact CD2-CB 4.44Å; F565-F569 AromaticContact CD2-CD1 3.66Å; F565-F569 HydrophobicContact CD2-CD1 3.66Å; F565-F569 HydrophobicContact CD2-CE1 4.4Å; F565-F569 HydrophobicContact CD2-CG 4.41Å; F565-F569 AromaticContact CE2-CD1 3.69Å; F565-F569 HydrophobicContact CE2-CD1 3.69Å; F565-F569 HydrophobicContact CE2-CE1 4.09Å; F565-F569 PolarHBondContact O-N 2.96Å; F565-F569 VanDerWaalsContact O-N 3.08Å; F565-L570 HydrophobicContact CE1-CB 4.34Å; F565-L570 HydrophobicContact CE1-CD2 4.23Å; F565-L570 HydrophobicContact CZ-CB 4.24Å; F565-L570 HydrophobicContact CZ-CD1 4.32Å; F565-L570 HydrophobicContact CZ-CD2 4.39Å; F565-L570 PolarHBondContact O-N 3.46Å
566	W	97.8	Very high	94.9	Very high	11 Å²	11	70 Å²	70	4%	0.042	34%	0.337	C	S	.	.	I	π-helix	trans	-66.7	-42.2	-177	-69.1	111.6	0	0	0	114.3	V385 V396 Y400 I419 H423 C427 M562 L570 P571	V385-W566 HydrophobicContact CG1-CZ3 4.25Å; V385-W566 HydrophobicContact CG2-CH2 3.55Å; V385-W566 HydrophobicContact CG2-CZ3 3.75Å; V396-W566 HydrophobicContact CG1-CH2 4.01Å; V396-W566 HydrophobicContact CG1-CZ2 4.25Å; V396-W566 HydrophobicContact CG2-CH2 3.68Å; V396-W566 HydrophobicContact CG2-CZ2 4.43Å; V396-W566 HydrophobicContact CG2-CZ3 4.13Å; Y400-W566 AromaticContact CE2-CZ2 3.77Å; Y400-W566 HydrophobicContact CE2-CZ2 3.77Å; Y400-W566 AromaticContact CE2-NE1 3.79Å; Y400-W566 AromaticContact CZ-NE1 3.67Å; Y400-W566 PolarHBondContact OH-NE1 3.27Å; I419-W566 HydrophobicContact CG2-CH2 4.22Å; I419-W566 HydrophobicContact CG2-CZ2 4.13Å; H423-W566 HydrophobicContact CB-CD2 4.09Å; H423-W566 HydrophobicContact CB-CE3 3.96Å; H423-W566 HydrophobicContact CB-CH2 3.96Å; H423-W566 HydrophobicContact CB-CZ2 4.06Å; H423-W566 HydrophobicContact CB-CZ3 3.89Å; H423-W566 AromaticContact CG-CE3 3.91Å; H423-W566 AromaticContact CG-CZ3 3.76Å; H423-W566 AromaticContact ND1-CE3 3.37Å; H423-W566 AromaticContact ND1-CZ3 3.52Å; C427-W566 HydrophobicContact CB-CB 3.99Å; C427-W566 HydrophobicContact CB-CG 4.44Å; M562-W566 PolarHBondContact O-N 3.22Å; W566-L570 HydrophobicContact CE3-CD2 3.46Å; W566-L570 VanDerWaalsContact CE3-CD2 3.46Å; W566-L570 HydrophobicContact CH2-CD2 4.3Å; W566-L570 HydrophobicContact CZ3-CD2 3.28Å; W566-P571 WeakPolarHBondContact O-CD 3.45Å; W566-P571 WeakPolarHBondContact O-CG 3.34Å
567	N	95.8	Very high	94.4	Very high	52 Å²	52	64.6 Å²	64.6	28%	0.278	32%	0.316	S	S	.	.	I	π-helix	trans	-90.5	-10.9	-172.9	-60.2	-34.9	0	0	0	113.6	C427 C563	C427-N567 PolarHBondContact O-ND2 3.24Å; C427-N567 PolarHBondContact O-OD1 3.45Å; C563-N567 WeakPolarHBondContact O-CB 3.42Å; C563-N567 PolarHBondContact O-N 3.38Å; C563-N567 PolarHBondContact O-ND2 3.05Å
568	R	94.6	Very high	93.1	Very high	177 Å²	177	66.3 Å²	66.3	67%	0.668	33%	0.333	S	S	*	.	I	π-helix	trans	-132.5	-50.8	-175.8	-48	-177	83	-168	5.1	113.7	A564 R572	A564-R568 VanDerWaalsContact O-CB 3.29Å; A564-R568 WeakPolarHBondContact O-CB 3.46Å; A564-R568 PolarHBondContact O-N 3.39Å; R568-R572 WeakPolarHBondContact O-CB 3.49Å
569	F	97.6	Very high	91.3	Very high	112 Å²	112	70.4 Å²	70.4	49%	0.491	36%	0.355	S	S	.	.	I	π-helix	trans	-75.8	-57.5	-173.9	177.3	-98.5	0	0	0	111.7	A395 A564 F565 R572 L573	A395-F569 HydrophobicContact CB-CE1 4.03Å; A564-F569 PolarHBondContact O-N 2.84Å; F565-F569 HydrophobicContact CD2-CB 4.44Å; F565-F569 AromaticContact CD2-CD1 3.66Å; F565-F569 HydrophobicContact CD2-CD1 3.66Å; F565-F569 HydrophobicContact CD2-CE1 4.4Å; F565-F569 HydrophobicContact CD2-CG 4.41Å; F565-F569 AromaticContact CE2-CD1 3.69Å; F565-F569 HydrophobicContact CE2-CD1 3.69Å; F565-F569 HydrophobicContact CE2-CE1 4.09Å; F565-F569 PolarHBondContact O-N 2.96Å; F565-F569 VanDerWaalsContact O-N 3.08Å; F569-R572 PolarHBondContact O-N 3.15Å; F569-R572 VanDerWaalsContact O-N 3.16Å; F569-L573 HydrophobicContact CE1-CD2 3.96Å; F569-L573 HydrophobicContact CZ-CD2 4.32Å; F569-L573 PolarHBondContact O-N 3.27Å
