A0A087XCV2_POEFO Loading...

Leukotriene A(4) hydrolase

AlphaFold DB , UniProt , Accession A0A087XCV2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 614 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	62.1	Low	90.2	Very high	163 Å²	163	44.2 Å²	44.2	80%	0.803	26%	0.259	S	S	*	.				0	126.2	0	-162.1	-179.4	-81.4	0	0	106.2	F10 T417	M1-F10 WeakPolarHBondContact O-CE2 3.47Å; M1-F10 WeakPolarHBondContact O-CZ 3.44Å; M1-T417 HydrophobicContact SD-CG2 3.99Å
2	S	86.4	Confident	90.6	Very high	89 Å²	89	43.2 Å²	43.2	62%	0.622	25%	0.254	S	S	*	.			trans	-115.3	152.4	-178.6	50.2	0	0	0	0	109.2
3	D	95.3	Very high	91.1	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.027	24%	0.236	C	C	.	.			trans	-83.4	115.5	169.5	-175.9	-19.7	0	0	0	108.4	C5 S6 F10 T146 T307	D3-C5 PolarHBondContact O-N 3.19Å; D3-C5 WeakPolarHBondContact OD1-CB 3.43Å; D3-C5 PolarHBondContact OD1-N 2.86Å; D3-S6 PolarHBondContact O-N 3.18Å; D3-F10 HydrophobicContact CB-CE1 4.02Å; D3-T146 VanDerWaalsContact OD2-CB 3.25Å; D3-T146 WeakPolarHBondContact OD2-CB 3.37Å; D3-T146 PolarHBondContact OD2-OG1 3.39Å; D3-T307 HydrophobicContact CB-CG2 4.01Å
4	P	95.9	Very high	91.6	Very high	11 Å²	11	40 Å²	40	7%	0.071	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.6	-177.5	26.7	-34.4	0	0	0	113.3	K79 E309 L366	P4-K79 WeakPolarHBondContact O-CE 3.35Å; P4-K79 PolarHBondContact O-NZ 3.24Å; P4-E309 HydrophobicContact CG-CG 4.41Å; P4-L366 HydrophobicContact CG-CB 4.14Å
5	C	96.6	Very high	92	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-2	-176.8	-53.4	0	0	0	0	113.5	D3 R138 P371	D3-C5 PolarHBondContact O-N 3.19Å; D3-C5 WeakPolarHBondContact OD1-CB 3.43Å; D3-C5 PolarHBondContact OD1-N 2.86Å; C5-R138 VanDerWaalsContact O-CZ 3.3Å; C5-R138 PolarHBondContact O-NH1 2.89Å; C5-R138 PolarHBondContact O-NH2 2.9Å; C5-P371 HydrophobicContact CB-CG 4.08Å; C5-P371 WeakPolarHBondContact SG-CG 3.35Å
6	S	97.4	Very high	92.5	Very high	14 Å²	14	39.8 Å²	39.8	10%	0.098	23%	0.225	C	C	.	.			trans	-128.8	145.4	-178.3	172.9	0	0	0	0	111.2	D3 S8 D52	D3-S6 PolarHBondContact O-N 3.18Å; S6-S8 VanDerWaalsContact C-N 3.34Å; S6-S8 WeakPolarHBondContact OG-CB 3.44Å; S6-S8 PolarHBondContact OG-N 2.96Å; S6-D52 WeakPolarHBondContact CA-OD1 3.33Å; S6-D52 PolarHBondContact OG-OD1 3.43Å; S6-D52 PolarHBondContact OG-OD2 2.87Å
7	F	96.8	Very high	92.8	Very high	61 Å²	61	40.7 Å²	40.7	27%	0.268	23%	0.227	S	C	.	.	S	Bend	trans	-81.1	-21	167.7	-61	-70.3	0	0	0	112.3	T50 D52 H76 K79 P82	F7-T50 HydrophobicContact CB-CG2 4.07Å; F7-D52 WeakPolarHBondContact CD2-OD1 3.36Å; F7-D52 PolarHBondContact N-OD1 3.36Å; F7-H76 HydrophobicContact CE1-CB 4.46Å; F7-H76 HydrophobicContact CZ-CB 3.69Å; F7-K79 HydrophobicContact CD2-CB 4.32Å; F7-K79 HydrophobicContact CE1-CB 4.41Å; F7-K79 HydrophobicContact CE1-CD 4.41Å; F7-K79 HydrophobicContact CE2-CB 3.52Å; F7-K79 HydrophobicContact CZ-CB 3.59Å; F7-K79 HydrophobicContact CZ-CD 4.38Å; F7-P82 HydrophobicContact CB-CB 3.87Å; F7-P82 HydrophobicContact CD1-CB 4.17Å; F7-P82 HydrophobicContact CD1-CG 4.24Å; F7-P82 HydrophobicContact CD2-CB 4.01Å; F7-P82 HydrophobicContact CD2-CG 4.48Å; F7-P82 HydrophobicContact CE1-CG 4.38Å; F7-P82 HydrophobicContact CG-CB 3.77Å; F7-P82 HydrophobicContact CG-CG 4.28Å
8	S	92.1	Very high	93.2	Very high	7 Å²	7	38.4 Å²	38.4	5%	0.049	22%	0.215	C	C	.	.	S	Bend	trans	-75.3	141.8	-176.1	-55	0	0	0	0	110.8	S6 T50 D52 Q144	S6-S8 VanDerWaalsContact C-N 3.34Å; S6-S8 WeakPolarHBondContact OG-CB 3.44Å; S6-S8 PolarHBondContact OG-N 2.96Å; S8-T50 PolarHBondContact OG-O 2.9Å; S8-D52 WeakPolarHBondContact CB-OD2 3.43Å; S8-D52 PolarHBondContact OG-N 2.8Å; S8-D52 PolarHBondContact OG-OD2 2.81Å; S8-Q144 WeakPolarHBondContact OG-CA 3.4Å
9	S	88.3	Confident	93.5	Very high	45 Å²	45	38.3 Å²	38.3	32%	0.315	21%	0.213	S	C	.	.			trans	-100.8	119	175.5	-178.3	0	0	0	0	111.2	S11 Q144	S9-S11 VanDerWaalsContact C-N 3.27Å; S9-S11 PolarHBondContact OG-N 3Å; S9-S11 PolarHBondContact OG-OG 3.48Å; S9-Q144 PolarHBondContact O-NE2 3.12Å
10	F	89	Confident	93.7	Very high	16 Å²	16	36.4 Å²	36.4	7%	0.07	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.5	172.1	58.5	-103.9	0	0	0	113.3	M1 D3 L14 T146 S148 I149	M1-F10 WeakPolarHBondContact O-CE2 3.47Å; M1-F10 WeakPolarHBondContact O-CZ 3.44Å; D3-F10 HydrophobicContact CB-CE1 4.02Å; F10-L14 HydrophobicContact CB-CD2 4.45Å; F10-T146 HydrophobicContact CD1-CG2 4.37Å; F10-S148 VanDerWaalsContact CD1-CB 3.46Å; F10-S148 WeakPolarHBondContact CE1-OG 3.45Å; F10-I149 HydrophobicContact CB-CD1 3.78Å; F10-I149 HydrophobicContact CB-CG1 3.7Å
11	S	92.2	Very high	94	Very high	75 Å²	75	38.6 Å²	38.6	52%	0.524	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-19.1	177.2	66.3	0	0	0	0	113.5	S9	S9-S11 VanDerWaalsContact C-N 3.27Å; S9-S11 PolarHBondContact OG-N 3Å; S9-S11 PolarHBondContact OG-OG 3.48Å
12	T	94.8	Very high	95.7	Very high	32 Å²	32	31 Å²	31	20%	0.196	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-30.3	-176.5	59.3	0	0	0	0	112.9	L42	T12-L42 WeakPolarHBondContact O-CA 3.33Å; T12-L42 WeakPolarHBondContact O-CB 3.12Å; T12-L42 PolarHBondContact O-N 3.11Å
13	C	97.2	Very high	96.3	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.02	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	160	177.1	64.3	0	0	0	0	112	V39 E40 F46 L49 Q144	C13-V39 HydrophobicContact CB-CG1 3.86Å; C13-E40 CarbonylContact C-O 3.55Å; C13-E40 WeakPolarHBondContact CA-O 3.35Å; C13-E40 WeakPolarHBondContact CB-O 3.41Å; C13-F46 HydrophobicContact CB-CD2 4.47Å; C13-F46 HydrophobicContact CB-CE1 4.3Å; C13-F46 HydrophobicContact CB-CE2 3.77Å; C13-F46 HydrophobicContact CB-CZ 3.66Å; C13-L49 VanDerWaalsContact SG-CD1 3.57Å; C13-Q144 PolarHBondContact O-NE2 2.89Å; C13-Q144 PolarHBondContact SG-NE2 3.32Å; C13-Q144 VanDerWaalsContact SG-NE2 3.4Å
14	L	97.8	Very high	96.5	Very high	39 Å²	39	28.4 Å²	28.4	20%	0.204	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.8	177.6	-59.4	174.2	0	0	0	111.1	F10 V39 E40 L42 I149	F10-L14 HydrophobicContact CB-CD2 4.45Å; L14-V39 WeakPolarHBondContact O-CA 3.37Å; L14-E40 PolarHBondContact N-O 2.96Å; L14-E40 PolarHBondContact O-N 3Å; L14-L42 HydrophobicContact CD1-CD1 3.97Å; L14-L42 HydrophobicContact CD1-CD2 3.98Å; L14-L42 HydrophobicContact CD1-CG 4.34Å; L14-L42 HydrophobicContact CD2-CD1 4.15Å; L14-L42 HydrophobicContact CG-CD1 3.71Å; L14-L42 HydrophobicContact CG-CD2 4.22Å; L14-L42 HydrophobicContact CG-CG 4.08Å; L14-I149 HydrophobicContact CD2-CD1 4.39Å; L14-I149 HydrophobicContact CD2-CG1 3.93Å
15	T	98.6	Very high	96.6	Very high	3 Å²	3	29 Å²	29	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	125.2	163.6	-60.9	0	0	0	0	109.3	L18 L37 T38 Q144 H151	T15-L18 HydrophobicContact CG2-CD2 3.64Å; T15-L18 HydrophobicContact CG2-CG 4.33Å; T15-L37 HydrophobicContact CG2-CB 4.34Å; T15-L37 HydrophobicContact CG2-CD2 4.2Å; T15-T38 CarbonylContact C-O 3.44Å; T15-T38 WeakPolarHBondContact CA-O 3.4Å; T15-Q144 PolarHBondContact OG1-OE1 2.78Å; T15-H151 HydrophobicContact CG2-CB 4.08Å
16	K	98.8	Very high	96.7	Very high	73 Å²	73	30 Å²	30	32%	0.317	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-32	179.9	-60.8	-62.3	-164.3	178.1	0	113.3	T38 E40 H151 T152	K16-T38 PolarHBondContact N-O 2.9Å; K16-E40 WeakPolarHBondContact CE-OE1 3.43Å; K16-E40 WeakPolarHBondContact CE-OE2 3.27Å; K16-E40 HydrophobicContact CG-CB 4.15Å; K16-E40 IonicContact NZ-OE1 2.74Å; K16-E40 PolarHBondContact NZ-OE1 2.8Å; K16-E40 IonicContact NZ-OE2 3.6Å; K16-H151 WeakPolarHBondContact O-CA 3.09Å; K16-T152 PolarHBondContact O-N 2.88Å; K16-T152 PolarHBondContact O-OG1 3.33Å
17	H	98.9	Very high	96.7	Very high	56 Å²	56	37 Å²	37	26%	0.259	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	144.6	-176.5	-171.8	73.2	0	0	0	111.2	T38 T152	H17-T38 PolarHBondContact O-N 2.99Å; H17-T152 CarbonylContact C-O 3.57Å; H17-T152 WeakPolarHBondContact CA-O 3.49Å; H17-T152 PolarHBondContact ND1-O 2.86Å; H17-T152 PolarHBondContact ND1-OG1 3.33Å
18	L	98.9	Very high	96.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.6	169.3	-58.1	-180	0	0	0	110.1	T15 L20 V35 Q36 L37 H151 T152 Y153 Y154 I199	T15-L18 HydrophobicContact CG2-CD2 3.64Å; T15-L18 HydrophobicContact CG2-CG 4.33Å; L18-L20 HydrophobicContact CB-CD2 4.5Å; L18-L20 HydrophobicContact CB-CG 4.34Å; L18-V35 HydrophobicContact CD2-CG2 3.99Å; L18-Q36 WeakPolarHBondContact CA-O 3.41Å; L18-L37 HydrophobicContact CD2-CB 4.26Å; L18-L37 HydrophobicContact CD2-CD2 3.83Å; L18-L37 HydrophobicContact CD2-CG 3.69Å; L18-H151 VanDerWaalsContact CD1-CE1 3.46Å; L18-H151 WeakPolarHBondContact CD1-CE1 3.14Å; L18-T152 PolarHBondContact N-O 3.28Å; L18-Y153 CarbonylContact O-C 3.51Å; L18-Y153 WeakPolarHBondContact O-CA 3.5Å; L18-Y153 WeakPolarHBondContact O-CB 3.37Å; L18-Y154 PolarHBondContact O-N 3.01Å; L18-I199 HydrophobicContact CD1-CD1 3.67Å
19	N	98.9	Very high	97	Very high	36 Å²	36	42.8 Å²	42.8	19%	0.193	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	114.7	163.6	-179.7	7.6	0	0	0	108.7	V35 Q36 Y154	N19-V35 WeakPolarHBondContact O-CA 3.19Å; N19-Q36 HydrophobicContact CB-CB 4.17Å; N19-Q36 PolarHBondContact N-O 2.89Å; N19-Q36 PolarHBondContact ND2-OE1 3.03Å; N19-Q36 VanDerWaalsContact ND2-OE1 3.15Å; N19-Q36 PolarHBondContact O-N 3Å; N19-Y154 WeakPolarHBondContact CA-O 3.19Å
20	L	98.9	Very high	97.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.8	-172	-60.8	170.2	0	0	0	110.3	L18 L22 V35 I141 Y153 Y154 A155 Q156	L18-L20 HydrophobicContact CB-CD2 4.5Å; L18-L20 HydrophobicContact CB-CG 4.34Å; L20-L22 HydrophobicContact CB-CD2 4.37Å; L20-L22 HydrophobicContact CB-CG 4.22Å; L20-V35 HydrophobicContact CD2-CB 3.83Å; L20-V35 HydrophobicContact CD2-CG2 3.56Å; L20-I141 HydrophobicContact CD1-CD1 3.83Å; L20-I141 HydrophobicContact CD2-CD1 3.83Å; L20-I141 HydrophobicContact CD2-CG1 4.39Å; L20-I141 HydrophobicContact CD2-CG2 4.03Å; L20-Y153 HydrophobicContact CD1-CD2 4.37Å; L20-Y154 PolarHBondContact N-O 3.42Å; L20-A155 HydrophobicContact CB-CB 4.02Å; L20-A155 HydrophobicContact CD1-CB 4.38Å; L20-A155 CarbonylContact O-C 3.51Å; L20-A155 WeakPolarHBondContact O-CA 3.49Å; L20-Q156 PolarHBondContact O-N 3.41Å
21	Q	98.8	Very high	97.9	Very high	82 Å²	82	40 Å²	40	38%	0.383	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	110.8	165.7	-58.6	175.4	19.2	0	0	107.5	G33 K34	Q21-G33 CarbonylContact O-C 3.58Å; Q21-G33 WeakPolarHBondContact O-CA 3.45Å; Q21-K34 HydrophobicContact CB-CB 4.24Å; Q21-K34 PolarHBondContact N-O 3.45Å; Q21-K34 PolarHBondContact O-N 2.95Å
22	L	98.8	Very high	98.2	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.2	-171.9	-53.9	-178.6	0	0	0	109.4	L20 I31 Q156 V157 S158 I201	L20-L22 HydrophobicContact CB-CD2 4.37Å; L20-L22 HydrophobicContact CB-CG 4.22Å; L22-I31 HydrophobicContact CB-CG2 3.89Å; L22-I31 HydrophobicContact CD2-CG2 4.02Å; L22-I31 HydrophobicContact CG-CG2 4.41Å; L22-Q156 PolarHBondContact N-O 2.98Å; L22-V157 HydrophobicContact CB-CG1 4.41Å; L22-V157 HydrophobicContact CB-CG2 4.41Å; L22-V157 HydrophobicContact CD1-CG2 4.34Å; L22-V157 CarbonylContact O-C 3.35Å; L22-V157 WeakPolarHBondContact O-CA 3.13Å; L22-S158 PolarHBondContact O-N 3.4Å; L22-I201 HydrophobicContact CD1-CD1 4.18Å
23	H	98.7	Very high	98.4	Very high	39 Å²	39	40.2 Å²	40.2	18%	0.181	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113.2	173.5	-179.6	104.7	0	0	0	109.3	I31 R32 S158 R183	H23-I31 WeakPolarHBondContact O-CA 3.45Å; H23-R32 HydrophobicContact CB-CB 4.3Å; H23-R32 PolarHBondContact CD2-NH2 2.76Å; H23-R32 PolarHBondContact N-O 2.56Å; H23-R32 PolarHBondContact NE2-NH2 2.89Å; H23-R32 PolarHBondContact O-N 2.93Å; H23-S158 PolarHBondContact ND1-OG 2.94Å; H23-R183 PolarHBondContact CE1-NE 3.2Å
24	V	98.8	Very high	98.4	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	112.5	-174.4	179.4	0	0	0	0	110.7	F26 I31 W114 L128 V157 S158 V159 R183 I201 V203	V24-F26 HydrophobicContact CG1-CD2 4.08Å; V24-F26 HydrophobicContact CG1-CE2 3.71Å; V24-F26 HydrophobicContact CG1-CZ 4.15Å; V24-I31 HydrophobicContact CG2-CG1 4.37Å; V24-W114 HydrophobicContact CG1-CH2 3.71Å; V24-W114 HydrophobicContact CG1-CZ3 3.7Å; V24-L128 HydrophobicContact CG1-CD2 3.59Å; V24-L128 HydrophobicContact CG2-CD2 4.25Å; V24-V157 HydrophobicContact CG2-CG1 3.97Å; V24-S158 PolarHBondContact N-O 2.88Å; V24-S158 VanDerWaalsContact N-O 3.09Å; V24-V159 HydrophobicContact CB-CG1 4.23Å; V24-V159 HydrophobicContact CG2-CG1 4.2Å; V24-R183 PolarHBondContact O-NH2 2.92Å; V24-I201 HydrophobicContact CG2-CD1 4.2Å; V24-V203 HydrophobicContact CG1-CG2 4.36Å; V24-V203 HydrophobicContact CG2-CG2 4.05Å
25	D	98.4	Very high	98.5	Very high	23 Å²	23	41.1 Å²	41.1	12%	0.123	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	101.5	-178.3	-172	-27.3	0	0	0	109.9	D27 R28 H29 V30	D25-D27 VanDerWaalsContact C-N 3.35Å; D25-D27 PolarHBondContact OD1-N 2.85Å; D25-R28 PolarHBondContact OD1-N 2.97Å; D25-R28 WeakPolarHBondContact OD2-CD 3.34Å; D25-H29 VanDerWaalsContact O-CA 3.29Å; D25-H29 WeakPolarHBondContact O-CA 3.37Å; D25-H29 PolarHBondContact O-N 3.49Å; D25-V30 HydrophobicContact CB-CG2 3.99Å; D25-V30 WeakPolarHBondContact CB-O 3.37Å; D25-V30 PolarHBondContact N-O 2.69Å; D25-V30 PolarHBondContact O-N 2.9Å
26	F	98.2	Very high	98.5	Very high	21 Å²	21	43.2 Å²	43.2	9%	0.092	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-24.2	179.4	-79.8	-80	0	0	0	113.3	V24 H29 W114 P126 L128 P160 L163 V203	V24-F26 HydrophobicContact CG1-CD2 4.08Å; V24-F26 HydrophobicContact CG1-CE2 3.71Å; V24-F26 HydrophobicContact CG1-CZ 4.15Å; F26-H29 PolarHBondContact O-CD2 2.85Å; F26-H29 PolarHBondContact O-NE2 2.94Å; F26-W114 AromaticContact CD1-CE3 3.59Å; F26-W114 HydrophobicContact CD1-CE3 3.59Å; F26-W114 AromaticContact CD1-CZ3 3.69Å; F26-W114 HydrophobicContact CD1-CZ3 3.69Å; F26-W114 AromaticContact CE1-CE3 3.79Å; F26-W114 HydrophobicContact CE1-CE3 3.79Å; F26-W114 AromaticContact CE1-CZ3 3.9Å; F26-W114 HydrophobicContact CE1-CZ3 3.9Å; F26-W114 HydrophobicContact CG-CE3 4.35Å; F26-W114 HydrophobicContact CG-CZ3 4.03Å; F26-W114 HydrophobicContact CZ-CZ3 4.4Å; F26-P126 HydrophobicContact CB-CG 4.26Å; F26-P126 HydrophobicContact CD1-CB 3.53Å; F26-P126 HydrophobicContact CD1-CG 3.67Å; F26-P126 HydrophobicContact CD2-CG 4.2Å; F26-P126 HydrophobicContact CE1-CB 3.78Å; F26-P126 HydrophobicContact CE1-CG 3.99Å; F26-P126 HydrophobicContact CE2-CG 4.48Å; F26-P126 HydrophobicContact CG-CB 4.14Å; F26-P126 HydrophobicContact CG-CG 3.78Å; F26-P126 HydrophobicContact CZ-CG 4.37Å; F26-L128 HydrophobicContact CE1-CB 3.85Å; F26-L128 HydrophobicContact CZ-CB 3.82Å; F26-P160 HydrophobicContact CD2-CG 4.21Å; F26-L163 HydrophobicContact CD2-CD1 3.98Å; F26-L163 HydrophobicContact CE2-CD1 3.37Å; F26-L163 HydrophobicContact CZ-CD1 3.93Å; F26-V203 HydrophobicContact CE2-CB 4.3Å; F26-V203 HydrophobicContact CE2-CG1 3.75Å; F26-V203 HydrophobicContact CZ-CB 4.07Å; F26-V203 HydrophobicContact CZ-CG1 3.93Å