570	L	95.6	Very high	89.6	Confident	5 Å²	5	72.7 Å²	72.7	3%	0.026	37%	0.371	C	S	.	.	H	α-helix	trans	-61.5	-46.4	-173.3	-176.2	67.4	0	0	0	112.9	V385 V396 F565 W566 R572 L573 L574	V385-L570 HydrophobicContact CG1-CD2 4.37Å; V396-L570 HydrophobicContact CG2-CD2 4.21Å; F565-L570 HydrophobicContact CE1-CB 4.34Å; F565-L570 HydrophobicContact CE1-CD2 4.23Å; F565-L570 HydrophobicContact CZ-CB 4.24Å; F565-L570 HydrophobicContact CZ-CD1 4.32Å; F565-L570 HydrophobicContact CZ-CD2 4.39Å; F565-L570 PolarHBondContact O-N 3.46Å; W566-L570 HydrophobicContact CE3-CD2 3.46Å; W566-L570 VanDerWaalsContact CE3-CD2 3.46Å; W566-L570 HydrophobicContact CH2-CD2 4.3Å; W566-L570 HydrophobicContact CZ3-CD2 3.28Å; L570-R572 PolarHBondContact O-N 2.9Å; L570-L573 HydrophobicContact CD1-CD2 4.36Å; L570-L573 WeakPolarHBondContact O-CB 3.02Å; L570-L573 PolarHBondContact O-N 3.34Å; L570-L573 VanDerWaalsContact O-N 3.17Å; L570-L574 HydrophobicContact CD1-CD1 4.49Å; L570-L574 HydrophobicContact CD1-CG 4.26Å; L570-L574 HydrophobicContact CG-CD1 4.2Å; L570-L574 HydrophobicContact CG-CG 4.37Å; L570-L574 WeakPolarHBondContact O-CG 3.39Å; L570-L574 PolarHBondContact O-N 2.75Å
571	P	92.7	Very high	87.9	Confident	68 Å²	68	74.8 Å²	74.8	44%	0.442	38%	0.382	S	S	.	.	H	α-helix	trans	-60.8	-35.4	177.7	-24.1	35	0	0	0	112.3	W566 N575	W566-P571 WeakPolarHBondContact O-CD 3.45Å; W566-P571 WeakPolarHBondContact O-CG 3.34Å; P571-N575 WeakPolarHBondContact O-CB 3.4Å; P571-N575 PolarHBondContact O-N 3.01Å
572	R	93.8	Very high	86.2	Confident	186 Å²	186	73.8 Å²	73.8	70%	0.702	38%	0.377	S	S	*	.	H	α-helix	trans	-72.1	-39.7	178.3	-156.1	178.6	-168.9	-170.8	2.4	111.4	R568 F569 L570 N575 I576	R568-R572 WeakPolarHBondContact O-CB 3.49Å; F569-R572 PolarHBondContact O-N 3.15Å; F569-R572 VanDerWaalsContact O-N 3.16Å; L570-R572 PolarHBondContact O-N 2.9Å; R572-N575 PolarHBondContact O-N 3.17Å; R572-I576 HydrophobicContact CG-CD1 4.28Å; R572-I576 WeakPolarHBondContact O-CD1 3.25Å; R572-I576 VanDerWaalsContact O-CG1 3.24Å; R572-I576 WeakPolarHBondContact O-CG1 3.43Å; R572-I576 PolarHBondContact O-N 3.36Å
573	L	93.7	Very high	84.3	Confident	32 Å²	32	74.7 Å²	74.7	17%	0.168	39%	0.39	C	S	.	.	H	α-helix	trans	-59.4	-50.3	172.7	178.2	65.2	0	0	0	110.6	I391 A395 F569 L570 N575 I576 T577	I391-L573 HydrophobicContact CG1-CD1 4.34Å; I391-L573 HydrophobicContact CG1-CD2 4.48Å; A395-L573 HydrophobicContact CB-CD2 3.81Å; F569-L573 HydrophobicContact CE1-CD2 3.96Å; F569-L573 HydrophobicContact CZ-CD2 4.32Å; F569-L573 PolarHBondContact O-N 3.27Å; L570-L573 HydrophobicContact CD1-CD2 4.36Å; L570-L573 WeakPolarHBondContact O-CB 3.02Å; L570-L573 PolarHBondContact O-N 3.34Å; L570-L573 VanDerWaalsContact O-N 3.17Å; L573-N575 VanDerWaalsContact C-N 3.33Å; L573-N575 PolarHBondContact O-N 3.44Å; L573-I576 PolarHBondContact O-N 3.39Å; L573-T577 HydrophobicContact CD1-CG2 4Å; L573-T577 WeakPolarHBondContact O-CB 3.22Å; L573-T577 WeakPolarHBondContact O-CG2 3.45Å; L573-T577 PolarHBondContact O-N 2.99Å; L573-T577 PolarHBondContact O-OG1 3.28Å
574	L	90.6	Very high	82.7	Confident	43 Å²	43	78.2 Å²	78.2	23%	0.225	41%	0.406	C	S	.	.	H	α-helix	trans	-62.5	-38.2	178.9	-65.8	179.6	0	0	0	112.1	A388 N389 L570 T577 G578	A388-L574 HydrophobicContact CB-CD1 4.43Å; A388-L574 HydrophobicContact CB-CD2 4.01Å; N389-L574 VanDerWaalsContact OD1-CD2 3.31Å; N389-L574 WeakPolarHBondContact OD1-CD2 3.47Å; L570-L574 HydrophobicContact CD1-CD1 4.49Å; L570-L574 HydrophobicContact CD1-CG 4.26Å; L570-L574 HydrophobicContact CG-CD1 4.2Å; L570-L574 HydrophobicContact CG-CG 4.37Å; L570-L574 WeakPolarHBondContact O-CG 3.39Å; L570-L574 PolarHBondContact O-N 2.75Å; L574-T577 PolarHBondContact O-N 2.82Å; L574-G578 WeakPolarHBondContact O-CA 3.31Å; L574-G578 PolarHBondContact O-N 3.41Å