27	D	96.9	Very high	98.5	Very high	162 Å²	162	39.8 Å²	39.8	87%	0.866	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-36	-179.4	-65.1	-26.4	0	0	0	110.5	D25	D25-D27 VanDerWaalsContact C-N 3.35Å; D25-D27 PolarHBondContact OD1-N 2.85Å
28	R	97.6	Very high	98.5	Very high	117 Å²	117	38.4 Å²	38.4	44%	0.442	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-8.8	178.3	-65.9	175.9	63.6	-136.7	-3.9	113.6	D25 V30 E104	D25-R28 PolarHBondContact OD1-N 2.97Å; D25-R28 WeakPolarHBondContact OD2-CD 3.34Å; R28-V30 VanDerWaalsContact C-N 3.33Å; R28-V30 HydrophobicContact CB-CG1 4.48Å; R28-V30 HydrophobicContact CB-CG2 3.85Å; R28-V30 PolarHBondContact O-N 2.84Å; R28-E104 IonicContact CZ-OE1 3.49Å; R28-E104 IonicContact CZ-OE2 3.53Å; R28-E104 VanDerWaalsContact CZ-OE2 3.24Å; R28-E104 IonicContact NH1-OE1 2.73Å; R28-E104 IonicContact NH1-OE2 3.54Å; R28-E104 PolarHBondContact NH1-OE2 3.12Å; R28-E104 IonicContact NH2-OE1 3.07Å; R28-E104 PolarHBondContact NH2-OE1 2.92Å; R28-E104 IonicContact NH2-OE2 2.68Å; R28-E104 PolarHBondContact NH2-OE2 3.5Å
29	H	97.6	Very high	98.5	Very high	71 Å²	71	38.4 Å²	38.4	33%	0.329	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	43.9	-171.1	-62.4	154.1	0	0	0	113.2	D25 F26 P107 W114	D25-H29 VanDerWaalsContact O-CA 3.29Å; D25-H29 WeakPolarHBondContact O-CA 3.37Å; D25-H29 PolarHBondContact O-N 3.49Å; F26-H29 PolarHBondContact O-CD2 2.85Å; F26-H29 PolarHBondContact O-NE2 2.94Å; H29-P107 HydrophobicContact CB-CB 4.15Å; H29-P107 VanDerWaalsContact O-CA 3.29Å; H29-P107 WeakPolarHBondContact O-CA 3.44Å; H29-W114 HydrophobicContact CB-CB 4.41Å; H29-W114 HydrophobicContact CB-CD2 3.84Å; H29-W114 HydrophobicContact CB-CE3 4.43Å; H29-W114 HydrophobicContact CB-CG 3.8Å; H29-W114 AromaticContact CD2-CD2 3.95Å; H29-W114 AromaticContact CD2-CE3 3.93Å; H29-W114 AromaticContact CD2-CG 3.89Å; H29-W114 AromaticContact CG-CG 3.91Å; H29-W114 VanDerWaalsContact O-CE2 3.26Å; H29-W114 WeakPolarHBondContact O-CZ2 3.05Å; H29-W114 PolarHBondContact O-NE1 3.49Å; H29-W114 VanDerWaalsContact O-NE1 3.12Å
30	V	98.6	Very high	98.5	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152	179.8	-59.5	0	0	0	0	111.9	D25 R28 R32 E104 T105 P107 W114	D25-V30 HydrophobicContact CB-CG2 3.99Å; D25-V30 WeakPolarHBondContact CB-O 3.37Å; D25-V30 PolarHBondContact N-O 2.69Å; D25-V30 PolarHBondContact O-N 2.9Å; R28-V30 VanDerWaalsContact C-N 3.33Å; R28-V30 HydrophobicContact CB-CG1 4.48Å; R28-V30 HydrophobicContact CB-CG2 3.85Å; R28-V30 PolarHBondContact O-N 2.84Å; V30-R32 HydrophobicContact CG2-CG 4.45Å; V30-E104 HydrophobicContact CB-CG 3.76Å; V30-E104 HydrophobicContact CG1-CG 4.15Å; V30-E104 HydrophobicContact CG2-CG 3.87Å; V30-T105 WeakPolarHBondContact CG1-O 3.47Å; V30-P107 HydrophobicContact CG1-CG 3.99Å; V30-W114 WeakPolarHBondContact O-CH2 3.46Å
31	I	98.8	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118	161.4	-55.9	-178.7	0	0	0	107.2	L22 H23 V24 E104 T105 L112 W114 L128 M140	L22-I31 HydrophobicContact CB-CG2 3.89Å; L22-I31 HydrophobicContact CD2-CG2 4.02Å; L22-I31 HydrophobicContact CG-CG2 4.41Å; H23-I31 WeakPolarHBondContact O-CA 3.45Å; V24-I31 HydrophobicContact CG2-CG1 4.37Å; I31-E104 WeakPolarHBondContact O-CA 3.19Å; I31-T105 HydrophobicContact CB-CG2 3.96Å; I31-T105 PolarHBondContact N-OG1 3.16Å; I31-T105 PolarHBondContact O-N 3.23Å; I31-L112 HydrophobicContact CD1-CD1 3.63Å; I31-L112 HydrophobicContact CD1-CD2 4.08Å; I31-L112 HydrophobicContact CG1-CD1 3.87Å; I31-W114 HydrophobicContact CG1-CH2 4.27Å; I31-W114 HydrophobicContact CG1-CZ2 4.12Å; I31-L128 HydrophobicContact CD1-CD2 4.13Å; I31-L128 HydrophobicContact CG1-CD2 4.41Å; I31-M140 HydrophobicContact CD1-CG 4.35Å
32	R	98.7	Very high	98.4	Very high	106 Å²	106	36.5 Å²	36.5	40%	0.4	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.1	166.6	-67.5	-178.2	-66.8	-175.7	-1.2	107.7	H23 V30 E104	H23-R32 HydrophobicContact CB-CB 4.3Å; H23-R32 PolarHBondContact CD2-NH2 2.76Å; H23-R32 PolarHBondContact N-O 2.56Å; H23-R32 PolarHBondContact NE2-NH2 2.89Å; H23-R32 PolarHBondContact O-N 2.93Å; V30-R32 HydrophobicContact CG2-CG 4.45Å; R32-E104 HydrophobicContact CG-CG 4.02Å; R32-E104 WeakPolarHBondContact CG-OE2 3.23Å
33	G	97.9	Very high	98.3	Very high	5 Å²	5	39.9 Å²	39.9	5%	0.052	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.1	-168.3	0	0	0	0	0	112.9	Q21 T102 Y103	Q21-G33 CarbonylContact O-C 3.58Å; Q21-G33 WeakPolarHBondContact O-CA 3.45Å; G33-T102 WeakPolarHBondContact O-CA 3.48Å; G33-Y103 PolarHBondContact N-O 2.71Å; G33-Y103 WeakPolarHBondContact O-CD1 3.17Å; G33-Y103 PolarHBondContact O-N 2.75Å; G33-Y103 VanDerWaalsContact O-O 3.12Å
34	K	98.7	Very high	98.2	Very high	61 Å²	61	42.7 Å²	42.7	27%	0.265	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123	157.6	-169.8	-168	-125.8	-150.3	0	107.4	Q21 E100 V101	Q21-K34 HydrophobicContact CB-CB 4.24Å; Q21-K34 PolarHBondContact N-O 3.45Å; Q21-K34 PolarHBondContact O-N 2.95Å; K34-E100 HydrophobicContact CD-CG 4.07Å; K34-E100 WeakPolarHBondContact CD-OE2 3.28Å; K34-E100 WeakPolarHBondContact CE-OE1 2.98Å; K34-E100 WeakPolarHBondContact CE-OE2 3.44Å; K34-E100 HydrophobicContact CG-CG 3.8Å; K34-E100 IonicContact NZ-OE1 2.69Å; K34-E100 PolarHBondContact NZ-OE1 2.88Å; K34-E100 IonicContact NZ-OE2 3.87Å; K34-E100 PolarHBondContact NZ-OE2 3.15Å; K34-V101 WeakPolarHBondContact CA-O 3.15Å
35	V	98.8	Very high	98.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129	172.8	60.2	0	0	0	0	109.6	L18 N19 L20 L37 E100 V101 Y103 I141 P142	L18-V35 HydrophobicContact CD2-CG2 3.99Å; N19-V35 WeakPolarHBondContact O-CA 3.19Å; L20-V35 HydrophobicContact CD2-CB 3.83Å; L20-V35 HydrophobicContact CD2-CG2 3.56Å; V35-L37 HydrophobicContact CG1-CD1 3.87Å; V35-L37 HydrophobicContact CG2-CD1 3.96Å; V35-L37 HydrophobicContact CG2-CG 4.02Å; V35-E100 CarbonylContact O-C 3.44Å; V35-E100 VanDerWaalsContact O-CA 3.27Å; V35-E100 WeakPolarHBondContact O-CA 3.42Å; V35-V101 HydrophobicContact CG1-CB 3.91Å; V35-V101 HydrophobicContact CG1-CG2 4.5Å; V35-V101 PolarHBondContact N-O 3.5Å; V35-V101 PolarHBondContact O-N 3.09Å; V35-Y103 HydrophobicContact CB-CE1 4.16Å; V35-Y103 HydrophobicContact CG1-CD1 4.3Å; V35-Y103 HydrophobicContact CG1-CE1 3.77Å; V35-I141 HydrophobicContact CB-CG2 4.11Å; V35-I141 HydrophobicContact CG1-CG2 4.2Å; V35-I141 HydrophobicContact CG2-CG2 3.99Å; V35-P142 HydrophobicContact CG1-CG 3.78Å
36	Q	98.9	Very high	98.1	Very high	48 Å²	48	51.4 Å²	51.4	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115.5	166	-60.9	175.1	-21.3	0	0	108.5	L18 N19 I98 V99 E100	L18-Q36 WeakPolarHBondContact CA-O 3.41Å; N19-Q36 HydrophobicContact CB-CB 4.17Å; N19-Q36 PolarHBondContact N-O 2.89Å; N19-Q36 PolarHBondContact ND2-OE1 3.03Å; N19-Q36 VanDerWaalsContact ND2-OE1 3.15Å; N19-Q36 PolarHBondContact O-N 3Å; Q36-I98 HydrophobicContact CB-CG2 3.91Å; Q36-I98 HydrophobicContact CG-CG2 4.32Å; Q36-V99 CarbonylContact C-O 3.32Å; Q36-V99 WeakPolarHBondContact CA-O 3.34Å; Q36-E100 HydrophobicContact CG-CB 4.08Å; Q36-E100 HydrophobicContact CG-CG 3.85Å; Q36-E100 WeakPolarHBondContact CG-OE2 3.5Å; Q36-E100 PolarHBondContact NE2-OE2 3.17Å
37	L	98.9	Very high	98.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.1	175.3	-56	96	0	0	0	108.9	T15 L18 V35 V39 L51 I98 V99 V101	T15-L37 HydrophobicContact CG2-CB 4.34Å; T15-L37 HydrophobicContact CG2-CD2 4.2Å; L18-L37 HydrophobicContact CD2-CB 4.26Å; L18-L37 HydrophobicContact CD2-CD2 3.83Å; L18-L37 HydrophobicContact CD2-CG 3.69Å; V35-L37 HydrophobicContact CG1-CD1 3.87Å; V35-L37 HydrophobicContact CG2-CD1 3.96Å; V35-L37 HydrophobicContact CG2-CG 4.02Å; L37-V39 HydrophobicContact CB-CG2 3.84Å; L37-V39 PolarHBondContact O-N 2.93Å; L37-L51 HydrophobicContact CD1-CD1 4.13Å; L37-L51 HydrophobicContact CD2-CD1 4.16Å; L37-L51 HydrophobicContact CD2-CD2 4.04Å; L37-I98 WeakPolarHBondContact O-CA 3.37Å; L37-V99 WeakPolarHBondContact CD1-O 3.34Å; L37-V99 PolarHBondContact N-O 3.06Å; L37-V99 PolarHBondContact O-N 3.41Å; L37-V101 HydrophobicContact CD1-CG2 4.3Å
38	T	98.9	Very high	98.1	Very high	28 Å²	28	47.5 Å²	47.5	17%	0.172	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	107.8	164.4	-56.6	0	0	0	0	108	T15 K16 H17 Q96 V97	T15-T38 CarbonylContact C-O 3.44Å; T15-T38 WeakPolarHBondContact CA-O 3.4Å; K16-T38 PolarHBondContact N-O 2.9Å; H17-T38 PolarHBondContact O-N 2.99Å; T38-Q96 HydrophobicContact CG2-CB 4.44Å; T38-V97 WeakPolarHBondContact CA-O 3.42Å
39	V	98.7	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.8	-174.1	-176.2	0	0	0	0	109.5	C13 L14 L37 L49 Q96 V97 V99	C13-V39 HydrophobicContact CB-CG1 3.86Å; L14-V39 WeakPolarHBondContact O-CA 3.37Å; L37-V39 HydrophobicContact CB-CG2 3.84Å; L37-V39 PolarHBondContact O-N 2.93Å; V39-L49 HydrophobicContact CG1-CD1 4.27Å; V39-L49 HydrophobicContact CG2-CD2 4Å; V39-Q96 CarbonylContact O-C 3.56Å; V39-Q96 WeakPolarHBondContact O-CA 3.49Å; V39-V97 HydrophobicContact CB-CG1 4.17Å; V39-V97 PolarHBondContact N-O 2.71Å; V39-V97 PolarHBondContact O-N 3.43Å; V39-V99 HydrophobicContact CG2-CG2 4.14Å
40	E	98.6	Very high	98.2	Very high	37 Å²	37	40.5 Å²	40.5	17%	0.173	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.4	174.5	-176.4	174.8	95.2	0	0	110.4	C13 L14 K16 Q95 Q96	C13-E40 CarbonylContact C-O 3.55Å; C13-E40 WeakPolarHBondContact CA-O 3.35Å; C13-E40 WeakPolarHBondContact CB-O 3.41Å; L14-E40 PolarHBondContact N-O 2.96Å; L14-E40 PolarHBondContact O-N 3Å; K16-E40 WeakPolarHBondContact CE-OE1 3.43Å; K16-E40 WeakPolarHBondContact CE-OE2 3.27Å; K16-E40 HydrophobicContact CG-CB 4.15Å; K16-E40 IonicContact NZ-OE1 2.74Å; K16-E40 PolarHBondContact NZ-OE1 2.8Å; K16-E40 IonicContact NZ-OE2 3.6Å; E40-Q95 WeakPolarHBondContact CA-O 3.43Å; E40-Q96 HydrophobicContact CB-CG 3.89Å; E40-Q96 HydrophobicContact CG-CG 4.11Å; E40-Q96 PolarHBondContact OE2-NE2 3.15Å
41	A	98.3	Very high	98.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	133.3	174.4	0	0	0	0	0	111	F46 L91 G94 Q95	A41-F46 HydrophobicContact CB-CB 3.86Å; A41-F46 HydrophobicContact CB-CD1 4.13Å; A41-F46 HydrophobicContact CB-CG 4.07Å; A41-L91 HydrophobicContact CB-CB 3.86Å; A41-L91 HydrophobicContact CB-CD1 4.29Å; A41-G94 PolarHBondContact O-N 3.07Å; A41-Q95 PolarHBondContact N-O 3.49Å
42	L	97.4	Very high	98.2	Very high	41 Å²	41	40.3 Å²	40.3	22%	0.215	19%	0.193	C	C	.	.	S	Bend	trans	-101.6	5.9	174.3	-60.6	-174	0	0	0	112.8	T12 L14 R93	T12-L42 WeakPolarHBondContact O-CA 3.33Å; T12-L42 WeakPolarHBondContact O-CB 3.12Å; T12-L42 PolarHBondContact O-N 3.11Å; L14-L42 HydrophobicContact CD1-CD1 3.97Å; L14-L42 HydrophobicContact CD1-CD2 3.98Å; L14-L42 HydrophobicContact CD1-CG 4.34Å; L14-L42 HydrophobicContact CD2-CD1 4.15Å; L14-L42 HydrophobicContact CG-CD1 3.71Å; L14-L42 HydrophobicContact CG-CD2 4.22Å; L14-L42 HydrophobicContact CG-CG 4.08Å; L42-R93 PolarHBondContact O-NH1 2.93Å; L42-R93 PolarHBondContact O-NH2 2.8Å
43	E	96.8	Very high	98.2	Very high	76 Å²	76	35.4 Å²	35.4	36%	0.355	17%	0.174	S	C	.	.	S	Bend	trans	-145.1	164	178.2	65.8	-172.5	-179.4	0	0	111.1	F46 S92 R93	E43-F46 HydrophobicContact CG-CB 4.12Å; E43-F46 HydrophobicContact CG-CD2 4.32Å; E43-S92 CarbonylContact O-C 3.46Å; E43-R93 PolarHBondContact O-N 3.2Å
44	D	97.6	Very high	98.1	Very high	97 Å²	97	36.1 Å²	36.1	52%	0.519	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	148.5	176.3	-63.8	-56	0	0	0	111	F46 R93	D44-F46 PolarHBondContact O-N 2.88Å; D44-R93 PolarHBondContact OD1-N 3.03Å
45	R	97	Very high	98	Very high	202 Å²	202	35.8 Å²	35.8	76%	0.762	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	33.7	-175	-55.8	-177.7	-69.8	-171.1	-1.7	112.7	S47 L91	R45-S47 PolarHBondContact O-N 2.93Å; R45-L91 WeakPolarHBondContact CA-O 3.44Å; R45-L91 PolarHBondContact N-O 3.06Å
46	F	97.9	Very high	98	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	119.8	173.7	176.5	-93.3	0	0	0	109.6	C13 A41 E43 D44 V48 L49 L87 L91	C13-F46 HydrophobicContact CB-CD2 4.47Å; C13-F46 HydrophobicContact CB-CE1 4.3Å; C13-F46 HydrophobicContact CB-CE2 3.77Å; C13-F46 HydrophobicContact CB-CZ 3.66Å; A41-F46 HydrophobicContact CB-CB 3.86Å; A41-F46 HydrophobicContact CB-CD1 4.13Å; A41-F46 HydrophobicContact CB-CG 4.07Å; E43-F46 HydrophobicContact CG-CB 4.12Å; E43-F46 HydrophobicContact CG-CD2 4.32Å; D44-F46 PolarHBondContact O-N 2.88Å; F46-V48 WeakPolarHBondContact CE2-O 3.38Å; F46-V48 WeakPolarHBondContact CZ-O 3.12Å; F46-L49 HydrophobicContact CZ-CB 4.09Å; F46-L49 HydrophobicContact CZ-CD1 4.39Å; F46-L87 HydrophobicContact CD1-CD1 3.79Å; F46-L87 HydrophobicContact CE1-CD1 3.8Å; F46-L91 HydrophobicContact CB-CB 4.29Å; F46-L91 HydrophobicContact CD1-CB 4.4Å; F46-L91 HydrophobicContact CD1-CD1 4.05Å; F46-L91 PolarHBondContact N-O 3.12Å; F46-L91 PolarHBondContact O-N 2.88Å
47	S	97.1	Very high	97.9	Very high	36 Å²	36	39 Å²	39	25%	0.252	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	-0.6	-176	56.1	0	0	0	0	114	R45 L87 D90	R45-S47 PolarHBondContact O-N 2.93Å; S47-L87 PolarHBondContact O-N 3.02Å; S47-D90 WeakPolarHBondContact CB-OD1 3.16Å
48	V	97.8	Very high	97.9	Very high	66 Å²	66	39.5 Å²	39.5	40%	0.4	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	118.9	-179.2	-178.8	0	0	0	0	110	F46 V84 I85	F46-V48 WeakPolarHBondContact CE2-O 3.38Å; F46-V48 WeakPolarHBondContact CZ-O 3.12Å; V48-V84 HydrophobicContact CG1-CG1 3.58Å; V48-I85 WeakPolarHBondContact CA-O 3.42Å
49	L	98.2	Very high	97.9	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.8	172.6	173.4	64.6	0	0	0	109.3	C13 V39 F46 L51 I85 V99	C13-L49 VanDerWaalsContact SG-CD1 3.57Å; V39-L49 HydrophobicContact CG1-CD1 4.27Å; V39-L49 HydrophobicContact CG2-CD2 4Å; F46-L49 HydrophobicContact CZ-CB 4.09Å; F46-L49 HydrophobicContact CZ-CD1 4.39Å; L49-L51 HydrophobicContact CD1-CD2 3.98Å; L49-L51 HydrophobicContact CD2-CD1 4.41Å; L49-L51 HydrophobicContact CD2-CD2 4.02Å; L49-L51 HydrophobicContact CD2-CG 4.17Å; L49-L51 HydrophobicContact CG-CD2 4Å; L49-L51 HydrophobicContact CG-CG 4.13Å; L49-I85 HydrophobicContact CB-CB 4.38Å; L49-I85 HydrophobicContact CD2-CD1 4.38Å; L49-I85 PolarHBondContact N-O 3.37Å; L49-I85 PolarHBondContact O-N 2.89Å; L49-V99 HydrophobicContact CD2-CB 4.27Å; L49-V99 HydrophobicContact CD2-CG1 4.24Å; L49-V99 HydrophobicContact CD2-CG2 3.85Å
50	T	98.4	Very high	97.9	Very high	39 Å²	39	44.2 Å²	44.2	24%	0.239	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.1	168.8	-54.9	0	0	0	0	109	F7 S8 P82 L83 V84	F7-T50 HydrophobicContact CB-CG2 4.07Å; S8-T50 PolarHBondContact OG-O 2.9Å; T50-P82 HydrophobicContact CG2-CB 3.81Å; T50-L83 WeakPolarHBondContact CA-O 3.28Å; T50-V84 HydrophobicContact CG2-CG2 4.4Å