575	N	88	Confident	81.1	Confident	127 Å²	127	85.6 Å²	85.6	68%	0.679	43%	0.426	S	S	*	.	H	α-helix	trans	-66.1	-39.3	175.9	-170.8	22.2	0	0	0	112.6	P571 R572 L573	P571-N575 WeakPolarHBondContact O-CB 3.4Å; P571-N575 PolarHBondContact O-N 3.01Å; R572-N575 PolarHBondContact O-N 3.17Å; L573-N575 VanDerWaalsContact C-N 3.33Å; L573-N575 PolarHBondContact O-N 3.44Å
576	I	88.3	Confident	79.6	Confident	125 Å²	125	90.2 Å²	90.2	64%	0.641	45%	0.447	S	S	*	.	H	α-helix	trans	-71.4	-33.9	178.9	-67.5	164.6	0	0	0	111.4	R572 L573	R572-I576 HydrophobicContact CG-CD1 4.28Å; R572-I576 WeakPolarHBondContact O-CD1 3.25Å; R572-I576 VanDerWaalsContact O-CG1 3.24Å; R572-I576 WeakPolarHBondContact O-CG1 3.43Å; R572-I576 PolarHBondContact O-N 3.36Å; L573-I576 PolarHBondContact O-N 3.39Å
577	T	84.2	Confident	78.7	Confident	25 Å²	25	96.6 Å²	96.6	15%	0.153	47%	0.471	C	S	.	.	H	α-helix	trans	-102.5	-19.8	-170.6	57.5	0	0	0	0	114	N389 I391 L573 L574 N579 I580	N389-T577 WeakPolarHBondContact ND2-CB 3.22Å; N389-T577 PolarHBondContact ND2-OG1 2.81Å; I391-T577 HydrophobicContact CG2-CG2 3.88Å; L573-T577 HydrophobicContact CD1-CG2 4Å; L573-T577 WeakPolarHBondContact O-CB 3.22Å; L573-T577 WeakPolarHBondContact O-CG2 3.45Å; L573-T577 PolarHBondContact O-N 2.99Å; L573-T577 PolarHBondContact O-OG1 3.28Å; L574-T577 PolarHBondContact O-N 2.82Å; T577-N579 PolarHBondContact O-N 3.32Å; T577-I580 WeakPolarHBondContact O-CD1 3.5Å; T577-I580 VanDerWaalsContact O-CG1 3.32Å; T577-I580 WeakPolarHBondContact O-CG1 3.37Å; T577-I580 PolarHBondContact O-N 2.71Å
578	G	67.1	Low	77.6	Confident	56 Å²	56	99 Å²	99	58%	0.577	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-7.6	179.3	0	0	0	0	0	114.5	L574	L574-G578 WeakPolarHBondContact O-CA 3.31Å; L574-G578 PolarHBondContact O-N 3.41Å
579	N	59.9	Low	76.7	Confident	99 Å²	99	94 Å²	94	53%	0.529	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	8.1	179.6	-124	-4.2	0	0	0	113.5	T577 A583	T577-N579 PolarHBondContact O-N 3.32Å; N579-A583 WeakPolarHBondContact O-CB 3.1Å; N579-A583 PolarHBondContact O-N 3.42Å
580	I	58.8	Low	75.9	Confident	103 Å²	103	94.6 Å²	94.6	53%	0.528	47%	0.473	S	S	.	.	H	α-helix	trans	-67.3	-37.1	-176.3	-69.7	170.1	0	0	0	111.5	T577 E582 A583 E584	T577-I580 WeakPolarHBondContact O-CD1 3.5Å; T577-I580 VanDerWaalsContact O-CG1 3.32Å; T577-I580 WeakPolarHBondContact O-CG1 3.37Å; T577-I580 PolarHBondContact O-N 2.71Å; I580-E582 PolarHBondContact O-N 2.76Å; I580-A583 CarbonylContact O-C 3.6Å; I580-A583 PolarHBondContact O-N 3.41Å; I580-E584 WeakPolarHBondContact O-CA 3.36Å; I580-E584 WeakPolarHBondContact O-CB 3.43Å; I580-E584 PolarHBondContact O-N 3.19Å
581	D	59.2	Low	75.3	Confident	124 Å²	124	98.8 Å²	98.8	66%	0.663	49%	0.491	S	S	*	.	H	α-helix	trans	-68.7	-36.8	-179.8	-70.9	-22.7	0	0	0	112.6	R585	D581-R585 WeakPolarHBondContact O-CB 3.23Å; D581-R585 PolarHBondContact O-N 2.79Å
582	E	60.3	Low	74.7	Confident	117 Å²	117	102.1 Å²	102.1	55%	0.547	50%	0.5	S	S	.	.	H	α-helix	trans	-74	-39.6	174.7	-174.7	152.8	-173.2	0	0	111.2	I580 E584 R585 Q586	I580-E582 PolarHBondContact O-N 2.76Å; E582-E584 VanDerWaalsContact C-N 3.34Å; E582-R585 PolarHBondContact O-N 3.44Å; E582-Q586 WeakPolarHBondContact O-CB 3.46Å; E582-Q586 VanDerWaalsContact O-CG 3.28Å; E582-Q586 WeakPolarHBondContact O-CG 3.32Å; E582-Q586 PolarHBondContact O-N 2.82Å
583	A	58.7	Low	73.8	Confident	52 Å²	52	102.1 Å²	102.1	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-39	171.9	0	0	0	0	0	111.9	N579 I580 W587	N579-A583 WeakPolarHBondContact O-CB 3.1Å; N579-A583 PolarHBondContact O-N 3.42Å; I580-A583 CarbonylContact O-C 3.6Å; I580-A583 PolarHBondContact O-N 3.41Å; A583-W587 WeakPolarHBondContact O-CB 3.26Å; A583-W587 PolarHBondContact O-N 3.44Å