51	L	98.7	Very high	97.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	150.3	171.9	-59	179.6	0	0	0	109.8	L37 L49 L83 I85 V101 P142 Q144	L37-L51 HydrophobicContact CD1-CD1 4.13Å; L37-L51 HydrophobicContact CD2-CD1 4.16Å; L37-L51 HydrophobicContact CD2-CD2 4.04Å; L49-L51 HydrophobicContact CD1-CD2 3.98Å; L49-L51 HydrophobicContact CD2-CD1 4.41Å; L49-L51 HydrophobicContact CD2-CD2 4.02Å; L49-L51 HydrophobicContact CD2-CG 4.17Å; L49-L51 HydrophobicContact CG-CD2 4Å; L49-L51 HydrophobicContact CG-CG 4.13Å; L51-L83 HydrophobicContact CB-CB 4.34Å; L51-L83 HydrophobicContact CD1-CD2 4.42Å; L51-L83 PolarHBondContact N-O 2.88Å; L51-L83 PolarHBondContact O-N 2.85Å; L51-I85 HydrophobicContact CD1-CD1 3.97Å; L51-I85 HydrophobicContact CG-CD1 4.45Å; L51-V101 HydrophobicContact CD1-CG2 4.42Å; L51-P142 HydrophobicContact CD1-CB 4.39Å; L51-Q144 HydrophobicContact CD2-CG 3.73Å
52	D	98.8	Very high	97.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	134.9	166	-62.4	-81.1	0	0	0	109.7	S6 F7 S8 R138 P142 C143 D145	S6-D52 WeakPolarHBondContact CA-OD1 3.33Å; S6-D52 PolarHBondContact OG-OD1 3.43Å; S6-D52 PolarHBondContact OG-OD2 2.87Å; F7-D52 WeakPolarHBondContact CD2-OD1 3.36Å; F7-D52 PolarHBondContact N-OD1 3.36Å; S8-D52 WeakPolarHBondContact CB-OD2 3.43Å; S8-D52 PolarHBondContact OG-N 2.8Å; S8-D52 PolarHBondContact OG-OD2 2.81Å; D52-R138 HydrophobicContact CB-CB 3.72Å; D52-R138 IonicContact OD1-CZ 3.21Å; D52-R138 IonicContact OD1-NH1 3.78Å; D52-R138 PolarHBondContact OD1-NH1 2.85Å; D52-R138 IonicContact OD1-NH2 2.84Å; D52-P142 WeakPolarHBondContact O-CA 3.25Å; D52-C143 WeakPolarHBondContact CA-O 3.31Å; D52-C143 WeakPolarHBondContact CB-O 3.24Å; D52-C143 PolarHBondContact N-O 3Å; D52-C143 PolarHBondContact O-N 2.75Å; D52-D145 HydrophobicContact CB-CB 3.74Å; D52-D145 PolarHBondContact OD2-N 3.04Å
53	S	98.2	Very high	98	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.9	170.3	74.8	0	0	0	0	109.8	G80 T81 R138	S53-G80 CarbonylContact O-C 3.57Å; S53-G80 WeakPolarHBondContact O-CA 3.48Å; S53-T81 PolarHBondContact N-O 3.12Å; S53-T81 VanDerWaalsContact N-O 3.14Å; S53-T81 PolarHBondContact O-N 2.91Å; S53-T81 VanDerWaalsContact O-O 3.06Å; S53-T81 PolarHBondContact OG-O 2.8Å; S53-R138 CarbonylContact C-O 3.59Å; S53-R138 WeakPolarHBondContact CA-O 3.16Å
54	R	97.6	Very high	98	Very high	21 Å²	21	41.6 Å²	41.6	8%	0.079	22%	0.224	C	C	.	.	S	Bend	trans	-144.5	113.7	171.6	179.7	170.2	177.6	171.9	-6.2	110.1	L56 F78 F110 R138 S139	R54-L56 PolarHBondContact O-N 2.85Å; R54-F78 PolarHBondContact NH1-O 2.82Å; R54-F110 VanDerWaalsContact NH2-CD2 3.29Å; R54-F110 VanDerWaalsContact NH2-CE1 3.28Å; R54-R138 HydrophobicContact CB-CG 3.93Å; R54-R138 PolarHBondContact N-O 3.32Å; R54-S139 WeakPolarHBondContact O-CA 3.38Å
55	D	95.7	Very high	97.8	Very high	53 Å²	53	46 Å²	46	28%	0.283	24%	0.242	S	C	.	.	S	Bend	trans	54	36.2	177.9	-51.5	-50.8	0	0	0	112.7	K75 S106	D55-K75 IonicContact OD1-NZ 3.36Å; D55-K75 PolarHBondContact OD1-NZ 3.11Å; D55-K75 IonicContact OD2-NZ 3.54Å; D55-S106 WeakPolarHBondContact O-CB 3.4Å; D55-S106 PolarHBondContact O-N 3.35Å
56	L	98	Very high	97.9	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.063	23%	0.23	C	C	.	.			trans	-93	135.3	172.9	-62.8	-175.1	0	0	0	110.3	R54 V58 Y103 T105 R138 S139 P142	R54-L56 PolarHBondContact O-N 2.85Å; L56-V58 PolarHBondContact O-N 3.15Å; L56-Y103 HydrophobicContact CD1-CD2 4.25Å; L56-Y103 HydrophobicContact CD2-CD2 4.12Å; L56-Y103 HydrophobicContact CD2-CE2 4.46Å; L56-T105 HydrophobicContact CD2-CG2 4.08Å; L56-R138 WeakPolarHBondContact CD1-O 3.46Å; L56-S139 WeakPolarHBondContact CD2-O 3.4Å; L56-P142 HydrophobicContact CD1-CB 3.91Å; L56-P142 HydrophobicContact CD1-CG 4.11Å
57	N	98.3	Very high	97.8	Very high	103 Å²	103	47.6 Å²	47.6	55%	0.551	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	99.8	170.3	-178.2	17.3	0	0	0	109.4	Y103 E104	N57-Y103 CarbonylContact O-C 3.53Å; N57-Y103 WeakPolarHBondContact O-CA 3.22Å; N57-Y103 WeakPolarHBondContact O-CB 3.32Å; N57-E104 HydrophobicContact CB-CB 4.4Å; N57-E104 PolarHBondContact N-O 3.48Å; N57-E104 PolarHBondContact O-N 3Å
58	V	98.6	Very high	97.9	Very high	11 Å²	11	46.2 Å²	46.2	7%	0.067	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.7	-179.6	-179.3	0	0	0	0	110	L56 V61 Y70 L83 V101	L56-V58 PolarHBondContact O-N 3.15Å; V58-V61 HydrophobicContact CG1-CG2 4.01Å; V58-Y70 HydrophobicContact CB-CE2 3.95Å; V58-Y70 HydrophobicContact CG1-CD2 4.12Å; V58-Y70 HydrophobicContact CG1-CE2 3.6Å; V58-Y70 PolarHBondContact O-OH 2.93Å; V58-L83 HydrophobicContact CG2-CD1 4.46Å; V58-L83 HydrophobicContact CG2-CD2 4.19Å; V58-V101 HydrophobicContact CG1-CG1 3.8Å; V58-V101 HydrophobicContact CG2-CG1 4.43Å
59	S	98.1	Very high	97.9	Very high	75 Å²	75	48.8 Å²	48.8	52%	0.524	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-31.8	-177.5	65.5	0	0	0	0	113.8	T102	S59-T102 PolarHBondContact N-O 3.15Å; S59-T102 WeakPolarHBondContact OG-CB 3.49Å; S59-T102 VanDerWaalsContact OG-CG2 3.29Å; S59-T102 WeakPolarHBondContact OG-CG2 3.42Å; S59-T102 PolarHBondContact OG-O 2.91Å
60	S	98.6	Very high	97.9	Very high	52 Å²	52	52.1 Å²	52.1	36%	0.364	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	148	-179.4	62.8	0	0	0	0	111.8	T102	S60-T102 PolarHBondContact N-O 2.73Å; S60-T102 PolarHBondContact O-N 2.77Å; S60-T102 WeakPolarHBondContact OG-CB 3.23Å; S60-T102 PolarHBondContact OG-OG1 3.28Å
61	V	98.8	Very high	97.9	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.03	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.3	169.8	-176.6	0	0	0	0	109.6	V58 A68 Y70 I85 V99 E100 V101	V58-V61 HydrophobicContact CG1-CG2 4.01Å; V61-A68 HydrophobicContact CG1-CB 4.24Å; V61-A68 PolarHBondContact O-N 2.89Å; V61-Y70 HydrophobicContact CB-CD1 3.86Å; V61-Y70 HydrophobicContact CB-CG 4.28Å; V61-Y70 HydrophobicContact CG2-CD1 3.53Å; V61-Y70 HydrophobicContact CG2-CD2 4.26Å; V61-Y70 HydrophobicContact CG2-CE1 4.11Å; V61-Y70 HydrophobicContact CG2-CG 3.61Å; V61-I85 HydrophobicContact CG1-CD1 3.86Å; V61-I85 HydrophobicContact CG1-CG1 4.09Å; V61-I85 HydrophobicContact CG1-CG2 3.73Å; V61-I85 HydrophobicContact CG2-CD1 4.49Å; V61-V99 HydrophobicContact CG1-CG1 4.05Å; V61-E100 CarbonylContact C-O 3.54Å; V61-E100 VanDerWaalsContact CA-O 3.3Å; V61-E100 WeakPolarHBondContact CA-O 3.32Å; V61-V101 HydrophobicContact CG1-CG2 4.42Å; V61-V101 HydrophobicContact CG2-CG1 4.27Å; V61-V101 HydrophobicContact CG2-CG2 4.27Å
62	S	98.6	Very high	97.9	Very high	20 Å²	20	59.6 Å²	59.6	14%	0.14	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.1	170.3	74.9	0	0	0	0	111.6	Q66 V99 E100	S62-Q66 CarbonylContact C-O 3.57Å; S62-Q66 WeakPolarHBondContact CA-O 3.38Å; S62-Q66 VanDerWaalsContact CB-O 3.31Å; S62-Q66 WeakPolarHBondContact CB-O 3.48Å; S62-V99 CarbonylContact O-C 3.52Å; S62-V99 WeakPolarHBondContact O-CA 3.29Å; S62-E100 PolarHBondContact N-O 2.73Å; S62-E100 PolarHBondContact O-N 2.96Å
63	V	98.4	Very high	97.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	115.4	179.1	177.5	0	0	0	0	106.9	Q65 Q66 A68 I85 L87 P88 F89 V97 I98 V99	V63-Q65 PolarHBondContact O-N 3.23Å; V63-Q66 PolarHBondContact N-O 3.02Å; V63-Q66 WeakPolarHBondContact O-CB 3.49Å; V63-Q66 PolarHBondContact O-N 3.1Å; V63-A68 HydrophobicContact CB-CB 4.29Å; V63-A68 HydrophobicContact CG2-CB 3.53Å; V63-I85 HydrophobicContact CG2-CG2 4.42Å; V63-L87 HydrophobicContact CB-CD2 4.41Å; V63-L87 HydrophobicContact CG1-CD2 3.87Å; V63-L87 HydrophobicContact CG2-CD2 3.61Å; V63-P88 HydrophobicContact CB-CG 4.2Å; V63-P88 HydrophobicContact CG1-CG 4.42Å; V63-F89 HydrophobicContact CG1-CE1 4.45Å; V63-F89 HydrophobicContact CG1-CE2 4.41Å; V63-F89 HydrophobicContact CG1-CZ 3.85Å; V63-V97 HydrophobicContact CG1-CG2 3.26Å; V63-I98 WeakPolarHBondContact CA-O 3.44Å; V63-V99 HydrophobicContact CG2-CG1 4.46Å; V63-V99 HydrophobicContact CG2-CG2 4.31Å
64	N	96.9	Very high	97.8	Very high	75 Å²	75	66 Å²	66	40%	0.401	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	46.3	-170.5	-68.2	-9.5	0	0	0	112.4	Q66 V97 I98	N64-Q66 PolarHBondContact O-N 3.09Å; N64-V97 WeakPolarHBondContact OD1-CG2 3.34Å; N64-I98 PolarHBondContact N-O 3.18Å; N64-I98 PolarHBondContact OD1-N 3Å
65	Q	95.3	Very high	97.7	Very high	189 Å²	189	71.5 Å²	71.5	88%	0.883	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	4.2	-178.5	-51.2	174.3	-0.9	0	0	115.5	V63	V63-Q65 PolarHBondContact O-N 3.23Å
66	Q	97.2	Very high	97.8	Very high	109 Å²	109	70.7 Å²	70.7	51%	0.509	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133.4	171.2	-59.5	-177.8	5.4	0	0	109.6	S62 V63 N64 A68 P88	S62-Q66 CarbonylContact C-O 3.57Å; S62-Q66 WeakPolarHBondContact CA-O 3.38Å; S62-Q66 VanDerWaalsContact CB-O 3.31Å; S62-Q66 WeakPolarHBondContact CB-O 3.48Å; V63-Q66 PolarHBondContact N-O 3.02Å; V63-Q66 WeakPolarHBondContact O-CB 3.49Å; V63-Q66 PolarHBondContact O-N 3.1Å; N64-Q66 PolarHBondContact O-N 3.09Å; Q66-A68 PolarHBondContact O-N 2.82Å; Q66-P88 HydrophobicContact CB-CG 4.42Å
67	T	97.6	Very high	97.5	Very high	131 Å²	131	74.6 Å²	74.6	80%	0.804	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.4	129.7	175.1	-56.1	0	0	0	0	110.2
68	A	97.9	Very high	97.2	Very high	7 Å²	7	70.2 Å²	70.2	6%	0.058	38%	0.382	C	S	.	.			trans	-113.5	147.5	177.2	0	0	0	0	0	110.6	V61 V63 Q66 I85	V61-A68 HydrophobicContact CG1-CB 4.24Å; V61-A68 PolarHBondContact O-N 2.89Å; V63-A68 HydrophobicContact CB-CB 4.29Å; V63-A68 HydrophobicContact CG2-CB 3.53Å; Q66-A68 PolarHBondContact O-N 2.82Å; A68-I85 HydrophobicContact CB-CG2 4.28Å
69	H	98.1	Very high	97.1	Very high	119 Å²	119	70.6 Å²	70.6	55%	0.551	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	138.3	172.1	179.4	-89.8	0	0	0	109.5	T86	H69-T86 PolarHBondContact O-N 2.94Å
70	Y	98.4	Very high	97	Very high	72 Å²	72	67 Å²	67	28%	0.282	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	152.7	173.2	72.9	-84	0	0	0	111.3	V58 V61 L83 V84	V58-Y70 HydrophobicContact CB-CE2 3.95Å; V58-Y70 HydrophobicContact CG1-CD2 4.12Å; V58-Y70 HydrophobicContact CG1-CE2 3.6Å; V58-Y70 PolarHBondContact O-OH 2.93Å; V61-Y70 HydrophobicContact CB-CD1 3.86Å; V61-Y70 HydrophobicContact CB-CG 4.28Å; V61-Y70 HydrophobicContact CG2-CD1 3.53Å; V61-Y70 HydrophobicContact CG2-CD2 4.26Å; V61-Y70 HydrophobicContact CG2-CE1 4.11Å; V61-Y70 HydrophobicContact CG2-CG 3.61Å; Y70-L83 HydrophobicContact CD2-CD1 3.63Å; Y70-L83 HydrophobicContact CG-CD1 4.26Å; Y70-V84 CarbonylContact C-O 3.45Å; Y70-V84 WeakPolarHBondContact CA-O 3.37Å
71	E	98.2	Very high	97	Very high	109 Å²	109	65.4 Å²	65.4	51%	0.509	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	148.1	174.1	62.9	-178.9	-171.1	0	0	110.7	V84	E71-V84 HydrophobicContact CG-CB 3.77Å; E71-V84 HydrophobicContact CG-CG1 4.37Å; E71-V84 HydrophobicContact CG-CG2 4.46Å; E71-V84 PolarHBondContact N-O 2.96Å; E71-V84 PolarHBondContact O-N 3.2Å
72	L	98.1	Very high	97	Very high	87 Å²	87	65.8 Å²	65.8	46%	0.455	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	120.9	169.4	-70.9	174.1	0	0	0	107.9	T81 L83	L72-T81 HydrophobicContact CB-CG2 3.88Å; L72-T81 HydrophobicContact CD2-CG2 4.15Å; L72-L83 HydrophobicContact CD2-CB 4.12Å; L72-L83 HydrophobicContact CD2-CD1 3.88Å
73	G	97.4	Very high	97	Very high	26 Å²	26	64.9 Å²	64.9	27%	0.268	34%	0.342	S	S	.	.			trans	-76.8	-163.8	179.9	0	0	0	0	0	113.6	T81 P82	G73-T81 WeakPolarHBondContact O-CG2 3.13Å; G73-P82 PolarHBondContact N-O 2.96Å
74	P	97.2	Very high	97	Very high	110 Å²	110	66 Å²	66	71%	0.714	35%	0.349	S	S	*	.			trans	-68.5	135.4	179.6	27.5	-33.2	0	0	0	111.4	P82	P74-P82 WeakPolarHBondContact O-CD 2.97Å
75	K	97.1	Very high	97.1	Very high	137 Å²	137	62.4 Å²	62.4	60%	0.596	33%	0.33	S	S	*	.			trans	-69.2	131.8	175.1	-176.5	167.7	179.2	162.6	0	110.6	D55	D55-K75 IonicContact OD1-NZ 3.36Å; D55-K75 PolarHBondContact OD1-NZ 3.11Å; D55-K75 IonicContact OD2-NZ 3.54Å
76	H	97.3	Very high	97.2	Very high	35 Å²	35	56.2 Å²	56.2	16%	0.162	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-105.3	150.5	170.5	-170.1	-63.2	0	0	0	110.1	F7 F78 K79 G80 E368	F7-H76 HydrophobicContact CE1-CB 4.46Å; F7-H76 HydrophobicContact CZ-CB 3.69Å; H76-F78 AromaticContact CE1-CD1 3.71Å; H76-F78 AromaticContact CE1-CE1 3.4Å; H76-F78 VanDerWaalsContact CE1-CE1 3.4Å; H76-F78 WeakPolarHBondContact CE1-CE1 3.28Å; H76-F78 AromaticContact CE1-CZ 3.84Å; H76-F78 AromaticContact ND1-CD1 3.98Å; H76-F78 PolarHBondContact ND1-N 2.89Å; H76-F78 PolarHBondContact O-N 2.89Å; H76-K79 HydrophobicContact CB-CB 4.05Å; H76-K79 VanDerWaalsContact NE2-CE 3.34Å; H76-K79 WeakPolarHBondContact NE2-CE 3.38Å; H76-G80 WeakPolarHBondContact CB-O 3.4Å; H76-G80 PolarHBondContact N-O 2.93Å; H76-G80 PolarHBondContact O-N 2.78Å; H76-E368 IonicContact CE1-OE2 3.13Å; H76-E368 IonicContact NE2-OE1 3.6Å; H76-E368 IonicContact NE2-OE2 3.36Å; H76-E368 PolarHBondContact NE2-OE2 2.83Å
77	S	92.4	Very high	97.3	Very high	94 Å²	94	51.4 Å²	51.4	66%	0.657	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-60.9	-177	54.6	0	0	0	0	114.3
78	F	91.4	Very high	97.2	Very high	12 Å²	12	48.2 Å²	48.2	5%	0.053	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-32.7	-178.5	63.8	-94.8	0	0	0	113.9	R54 H76 G80 H135 V369 N370	R54-F78 PolarHBondContact NH1-O 2.82Å; H76-F78 AromaticContact CE1-CD1 3.71Å; H76-F78 AromaticContact CE1-CE1 3.4Å; H76-F78 VanDerWaalsContact CE1-CE1 3.4Å; H76-F78 WeakPolarHBondContact CE1-CE1 3.28Å; H76-F78 AromaticContact CE1-CZ 3.84Å; H76-F78 AromaticContact ND1-CD1 3.98Å; H76-F78 PolarHBondContact ND1-N 2.89Å; H76-F78 PolarHBondContact O-N 2.89Å; F78-G80 PolarHBondContact O-N 2.96Å; F78-H135 AromaticContact CD2-NE2 3.98Å; F78-V369 VanDerWaalsContact CZ-O 3.29Å; F78-V369 WeakPolarHBondContact CZ-O 3.14Å; F78-N370 HydrophobicContact CB-CB 4Å; F78-N370 HydrophobicContact CD1-CB 4Å; F78-N370 HydrophobicContact CD2-CB 4.27Å; F78-N370 HydrophobicContact CG-CB 3.85Å
79	K	95.7	Very high	97.2	Very high	18 Å²	18	51.1 Å²	51.1	8%	0.078	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.7	-178.1	-55.1	-179.8	-160.3	177.2	0	113.3	P4 F7 H76 R138 E368	P4-K79 WeakPolarHBondContact O-CE 3.35Å; P4-K79 PolarHBondContact O-NZ 3.24Å; F7-K79 HydrophobicContact CD2-CB 4.32Å; F7-K79 HydrophobicContact CE1-CB 4.41Å; F7-K79 HydrophobicContact CE1-CD 4.41Å; F7-K79 HydrophobicContact CE2-CB 3.52Å; F7-K79 HydrophobicContact CZ-CB 3.59Å; F7-K79 HydrophobicContact CZ-CD 4.38Å; H76-K79 HydrophobicContact CB-CB 4.05Å; H76-K79 VanDerWaalsContact NE2-CE 3.34Å; H76-K79 WeakPolarHBondContact NE2-CE 3.38Å; K79-R138 WeakPolarHBondContact O-CD 3.42Å; K79-R138 PolarHBondContact O-NH1 2.94Å; K79-E368 IonicContact NZ-OE1 2.81Å; K79-E368 PolarHBondContact NZ-OE1 3.27Å