584	E	63.5	Low	73.5	Confident	80 Å²	80	107.5 Å²	107.5	37%	0.374	52%	0.518	S	S	.	.	H	α-helix	trans	-71.2	-38.5	176.2	-169.5	-170.3	175.7	0	0	110.3	I580 E582 W587 K588	I580-E584 WeakPolarHBondContact O-CA 3.36Å; I580-E584 WeakPolarHBondContact O-CB 3.43Å; I580-E584 PolarHBondContact O-N 3.19Å; E582-E584 VanDerWaalsContact C-N 3.34Å; E584-W587 PolarHBondContact O-N 2.77Å; E584-K588 HydrophobicContact CG-CD 4.29Å; E584-K588 VanDerWaalsContact O-CB 3.28Å; E584-K588 WeakPolarHBondContact O-CB 2.96Å; E584-K588 VanDerWaalsContact O-CG 3.23Å; E584-K588 WeakPolarHBondContact O-CG 3.15Å; E584-K588 PolarHBondContact O-N 3.06Å; E584-K588 WeakPolarHBondContact OE1-CE 3.33Å; E584-K588 IonicContact OE1-NZ 2.71Å; E584-K588 PolarHBondContact OE1-NZ 3.31Å; E584-K588 IonicContact OE2-NZ 3.09Å
585	R	65.6	Low	73	Confident	192 Å²	192	107.9 Å²	107.9	73%	0.725	53%	0.525	S	S	*	.	H	α-helix	trans	-65.3	-44.7	174	-171.1	178.2	-177.6	-176.6	1	111.3	D581 E582 K588 V589	D581-R585 WeakPolarHBondContact O-CB 3.23Å; D581-R585 PolarHBondContact O-N 2.79Å; E582-R585 PolarHBondContact O-N 3.44Å; R585-K588 PolarHBondContact O-N 3.27Å; R585-V589 VanDerWaalsContact O-CG2 3.26Å; R585-V589 WeakPolarHBondContact O-CG2 2.92Å; R585-V589 PolarHBondContact O-N 3.01Å
586	Q	66.9	Low	72.5	Confident	108 Å²	108	105.5 Å²	105.5	51%	0.505	52%	0.518	S	S	.	.	H	α-helix	trans	-62.9	-46	173.9	-74.9	-179.2	0.5	0	0	110.7	E582 K588 V589 E590	E582-Q586 WeakPolarHBondContact O-CB 3.46Å; E582-Q586 VanDerWaalsContact O-CG 3.28Å; E582-Q586 WeakPolarHBondContact O-CG 3.32Å; E582-Q586 PolarHBondContact O-N 2.82Å; Q586-K588 PolarHBondContact O-N 3.34Å; Q586-V589 PolarHBondContact O-N 3.45Å; Q586-E590 WeakPolarHBondContact O-CB 3.38Å; Q586-E590 WeakPolarHBondContact O-CG 3.43Å; Q586-E590 PolarHBondContact O-N 2.8Å
587	W	78.1	Confident	72.2	Confident	145 Å²	145	106.3 Å²	106.3	55%	0.549	51%	0.514	S	S	.	.	H	α-helix	trans	-59.9	-44.4	175.3	179.7	86.1	0	0	0	112	A583 E584 V589 E590 F591	A583-W587 WeakPolarHBondContact O-CB 3.26Å; A583-W587 PolarHBondContact O-N 3.44Å; E584-W587 PolarHBondContact O-N 2.77Å; W587-V589 VanDerWaalsContact C-N 3.32Å; W587-V589 PolarHBondContact O-N 3.42Å; W587-E590 PolarHBondContact O-N 2.82Å; W587-F591 HydrophobicContact CD2-CB 4.5Å; W587-F591 HydrophobicContact CH2-CD2 4.28Å; W587-F591 HydrophobicContact CH2-CG 4.21Å; W587-F591 HydrophobicContact CZ2-CB 4.42Å; W587-F591 AromaticContact CZ2-CD2 3.96Å; W587-F591 HydrophobicContact CZ2-CD2 3.96Å; W587-F591 HydrophobicContact CZ2-CG 4.22Å; W587-F591 WeakPolarHBondContact O-CB 3.39Å; W587-F591 PolarHBondContact O-N 3.18Å
588	K	72.9	Confident	72.1	Confident	102 Å²	102	108.1 Å²	108.1	44%	0.443	52%	0.522	S	S	.	.	H	α-helix	trans	-60.3	-42	175.9	-79.8	171.4	-178.5	161.9	0	111.4	E584 R585 Q586 H592	E584-K588 HydrophobicContact CG-CD 4.29Å; E584-K588 VanDerWaalsContact O-CB 3.28Å; E584-K588 WeakPolarHBondContact O-CB 2.96Å; E584-K588 VanDerWaalsContact O-CG 3.23Å; E584-K588 WeakPolarHBondContact O-CG 3.15Å; E584-K588 PolarHBondContact O-N 3.06Å; E584-K588 WeakPolarHBondContact OE1-CE 3.33Å; E584-K588 IonicContact OE1-NZ 2.71Å; E584-K588 PolarHBondContact OE1-NZ 3.31Å; E584-K588 IonicContact OE2-NZ 3.09Å; R585-K588 PolarHBondContact O-N 3.27Å; Q586-K588 PolarHBondContact O-N 3.34Å; K588-H592 WeakPolarHBondContact O-CB 3.48Å; K588-H592 PolarHBondContact O-N 3.41Å