80	G	97	Very high	97.1	Very high	1 Å²	1	50 Å²	50	1%	0.01	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	86.8	-139.6	-175	0	0	0	0	0	111.8	S53 H76 F78	S53-G80 CarbonylContact O-C 3.57Å; S53-G80 WeakPolarHBondContact O-CA 3.48Å; H76-G80 WeakPolarHBondContact CB-O 3.4Å; H76-G80 PolarHBondContact N-O 2.93Å; H76-G80 PolarHBondContact O-N 2.78Å; F78-G80 PolarHBondContact O-N 2.96Å
81	T	98.1	Very high	97.1	Very high	18 Å²	18	46.9 Å²	46.9	11%	0.11	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130	-175.5	-56.5	0	0	0	0	109.7	S53 L72 G73 L83	S53-T81 PolarHBondContact N-O 3.12Å; S53-T81 VanDerWaalsContact N-O 3.14Å; S53-T81 PolarHBondContact O-N 2.91Å; S53-T81 VanDerWaalsContact O-O 3.06Å; S53-T81 PolarHBondContact OG-O 2.8Å; L72-T81 HydrophobicContact CB-CG2 3.88Å; L72-T81 HydrophobicContact CD2-CG2 4.15Å; G73-T81 WeakPolarHBondContact O-CG2 3.13Å; T81-L83 PolarHBondContact O-N 2.84Å
82	P	98.4	Very high	97.1	Very high	13 Å²	13	44.5 Å²	44.5	8%	0.084	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	129	173.8	27.6	-31.2	0	0	0	109.9	F7 T50 G73 P74	F7-P82 HydrophobicContact CB-CB 3.87Å; F7-P82 HydrophobicContact CD1-CB 4.17Å; F7-P82 HydrophobicContact CD1-CG 4.24Å; F7-P82 HydrophobicContact CD2-CB 4.01Å; F7-P82 HydrophobicContact CD2-CG 4.48Å; F7-P82 HydrophobicContact CE1-CG 4.38Å; F7-P82 HydrophobicContact CG-CB 3.77Å; F7-P82 HydrophobicContact CG-CG 4.28Å; T50-P82 HydrophobicContact CG2-CB 3.81Å; G73-P82 PolarHBondContact N-O 2.96Å; P74-P82 WeakPolarHBondContact O-CD 2.97Å
83	L	98.7	Very high	97	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	106.8	168.7	173.1	62.8	0	0	0	108	T50 L51 V58 Y70 L72 T81 I85 V101 P142	T50-L83 WeakPolarHBondContact CA-O 3.28Å; L51-L83 HydrophobicContact CB-CB 4.34Å; L51-L83 HydrophobicContact CD1-CD2 4.42Å; L51-L83 PolarHBondContact N-O 2.88Å; L51-L83 PolarHBondContact O-N 2.85Å; V58-L83 HydrophobicContact CG2-CD1 4.46Å; V58-L83 HydrophobicContact CG2-CD2 4.19Å; Y70-L83 HydrophobicContact CD2-CD1 3.63Å; Y70-L83 HydrophobicContact CG-CD1 4.26Å; L72-L83 HydrophobicContact CD2-CB 4.12Å; L72-L83 HydrophobicContact CD2-CD1 3.88Å; T81-L83 PolarHBondContact O-N 2.84Å; L83-I85 HydrophobicContact CD2-CD1 4.23Å; L83-I85 HydrophobicContact CG-CD1 4.25Å; L83-I85 HydrophobicContact CG-CG1 4.13Å; L83-V101 HydrophobicContact CD2-CG1 4.26Å; L83-P142 HydrophobicContact CD2-CB 4.04Å
84	V	98.6	Very high	97.1	Very high	24 Å²	24	49 Å²	49	15%	0.145	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.8	-178.8	-177.1	0	0	0	0	108.8	V48 T50 Y70 E71	V48-V84 HydrophobicContact CG1-CG1 3.58Å; T50-V84 HydrophobicContact CG2-CG2 4.4Å; Y70-V84 CarbonylContact C-O 3.45Å; Y70-V84 WeakPolarHBondContact CA-O 3.37Å; E71-V84 HydrophobicContact CG-CB 3.77Å; E71-V84 HydrophobicContact CG-CG1 4.37Å; E71-V84 HydrophobicContact CG-CG2 4.46Å; E71-V84 PolarHBondContact N-O 2.96Å; E71-V84 PolarHBondContact O-N 3.2Å
85	I	98.6	Very high	97.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.6	-175.7	-59.9	168.2	0	0	0	108.2	V48 L49 L51 V61 V63 A68 L83 V99 V101	V48-I85 WeakPolarHBondContact CA-O 3.42Å; L49-I85 HydrophobicContact CB-CB 4.38Å; L49-I85 HydrophobicContact CD2-CD1 4.38Å; L49-I85 PolarHBondContact N-O 3.37Å; L49-I85 PolarHBondContact O-N 2.89Å; L51-I85 HydrophobicContact CD1-CD1 3.97Å; L51-I85 HydrophobicContact CG-CD1 4.45Å; V61-I85 HydrophobicContact CG1-CD1 3.86Å; V61-I85 HydrophobicContact CG1-CG1 4.09Å; V61-I85 HydrophobicContact CG1-CG2 3.73Å; V61-I85 HydrophobicContact CG2-CD1 4.49Å; V63-I85 HydrophobicContact CG2-CG2 4.42Å; A68-I85 HydrophobicContact CB-CG2 4.28Å; L83-I85 HydrophobicContact CD2-CD1 4.23Å; L83-I85 HydrophobicContact CG-CD1 4.25Å; L83-I85 HydrophobicContact CG-CG1 4.13Å; I85-V99 HydrophobicContact CD1-CG1 3.83Å; I85-V99 HydrophobicContact CG2-CG1 4.42Å; I85-V101 HydrophobicContact CD1-CG2 4.26Å
86	T	98.4	Very high	97.2	Very high	59 Å²	59	46.5 Å²	46.5	36%	0.362	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	117.1	173.3	-49.9	0	0	0	0	109	H69	H69-T86 PolarHBondContact O-N 2.94Å
87	L	98	Very high	97.2	Very high	7 Å²	7	45 Å²	45	4%	0.037	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	142.7	174.5	-55.7	-175.5	0	0	0	109.7	F46 S47 V63 F89 L91 V99	F46-L87 HydrophobicContact CD1-CD1 3.79Å; F46-L87 HydrophobicContact CE1-CD1 3.8Å; S47-L87 PolarHBondContact O-N 3.02Å; V63-L87 HydrophobicContact CB-CD2 4.41Å; V63-L87 HydrophobicContact CG1-CD2 3.87Å; V63-L87 HydrophobicContact CG2-CD2 3.61Å; L87-F89 VanDerWaalsContact CB-O 3.27Å; L87-F89 WeakPolarHBondContact CB-O 3.31Å; L87-F89 PolarHBondContact O-N 3.41Å; L87-L91 HydrophobicContact CD1-CD1 3.81Å; L87-L91 HydrophobicContact CD1-CG 3.96Å; L87-V99 HydrophobicContact CD2-CG2 4.31Å
88	P	97.2	Very high	97.5	Very high	65 Å²	65	43.9 Å²	43.9	42%	0.422	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-4	177.8	27.2	-30.5	0	0	0	113.4	V63 Q66	V63-P88 HydrophobicContact CB-CG 4.2Å; V63-P88 HydrophobicContact CG1-CG 4.42Å; Q66-P88 HydrophobicContact CB-CG 4.42Å
89	F	96.3	Very high	97.9	Very high	68 Å²	68	43.3 Å²	43.3	30%	0.298	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	158.3	178.4	45	-101	0	0	0	110.2	V63 L87 L91 V97	V63-F89 HydrophobicContact CG1-CE1 4.45Å; V63-F89 HydrophobicContact CG1-CE2 4.41Å; V63-F89 HydrophobicContact CG1-CZ 3.85Å; L87-F89 VanDerWaalsContact CB-O 3.27Å; L87-F89 WeakPolarHBondContact CB-O 3.31Å; L87-F89 PolarHBondContact O-N 3.41Å; F89-L91 HydrophobicContact CD2-CD2 4.02Å; F89-L91 HydrophobicContact CE2-CD2 3.85Å; F89-V97 HydrophobicContact CE2-CG2 4.11Å; F89-V97 HydrophobicContact CZ-CG2 4.1Å
90	D	96.6	Very high	98	Very high	94 Å²	94	43.9 Å²	43.9	50%	0.503	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	144.2	175.4	-72.7	3.2	0	0	0	111.3	S47	S47-D90 WeakPolarHBondContact CB-OD1 3.16Å
91	L	97.4	Very high	98.1	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141.2	169	-60.7	-178.4	0	0	0	111.1	A41 R45 F46 L87 F89 Q95 V97	A41-L91 HydrophobicContact CB-CB 3.86Å; A41-L91 HydrophobicContact CB-CD1 4.29Å; R45-L91 WeakPolarHBondContact CA-O 3.44Å; R45-L91 PolarHBondContact N-O 3.06Å; F46-L91 HydrophobicContact CB-CB 4.29Å; F46-L91 HydrophobicContact CD1-CB 4.4Å; F46-L91 HydrophobicContact CD1-CD1 4.05Å; F46-L91 PolarHBondContact N-O 3.12Å; F46-L91 PolarHBondContact O-N 2.88Å; L87-L91 HydrophobicContact CD1-CD1 3.81Å; L87-L91 HydrophobicContact CD1-CG 3.96Å; F89-L91 HydrophobicContact CD2-CD2 4.02Å; F89-L91 HydrophobicContact CE2-CD2 3.85Å; L91-Q95 HydrophobicContact CB-CB 4.33Å; L91-Q95 HydrophobicContact CD2-CB 4.24Å; L91-V97 HydrophobicContact CD1-CB 3.88Å; L91-V97 HydrophobicContact CD1-CG1 3.72Å; L91-V97 HydrophobicContact CD2-CB 4.5Å
92	S	98.2	Very high	98.2	Very high	59 Å²	59	44.9 Å²	44.9	41%	0.413	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-83.1	158.6	164.9	-58.2	0	0	0	0	111.1	E43 G94 Q95	E43-S92 CarbonylContact O-C 3.46Å; S92-G94 PolarHBondContact O-N 2.88Å; S92-Q95 WeakPolarHBondContact O-CB 3.35Å; S92-Q95 PolarHBondContact O-N 3.49Å
93	R	98	Very high	98.2	Very high	162 Å²	162	44.6 Å²	44.6	61%	0.611	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	129.7	175.6	178.5	-172.7	-70.5	-87.2	-6.6	110.8	L42 E43 D44 Q95	L42-R93 PolarHBondContact O-NH1 2.93Å; L42-R93 PolarHBondContact O-NH2 2.8Å; E43-R93 PolarHBondContact O-N 3.2Å; D44-R93 PolarHBondContact OD1-N 3.03Å; R93-Q95 VanDerWaalsContact C-N 3.31Å
94	G	98.1	Very high	98.2	Very high	46 Å²	46	46.2 Å²	46.2	47%	0.474	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-7.9	179.9	0	0	0	0	0	114.8	A41 S92	A41-G94 PolarHBondContact O-N 3.07Å; S92-G94 PolarHBondContact O-N 2.88Å
95	Q	98.2	Very high	98.2	Very high	91 Å²	91	45.2 Å²	45.2	43%	0.425	24%	0.24	S	C	.	.			trans	-72.6	148	172.4	-69.9	-174.9	-31.3	0	0	111.1	E40 A41 L91 S92 R93	E40-Q95 WeakPolarHBondContact CA-O 3.43Å; A41-Q95 PolarHBondContact N-O 3.49Å; L91-Q95 HydrophobicContact CB-CB 4.33Å; L91-Q95 HydrophobicContact CD2-CB 4.24Å; S92-Q95 WeakPolarHBondContact O-CB 3.35Å; S92-Q95 PolarHBondContact O-N 3.49Å; R93-Q95 VanDerWaalsContact C-N 3.31Å
96	Q	98.2	Very high	98.1	Very high	103 Å²	103	46.4 Å²	46.4	48%	0.481	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	149.7	177.8	-66.9	-176.3	0.3	0	0	111.5	T38 V39 E40	T38-Q96 HydrophobicContact CG2-CB 4.44Å; V39-Q96 CarbonylContact O-C 3.56Å; V39-Q96 WeakPolarHBondContact O-CA 3.49Å; E40-Q96 HydrophobicContact CB-CG 3.89Å; E40-Q96 HydrophobicContact CG-CG 4.11Å; E40-Q96 PolarHBondContact OE2-NE2 3.15Å
97	V	98.3	Very high	97.9	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.018	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	153.3	176.3	74	0	0	0	0	110.1	T38 V39 V63 N64 F89 L91 V99	T38-V97 WeakPolarHBondContact CA-O 3.42Å; V39-V97 HydrophobicContact CB-CG1 4.17Å; V39-V97 PolarHBondContact N-O 2.71Å; V39-V97 PolarHBondContact O-N 3.43Å; V63-V97 HydrophobicContact CG1-CG2 3.26Å; N64-V97 WeakPolarHBondContact OD1-CG2 3.34Å; F89-V97 HydrophobicContact CE2-CG2 4.11Å; F89-V97 HydrophobicContact CZ-CG2 4.1Å; L91-V97 HydrophobicContact CD1-CB 3.88Å; L91-V97 HydrophobicContact CD1-CG1 3.72Å; L91-V97 HydrophobicContact CD2-CB 4.5Å; V97-V99 HydrophobicContact CG1-CG2 3.93Å
98	I	98.8	Very high	97.5	Very high	72 Å²	72	50.8 Å²	50.8	37%	0.369	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.2	170.8	-61	174	0	0	0	108.3	Q36 L37 V63 N64	Q36-I98 HydrophobicContact CB-CG2 3.91Å; Q36-I98 HydrophobicContact CG-CG2 4.32Å; L37-I98 WeakPolarHBondContact O-CA 3.37Å; V63-I98 WeakPolarHBondContact CA-O 3.44Å; N64-I98 PolarHBondContact N-O 3.18Å; N64-I98 PolarHBondContact OD1-N 3Å
99	V	98.8	Very high	97.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	119.3	171.5	-174.6	0	0	0	0	108.2	Q36 L37 V39 L49 V61 S62 V63 I85 L87 V97 V101	Q36-V99 CarbonylContact C-O 3.32Å; Q36-V99 WeakPolarHBondContact CA-O 3.34Å; L37-V99 WeakPolarHBondContact CD1-O 3.34Å; L37-V99 PolarHBondContact N-O 3.06Å; L37-V99 PolarHBondContact O-N 3.41Å; V39-V99 HydrophobicContact CG2-CG2 4.14Å; L49-V99 HydrophobicContact CD2-CB 4.27Å; L49-V99 HydrophobicContact CD2-CG1 4.24Å; L49-V99 HydrophobicContact CD2-CG2 3.85Å; V61-V99 HydrophobicContact CG1-CG1 4.05Å; S62-V99 CarbonylContact O-C 3.52Å; S62-V99 WeakPolarHBondContact O-CA 3.29Å; V63-V99 HydrophobicContact CG2-CG1 4.46Å; V63-V99 HydrophobicContact CG2-CG2 4.31Å; I85-V99 HydrophobicContact CD1-CG1 3.83Å; I85-V99 HydrophobicContact CG2-CG1 4.42Å; L87-V99 HydrophobicContact CD2-CG2 4.31Å; V97-V99 HydrophobicContact CG1-CG2 3.93Å; V99-V101 HydrophobicContact CG1-CG2 4.43Å
100	E	98.9	Very high	97	Very high	30 Å²	30	49.1 Å²	49.1	14%	0.14	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.1	178.1	-175.9	177.5	91.5	0	0	110.5	K34 V35 Q36 V61 S62	K34-E100 HydrophobicContact CD-CG 4.07Å; K34-E100 WeakPolarHBondContact CD-OE2 3.28Å; K34-E100 WeakPolarHBondContact CE-OE1 2.98Å; K34-E100 WeakPolarHBondContact CE-OE2 3.44Å; K34-E100 HydrophobicContact CG-CG 3.8Å; K34-E100 IonicContact NZ-OE1 2.69Å; K34-E100 PolarHBondContact NZ-OE1 2.88Å; K34-E100 IonicContact NZ-OE2 3.87Å; K34-E100 PolarHBondContact NZ-OE2 3.15Å; V35-E100 CarbonylContact O-C 3.44Å; V35-E100 VanDerWaalsContact O-CA 3.27Å; V35-E100 WeakPolarHBondContact O-CA 3.42Å; Q36-E100 HydrophobicContact CG-CB 4.08Å; Q36-E100 HydrophobicContact CG-CG 3.85Å; Q36-E100 WeakPolarHBondContact CG-OE2 3.5Å; Q36-E100 PolarHBondContact NE2-OE2 3.17Å; V61-E100 CarbonylContact C-O 3.54Å; V61-E100 VanDerWaalsContact CA-O 3.3Å; V61-E100 WeakPolarHBondContact CA-O 3.32Å; S62-E100 PolarHBondContact N-O 2.73Å; S62-E100 PolarHBondContact O-N 2.96Å
101	V	98.9	Very high	96.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.6	176.4	-172.7	0	0	0	0	108.9	K34 V35 L37 L51 V58 V61 L83 I85 V99 Y103 P142	K34-V101 WeakPolarHBondContact CA-O 3.15Å; V35-V101 HydrophobicContact CG1-CB 3.91Å; V35-V101 HydrophobicContact CG1-CG2 4.5Å; V35-V101 PolarHBondContact N-O 3.5Å; V35-V101 PolarHBondContact O-N 3.09Å; L37-V101 HydrophobicContact CD1-CG2 4.3Å; L51-V101 HydrophobicContact CD1-CG2 4.42Å; V58-V101 HydrophobicContact CG1-CG1 3.8Å; V58-V101 HydrophobicContact CG2-CG1 4.43Å; V61-V101 HydrophobicContact CG1-CG2 4.42Å; V61-V101 HydrophobicContact CG2-CG1 4.27Å; V61-V101 HydrophobicContact CG2-CG2 4.27Å; L83-V101 HydrophobicContact CD2-CG1 4.26Å; I85-V101 HydrophobicContact CD1-CG2 4.26Å; V99-V101 HydrophobicContact CG1-CG2 4.43Å; V101-Y103 HydrophobicContact CG1-CD1 4.32Å; V101-P142 HydrophobicContact CB-CG 4.01Å; V101-P142 HydrophobicContact CG1-CG 3.76Å; V101-P142 HydrophobicContact CG2-CG 4.46Å
102	T	98.9	Very high	96.7	Very high	40 Å²	40	45 Å²	45	25%	0.245	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129	169.5	-51.4	0	0	0	0	108.3	G33 S59 S60	G33-T102 WeakPolarHBondContact O-CA 3.48Å; S59-T102 PolarHBondContact N-O 3.15Å; S59-T102 WeakPolarHBondContact OG-CB 3.49Å; S59-T102 VanDerWaalsContact OG-CG2 3.29Å; S59-T102 WeakPolarHBondContact OG-CG2 3.42Å; S59-T102 PolarHBondContact OG-O 2.91Å; S60-T102 PolarHBondContact N-O 2.73Å; S60-T102 PolarHBondContact O-N 2.77Å; S60-T102 WeakPolarHBondContact OG-CB 3.23Å; S60-T102 PolarHBondContact OG-OG1 3.28Å
103	Y	98.8	Very high	96.4	Very high	6 Å²	6	42.6 Å²	42.6	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	171.6	-171.8	67.6	-83	0	0	0	112.5	G33 V35 L56 N57 V101 T105 M140 P142	G33-Y103 PolarHBondContact N-O 2.71Å; G33-Y103 WeakPolarHBondContact O-CD1 3.17Å; G33-Y103 PolarHBondContact O-N 2.75Å; G33-Y103 VanDerWaalsContact O-O 3.12Å; V35-Y103 HydrophobicContact CB-CE1 4.16Å; V35-Y103 HydrophobicContact CG1-CD1 4.3Å; V35-Y103 HydrophobicContact CG1-CE1 3.77Å; L56-Y103 HydrophobicContact CD1-CD2 4.25Å; L56-Y103 HydrophobicContact CD2-CD2 4.12Å; L56-Y103 HydrophobicContact CD2-CE2 4.46Å; N57-Y103 CarbonylContact O-C 3.53Å; N57-Y103 WeakPolarHBondContact O-CA 3.22Å; N57-Y103 WeakPolarHBondContact O-CB 3.32Å; V101-Y103 HydrophobicContact CG1-CD1 4.32Å; Y103-T105 HydrophobicContact CE2-CG2 4.31Å; Y103-M140 WeakPolarHBondContact CE2-O 3.45Å; Y103-M140 PolarHBondContact OH-O 3.15Å; Y103-P142 HydrophobicContact CD1-CG 3.84Å; Y103-P142 VanDerWaalsContact CE1-CD 3.43Å; Y103-P142 HydrophobicContact CE1-CG 4.05Å; Y103-P142 HydrophobicContact CG-CG 4.26Å
104	E	98.8	Very high	96.3	Very high	34 Å²	34	36.1 Å²	36.1	16%	0.159	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	139.5	170.2	-172.9	175.5	78.3	0	0	109.6	R28 V30 I31 R32 N57	R28-E104 IonicContact CZ-OE1 3.49Å; R28-E104 IonicContact CZ-OE2 3.53Å; R28-E104 VanDerWaalsContact CZ-OE2 3.24Å; R28-E104 IonicContact NH1-OE1 2.73Å; R28-E104 IonicContact NH1-OE2 3.54Å; R28-E104 PolarHBondContact NH1-OE2 3.12Å; R28-E104 IonicContact NH2-OE1 3.07Å; R28-E104 PolarHBondContact NH2-OE1 2.92Å; R28-E104 IonicContact NH2-OE2 2.68Å; R28-E104 PolarHBondContact NH2-OE2 3.5Å; V30-E104 HydrophobicContact CB-CG 3.76Å; V30-E104 HydrophobicContact CG1-CG 4.15Å; V30-E104 HydrophobicContact CG2-CG 3.87Å; I31-E104 WeakPolarHBondContact O-CA 3.19Å; R32-E104 HydrophobicContact CG-CG 4.02Å; R32-E104 WeakPolarHBondContact CG-OE2 3.23Å; N57-E104 HydrophobicContact CB-CB 4.4Å; N57-E104 PolarHBondContact N-O 3.48Å; N57-E104 PolarHBondContact O-N 3Å
105	T	98.8	Very high	96	Very high	3 Å²	3	34 Å²	34	2%	0.018	18%	0.181	C	C	.	.			trans	-74.5	156.1	175.1	66.5	0	0	0	0	111.4	V30 I31 L56 Y103 L112	V30-T105 WeakPolarHBondContact CG1-O 3.47Å; I31-T105 HydrophobicContact CB-CG2 3.96Å; I31-T105 PolarHBondContact N-OG1 3.16Å; I31-T105 PolarHBondContact O-N 3.23Å; L56-T105 HydrophobicContact CD2-CG2 4.08Å; Y103-T105 HydrophobicContact CE2-CG2 4.31Å; T105-L112 HydrophobicContact CG2-CD1 4.24Å
106	S	96.8	Very high	95.6	Very high	25 Å²	25	32.2 Å²	32.2	18%	0.175	18%	0.176	C	C	.	.			trans	-69.6	148.1	165.5	178.3	0	0	0	0	111.5	D55 S108 A109	D55-S106 WeakPolarHBondContact O-CB 3.4Å; D55-S106 PolarHBondContact O-N 3.35Å; S106-S108 PolarHBondContact O-N 2.86Å; S106-S108 VanDerWaalsContact O-N 3.17Å; S106-S108 PolarHBondContact OG-N 2.77Å; S106-S108 PolarHBondContact OG-OG 2.83Å; S106-A109 WeakPolarHBondContact O-CB 3.29Å; S106-A109 PolarHBondContact O-N 2.89Å
107	P	93.8	Very high	95.3	Very high	78 Å²	78	29.1 Å²	29.1	51%	0.506	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-24.6	163.8	-26.5	36.2	0	0	0	114.3	H29 V30	H29-P107 HydrophobicContact CB-CB 4.15Å; H29-P107 VanDerWaalsContact O-CA 3.29Å; H29-P107 WeakPolarHBondContact O-CA 3.44Å; V30-P107 HydrophobicContact CG1-CG 3.99Å
108	S	90.3	Very high	94.6	Very high	81 Å²	81	35.1 Å²	35.1	57%	0.566	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	20.3	175.5	61.8	0	0	0	0	113.4	S106 F110	S106-S108 PolarHBondContact O-N 2.86Å; S106-S108 VanDerWaalsContact O-N 3.17Å; S106-S108 PolarHBondContact OG-N 2.77Å; S106-S108 PolarHBondContact OG-OG 2.83Å; S108-F110 PolarHBondContact O-N 3.02Å; S108-F110 VanDerWaalsContact O-N 3.16Å
109	A	93.4	Very high	93.8	Very high	3 Å²	3	33.8 Å²	33.8	3%	0.025	19%	0.185	C	C	.	.			trans	-53.1	122.1	177.6	0	0	0	0	0	110.6	S106 A111 L112 S139	S106-A109 WeakPolarHBondContact O-CB 3.29Å; S106-A109 PolarHBondContact O-N 2.89Å; A109-A111 PolarHBondContact O-N 3.07Å; A109-L112 HydrophobicContact CB-CB 4.27Å; A109-L112 HydrophobicContact CB-CD1 4.12Å; A109-L112 HydrophobicContact CB-CG 4.18Å; A109-L112 PolarHBondContact O-N 3Å; A109-L112 VanDerWaalsContact O-O 3.13Å; A109-S139 WeakPolarHBondContact CB-O 3.49Å
110	F	89.5	Confident	93.3	Very high	95 Å²	95	33.9 Å²	33.9	42%	0.417	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.7	-172.8	-90.7	-104.7	0	0	0	113.3	R54 S108 L112 S139	R54-F110 VanDerWaalsContact NH2-CD2 3.29Å; R54-F110 VanDerWaalsContact NH2-CE1 3.28Å; S108-F110 PolarHBondContact O-N 3.02Å; S108-F110 VanDerWaalsContact O-N 3.16Å; F110-L112 VanDerWaalsContact C-N 3.27Å; F110-L112 PolarHBondContact O-N 3.03Å; F110-S139 PolarHBondContact N-OG 2.79Å
111	A	93.8	Very high	92.8	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.017	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.3	176.3	0	0	0	0	0	113.5	A109 S130 Q131 H136 S139 M140	A109-A111 PolarHBondContact O-N 3.07Å; A111-S130 CarbonylContact O-C 3.49Å; A111-S130 WeakPolarHBondContact O-CA 3.41Å; A111-Q131 WeakPolarHBondContact CA-O 3.48Å; A111-Q131 PolarHBondContact O-N 3.36Å; A111-H136 HydrophobicContact CB-CB 3.88Å; A111-H136 VanDerWaalsContact CB-O 3.28Å; A111-H136 WeakPolarHBondContact CB-O 3.22Å; A111-S139 VanDerWaalsContact CB-OG 3.25Å; A111-S139 WeakPolarHBondContact CB-OG 3.26Å; A111-S139 PolarHBondContact N-OG 2.88Å; A111-M140 HydrophobicContact CB-CB 4.06Å
112	L	94.5	Very high	92.3	Very high	12 Å²	12	34.4 Å²	34.4	6%	0.063	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.6	-168	-60.1	-178	0	0	0	111.2	I31 T105 A109 F110 W114 L128 M140 I201	I31-L112 HydrophobicContact CD1-CD1 3.63Å; I31-L112 HydrophobicContact CD1-CD2 4.08Å; I31-L112 HydrophobicContact CG1-CD1 3.87Å; T105-L112 HydrophobicContact CG2-CD1 4.24Å; A109-L112 HydrophobicContact CB-CB 4.27Å; A109-L112 HydrophobicContact CB-CD1 4.12Å; A109-L112 HydrophobicContact CB-CG 4.18Å; A109-L112 PolarHBondContact O-N 3Å; A109-L112 VanDerWaalsContact O-O 3.13Å; F110-L112 VanDerWaalsContact C-N 3.27Å; F110-L112 PolarHBondContact O-N 3.03Å; L112-W114 HydrophobicContact CD1-CZ2 4.21Å; L112-L128 HydrophobicContact CB-CD1 4Å; L112-L128 HydrophobicContact CD2-CD1 4.15Å; L112-L128 HydrophobicContact CG-CD1 4.47Å; L112-M140 HydrophobicContact CD2-CG 4.07Å; L112-M140 HydrophobicContact CD2-SD 3.69Å; L112-I201 HydrophobicContact CD2-CG2 4.43Å
113	Q	92	Very high	91.8	Very high	9 Å²	9	38.6 Å²	38.6	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.7	164.5	-168	176.9	20.8	0	0	110.3	L115 L128 F129 S261 H593	Q113-L115 HydrophobicContact CG-CD2 3.89Å; Q113-L115 HydrophobicContact CG-CG 4.42Å; Q113-L128 WeakPolarHBondContact O-CA 3.42Å; Q113-L128 WeakPolarHBondContact O-CD1 3.42Å; Q113-F129 HydrophobicContact CB-CD1 4.25Å; Q113-F129 HydrophobicContact CB-CE1 3.81Å; Q113-F129 HydrophobicContact CB-CE2 4.09Å; Q113-F129 HydrophobicContact CB-CZ 3.76Å; Q113-F129 HydrophobicContact CG-CE1 4.19Å; Q113-F129 HydrophobicContact CG-CZ 4.3Å; Q113-F129 PolarHBondContact N-O 3.23Å; Q113-F129 PolarHBondContact O-N 2.84Å; Q113-F129 VanDerWaalsContact O-N 3.15Å; Q113-S261 PolarHBondContact OE1-OG 3.16Å; Q113-H593 VanDerWaalsContact NE2-CA 3.32Å; Q113-H593 PolarHBondContact OE1-CD2 2.8Å
114	W	94.1	Very high	91.5	Very high	26 Å²	26	46.5 Å²	46.5	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.1	170	-57.3	90.5	0	0	0	109.4	V24 F26 H29 V30 I31 L112 L128	V24-W114 HydrophobicContact CG1-CH2 3.71Å; V24-W114 HydrophobicContact CG1-CZ3 3.7Å; F26-W114 AromaticContact CD1-CE3 3.59Å; F26-W114 HydrophobicContact CD1-CE3 3.59Å; F26-W114 AromaticContact CD1-CZ3 3.69Å; F26-W114 HydrophobicContact CD1-CZ3 3.69Å; F26-W114 AromaticContact CE1-CE3 3.79Å; F26-W114 HydrophobicContact CE1-CE3 3.79Å; F26-W114 AromaticContact CE1-CZ3 3.9Å; F26-W114 HydrophobicContact CE1-CZ3 3.9Å; F26-W114 HydrophobicContact CG-CE3 4.35Å; F26-W114 HydrophobicContact CG-CZ3 4.03Å; F26-W114 HydrophobicContact CZ-CZ3 4.4Å; H29-W114 HydrophobicContact CB-CB 4.41Å; H29-W114 HydrophobicContact CB-CD2 3.84Å; H29-W114 HydrophobicContact CB-CE3 4.43Å; H29-W114 HydrophobicContact CB-CG 3.8Å; H29-W114 AromaticContact CD2-CD2 3.95Å; H29-W114 AromaticContact CD2-CE3 3.93Å; H29-W114 AromaticContact CD2-CG 3.89Å; H29-W114 AromaticContact CG-CG 3.91Å; H29-W114 VanDerWaalsContact O-CE2 3.26Å; H29-W114 WeakPolarHBondContact O-CZ2 3.05Å; H29-W114 PolarHBondContact O-NE1 3.49Å; H29-W114 VanDerWaalsContact O-NE1 3.12Å; V30-W114 WeakPolarHBondContact O-CH2 3.46Å; I31-W114 HydrophobicContact CG1-CH2 4.27Å; I31-W114 HydrophobicContact CG1-CZ2 4.12Å; L112-W114 HydrophobicContact CD1-CZ2 4.21Å; W114-L128 HydrophobicContact CD2-CD1 3.76Å; W114-L128 HydrophobicContact CE3-CB 4.18Å; W114-L128 HydrophobicContact CE3-CD1 4.02Å; W114-L128 HydrophobicContact CE3-CD2 4.45Å; W114-L128 HydrophobicContact CE3-CG 4.45Å; W114-L128 HydrophobicContact CG-CD1 4.26Å; W114-L128 HydrophobicContact CH2-CD1 4.33Å; W114-L128 HydrophobicContact CH2-CD2 3.79Å; W114-L128 HydrophobicContact CZ2-CD1 4.05Å; W114-L128 HydrophobicContact CZ2-CD2 4.15Å; W114-L128 HydrophobicContact CZ3-CB 4.29Å; W114-L128 HydrophobicContact CZ3-CD1 4.3Å; W114-L128 HydrophobicContact CZ3-CD2 3.94Å; W114-L128 HydrophobicContact CZ3-CG 4.41Å
115	L	91.9	Very high	91.4	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.2	178.9	-59.6	-179.4	0	0	0	109.7	Q113 Q119 T120 P126 Y127 F129 P259	Q113-L115 HydrophobicContact CG-CD2 3.89Å; Q113-L115 HydrophobicContact CG-CG 4.42Å; L115-Q119 HydrophobicContact CB-CB 4.03Å; L115-Q119 HydrophobicContact CD2-CB 4.14Å; L115-T120 HydrophobicContact CB-CG2 4.36Å; L115-P126 VanDerWaalsContact O-CA 3.32Å; L115-P126 WeakPolarHBondContact O-CA 3.2Å; L115-P126 WeakPolarHBondContact O-CB 3.34Å; L115-Y127 WeakPolarHBondContact CB-O 3.22Å; L115-Y127 HydrophobicContact CD1-CD1 4.36Å; L115-Y127 PolarHBondContact N-O 2.76Å; L115-Y127 PolarHBondContact O-N 3.23Å; L115-F129 HydrophobicContact CD1-CE1 4.26Å; L115-P259 HydrophobicContact CD1-CB 3.78Å; L115-P259 HydrophobicContact CD1-CG 3.74Å
116	T	90.4	Very high	91.3	Very high	53 Å²	53	48.7 Å²	48.7	33%	0.325	26%	0.259	S	S	.	.			trans	-68.2	162	169.7	78	0	0	0	0	110.3	E118 Q119	T116-E118 VanDerWaalsContact CB-OE2 3.26Å; T116-E118 WeakPolarHBondContact CB-OE2 3.35Å; T116-E118 PolarHBondContact O-N 2.83Å; T116-E118 PolarHBondContact OG1-N 2.79Å; T116-E118 PolarHBondContact OG1-OE2 3.45Å; T116-Q119 WeakPolarHBondContact O-CB 3.46Å; T116-Q119 PolarHBondContact O-N 3.14Å
117	P	91.1	Very high	91.4	Very high	38 Å²	38	47.6 Å²	47.6	25%	0.247	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-49.5	-40.4	173.3	-29.8	37.8	0	0	0	113.6	Q119 T120 K123 Q125	P117-Q119 PolarHBondContact O-N 2.89Å; P117-T120 PolarHBondContact O-N 3.33Å; P117-T120 VanDerWaalsContact O-N 3.12Å; P117-T120 PolarHBondContact O-OG1 2.92Å; P117-K123 VanDerWaalsContact O-CA 3.22Å; P117-K123 WeakPolarHBondContact O-CA 3.42Å; P117-Q125 WeakPolarHBondContact CA-O 3.42Å
118	E	83.8	Confident	91.6	Very high	129 Å²	129	43.9 Å²	43.9	60%	0.603	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-65.3	-23.9	-178.2	-59.9	70.9	-151.3	0	0	113	T116 K123	T116-E118 VanDerWaalsContact CB-OE2 3.26Å; T116-E118 WeakPolarHBondContact CB-OE2 3.35Å; T116-E118 PolarHBondContact O-N 2.83Å; T116-E118 PolarHBondContact OG1-N 2.79Å; T116-E118 PolarHBondContact OG1-OE2 3.45Å; E118-K123 WeakPolarHBondContact O-CD 3.23Å; E118-K123 PolarHBondContact O-NZ 3.46Å
119	Q	83.8	Confident	91.9	Very high	44 Å²	44	40 Å²	40	21%	0.206	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-85.1	-15.2	178.4	-64.2	174.8	-78.6	0	0	113	L115 T116 P117 A591	L115-Q119 HydrophobicContact CB-CB 4.03Å; L115-Q119 HydrophobicContact CD2-CB 4.14Å; T116-Q119 WeakPolarHBondContact O-CB 3.46Å; T116-Q119 PolarHBondContact O-N 3.14Å; P117-Q119 PolarHBondContact O-N 2.89Å; Q119-A591 HydrophobicContact CG-CB 4.45Å; Q119-A591 VanDerWaalsContact NE2-CA 3.33Å; Q119-A591 PolarHBondContact NE2-O 3.42Å; Q119-A591 VanDerWaalsContact NE2-O 3.09Å
120	T	88.3	Confident	92.1	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	20%	0.198	C	C	.	.	S	Bend	trans	-84.9	164.3	178.7	69.3	0	0	0	0	111.8	L115 P117 K123 Q125 E220	L115-T120 HydrophobicContact CB-CG2 4.36Å; P117-T120 PolarHBondContact O-N 3.33Å; P117-T120 VanDerWaalsContact O-N 3.12Å; P117-T120 PolarHBondContact O-OG1 2.92Å; T120-K123 VanDerWaalsContact O-CD 3.23Å; T120-K123 WeakPolarHBondContact O-CD 3.48Å; T120-K123 WeakPolarHBondContact O-CE 3.19Å; T120-K123 PolarHBondContact O-NZ 2.89Å; T120-K123 PolarHBondContact OG1-N 3.42Å; T120-Q125 WeakPolarHBondContact CG2-O 3.19Å; T120-Q125 PolarHBondContact OG1-O 3.39Å; T120-Q125 VanDerWaalsContact OG1-O 3.06Å; T120-E220 WeakPolarHBondContact CB-OE2 3.21Å
121	A	87.9	Confident	92.3	Very high	23 Å²	23	35.9 Å²	35.9	19%	0.19	18%	0.181	C	C	.	.	S	Bend	trans	-65.7	-43.8	176.8	0	0	0	0	0	111.3	K123 E220 E222 F223	A121-K123 VanDerWaalsContact C-N 3.3Å; A121-K123 PolarHBondContact O-N 2.91Å; A121-E220 WeakPolarHBondContact CA-OE2 3.13Å; A121-E220 HydrophobicContact CB-CB 4.07Å; A121-E220 VanDerWaalsContact CB-CD 3.46Å; A121-E220 HydrophobicContact CB-CG 4.38Å; A121-E220 WeakPolarHBondContact CB-OE1 3.26Å; A121-E220 WeakPolarHBondContact CB-OE2 3.4Å; A121-E220 PolarHBondContact N-OE1 2.84Å; A121-E220 PolarHBondContact N-OE2 3.17Å; A121-E222 HydrophobicContact CB-CB 4.01Å; A121-E222 HydrophobicContact CB-CG 4.16Å; A121-F223 HydrophobicContact CB-CD2 3.9Å; A121-F223 HydrophobicContact CB-CE2 3.51Å
122	G	88.5	Confident	92.5	Very high	19 Å²	19	35.9 Å²	35.9	20%	0.196	18%	0.181	C	C	.	.	S	Bend	trans	-76.6	-9.7	-176.2	0	0	0	0	0	115.4	K124 E220 E222	G122-K124 WeakPolarHBondContact O-CG 3.4Å; G122-K124 PolarHBondContact O-N 3.13Å; G122-E220 PolarHBondContact N-OE2 2.86Å; G122-E222 WeakPolarHBondContact CA-OE1 3.43Å
123	K	88	Confident	92.6	Very high	127 Å²	127	36 Å²	36	55%	0.552	18%	0.181	S	C	*	.	S	Bend	trans	58.7	14.4	176.6	-52.1	-59.2	173.6	-159.8	0	115.9	P117 E118 T120 A121	P117-K123 VanDerWaalsContact O-CA 3.22Å; P117-K123 WeakPolarHBondContact O-CA 3.42Å; E118-K123 WeakPolarHBondContact O-CD 3.23Å; E118-K123 PolarHBondContact O-NZ 3.46Å; T120-K123 VanDerWaalsContact O-CD 3.23Å; T120-K123 WeakPolarHBondContact O-CD 3.48Å; T120-K123 WeakPolarHBondContact O-CE 3.19Å; T120-K123 PolarHBondContact O-NZ 2.89Å; T120-K123 PolarHBondContact OG1-N 3.42Å; A121-K123 VanDerWaalsContact C-N 3.3Å; A121-K123 PolarHBondContact O-N 2.91Å
124	K	93.1	Very high	92.7	Very high	172 Å²	172	35.6 Å²	35.6	75%	0.748	18%	0.179	S	C	*	.	S	Bend	trans	-125.7	-34.5	-169.5	-74	174.2	-174.4	176.2	0	114.7	G122	G122-K124 WeakPolarHBondContact O-CG 3.4Å; G122-K124 PolarHBondContact O-N 3.13Å
125	Q	96.6	Very high	92.8	Very high	59 Å²	59	34.4 Å²	34.4	28%	0.276	17%	0.174	S	C	.	.	S	Bend	trans	-122.1	146.5	-174.7	-65.4	-60.8	-20.1	0	0	109.7	P117 T120 L163 A205	P117-Q125 WeakPolarHBondContact CA-O 3.42Å; T120-Q125 WeakPolarHBondContact CG2-O 3.19Å; T120-Q125 PolarHBondContact OG1-O 3.39Å; T120-Q125 VanDerWaalsContact OG1-O 3.06Å; Q125-L163 HydrophobicContact CB-CD2 3.83Å; Q125-L163 HydrophobicContact CG-CD2 4.07Å; Q125-A205 HydrophobicContact CB-CB 4Å; Q125-A205 HydrophobicContact CG-CB 4.08Å
126	P	96.9	Very high	93.1	Very high	25 Å²	25	34.6 Å²	34.6	16%	0.162	18%	0.176	C	C	.	.			trans	-72.3	168.5	173.3	35.2	-37.3	0	0	0	110.6	F26 L115 L163	F26-P126 HydrophobicContact CB-CG 4.26Å; F26-P126 HydrophobicContact CD1-CB 3.53Å; F26-P126 HydrophobicContact CD1-CG 3.67Å; F26-P126 HydrophobicContact CD2-CG 4.2Å; F26-P126 HydrophobicContact CE1-CB 3.78Å; F26-P126 HydrophobicContact CE1-CG 3.99Å; F26-P126 HydrophobicContact CE2-CG 4.48Å; F26-P126 HydrophobicContact CG-CB 4.14Å; F26-P126 HydrophobicContact CG-CG 3.78Å; F26-P126 HydrophobicContact CZ-CG 4.37Å; L115-P126 VanDerWaalsContact O-CA 3.32Å; L115-P126 WeakPolarHBondContact O-CA 3.2Å; L115-P126 WeakPolarHBondContact O-CB 3.34Å; P126-L163 HydrophobicContact CG-CD1 4.35Å