589	V	76	Confident	72.7	Confident	72 Å²	72	112.2 Å²	112.2	44%	0.436	53%	0.527	S	S	.	.	H	α-helix	trans	-66.3	-46.4	176.6	169.6	0	0	0	0	111.3	R585 Q586 W587 H592 R593	R585-V589 VanDerWaalsContact O-CG2 3.26Å; R585-V589 WeakPolarHBondContact O-CG2 2.92Å; R585-V589 PolarHBondContact O-N 3.01Å; Q586-V589 PolarHBondContact O-N 3.45Å; W587-V589 VanDerWaalsContact C-N 3.32Å; W587-V589 PolarHBondContact O-N 3.42Å; V589-H592 PolarHBondContact O-N 3.4Å; V589-R593 WeakPolarHBondContact O-CG 3.38Å; V589-R593 PolarHBondContact O-N 2.81Å
590	E	79.4	Confident	73.5	Confident	126 Å²	126	112.9 Å²	112.9	59%	0.589	53%	0.527	S	S	*	.	H	α-helix	trans	-65.5	-41.1	177.8	-73.3	-173.3	171.5	0	0	112	Q586 W587 R593 W594	Q586-E590 WeakPolarHBondContact O-CB 3.38Å; Q586-E590 WeakPolarHBondContact O-CG 3.43Å; Q586-E590 PolarHBondContact O-N 2.8Å; W587-E590 PolarHBondContact O-N 2.82Å; E590-R593 WeakPolarHBondContact O-CB 3.47Å; E590-R593 PolarHBondContact O-N 2.94Å; E590-W594 WeakPolarHBondContact O-CB 3.27Å; E590-W594 PolarHBondContact O-N 3.22Å
591	F	83.8	Confident	74.7	Confident	92 Å²	92	113.6 Å²	113.6	40%	0.404	52%	0.523	S	S	.	.	H	α-helix	trans	-63.5	-41.8	175.5	-176.5	-99	0	0	0	111.5	W587 W594 S595	W587-F591 HydrophobicContact CD2-CB 4.5Å; W587-F591 HydrophobicContact CH2-CD2 4.28Å; W587-F591 HydrophobicContact CH2-CG 4.21Å; W587-F591 HydrophobicContact CZ2-CB 4.42Å; W587-F591 AromaticContact CZ2-CD2 3.96Å; W587-F591 HydrophobicContact CZ2-CD2 3.96Å; W587-F591 HydrophobicContact CZ2-CG 4.22Å; W587-F591 WeakPolarHBondContact O-CB 3.39Å; W587-F591 PolarHBondContact O-N 3.18Å; F591-W594 HydrophobicContact CD2-CE3 4.32Å; F591-W594 HydrophobicContact CE2-CE3 4.17Å; F591-W594 HydrophobicContact CE2-CZ3 4.13Å; F591-W594 PolarHBondContact O-N 3.03Å; F591-S595 VanDerWaalsContact O-CB 3.27Å; F591-S595 WeakPolarHBondContact O-CB 3.47Å; F591-S595 PolarHBondContact O-N 2.65Å
592	H	79.5	Confident	76	Confident	138 Å²	138	113.9 Å²	113.9	64%	0.639	52%	0.518	S	S	*	.	H	α-helix	trans	-61.4	-43.1	172.6	-105.4	51.4	0	0	0	112.3	K588 V589 S596	K588-H592 WeakPolarHBondContact O-CB 3.48Å; K588-H592 PolarHBondContact O-N 3.41Å; V589-H592 PolarHBondContact O-N 3.4Å; H592-S596 WeakPolarHBondContact O-CB 3.28Å; H592-S596 PolarHBondContact O-N 3.45Å; H592-S596 PolarHBondContact O-OG 3.42Å
593	R	74.9	Confident	77	Confident	187 Å²	187	111.7 Å²	111.7	71%	0.706	52%	0.516	S	S	*	.	H	α-helix	trans	-62.8	-46.4	175.6	-75.7	178.1	174.7	-179.2	-0.5	111.7	V589 E590 S596 Y597	V589-R593 WeakPolarHBondContact O-CG 3.38Å; V589-R593 PolarHBondContact O-N 2.81Å; E590-R593 WeakPolarHBondContact O-CB 3.47Å; E590-R593 PolarHBondContact O-N 2.94Å; R593-S596 PolarHBondContact O-N 3.38Å; R593-Y597 WeakPolarHBondContact O-CB 3.03Å; R593-Y597 PolarHBondContact O-N 2.84Å
594	W	86.8	Confident	78.2	Confident	144 Å²	144	114.1 Å²	114.1	55%	0.545	52%	0.519	S	S	.	.	H	α-helix	trans	-62.3	-45.5	177.8	176.3	84.2	0	0	0	111.8	E590 F591 S596 Y597 M598	E590-W594 WeakPolarHBondContact O-CB 3.27Å; E590-W594 PolarHBondContact O-N 3.22Å; F591-W594 HydrophobicContact CD2-CE3 4.32Å; F591-W594 HydrophobicContact CE2-CE3 4.17Å; F591-W594 HydrophobicContact CE2-CZ3 4.13Å; F591-W594 PolarHBondContact O-N 3.03Å; W594-S596 VanDerWaalsContact C-N 3.33Å; W594-S596 PolarHBondContact O-N 2.98Å; W594-Y597 CarbonylContact O-C 3.49Å; W594-Y597 WeakPolarHBondContact O-CB 3.43Å; W594-Y597 PolarHBondContact O-N 3.4Å; W594-M598 HydrophobicContact CD2-CG 3.89Å; W594-M598 VanDerWaalsContact CE2-CG 3.47Å; W594-M598 HydrophobicContact CE3-CG 4.28Å; W594-M598 HydrophobicContact CG-CG 4.48Å; W594-M598 HydrophobicContact CH2-CG 3.96Å; W594-M598 HydrophobicContact CZ2-CG 3.53Å; W594-M598 HydrophobicContact CZ2-SD 4.06Å; W594-M598 HydrophobicContact CZ3-CG 4.32Å; W594-M598 WeakPolarHBondContact O-CG 3.32Å; W594-M598 PolarHBondContact O-N 2.73Å