127	Y	97.6	Very high	93.4	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	141.8	-179.1	-161.9	-74.3	0	0	0	110.6	L115 F129 V202 V203 L206 E220 L258 P259	L115-Y127 WeakPolarHBondContact CB-O 3.22Å; L115-Y127 HydrophobicContact CD1-CD1 4.36Å; L115-Y127 PolarHBondContact N-O 2.76Å; L115-Y127 PolarHBondContact O-N 3.23Å; Y127-F129 HydrophobicContact CD1-CD1 4.18Å; Y127-F129 HydrophobicContact CE1-CB 4.11Å; Y127-F129 HydrophobicContact CE1-CD1 4.12Å; Y127-V202 HydrophobicContact CD1-CG1 4.26Å; Y127-V202 HydrophobicContact CE1-CG1 3.34Å; Y127-V202 HydrophobicContact CE2-CG1 4.34Å; Y127-V202 VanDerWaalsContact OH-CG1 3.25Å; Y127-V202 WeakPolarHBondContact OH-CG1 3.17Å; Y127-V203 CarbonylContact C-O 3.59Å; Y127-V203 WeakPolarHBondContact CA-O 3.48Å; Y127-L206 HydrophobicContact CE2-CD2 3.58Å; Y127-L206 WeakPolarHBondContact OH-CD2 3.28Å; Y127-E220 HydrophobicContact CE2-CG 4.25Å; Y127-L258 HydrophobicContact CE1-CD2 3.97Å; Y127-L258 WeakPolarHBondContact OH-CD2 3.47Å; Y127-P259 HydrophobicContact CD1-CG 3.85Å; Y127-P259 HydrophobicContact CD2-CG 3.99Å; Y127-P259 HydrophobicContact CE1-CG 3.77Å; Y127-P259 HydrophobicContact CE2-CG 3.94Å; Y127-P259 HydrophobicContact CG-CG 3.96Å
128	L	97.8	Very high	93.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.8	174.5	168.8	65.7	0	0	0	108.1	V24 F26 I31 L112 Q113 W114 V202 V203	V24-L128 HydrophobicContact CG1-CD2 3.59Å; V24-L128 HydrophobicContact CG2-CD2 4.25Å; F26-L128 HydrophobicContact CE1-CB 3.85Å; F26-L128 HydrophobicContact CZ-CB 3.82Å; I31-L128 HydrophobicContact CD1-CD2 4.13Å; I31-L128 HydrophobicContact CG1-CD2 4.41Å; L112-L128 HydrophobicContact CB-CD1 4Å; L112-L128 HydrophobicContact CD2-CD1 4.15Å; L112-L128 HydrophobicContact CG-CD1 4.47Å; Q113-L128 WeakPolarHBondContact O-CA 3.42Å; Q113-L128 WeakPolarHBondContact O-CD1 3.42Å; W114-L128 HydrophobicContact CD2-CD1 3.76Å; W114-L128 HydrophobicContact CE3-CB 4.18Å; W114-L128 HydrophobicContact CE3-CD1 4.02Å; W114-L128 HydrophobicContact CE3-CD2 4.45Å; W114-L128 HydrophobicContact CE3-CG 4.45Å; W114-L128 HydrophobicContact CG-CD1 4.26Å; W114-L128 HydrophobicContact CH2-CD1 4.33Å; W114-L128 HydrophobicContact CH2-CD2 3.79Å; W114-L128 HydrophobicContact CZ2-CD1 4.05Å; W114-L128 HydrophobicContact CZ2-CD2 4.15Å; W114-L128 HydrophobicContact CZ3-CB 4.29Å; W114-L128 HydrophobicContact CZ3-CD1 4.3Å; W114-L128 HydrophobicContact CZ3-CD2 3.94Å; W114-L128 HydrophobicContact CZ3-CG 4.41Å; L128-V202 CarbonylContact O-C 3.5Å; L128-V202 VanDerWaalsContact O-CA 3.24Å; L128-V202 WeakPolarHBondContact O-CA 3.42Å; L128-V202 VanDerWaalsContact O-CG1 3.31Å; L128-V202 WeakPolarHBondContact O-CG1 3.04Å; L128-V203 HydrophobicContact CB-CB 4.3Å; L128-V203 HydrophobicContact CD2-CG2 4.47Å; L128-V203 PolarHBondContact N-O 3.3Å; L128-V203 PolarHBondContact O-N 2.84Å
129	F	97.4	Very high	94.5	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.8	161.9	67.5	-92.5	0	0	0	111.5	Q113 L115 Y127 I201 V202 L258 F262	Q113-F129 HydrophobicContact CB-CD1 4.25Å; Q113-F129 HydrophobicContact CB-CE1 3.81Å; Q113-F129 HydrophobicContact CB-CE2 4.09Å; Q113-F129 HydrophobicContact CB-CZ 3.76Å; Q113-F129 HydrophobicContact CG-CE1 4.19Å; Q113-F129 HydrophobicContact CG-CZ 4.3Å; Q113-F129 PolarHBondContact N-O 3.23Å; Q113-F129 PolarHBondContact O-N 2.84Å; Q113-F129 VanDerWaalsContact O-N 3.15Å; L115-F129 HydrophobicContact CD1-CE1 4.26Å; Y127-F129 HydrophobicContact CD1-CD1 4.18Å; Y127-F129 HydrophobicContact CE1-CB 4.11Å; Y127-F129 HydrophobicContact CE1-CD1 4.12Å; F129-I201 CarbonylContact C-O 3.59Å; F129-I201 WeakPolarHBondContact CA-O 3.39Å; F129-V202 HydrophobicContact CB-CG1 4.39Å; F129-V202 HydrophobicContact CB-CG2 3.78Å; F129-L258 HydrophobicContact CB-CD2 3.82Å; F129-L258 HydrophobicContact CD1-CD2 4.28Å; F129-L258 HydrophobicContact CD2-CD1 4.15Å; F129-L258 HydrophobicContact CE2-CD1 4.41Å; F129-L258 HydrophobicContact CG-CD1 4.33Å; F129-L258 HydrophobicContact CG-CD2 4.01Å; F129-F262 HydrophobicContact CD2-CD2 4.45Å; F129-F262 AromaticContact CE2-CD2 3.77Å; F129-F262 HydrophobicContact CE2-CD2 3.77Å; F129-F262 HydrophobicContact CE2-CE2 4.35Å; F129-F262 HydrophobicContact CZ-CD2 4.09Å
130	S	97.1	Very high	95.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	154.7	174.2	65.8	0	0	0	0	113.7	A111 A200 I201 F274	A111-S130 CarbonylContact O-C 3.49Å; A111-S130 WeakPolarHBondContact O-CA 3.41Å; S130-A200 VanDerWaalsContact OG-CA 3.27Å; S130-A200 WeakPolarHBondContact OG-CA 3.35Å; S130-I201 PolarHBondContact N-O 3.3Å; S130-I201 PolarHBondContact OG-N 3.02Å; S130-I201 PolarHBondContact OG-O 3.48Å; S130-F274 WeakPolarHBondContact O-CE2 3.48Å
131	Q	94.4	Very high	95.7	Very high	11 Å²	11	22 Å²	22	5%	0.051	11%	0.11	C	C	.	.			trans	-137.5	109.5	161.7	176.2	67.4	24.9	0	0	108.8	A111 Y264 M267	A111-Q131 WeakPolarHBondContact CA-O 3.48Å; A111-Q131 PolarHBondContact O-N 3.36Å; Q131-Y264 HydrophobicContact CG-CD2 4.3Å; Q131-Y264 HydrophobicContact CG-CE2 3.73Å; Q131-M267 PolarHBondContact NE2-SD 2.76Å
132	C	97.2	Very high	96.2	Very high	1 Å²	1	21 Å²	21	1%	0.007	10%	0.101	C	C	.	.			trans	-96.5	-27.9	-172.8	-74.4	0	0	0	0	114.1	A134 H135 H136 C137 Y197 I199	C132-A134 CarbonylContact O-C 3.56Å; C132-A134 VanDerWaalsContact O-C 3.32Å; C132-H135 PolarHBondContact O-N 3.06Å; C132-H136 PolarHBondContact O-N 2.93Å; C132-C137 HydrophobicContact CB-CB 4.01Å; C132-Y197 VanDerWaalsContact CB-O 3.23Å; C132-Y197 WeakPolarHBondContact CB-O 3.48Å; C132-I199 PolarHBondContact SG-O 2.86Å
133	Q	96.4	Very high	96.6	Very high	16 Å²	16	20.1 Å²	20.1	8%	0.075	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	131.1	175.8	-163.3	-169.4	65	0	0	110.3	Y197 M267 E268 W308 F375	Q133-Y197 HydrophobicContact CB-CD2 3.88Å; Q133-Y197 HydrophobicContact CG-CD2 3.82Å; Q133-Y197 HydrophobicContact CG-CE2 4.3Å; Q133-Y197 HydrophobicContact CG-CG 4.48Å; Q133-M267 HydrophobicContact CB-CE 3.88Å; Q133-M267 HydrophobicContact CB-SD 3.9Å; Q133-M267 HydrophobicContact CG-CE 4.49Å; Q133-E268 PolarHBondContact NE2-OE1 3.42Å; Q133-E268 VanDerWaalsContact NE2-OE1 3.13Å; Q133-W308 HydrophobicContact CG-CH2 3.75Å; Q133-W308 HydrophobicContact CG-CZ3 4.05Å; Q133-F375 HydrophobicContact CG-CE2 4.37Å; Q133-F375 HydrophobicContact CG-CZ 4.39Å
134	A	95	Very high	97.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.7	-39.5	3.4	0	0	0	0	0	114.3	C132 W308 P371 F375	C132-A134 CarbonylContact O-C 3.56Å; C132-A134 VanDerWaalsContact O-C 3.32Å; A134-W308 HydrophobicContact CB-CD2 3.75Å; A134-W308 HydrophobicContact CB-CE3 4.14Å; A134-W308 HydrophobicContact CB-CG 4.24Å; A134-W308 HydrophobicContact CB-CH2 4.26Å; A134-W308 HydrophobicContact CB-CZ2 3.88Å; A134-W308 HydrophobicContact CB-CZ3 4.36Å; A134-W308 VanDerWaalsContact O-CE2 3.24Å; A134-W308 WeakPolarHBondContact O-CZ2 3.25Å; A134-W308 PolarHBondContact O-NE1 2.9Å; A134-P371 HydrophobicContact CB-CB 3.73Å; A134-P371 HydrophobicContact CB-CG 4.42Å; A134-F375 HydrophobicContact CB-CE1 4.29Å; A134-F375 HydrophobicContact CB-CE2 3.84Å; A134-F375 HydrophobicContact CB-CZ 3.38Å
135	H	95.9	Very high	97.4	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.7	34	-162.2	64.9	-65.2	0	0	0	110.9	F78 C132 R138 D145 N370 D372	F78-H135 AromaticContact CD2-NE2 3.98Å; C132-H135 PolarHBondContact O-N 3.06Å; H135-R138 VanDerWaalsContact O-CD 3.31Å; H135-R138 WeakPolarHBondContact O-CD 3.41Å; H135-R138 WeakPolarHBondContact O-CG 3.42Å; H135-R138 PolarHBondContact O-NE 2.93Å; H135-D145 WeakPolarHBondContact CA-OD2 3.3Å; H135-D145 VanDerWaalsContact O-OD2 3.13Å; H135-N370 PolarHBondContact CE1-OD1 2.9Å; H135-N370 PolarHBondContact NE2-OD1 3.45Å; H135-D372 IonicContact CE1-OD1 3.59Å; H135-D372 IonicContact CE1-OD2 2.69Å
136	H	96.9	Very high	97.5	Very high	6 Å²	6	3.4 Å²	3.4	3%	0.028	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-13.1	-177.3	-57.3	-38.4	0	0	0	112.5	A111 C132 R138 S139 D372	A111-H136 HydrophobicContact CB-CB 3.88Å; A111-H136 VanDerWaalsContact CB-O 3.28Å; A111-H136 WeakPolarHBondContact CB-O 3.22Å; C132-H136 PolarHBondContact O-N 2.93Å; H136-R138 PolarHBondContact O-N 2.78Å; H136-R138 VanDerWaalsContact O-N 3.1Å; H136-S139 WeakPolarHBondContact O-CB 3.26Å; H136-S139 PolarHBondContact O-N 3.01Å; H136-S139 PolarHBondContact O-OG 2.88Å; H136-D372 IonicContact CE1-OD1 3.69Å; H136-D372 IonicContact CE1-OD2 3.39Å; H136-D372 PolarHBondContact CE1-OD2 2.92Å; H136-D372 VanDerWaalsContact CE1-OD2 3.24Å; H136-D372 IonicContact NE2-OD1 2.7Å; H136-D372 PolarHBondContact NE2-OD1 2.97Å; H136-D372 IonicContact NE2-OD2 3.54Å
137	C	98.6	Very high	97.6	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.011	C	C	.	.	G	3₁₀ helix	trans	-53.7	-35.8	177.3	-170.7	0	0	0	0	111.2	C132 S139 M140 I141 D145	C132-C137 HydrophobicContact CB-CB 4.01Å; C137-S139 PolarHBondContact O-N 2.87Å; C137-S139 VanDerWaalsContact O-N 3.08Å; C137-M140 CarbonylContact O-C 3.54Å; C137-M140 WeakPolarHBondContact O-CA 3.42Å; C137-M140 PolarHBondContact O-N 3.15Å; C137-I141 PolarHBondContact O-N 3.04Å; C137-I141 VanDerWaalsContact O-O 3.1Å; C137-D145 WeakPolarHBondContact CB-OD1 3.27Å; C137-D145 PolarHBondContact N-OD2 2.86Å
138	R	98.5	Very high	97.6	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	G	3₁₀ helix	trans	-56.6	-19.5	172.6	69	-171.7	68.5	-176.9	1.2	116.2	C5 D52 S53 R54 L56 K79 H135 H136 I141 D145	C5-R138 VanDerWaalsContact O-CZ 3.3Å; C5-R138 PolarHBondContact O-NH1 2.89Å; C5-R138 PolarHBondContact O-NH2 2.9Å; D52-R138 HydrophobicContact CB-CB 3.72Å; D52-R138 IonicContact OD1-CZ 3.21Å; D52-R138 IonicContact OD1-NH1 3.78Å; D52-R138 PolarHBondContact OD1-NH1 2.85Å; D52-R138 IonicContact OD1-NH2 2.84Å; S53-R138 CarbonylContact C-O 3.59Å; S53-R138 WeakPolarHBondContact CA-O 3.16Å; R54-R138 HydrophobicContact CB-CG 3.93Å; R54-R138 PolarHBondContact N-O 3.32Å; L56-R138 WeakPolarHBondContact CD1-O 3.46Å; K79-R138 WeakPolarHBondContact O-CD 3.42Å; K79-R138 PolarHBondContact O-NH1 2.94Å; H135-R138 VanDerWaalsContact O-CD 3.31Å; H135-R138 WeakPolarHBondContact O-CD 3.41Å; H135-R138 WeakPolarHBondContact O-CG 3.42Å; H135-R138 PolarHBondContact O-NE 2.93Å; H136-R138 PolarHBondContact O-N 2.78Å; H136-R138 VanDerWaalsContact O-N 3.1Å; R138-I141 WeakPolarHBondContact CA-O 3.48Å; R138-D145 HydrophobicContact CB-CB 3.99Å; R138-D145 WeakPolarHBondContact CB-OD2 3.45Å; R138-D145 WeakPolarHBondContact CG-OD2 3.47Å; R138-D145 IonicContact CZ-OD2 3.69Å; R138-D145 PolarHBondContact N-OD2 2.91Å; R138-D145 IonicContact NE-OD2 3.23Å; R138-D145 PolarHBondContact NE-OD2 3.48Å; R138-D145 PolarHBondContact NH2-O 2.91Å; R138-D145 IonicContact NH2-OD2 3Å
139	S	98.1	Very high	97.6	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.007	2%	0.017	C	C	.	.	G	3₁₀ helix	trans	-90.3	-8.6	174.4	71.1	0	0	0	0	113.7	R54 L56 A109 F110 A111 H136 C137	R54-S139 WeakPolarHBondContact O-CA 3.38Å; L56-S139 WeakPolarHBondContact CD2-O 3.4Å; A109-S139 WeakPolarHBondContact CB-O 3.49Å; F110-S139 PolarHBondContact N-OG 2.79Å; A111-S139 VanDerWaalsContact CB-OG 3.25Å; A111-S139 WeakPolarHBondContact CB-OG 3.26Å; A111-S139 PolarHBondContact N-OG 2.88Å; H136-S139 WeakPolarHBondContact O-CB 3.26Å; H136-S139 PolarHBondContact O-N 3.01Å; H136-S139 PolarHBondContact O-OG 2.88Å; C137-S139 PolarHBondContact O-N 2.87Å; C137-S139 VanDerWaalsContact O-N 3.08Å
140	M	98.4	Very high	97.6	Very high	1 Å²	1	4.4 Å²	4.4	1%	0.005	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-36.8	174.9	-175.6	178.3	63	0	0	111.9	I31 Y103 A111 L112 C137 I199 I201	I31-M140 HydrophobicContact CD1-CG 4.35Å; Y103-M140 WeakPolarHBondContact CE2-O 3.45Å; Y103-M140 PolarHBondContact OH-O 3.15Å; A111-M140 HydrophobicContact CB-CB 4.06Å; L112-M140 HydrophobicContact CD2-CG 4.07Å; L112-M140 HydrophobicContact CD2-SD 3.69Å; C137-M140 CarbonylContact O-C 3.54Å; C137-M140 WeakPolarHBondContact O-CA 3.42Å; C137-M140 PolarHBondContact O-N 3.15Å; M140-I199 HydrophobicContact CE-CB 4.42Å; M140-I199 HydrophobicContact CE-CG2 3.76Å; M140-I201 HydrophobicContact SD-CG2 3.6Å
141	I	98.6	Very high	97.7	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.024	C	C	.	.	S	Bend	trans	-142.4	129	-175.4	-53.7	172.3	0	0	0	108.2	L20 V35 C137 R138 C143 I199	L20-I141 HydrophobicContact CD1-CD1 3.83Å; L20-I141 HydrophobicContact CD2-CD1 3.83Å; L20-I141 HydrophobicContact CD2-CG1 4.39Å; L20-I141 HydrophobicContact CD2-CG2 4.03Å; V35-I141 HydrophobicContact CB-CG2 4.11Å; V35-I141 HydrophobicContact CG1-CG2 4.2Å; V35-I141 HydrophobicContact CG2-CG2 3.99Å; C137-I141 PolarHBondContact O-N 3.04Å; C137-I141 VanDerWaalsContact O-O 3.1Å; R138-I141 WeakPolarHBondContact CA-O 3.48Å; I141-C143 PolarHBondContact O-N 2.72Å; I141-C143 PolarHBondContact O-SG 3.17Å; I141-I199 HydrophobicContact CD1-CD1 3.94Å; I141-I199 HydrophobicContact CD1-CG2 4.05Å
142	P	98.4	Very high	97.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.031	C	C	.	.			trans	-67.7	117.3	170.4	27.2	-27.4	0	0	0	108.8	V35 L51 D52 L56 L83 V101 Y103	V35-P142 HydrophobicContact CG1-CG 3.78Å; L51-P142 HydrophobicContact CD1-CB 4.39Å; D52-P142 WeakPolarHBondContact O-CA 3.25Å; L56-P142 HydrophobicContact CD1-CB 3.91Å; L56-P142 HydrophobicContact CD1-CG 4.11Å; L83-P142 HydrophobicContact CD2-CB 4.04Å; V101-P142 HydrophobicContact CB-CG 4.01Å; V101-P142 HydrophobicContact CG1-CG 3.76Å; V101-P142 HydrophobicContact CG2-CG 4.46Å; Y103-P142 HydrophobicContact CD1-CG 3.84Å; Y103-P142 VanDerWaalsContact CE1-CD 3.43Å; Y103-P142 HydrophobicContact CE1-CG 4.05Å; Y103-P142 HydrophobicContact CG-CG 4.26Å
143	C	98.6	Very high	98	Very high	2 Å²	2	5.7 Å²	5.7	1%	0.014	3%	0.031	C	C	.	.	B	Isolated β-bridge	trans	-153.8	168.3	-171.3	58.6	0	0	0	0	111.7	D52 I141 D145	D52-C143 WeakPolarHBondContact CA-O 3.31Å; D52-C143 WeakPolarHBondContact CB-O 3.24Å; D52-C143 PolarHBondContact N-O 3Å; D52-C143 PolarHBondContact O-N 2.75Å; I141-C143 PolarHBondContact O-N 2.72Å; I141-C143 PolarHBondContact O-SG 3.17Å; C143-D145 VanDerWaalsContact C-N 3.34Å; C143-D145 PolarHBondContact O-N 2.88Å; C143-D145 VanDerWaalsContact O-N 3.09Å
144	Q	98.6	Very high	98.1	Very high	4 Å²	4	7.5 Å²	7.5	2%	0.019	4%	0.038	C	C	.	.			trans	-77.9	89.4	166.3	-57.8	177.6	-84.7	0	0	108.4	S8 S9 C13 T15 L51 T146 I149	S8-Q144 WeakPolarHBondContact OG-CA 3.4Å; S9-Q144 PolarHBondContact O-NE2 3.12Å; C13-Q144 PolarHBondContact O-NE2 2.89Å; C13-Q144 PolarHBondContact SG-NE2 3.32Å; C13-Q144 VanDerWaalsContact SG-NE2 3.4Å; T15-Q144 PolarHBondContact OG1-OE1 2.78Å; L51-Q144 HydrophobicContact CD2-CG 3.73Å; Q144-T146 VanDerWaalsContact C-N 3.28Å; Q144-T146 PolarHBondContact O-N 2.78Å; Q144-I149 HydrophobicContact CB-CD1 3.47Å; Q144-I149 VanDerWaalsContact CB-CD1 3.47Å; Q144-I149 HydrophobicContact CG-CD1 4.03Å; Q144-I149 VanDerWaalsContact NE2-CD1 3.28Å
145	D	98.6	Very high	98.3	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.038	C	C	.	.			trans	-87.4	66.6	-165.1	-165.3	20.7	0	0	0	112	D52 H135 C137 R138 C143 S196	D52-D145 HydrophobicContact CB-CB 3.74Å; D52-D145 PolarHBondContact OD2-N 3.04Å; H135-D145 WeakPolarHBondContact CA-OD2 3.3Å; H135-D145 VanDerWaalsContact O-OD2 3.13Å; C137-D145 WeakPolarHBondContact CB-OD1 3.27Å; C137-D145 PolarHBondContact N-OD2 2.86Å; R138-D145 HydrophobicContact CB-CB 3.99Å; R138-D145 WeakPolarHBondContact CB-OD2 3.45Å; R138-D145 WeakPolarHBondContact CG-OD2 3.47Å; R138-D145 IonicContact CZ-OD2 3.69Å; R138-D145 PolarHBondContact N-OD2 2.91Å; R138-D145 IonicContact NE-OD2 3.23Å; R138-D145 PolarHBondContact NE-OD2 3.48Å; R138-D145 PolarHBondContact NH2-O 2.91Å; R138-D145 IonicContact NH2-OD2 3Å; C143-D145 VanDerWaalsContact C-N 3.34Å; C143-D145 PolarHBondContact O-N 2.88Å; C143-D145 VanDerWaalsContact O-N 3.09Å; D145-S196 PolarHBondContact OD1-OG 3.2Å
146	T	98.4	Very high	98.5	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.006	5%	0.05	C	C	.	.	S	Bend	trans	-138.7	138.9	-180	173.6	0	0	0	0	109.9	D3 F10 Q144 S148 I149	D3-T146 VanDerWaalsContact OD2-CB 3.25Å; D3-T146 WeakPolarHBondContact OD2-CB 3.37Å; D3-T146 PolarHBondContact OD2-OG1 3.39Å; F10-T146 HydrophobicContact CD1-CG2 4.37Å; Q144-T146 VanDerWaalsContact C-N 3.28Å; Q144-T146 PolarHBondContact O-N 2.78Å; T146-S148 PolarHBondContact O-N 3Å; T146-S148 VanDerWaalsContact O-N 3.12Å; T146-S148 PolarHBondContact OG1-N 2.85Å; T146-I149 HydrophobicContact CG2-CB 4.34Å; T146-I149 HydrophobicContact CG2-CD1 3.8Å; T146-I149 HydrophobicContact CG2-CG1 3.95Å; T146-I149 PolarHBondContact O-N 2.87Å
147	P	98.1	Very high	98.6	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.006	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-8.2	177.5	30.7	-35.9	0	0	0	113.2	I149 P195 Y197 T304 N305 W308 S415	P147-I149 PolarHBondContact O-N 3.43Å; P147-P195 HydrophobicContact CB-CB 4.29Å; P147-Y197 HydrophobicContact CB-CD1 4.07Å; P147-Y197 HydrophobicContact CB-CE1 3.95Å; P147-T304 HydrophobicContact CB-CG2 3.8Å; P147-N305 WeakPolarHBondContact CB-O 3.41Å; P147-N305 WeakPolarHBondContact CG-O 3.46Å; P147-W308 HydrophobicContact CB-CZ2 4.35Å; P147-W308 HydrophobicContact CG-CD2 4.47Å; P147-W308 HydrophobicContact CG-CZ2 4.08Å; P147-S415 WeakPolarHBondContact O-CB 3.37Å; P147-S415 PolarHBondContact O-OG 3.42Å
148	S	97.9	Very high	98.6	Very high	17 Å²	17	10.1 Å²	10.1	12%	0.119	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.2	171.1	-79.2	0	0	0	0	114	F10 T146 R306	F10-S148 VanDerWaalsContact CD1-CB 3.46Å; F10-S148 WeakPolarHBondContact CE1-OG 3.45Å; T146-S148 PolarHBondContact O-N 3Å; T146-S148 VanDerWaalsContact O-N 3.12Å; T146-S148 PolarHBondContact OG1-N 2.85Å; S148-R306 PolarHBondContact N-O 3.05Å; S148-R306 WeakPolarHBondContact OG-CG 3.15Å; S148-R306 PolarHBondContact OG-O 3.13Å
149	I	98.1	Very high	98.6	Very high	4 Å²	4	10.1 Å²	10.1	2%	0.021	5%	0.051	C	C	.	.			trans	-111.6	129.6	-175.9	-64.5	172.8	0	0	0	108.6	F10 L14 Q144 T146 P147 P195	F10-I149 HydrophobicContact CB-CD1 3.78Å; F10-I149 HydrophobicContact CB-CG1 3.7Å; L14-I149 HydrophobicContact CD2-CD1 4.39Å; L14-I149 HydrophobicContact CD2-CG1 3.93Å; Q144-I149 HydrophobicContact CB-CD1 3.47Å; Q144-I149 VanDerWaalsContact CB-CD1 3.47Å; Q144-I149 HydrophobicContact CG-CD1 4.03Å; Q144-I149 VanDerWaalsContact NE2-CD1 3.28Å; T146-I149 HydrophobicContact CG2-CB 4.34Å; T146-I149 HydrophobicContact CG2-CD1 3.8Å; T146-I149 HydrophobicContact CG2-CG1 3.95Å; T146-I149 PolarHBondContact O-N 2.87Å; P147-I149 PolarHBondContact O-N 3.43Å; I149-P195 WeakPolarHBondContact O-CA 3.49Å
150	K	98.6	Very high	98.6	Very high	26 Å²	26	11.1 Å²	11.1	11%	0.113	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.3	175	-60.6	-165.7	179	-162.8	0	110.2	A193 M194 N301 L302 T304 S414 S415	K150-A193 HydrophobicContact CB-CB 3.94Å; K150-M194 CarbonylContact C-O 3.59Å; K150-M194 WeakPolarHBondContact CA-O 3.47Å; K150-N301 PolarHBondContact NZ-O 2.76Å; K150-L302 PolarHBondContact NZ-O 3.31Å; K150-T304 WeakPolarHBondContact CE-OG1 3.48Å; K150-T304 PolarHBondContact NZ-OG1 3.23Å; K150-S414 WeakPolarHBondContact CE-O 3.39Å; K150-S414 PolarHBondContact NZ-O 3.17Å; K150-S415 WeakPolarHBondContact CE-OG 3.49Å
151	H	98.7	Very high	98.6	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.019	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.4	178.9	55.1	60	0	0	0	110.8	T15 K16 L18 A193 M194	T15-H151 HydrophobicContact CG2-CB 4.08Å; K16-H151 WeakPolarHBondContact O-CA 3.09Å; L18-H151 VanDerWaalsContact CD1-CE1 3.46Å; L18-H151 WeakPolarHBondContact CD1-CE1 3.14Å; H151-A193 WeakPolarHBondContact O-CA 3.19Å; H151-M194 PolarHBondContact N-O 2.96Å; H151-M194 PolarHBondContact O-N 2.7Å
152	T	98.9	Very high	98.5	Very high	35 Å²	35	22 Å²	22	22%	0.215	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	164.9	164	52.8	0	0	0	0	109.5	K16 H17 L18 Q190 P191 A193	K16-T152 PolarHBondContact O-N 2.88Å; K16-T152 PolarHBondContact O-OG1 3.33Å; H17-T152 CarbonylContact C-O 3.57Å; H17-T152 WeakPolarHBondContact CA-O 3.49Å; H17-T152 PolarHBondContact ND1-O 2.86Å; H17-T152 PolarHBondContact ND1-OG1 3.33Å; L18-T152 PolarHBondContact N-O 3.28Å; T152-Q190 WeakPolarHBondContact CB-O 3.47Å; T152-P191 VanDerWaalsContact CG2-O 3.23Å; T152-P191 WeakPolarHBondContact CG2-O 3.33Å; T152-A193 HydrophobicContact CG2-CB 4.3Å
153	Y	98.9	Very high	98.5	Very high	1 Å²	1	22 Å²	22	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	154.1	170.5	76.6	-97.5	0	0	0	114.2	L18 L20 A155 M167 S168 A169 Q190 M194 I199	L18-Y153 CarbonylContact O-C 3.51Å; L18-Y153 WeakPolarHBondContact O-CA 3.5Å; L18-Y153 WeakPolarHBondContact O-CB 3.37Å; L20-Y153 HydrophobicContact CD1-CD2 4.37Å; Y153-A155 HydrophobicContact CD2-CB 4.08Å; Y153-A155 HydrophobicContact CE2-CB 4.08Å; Y153-M167 HydrophobicContact CE2-CE 4.11Å; Y153-S168 PolarHBondContact OH-N 2.93Å; Y153-S168 PolarHBondContact OH-O 2.96Å; Y153-S168 PolarHBondContact OH-OG 2.92Å; Y153-S168 VanDerWaalsContact OH-OG 3.06Å; Y153-A169 HydrophobicContact CE1-CB 4.44Å; Y153-A169 HydrophobicContact CE2-CB 3.8Å; Y153-A169 WeakPolarHBondContact OH-CB 3.4Å; Y153-A169 PolarHBondContact OH-N 2.95Å; Y153-Q190 HydrophobicContact CD1-CB 3.39Å; Y153-Q190 HydrophobicContact CD1-CG 3.88Å; Y153-Q190 HydrophobicContact CD2-CB 4.31Å; Y153-Q190 HydrophobicContact CE1-CB 3.36Å; Y153-Q190 HydrophobicContact CE1-CG 3.8Å; Y153-Q190 HydrophobicContact CE2-CB 4.28Å; Y153-Q190 HydrophobicContact CG-CB 3.9Å; Y153-Q190 PolarHBondContact N-O 3.45Å; Y153-Q190 VanDerWaalsContact N-O 3.14Å; Y153-Q190 PolarHBondContact O-N 3.17Å; Y153-M194 HydrophobicContact CD1-SD 4.48Å; Y153-M194 HydrophobicContact CE1-CE 4.03Å; Y153-M194 HydrophobicContact CE1-SD 4.06Å; Y153-I199 HydrophobicContact CE1-CG1 4.49Å
154	Y	98.9	Very high	98.5	Very high	54 Å²	54	23.5 Å²	23.5	21%	0.212	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.5	163.9	178.1	-100.9	0	0	0	108.5	L18 N19 L20 Q156 R187 F188 R189	L18-Y154 PolarHBondContact O-N 3.01Å; N19-Y154 WeakPolarHBondContact CA-O 3.19Å; L20-Y154 PolarHBondContact N-O 3.42Å; Y154-Q156 HydrophobicContact CE1-CG 3.65Å; Y154-R187 HydrophobicContact CE2-CB 4.47Å; Y154-R187 WeakPolarHBondContact OH-CD 3.42Å; Y154-R187 WeakPolarHBondContact OH-CG 3.46Å; Y154-F188 WeakPolarHBondContact CA-O 3.24Å; Y154-F188 WeakPolarHBondContact CD2-O 3.46Å; Y154-R189 HydrophobicContact CD2-CB 4.4Å
155	A	98.9	Very high	98.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.6	-177.3	0	0	0	0	0	112	L20 Y153 M167 R187 F188	L20-A155 HydrophobicContact CB-CB 4.02Å; L20-A155 HydrophobicContact CD1-CB 4.38Å; L20-A155 CarbonylContact O-C 3.51Å; L20-A155 WeakPolarHBondContact O-CA 3.49Å; Y153-A155 HydrophobicContact CD2-CB 4.08Å; Y153-A155 HydrophobicContact CE2-CB 4.08Å; A155-M167 HydrophobicContact CB-CE 4.15Å; A155-M167 HydrophobicContact CB-SD 3.55Å; A155-M167 VanDerWaalsContact CB-SD 3.55Å; A155-R187 CarbonylContact O-C 3.46Å; A155-R187 WeakPolarHBondContact O-CA 3.48Å; A155-F188 HydrophobicContact CB-CB 4.39Å; A155-F188 HydrophobicContact CB-CD2 4.37Å; A155-F188 PolarHBondContact N-O 3.4Å; A155-F188 PolarHBondContact O-N 2.91Å
156	Q	98.9	Very high	98.6	Very high	54 Å²	54	23.4 Å²	23.4	25%	0.252	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.5	168.9	-62.8	179.2	72.6	0	0	107.5	L20 L22 Y154 V185 Y186 R187	L20-Q156 PolarHBondContact O-N 3.41Å; L22-Q156 PolarHBondContact N-O 2.98Å; Y154-Q156 HydrophobicContact CE1-CG 3.65Å; Q156-V185 HydrophobicContact CB-CG1 3.99Å; Q156-Y186 CarbonylContact C-O 3.56Å; Q156-Y186 WeakPolarHBondContact CA-O 3.32Å; Q156-R187 HydrophobicContact CG-CG 4.27Å
157	V	98.9	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	108.6	-175.6	-169.7	0	0	0	0	109.4	L22 V24 V159 A165 M167 V185 Y186 F188 I201	L22-V157 HydrophobicContact CB-CG1 4.41Å; L22-V157 HydrophobicContact CB-CG2 4.41Å; L22-V157 HydrophobicContact CD1-CG2 4.34Å; L22-V157 CarbonylContact O-C 3.35Å; L22-V157 WeakPolarHBondContact O-CA 3.13Å; V24-V157 HydrophobicContact CG2-CG1 3.97Å; V157-V159 HydrophobicContact CG1-CG1 3.77Å; V157-A165 HydrophobicContact CB-CB 4.24Å; V157-A165 HydrophobicContact CG1-CB 4.12Å; V157-M167 HydrophobicContact CG2-CG 4.44Å; V157-M167 HydrophobicContact CG2-SD 3.54Å; V157-M167 VanDerWaalsContact CG2-SD 3.54Å; V157-V185 WeakPolarHBondContact O-CA 3.43Å; V157-Y186 PolarHBondContact N-O 2.79Å; V157-Y186 PolarHBondContact O-N 2.97Å; V157-F188 HydrophobicContact CB-CE2 4.26Å; V157-F188 HydrophobicContact CG2-CD2 4.12Å; V157-F188 HydrophobicContact CG2-CE2 3.83Å; V157-I201 HydrophobicContact CG1-CD1 3.7Å; V157-I201 HydrophobicContact CG2-CD1 4.26Å
158	S	98.8	Very high	98.6	Very high	7 Å²	7	23.5 Å²	23.5	5%	0.049	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123	173.4	175.9	0	0	0	0	109.9	L22 H23 V24 D177 R183 I184	L22-S158 PolarHBondContact O-N 3.4Å; H23-S158 PolarHBondContact ND1-OG 2.94Å; V24-S158 PolarHBondContact N-O 2.88Å; V24-S158 VanDerWaalsContact N-O 3.09Å; S158-D177 VanDerWaalsContact CB-OD2 3.28Å; S158-D177 WeakPolarHBondContact CB-OD2 3.33Å; S158-D177 PolarHBondContact OG-OD2 2.64Å; S158-R183 VanDerWaalsContact C-NH2 3.32Å; S158-R183 PolarHBondContact O-NH2 3.17Å; S158-R183 PolarHBondContact OG-NE 3.2Å; S158-I184 WeakPolarHBondContact CA-O 3.2Å
159	V	98.8	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157.2	-178.8	-55.7	0	0	0	0	111.2	V24 V157 K161 A165 R183 I184 Y186 V203	V24-V159 HydrophobicContact CB-CG1 4.23Å; V24-V159 HydrophobicContact CG2-CG1 4.2Å; V157-V159 HydrophobicContact CG1-CG1 3.77Å; V159-K161 PolarHBondContact O-N 2.86Å; V159-A165 HydrophobicContact CG1-CB 4.05Å; V159-R183 VanDerWaalsContact CA-NH2 3.29Å; V159-R183 CarbonylContact O-C 3.58Å; V159-R183 WeakPolarHBondContact O-CA 3.28Å; V159-R183 VanDerWaalsContact O-CB 3.23Å; V159-R183 WeakPolarHBondContact O-CB 3.32Å; V159-I184 PolarHBondContact N-O 3.03Å; V159-I184 PolarHBondContact O-N 2.81Å; V159-Y186 HydrophobicContact CG2-CD2 3.7Å; V159-Y186 HydrophobicContact CG2-CE2 3.43Å; V159-Y186 VanDerWaalsContact CG2-CE2 3.43Å; V159-V203 HydrophobicContact CB-CG1 3.78Å; V159-V203 HydrophobicContact CG1-CB 4.26Å; V159-V203 HydrophobicContact CG1-CG1 3.55Å; V159-V203 HydrophobicContact CG1-CG2 3.64Å; V159-V203 HydrophobicContact CG2-CG1 4.4Å
160	P	98.6	Very high	98.7	Very high	21 Å²	21	25.1 Å²	25.1	14%	0.136	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	137.3	171.4	-25.4	34.2	0	0	0	112.1	F26 Q162 L163	F26-P160 HydrophobicContact CD2-CG 4.21Å; P160-Q162 PolarHBondContact O-N 3.02Å; P160-L163 HydrophobicContact CB-CD1 4.26Å; P160-L163 HydrophobicContact CB-CG 4.33Å; P160-L163 HydrophobicContact CG-CD1 4.12Å; P160-L163 PolarHBondContact O-N 3.05Å
161	K	97.9	Very high	98.6	Very high	131 Å²	131	29.2 Å²	29.2	57%	0.57	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.9	-168.4	68.1	-177.4	177.7	-176.1	0	116.2	V159 L163 G182 I184	V159-K161 PolarHBondContact O-N 2.86Å; K161-L163 VanDerWaalsContact C-N 3.3Å; K161-G182 WeakPolarHBondContact CB-O 3.29Å; K161-G182 WeakPolarHBondContact CG-O 3.01Å; K161-G182 PolarHBondContact N-O 3.34Å; K161-I184 HydrophobicContact CB-CD1 4.43Å; K161-I184 HydrophobicContact CB-CG1 3.88Å
162	Q	97.3	Very high	98.6	Very high	99 Å²	99	32.9 Å²	32.9	46%	0.463	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.7	175.7	71.2	-80.6	11.3	0	0	113.6	P160	P160-Q162 PolarHBondContact O-N 3.02Å
163	L	98.6	Very high	98.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.171	C	C	.	.	S	Bend	trans	-112.9	158	-178.5	-51.9	-178.3	0	0	0	111	F26 Q125 P126 P160 K161 Y186 V203	F26-L163 HydrophobicContact CD2-CD1 3.98Å; F26-L163 HydrophobicContact CE2-CD1 3.37Å; F26-L163 HydrophobicContact CZ-CD1 3.93Å; Q125-L163 HydrophobicContact CB-CD2 3.83Å; Q125-L163 HydrophobicContact CG-CD2 4.07Å; P126-L163 HydrophobicContact CG-CD1 4.35Å; P160-L163 HydrophobicContact CB-CD1 4.26Å; P160-L163 HydrophobicContact CB-CG 4.33Å; P160-L163 HydrophobicContact CG-CD1 4.12Å; P160-L163 PolarHBondContact O-N 3.05Å; K161-L163 VanDerWaalsContact C-N 3.3Å; L163-Y186 PolarHBondContact O-OH 2.9Å; L163-V203 HydrophobicContact CB-CG1 3.9Å; L163-V203 HydrophobicContact CD1-CG1 3.95Å
164	V	98.8	Very high	98.5	Very high	32 Å²	32	38.7 Å²	38.7	19%	0.194	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.8	176.8	177.2	0	0	0	0	108.6	V166 Y186 V203 G204 L206 W218	V164-V166 HydrophobicContact CG1-CG1 4.27Å; V164-Y186 WeakPolarHBondContact CA-OH 3.42Å; V164-Y186 HydrophobicContact CG1-CE1 4.13Å; V164-V203 WeakPolarHBondContact O-CA 3.24Å; V164-G204 PolarHBondContact N-O 3.48Å; V164-G204 PolarHBondContact O-N 2.93Å; V164-G204 VanDerWaalsContact O-N 3.11Å; V164-L206 HydrophobicContact CB-CB 4.09Å; V164-L206 HydrophobicContact CG1-CB 4.39Å; V164-W218 HydrophobicContact CG1-CZ3 4.21Å
165	A	98.9	Very high	98.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	140.7	167.7	0	0	0	0	0	110.2	V157 V159 Y186 F188 V202 V203	V157-A165 HydrophobicContact CB-CB 4.24Å; V157-A165 HydrophobicContact CG1-CB 4.12Å; V159-A165 HydrophobicContact CG1-CB 4.05Å; A165-Y186 HydrophobicContact CB-CD2 3.75Å; A165-Y186 HydrophobicContact CB-CE2 4.44Å; A165-Y186 HydrophobicContact CB-CG 3.87Å; A165-F188 HydrophobicContact CB-CE2 4.28Å; A165-F188 HydrophobicContact CB-CZ 4.04Å; A165-F188 WeakPolarHBondContact O-CZ 3.48Å; A165-V202 CarbonylContact C-O 3.6Å; A165-V202 VanDerWaalsContact CA-O 3.28Å; A165-V202 WeakPolarHBondContact CA-O 3.37Å; A165-V203 HydrophobicContact CB-CG2 4.16Å