595	S	82	Confident	79	Confident	52 Å²	52	115 Å²	115	36%	0.364	52%	0.522	S	S	.	.	H	α-helix	trans	-59	-44	176.9	177.8	0	0	0	0	112	F591 M598 M599	F591-S595 VanDerWaalsContact O-CB 3.27Å; F591-S595 WeakPolarHBondContact O-CB 3.47Å; F591-S595 PolarHBondContact O-N 2.65Å; S595-M598 PolarHBondContact O-N 2.86Å; S595-M599 PolarHBondContact O-N 2.78Å
596	S	77.4	Confident	79.9	Confident	76 Å²	76	109 Å²	109	53%	0.531	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-43.1	175.6	-54.7	0	0	0	0	111.8	H592 R593 W594 M599 H600	H592-S596 WeakPolarHBondContact O-CB 3.28Å; H592-S596 PolarHBondContact O-N 3.45Å; H592-S596 PolarHBondContact O-OG 3.42Å; R593-S596 PolarHBondContact O-N 3.38Å; W594-S596 VanDerWaalsContact C-N 3.33Å; W594-S596 PolarHBondContact O-N 2.98Å; S596-M599 PolarHBondContact O-N 3.17Å; S596-H600 PolarHBondContact O-N 3.15Å
597	Y	80.9	Confident	80.3	Confident	142 Å²	142	109 Å²	109	56%	0.557	50%	0.504	S	S	*	.	H	α-helix	trans	-61.7	-42.5	174.3	174.7	-95.9	0	0	0	112	R593 W594 M599 H600 W601	R593-Y597 WeakPolarHBondContact O-CB 3.03Å; R593-Y597 PolarHBondContact O-N 2.84Å; W594-Y597 CarbonylContact O-C 3.49Å; W594-Y597 WeakPolarHBondContact O-CB 3.43Å; W594-Y597 PolarHBondContact O-N 3.4Å; Y597-M599 VanDerWaalsContact C-N 3.33Å; Y597-M599 PolarHBondContact O-N 3.47Å; Y597-H600 WeakPolarHBondContact O-CB 3.36Å; Y597-H600 PolarHBondContact O-N 3.18Å; Y597-H600 VanDerWaalsContact O-N 3.15Å; Y597-W601 HydrophobicContact CE1-CB 4.35Å; Y597-W601 WeakPolarHBondContact O-CB 3.49Å; Y597-W601 PolarHBondContact O-N 3.06Å
598	M	82	Confident	80.2	Confident	64 Å²	64	110.2 Å²	110.2	32%	0.315	51%	0.509	S	S	.	.	H	α-helix	trans	-64.7	-35.3	178.9	-75.6	-56.2	-57.1	0	0	112.9	W594 S595 W601 K602	W594-M598 HydrophobicContact CD2-CG 3.89Å; W594-M598 VanDerWaalsContact CE2-CG 3.47Å; W594-M598 HydrophobicContact CE3-CG 4.28Å; W594-M598 HydrophobicContact CG-CG 4.48Å; W594-M598 HydrophobicContact CH2-CG 3.96Å; W594-M598 HydrophobicContact CZ2-CG 3.53Å; W594-M598 HydrophobicContact CZ2-SD 4.06Å; W594-M598 HydrophobicContact CZ3-CG 4.32Å; W594-M598 WeakPolarHBondContact O-CG 3.32Å; W594-M598 PolarHBondContact O-N 2.73Å; S595-M598 PolarHBondContact O-N 2.86Å; M598-W601 HydrophobicContact CE-CE3 4.07Å; M598-K602 VanDerWaalsContact O-CB 3.25Å; M598-K602 WeakPolarHBondContact O-CB 3.46Å; M598-K602 PolarHBondContact O-N 3.26Å
599	M	80.4	Confident	80.2	Confident	141 Å²	141	108.6 Å²	108.6	70%	0.695	51%	0.51	S	S	*	.	H	α-helix	trans	-64	-42.8	171.8	-72.3	-115.6	-72.5	0	0	111.7	S595 S596 Y597 K602 S603	S595-M599 PolarHBondContact O-N 2.78Å; S596-M599 PolarHBondContact O-N 3.17Å; Y597-M599 VanDerWaalsContact C-N 3.33Å; Y597-M599 PolarHBondContact O-N 3.47Å; M599-K602 PolarHBondContact O-N 2.81Å; M599-S603 PolarHBondContact O-N 3.09Å
600	H	76.5	Confident	79.9	Confident	114 Å²	114	113 Å²	113	53%	0.528	52%	0.524	S	S	.	.	H	α-helix	trans	-65.5	-46.5	175.8	-174.8	66.6	0	0	0	111.8	S596 Y597 K602 S603 Q604	S596-H600 PolarHBondContact O-N 3.15Å; Y597-H600 WeakPolarHBondContact O-CB 3.36Å; Y597-H600 PolarHBondContact O-N 3.18Å; Y597-H600 VanDerWaalsContact O-N 3.15Å; H600-K602 VanDerWaalsContact C-N 3.32Å; H600-K602 PolarHBondContact O-N 3.05Å; H600-S603 WeakPolarHBondContact O-CB 3.42Å; H600-S603 PolarHBondContact O-N 3.43Å; H600-Q604 WeakPolarHBondContact O-CG 3.47Å; H600-Q604 PolarHBondContact O-N 3.31Å
601	W	84.7	Confident	79.1	Confident	118 Å²	118	112.4 Å²	112.4	45%	0.447	52%	0.521	S	S	.	.	H	α-helix	trans	-57.7	-45	175.5	-178.2	90	0	0	0	111.4	Y597 M598 S603 Q604 F605	Y597-W601 HydrophobicContact CE1-CB 4.35Å; Y597-W601 WeakPolarHBondContact O-CB 3.49Å; Y597-W601 PolarHBondContact O-N 3.06Å; M598-W601 HydrophobicContact CE-CE3 4.07Å; W601-S603 VanDerWaalsContact C-N 3.35Å; W601-S603 PolarHBondContact O-N 3.4Å; W601-Q604 PolarHBondContact O-N 3.41Å; W601-F605 HydrophobicContact CE3-CB 4.38Å; W601-F605 HydrophobicContact CH2-CB 4.26Å; W601-F605 AromaticContact CH2-CD2 3.94Å; W601-F605 HydrophobicContact CH2-CD2 3.94Å; W601-F605 HydrophobicContact CH2-CG 4.04Å; W601-F605 HydrophobicContact CZ2-CB 4.46Å; W601-F605 HydrophobicContact CZ2-CD2 4.07Å; W601-F605 HydrophobicContact CZ2-CG 4.44Å; W601-F605 HydrophobicContact CZ3-CB 4.22Å; W601-F605 HydrophobicContact CZ3-CG 4.31Å; W601-F605 VanDerWaalsContact O-CB 3.32Å; W601-F605 WeakPolarHBondContact O-CB 3.35Å; W601-F605 PolarHBondContact O-N 2.99Å
602	K	85.6	Confident	78	Confident	129 Å²	129	116.6 Å²	116.6	56%	0.561	54%	0.542	S	S	*	.	H	α-helix	trans	-60.5	-43.5	176.2	-177.9	171.4	-178.8	168.4	0	111.7	M598 M599 H600 Q604 F605 D606	M598-K602 VanDerWaalsContact O-CB 3.25Å; M598-K602 WeakPolarHBondContact O-CB 3.46Å; M598-K602 PolarHBondContact O-N 3.26Å; M599-K602 PolarHBondContact O-N 2.81Å; H600-K602 VanDerWaalsContact C-N 3.32Å; H600-K602 PolarHBondContact O-N 3.05Å; K602-Q604 PolarHBondContact O-N 3.39Å; K602-F605 PolarHBondContact O-N 3.25Å; K602-D606 WeakPolarHBondContact O-CB 3.3Å; K602-D606 VanDerWaalsContact O-CG 3.23Å; K602-D606 PolarHBondContact O-N 3.47Å
603	S	81.8	Confident	77	Confident	71 Å²	71	121.1 Å²	121.1	50%	0.497	55%	0.553	S	S	.	*	H	α-helix	trans	-63.1	-40.7	175.3	176.6	0	0	0	0	112.6	M599 H600 W601 H607	M599-S603 PolarHBondContact O-N 3.09Å; H600-S603 WeakPolarHBondContact O-CB 3.42Å; H600-S603 PolarHBondContact O-N 3.43Å; W601-S603 VanDerWaalsContact C-N 3.35Å; W601-S603 PolarHBondContact O-N 3.4Å; S603-H607 WeakPolarHBondContact O-CB 3.27Å; S603-H607 PolarHBondContact O-N 3.19Å
604	Q	83.1	Confident	76.2	Confident	103 Å²	103	118.4 Å²	118.4	48%	0.481	56%	0.562	S	S	.	*	H	α-helix	trans	-66.9	-41	176	-69.6	-66.4	-44.5	0	0	111.5	H600 W601 K602 H607 Y608	H600-Q604 WeakPolarHBondContact O-CG 3.47Å; H600-Q604 PolarHBondContact O-N 3.31Å; W601-Q604 PolarHBondContact O-N 3.41Å; K602-Q604 PolarHBondContact O-N 3.39Å; Q604-H607 PolarHBondContact O-N 2.76Å; Q604-Y608 WeakPolarHBondContact O-CB 3.38Å; Q604-Y608 PolarHBondContact O-N 3.31Å
605	F	81.3	Confident	74.8	Confident	100 Å²	100	117.5 Å²	117.5	44%	0.439	57%	0.572	S	S	.	*	H	α-helix	trans	-65.8	-42.8	175.6	-178.1	-93.3	0	0	0	111.9	W601 K602 H607 Y608 S609	W601-F605 HydrophobicContact CE3-CB 4.38Å; W601-F605 HydrophobicContact CH2-CB 4.26Å; W601-F605 AromaticContact CH2-CD2 3.94Å; W601-F605 HydrophobicContact CH2-CD2 3.94Å; W601-F605 HydrophobicContact CH2-CG 4.04Å; W601-F605 HydrophobicContact CZ2-CB 4.46Å; W601-F605 HydrophobicContact CZ2-CD2 4.07Å; W601-F605 HydrophobicContact CZ2-CG 4.44Å; W601-F605 HydrophobicContact CZ3-CB 4.22Å; W601-F605 HydrophobicContact CZ3-CG 4.31Å; W601-F605 VanDerWaalsContact O-CB 3.32Å; W601-F605 WeakPolarHBondContact O-CB 3.35Å; W601-F605 PolarHBondContact O-N 2.99Å; K602-F605 PolarHBondContact O-N 3.25Å; F605-H607 VanDerWaalsContact C-N 3.28Å; F605-H607 PolarHBondContact O-N 2.8Å; F605-Y608 PolarHBondContact O-N 2.95Å; F605-S609 VanDerWaalsContact O-CB 3.27Å; F605-S609 WeakPolarHBondContact O-CB 3.33Å; F605-S609 PolarHBondContact O-N 2.79Å; F605-S609 PolarHBondContact O-OG 2.91Å
606	D	82.9	Confident	73	Confident	64 Å²	64	122.8 Å²	122.8	34%	0.342	60%	0.596	S	S	.	*	H	α-helix	trans	-64.6	-34.6	174.5	-73.5	-16	0	0	0	111.2	K602 S609 K610	K602-D606 WeakPolarHBondContact O-CB 3.3Å; K602-D606 VanDerWaalsContact O-CG 3.23Å; K602-D606 PolarHBondContact O-N 3.47Å; D606-S609 VanDerWaalsContact CA-OG 3.3Å; D606-S609 WeakPolarHBondContact CA-OG 3.25Å; D606-S609 PolarHBondContact O-OG 3.5Å; D606-K610 VanDerWaalsContact O-CB 3.29Å; D606-K610 WeakPolarHBondContact O-CB 3.44Å; D606-K610 WeakPolarHBondContact O-CD 3.29Å; D606-K610 WeakPolarHBondContact O-CG 3.19Å; D606-K610 PolarHBondContact O-N 3.21Å
607	H	77.3	Confident	71.1	Confident	110 Å²	110	130.9 Å²	130.9	51%	0.509	63%	0.632	S	S	.	*	H	α-helix	trans	-68.9	-48.1	173.4	-171.6	64.8	0	0	0	111.7	S603 Q604 F605 S609 K610 Q611	S603-H607 WeakPolarHBondContact O-CB 3.27Å; S603-H607 PolarHBondContact O-N 3.19Å; Q604-H607 PolarHBondContact O-N 2.76Å; F605-H607 VanDerWaalsContact C-N 3.28Å; F605-H607 PolarHBondContact O-N 2.8Å; H607-S609 PolarHBondContact O-N 3.36Å; H607-K610 PolarHBondContact O-N 2.84Å; H607-Q611 PolarHBondContact NE2-NE2 3.02Å; H607-Q611 PolarHBondContact O-N 3.45Å
608	Y	74.7	Confident	70.7	Confident	170 Å²	170	130.3 Å²	130.3	67%	0.667	64%	0.636	S	S	*	*	H	α-helix	trans	-60.9	-42.4	176.9	175	-100.8	0	0	0	112.3	Q604 F605 K610 Q611	Q604-Y608 WeakPolarHBondContact O-CB 3.38Å; Q604-Y608 PolarHBondContact O-N 3.31Å; F605-Y608 PolarHBondContact O-N 2.95Å; Y608-K610 VanDerWaalsContact C-N 3.28Å; Y608-K610 PolarHBondContact O-N 2.81Å; Y608-Q611 PolarHBondContact O-N 3.35Å
609	S	73.5	Confident	70.1	Confident	67 Å²	67	133.8 Å²	133.8	47%	0.469	65%	0.653	S	S	.	*	H	α-helix	trans	-72.7	-19.7	179.6	56.3	0	0	0	0	113.8	F605 D606 H607	F605-S609 VanDerWaalsContact O-CB 3.27Å; F605-S609 WeakPolarHBondContact O-CB 3.33Å; F605-S609 PolarHBondContact O-N 2.79Å; F605-S609 PolarHBondContact O-OG 2.91Å; D606-S609 VanDerWaalsContact CA-OG 3.3Å; D606-S609 WeakPolarHBondContact CA-OG 3.25Å; D606-S609 PolarHBondContact O-OG 3.5Å; H607-S609 PolarHBondContact O-N 3.36Å
610	K	70.3	Confident	69.5	Low	166 Å²	166	133.4 Å²	133.4	72%	0.722	65%	0.65	S	S	*	*	H	α-helix	trans	-97.5	-9.3	174.8	-70.9	176.1	-176.4	175.9	0	114	D606 H607 Y608 E612	D606-K610 VanDerWaalsContact O-CB 3.29Å; D606-K610 WeakPolarHBondContact O-CB 3.44Å; D606-K610 WeakPolarHBondContact O-CD 3.29Å; D606-K610 WeakPolarHBondContact O-CG 3.19Å; D606-K610 PolarHBondContact O-N 3.21Å; H607-K610 PolarHBondContact O-N 2.84Å; Y608-K610 VanDerWaalsContact C-N 3.28Å; Y608-K610 PolarHBondContact O-N 2.81Å; K610-E612 PolarHBondContact O-N 2.78Å; K610-E612 VanDerWaalsContact O-N 3.1Å
611	Q	62	Low	69.1	Low	113 Å²	113	134.5 Å²	134.5	53%	0.528	66%	0.658	S	S	.	*	S	Bend	trans	-66.7	109.8	165.4	-81.1	-178.7	-12.2	0	0	107.2	H607 Y608 R613	H607-Q611 PolarHBondContact NE2-NE2 3.02Å; H607-Q611 PolarHBondContact O-N 3.45Å; Y608-Q611 PolarHBondContact O-N 3.35Å; Q611-R613 PolarHBondContact O-N 3.12Å; Q611-R613 VanDerWaalsContact O-N 3.12Å
612	E	60.1	Low	68.1	Low	180 Å²	180	135.6 Å²	135.6	84%	0.841	67%	0.671	S	S	*	*			trans	-47.7	121.5	170.3	-76.3	178.8	152.5	0	0	108.4	K610 C614	K610-E612 PolarHBondContact O-N 2.78Å; K610-E612 VanDerWaalsContact O-N 3.1Å; E612-C614 PolarHBondContact O-N 3.1Å; E612-C614 VanDerWaalsContact O-N 3.09Å
613	R	59.4	Low	66.9	Low	233 Å²	233	136 Å²	136	88%	0.879	68%	0.678	S	S	*	*			trans	-50.6	122.2	163.5	-78.5	-179.3	178.6	179.1	-0.4	106.2	Q611 T615	Q611-R613 PolarHBondContact O-N 3.12Å; Q611-R613 VanDerWaalsContact O-N 3.12Å; R613-T615 PolarHBondContact O-N 3.21Å
614	C	58.5	Low	65.9	Low	130 Å²	130	140.6 Å²	140.6	88%	0.878	69%	0.691	S	S	*	*			trans	-45.7	100.1	172.9	-57.5	0	0	0	0	109.8	E612	E612-C614 PolarHBondContact O-N 3.1Å; E612-C614 VanDerWaalsContact O-N 3.09Å
615	T	56.4	Low	64.5	Low	125 Å²	125	143.5 Å²	143.5	77%	0.767	71%	0.707	S	S	*	*			trans	-92.9	87.7	153.7	45	0	0	0	0	105.4	R613	R613-T615 PolarHBondContact O-N 3.21Å
616	D	44.8	Very low	63.2	Low	162 Å²	162	147.2 Å²	147.2	87%	0.866	73%	0.73	S	S	*	*			trans	-169.1	80.2	149.3	-88	-20.9	0	0	0	107.9
617	L	38	Very low	61.4	Low	246 Å²	246	154.7 Å²	154.7	100%	1.288	77%	0.765	S	S	*	*			trans	-109	0	132.4	-116.9	173.3	0	0	0	106.3

Retrieved 617 of 617 residues in 338.7 ms (Link to these results)

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