166	V	98.8	Very high	98.4	Very high	4 Å²	4	44 Å²	44	2%	0.024	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	148.6	167	-66	0	0	0	0	109.2	V164 V202 L206 W218 L256 L272	V164-V166 HydrophobicContact CG1-CG1 4.27Å; V166-V202 HydrophobicContact CG2-CB 3.79Å; V166-V202 HydrophobicContact CG2-CG1 4.49Å; V166-V202 HydrophobicContact CG2-CG2 4.48Å; V166-V202 PolarHBondContact N-O 3.29Å; V166-V202 PolarHBondContact O-N 3.1Å; V166-L206 HydrophobicContact CG1-CD1 4.24Å; V166-L206 HydrophobicContact CG2-CD1 3.66Å; V166-W218 HydrophobicContact CG1-CD2 4.2Å; V166-W218 HydrophobicContact CG1-CE3 4.2Å; V166-W218 HydrophobicContact CG1-CZ3 4.37Å; V166-L256 HydrophobicContact CG2-CD2 4.22Å; V166-L272 HydrophobicContact CB-CD2 3.63Å; V166-L272 HydrophobicContact CG2-CD2 3.52Å
167	M	98.9	Very high	98.3	Very high	3 Å²	3	42 Å²	42	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	169.9	-178.6	-66.5	-166.8	74	0	0	110.8	Y153 A155 V157 A169 F188 I199 A200 I201 L272	Y153-M167 HydrophobicContact CE2-CE 4.11Å; A155-M167 HydrophobicContact CB-CE 4.15Å; A155-M167 HydrophobicContact CB-SD 3.55Å; A155-M167 VanDerWaalsContact CB-SD 3.55Å; V157-M167 HydrophobicContact CG2-CG 4.44Å; V157-M167 HydrophobicContact CG2-SD 3.54Å; V157-M167 VanDerWaalsContact CG2-SD 3.54Å; M167-A169 PolarHBondContact O-N 2.8Å; M167-F188 HydrophobicContact CB-CB 4.45Å; M167-F188 HydrophobicContact CB-CD1 3.97Å; M167-F188 HydrophobicContact CB-CD2 4.2Å; M167-F188 HydrophobicContact CB-CE1 4.26Å; M167-F188 HydrophobicContact CB-CE2 4.49Å; M167-F188 HydrophobicContact CB-CG 3.95Å; M167-F188 HydrophobicContact CG-CD1 4.35Å; M167-F188 HydrophobicContact CG-CD2 3.79Å; M167-F188 HydrophobicContact CG-CE1 4.37Å; M167-F188 HydrophobicContact CG-CE2 3.82Å; M167-F188 HydrophobicContact CG-CG 4.06Å; M167-F188 HydrophobicContact CG-CZ 4.13Å; M167-F188 HydrophobicContact SD-CD2 3.59Å; M167-F188 VanDerWaalsContact SD-CD2 3.59Å; M167-F188 HydrophobicContact SD-CE2 4.01Å; M167-F188 HydrophobicContact SD-CG 4.14Å; M167-I199 HydrophobicContact CE-CG2 4.28Å; M167-A200 WeakPolarHBondContact CA-O 3.26Å; M167-A200 VanDerWaalsContact CB-O 3.26Å; M167-A200 WeakPolarHBondContact CB-O 3.44Å; M167-A200 WeakPolarHBondContact CE-O 3.27Å; M167-A200 WeakPolarHBondContact CG-O 3.37Å; M167-I201 HydrophobicContact CE-CB 4.3Å; M167-I201 HydrophobicContact CG-CB 4.31Å; M167-I201 HydrophobicContact CG-CG1 4.32Å; M167-L272 WeakPolarHBondContact O-CD2 3.48Å
168	S	98.8	Very high	98.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-71.7	52.8	172.4	57.4	0	0	0	0	113.4	Y153 Q190 M194 L198 I199 A200 P270	Y153-S168 PolarHBondContact OH-N 2.93Å; Y153-S168 PolarHBondContact OH-O 2.96Å; Y153-S168 PolarHBondContact OH-OG 2.92Å; Y153-S168 VanDerWaalsContact OH-OG 3.06Å; S168-Q190 PolarHBondContact O-NE2 3.05Å; S168-M194 VanDerWaalsContact O-CE 3.28Å; S168-M194 WeakPolarHBondContact O-CE 3.43Å; S168-L198 WeakPolarHBondContact CB-O 3.46Å; S168-L198 PolarHBondContact OG-O 3.17Å; S168-I199 WeakPolarHBondContact OG-CA 3.46Å; S168-A200 PolarHBondContact N-O 3.21Å; S168-A200 PolarHBondContact OG-N 3.09Å; S168-P270 CarbonylContact C-O 3.59Å; S168-P270 WeakPolarHBondContact CA-O 3.48Å; S168-P270 VanDerWaalsContact CB-O 3.32Å; S168-P270 WeakPolarHBondContact CB-O 3.41Å
169	A	98.7	Very high	97.8	Very high	2 Å²	2	55.8 Å²	55.8	2%	0.017	29%	0.293	C	S	.	.	S	Bend	trans	-158.7	162.9	-171.9	0	0	0	0	0	111.2	Y153 M167 F188 Q190	Y153-A169 HydrophobicContact CE1-CB 4.44Å; Y153-A169 HydrophobicContact CE2-CB 3.8Å; Y153-A169 WeakPolarHBondContact OH-CB 3.4Å; Y153-A169 PolarHBondContact OH-N 2.95Å; M167-A169 PolarHBondContact O-N 2.8Å; A169-F188 HydrophobicContact CB-CB 3.75Å; A169-Q190 HydrophobicContact CB-CB 4Å
170	V	98.4	Very high	97.7	Very high	54 Å²	54	59.3 Å²	59.3	33%	0.327	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	136	172.3	-175.6	0	0	0	0	109.3	F188 R189 Q252	V170-F188 CarbonylContact O-C 3.54Å; V170-F188 WeakPolarHBondContact O-CA 3.47Å; V170-R189 PolarHBondContact N-O 2.83Å; V170-R189 PolarHBondContact O-N 2.94Å; V170-Q252 HydrophobicContact CG2-CG 4.41Å
171	R	97.9	Very high	97.5	Very high	112 Å²	112	64 Å²	64	42%	0.423	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	133.7	175.1	-69.3	-176.6	-65.9	150.3	1.4	110.8	F188	R171-F188 HydrophobicContact CG-CD1 4.06Å; R171-F188 HydrophobicContact CG-CE1 3.81Å
172	D	98.1	Very high	97.5	Very high	81 Å²	81	59.1 Å²	59.1	43%	0.433	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	35.7	-176.6	-160.6	25.9	0	0	0	111.8	R187	D172-R187 HydrophobicContact CB-CB 3.98Å; D172-R187 PolarHBondContact N-O 2.79Å; D172-R187 WeakPolarHBondContact O-CB 3.42Å; D172-R187 PolarHBondContact O-NE 2.88Å
173	G	97.9	Very high	97.6	Very high	45 Å²	45	55.5 Å²	55.5	46%	0.464	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	88.1	-178.3	178.6	0	0	0	0	0	114.7	R187	G173-R187 PolarHBondContact O-N 2.75Å
174	Q	98.1	Very high	97.6	Very high	113 Å²	113	56.6 Å²	56.6	53%	0.528	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	156.6	179.9	71.3	-171.8	37.8	0	0	110.4	I184 V185 Y186	Q174-I184 HydrophobicContact CB-CG2 3.94Å; Q174-I184 HydrophobicContact CG-CG2 4.37Å; Q174-V185 CarbonylContact C-O 3.53Å; Q174-V185 WeakPolarHBondContact CA-O 3.34Å; Q174-Y186 HydrophobicContact CB-CD1 3.95Å; Q174-Y186 HydrophobicContact CB-CE1 4.2Å; Q174-Y186 HydrophobicContact CB-CG 4.39Å
175	E	98.2	Very high	97.6	Very high	81 Å²	81	55.7 Å²	55.7	38%	0.379	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	163.7	173.1	65.6	-165.4	-177.2	0	0	111.6	D177 I184 V185 R187	E175-D177 PolarHBondContact O-N 3.36Å; E175-I184 CarbonylContact O-C 3.55Å; E175-I184 WeakPolarHBondContact O-CA 3.43Å; E175-I184 WeakPolarHBondContact O-CG2 3.23Å; E175-V185 HydrophobicContact CG-CB 4.44Å; E175-V185 PolarHBondContact N-O 2.81Å; E175-V185 PolarHBondContact O-N 3.43Å; E175-R187 IonicContact OE1-CZ 3.78Å; E175-R187 IonicContact OE1-NH1 2.78Å; E175-R187 PolarHBondContact OE1-NH1 2.88Å; E175-R187 IonicContact OE1-NH2 3.96Å; E175-R187 IonicContact OE2-CZ 3.34Å; E175-R187 IonicContact OE2-NH1 2.96Å; E175-R187 PolarHBondContact OE2-NH1 3.08Å; E175-R187 IonicContact OE2-NH2 2.8Å; E175-R187 PolarHBondContact OE2-NH2 2.88Å
176	V	97.9	Very high	97.6	Very high	84 Å²	84	56.5 Å²	56.5	51%	0.509	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	135.3	170.3	178.2	0	0	0	0	108.8	P178 I184	V176-P178 WeakPolarHBondContact O-CD 3.02Å; V176-I184 HydrophobicContact CB-CD1 4.49Å; V176-I184 HydrophobicContact CG2-CD1 3.95Å
177	D	96.8	Very high	97.6	Very high	12 Å²	12	58.9 Å²	58.9	6%	0.064	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	120.9	179	-170.6	-32	0	0	0	109.7	S158 E175 Q179 D180 R183 V185	S158-D177 VanDerWaalsContact CB-OD2 3.28Å; S158-D177 WeakPolarHBondContact CB-OD2 3.33Å; S158-D177 PolarHBondContact OG-OD2 2.64Å; E175-D177 PolarHBondContact O-N 3.36Å; D177-Q179 PolarHBondContact O-N 2.94Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.43Å; D177-Q179 PolarHBondContact OD1-N 2.98Å; D177-D180 WeakPolarHBondContact CB-O 3.32Å; D177-D180 CarbonylContact O-C 3.33Å; D177-D180 PolarHBondContact O-N 3.34Å; D177-R183 HydrophobicContact CB-CB 3.82Å; D177-R183 PolarHBondContact N-O 3.12Å; D177-V185 HydrophobicContact CB-CG2 3.78Å
178	P	93.2	Very high	97.6	Very high	113 Å²	113	58.8 Å²	58.8	73%	0.734	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.5	-178.3	27.3	-35.2	0	0	0	113.1	V176	V176-P178 WeakPolarHBondContact O-CD 3.02Å
179	Q	93.3	Very high	97.6	Very high	184 Å²	184	65.9 Å²	65.9	86%	0.86	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-18.1	178.4	-57.2	-175.5	8.2	0	0	112.7	D177	D177-Q179 PolarHBondContact O-N 2.94Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.43Å; D177-Q179 PolarHBondContact OD1-N 2.98Å
180	D	95.7	Very high	97.6	Very high	73 Å²	73	65.9 Å²	65.9	39%	0.39	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	101.8	-179.6	-176.4	-5.3	0	0	0	112	D177 G182 R183	D177-D180 WeakPolarHBondContact CB-O 3.32Å; D177-D180 CarbonylContact O-C 3.33Å; D177-D180 PolarHBondContact O-N 3.34Å; D180-G182 PolarHBondContact O-N 2.83Å; D180-G182 WeakPolarHBondContact OD1-CA 3.03Å; D180-G182 PolarHBondContact OD1-N 3.01Å; D180-R183 HydrophobicContact CB-CB 4.42Å; D180-R183 HydrophobicContact CB-CG 4.08Å; D180-R183 WeakPolarHBondContact O-CB 3.32Å; D180-R183 PolarHBondContact O-N 3.03Å; D180-R183 WeakPolarHBondContact OD2-CD 3.48Å; D180-R183 WeakPolarHBondContact OD2-CG 3.39Å
181	T	95.3	Very high	97.6	Very high	120 Å²	120	66.9 Å²	66.9	74%	0.736	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	-11.4	178.7	62.5	0	0	0	0	114.9	R183	T181-R183 PolarHBondContact O-N 2.72Å
182	G	97.9	Very high	97.6	Very high	29 Å²	29	62.4 Å²	62.4	30%	0.299	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-3.3	170.2	0	0	0	0	0	114.1	K161 D180	K161-G182 WeakPolarHBondContact CB-O 3.29Å; K161-G182 WeakPolarHBondContact CG-O 3.01Å; K161-G182 PolarHBondContact N-O 3.34Å; D180-G182 PolarHBondContact O-N 2.83Å; D180-G182 WeakPolarHBondContact OD1-CA 3.03Å; D180-G182 PolarHBondContact OD1-N 3.01Å
183	R	98.6	Very high	97.6	Very high	22 Å²	22	59.9 Å²	59.9	8%	0.083	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	159.4	-169.7	-57.4	-177	73.5	90.5	-2.9	112.9	H23 V24 S158 V159 D177 D180 T181	H23-R183 PolarHBondContact CE1-NE 3.2Å; V24-R183 PolarHBondContact O-NH2 2.92Å; S158-R183 VanDerWaalsContact C-NH2 3.32Å; S158-R183 PolarHBondContact O-NH2 3.17Å; S158-R183 PolarHBondContact OG-NE 3.2Å; V159-R183 VanDerWaalsContact CA-NH2 3.29Å; V159-R183 CarbonylContact O-C 3.58Å; V159-R183 WeakPolarHBondContact O-CA 3.28Å; V159-R183 VanDerWaalsContact O-CB 3.23Å; V159-R183 WeakPolarHBondContact O-CB 3.32Å; D177-R183 HydrophobicContact CB-CB 3.82Å; D177-R183 PolarHBondContact N-O 3.12Å; D180-R183 HydrophobicContact CB-CB 4.42Å; D180-R183 HydrophobicContact CB-CG 4.08Å; D180-R183 WeakPolarHBondContact O-CB 3.32Å; D180-R183 PolarHBondContact O-N 3.03Å; D180-R183 WeakPolarHBondContact OD2-CD 3.48Å; D180-R183 WeakPolarHBondContact OD2-CG 3.39Å; T181-R183 PolarHBondContact O-N 2.72Å
184	I	98.7	Very high	97.6	Very high	25 Å²	25	57.8 Å²	57.8	13%	0.128	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.8	173.2	-60.8	-63.2	0	0	0	108.2	S158 V159 K161 Q174 E175 V176 Y186	S158-I184 WeakPolarHBondContact CA-O 3.2Å; V159-I184 PolarHBondContact N-O 3.03Å; V159-I184 PolarHBondContact O-N 2.81Å; K161-I184 HydrophobicContact CB-CD1 4.43Å; K161-I184 HydrophobicContact CB-CG1 3.88Å; Q174-I184 HydrophobicContact CB-CG2 3.94Å; Q174-I184 HydrophobicContact CG-CG2 4.37Å; E175-I184 CarbonylContact O-C 3.55Å; E175-I184 WeakPolarHBondContact O-CA 3.43Å; E175-I184 WeakPolarHBondContact O-CG2 3.23Å; V176-I184 HydrophobicContact CB-CD1 4.49Å; V176-I184 HydrophobicContact CG2-CD1 3.95Å; I184-Y186 HydrophobicContact CB-CD2 4.38Å; I184-Y186 HydrophobicContact CB-CE2 3.82Å; I184-Y186 HydrophobicContact CG2-CD2 3.82Å; I184-Y186 HydrophobicContact CG2-CE1 4.46Å; I184-Y186 HydrophobicContact CG2-CE2 3.44Å; I184-Y186 VanDerWaalsContact CG2-CE2 3.44Å; I184-Y186 HydrophobicContact CG2-CG 4.46Å
185	V	98.8	Very high	97.7	Very high	12 Å²	12	52.4 Å²	52.4	7%	0.073	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.4	168.5	178.9	0	0	0	0	108.5	Q156 V157 Q174 E175 D177	Q156-V185 HydrophobicContact CB-CG1 3.99Å; V157-V185 WeakPolarHBondContact O-CA 3.43Å; Q174-V185 CarbonylContact C-O 3.53Å; Q174-V185 WeakPolarHBondContact CA-O 3.34Å; E175-V185 HydrophobicContact CG-CB 4.44Å; E175-V185 PolarHBondContact N-O 2.81Å; E175-V185 PolarHBondContact O-N 3.43Å; D177-V185 HydrophobicContact CB-CG2 3.78Å
186	Y	98.9	Very high	97.7	Very high	18 Å²	18	48.6 Å²	48.6	7%	0.071	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	136.8	170.6	-67.6	-97.8	0	0	0	109.8	Q156 V157 V159 L163 V164 A165 Q174 I184	Q156-Y186 CarbonylContact C-O 3.56Å; Q156-Y186 WeakPolarHBondContact CA-O 3.32Å; V157-Y186 PolarHBondContact N-O 2.79Å; V157-Y186 PolarHBondContact O-N 2.97Å; V159-Y186 HydrophobicContact CG2-CD2 3.7Å; V159-Y186 HydrophobicContact CG2-CE2 3.43Å; V159-Y186 VanDerWaalsContact CG2-CE2 3.43Å; L163-Y186 PolarHBondContact O-OH 2.9Å; V164-Y186 WeakPolarHBondContact CA-OH 3.42Å; V164-Y186 HydrophobicContact CG1-CE1 4.13Å; A165-Y186 HydrophobicContact CB-CD2 3.75Å; A165-Y186 HydrophobicContact CB-CE2 4.44Å; A165-Y186 HydrophobicContact CB-CG 3.87Å; Q174-Y186 HydrophobicContact CB-CD1 3.95Å; Q174-Y186 HydrophobicContact CB-CE1 4.2Å; Q174-Y186 HydrophobicContact CB-CG 4.39Å; I184-Y186 HydrophobicContact CB-CD2 4.38Å; I184-Y186 HydrophobicContact CB-CE2 3.82Å; I184-Y186 HydrophobicContact CG2-CD2 3.82Å; I184-Y186 HydrophobicContact CG2-CE1 4.46Å; I184-Y186 HydrophobicContact CG2-CE2 3.44Å; I184-Y186 VanDerWaalsContact CG2-CE2 3.44Å; I184-Y186 HydrophobicContact CG2-CG 4.46Å
187	R	98.9	Very high	97.7	Very high	53 Å²	53	44.6 Å²	44.6	20%	0.2	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	143.1	179.1	-68.2	-177.1	-91	-106.1	0.4	111.3	Y154 A155 Q156 D172 G173 E175	Y154-R187 HydrophobicContact CE2-CB 4.47Å; Y154-R187 WeakPolarHBondContact OH-CD 3.42Å; Y154-R187 WeakPolarHBondContact OH-CG 3.46Å; A155-R187 CarbonylContact O-C 3.46Å; A155-R187 WeakPolarHBondContact O-CA 3.48Å; Q156-R187 HydrophobicContact CG-CG 4.27Å; D172-R187 HydrophobicContact CB-CB 3.98Å; D172-R187 PolarHBondContact N-O 2.79Å; D172-R187 WeakPolarHBondContact O-CB 3.42Å; D172-R187 PolarHBondContact O-NE 2.88Å; G173-R187 PolarHBondContact O-N 2.75Å; E175-R187 IonicContact OE1-CZ 3.78Å; E175-R187 IonicContact OE1-NH1 2.78Å; E175-R187 PolarHBondContact OE1-NH1 2.88Å; E175-R187 IonicContact OE1-NH2 3.96Å; E175-R187 IonicContact OE2-CZ 3.34Å; E175-R187 IonicContact OE2-NH1 2.96Å; E175-R187 PolarHBondContact OE2-NH1 3.08Å; E175-R187 IonicContact OE2-NH2 2.8Å; E175-R187 PolarHBondContact OE2-NH2 2.88Å
188	F	98.9	Very high	97.8	Very high	1 Å²	1	44 Å²	44	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	145.7	179.8	-52.2	-89.2	0	0	0	111.8	Y154 A155 V157 A165 M167 A169 V170 R171	Y154-F188 WeakPolarHBondContact CA-O 3.24Å; Y154-F188 WeakPolarHBondContact CD2-O 3.46Å; A155-F188 HydrophobicContact CB-CB 4.39Å; A155-F188 HydrophobicContact CB-CD2 4.37Å; A155-F188 PolarHBondContact N-O 3.4Å; A155-F188 PolarHBondContact O-N 2.91Å; V157-F188 HydrophobicContact CB-CE2 4.26Å; V157-F188 HydrophobicContact CG2-CD2 4.12Å; V157-F188 HydrophobicContact CG2-CE2 3.83Å; A165-F188 HydrophobicContact CB-CE2 4.28Å; A165-F188 HydrophobicContact CB-CZ 4.04Å; A165-F188 WeakPolarHBondContact O-CZ 3.48Å; M167-F188 HydrophobicContact CB-CB 4.45Å; M167-F188 HydrophobicContact CB-CD1 3.97Å; M167-F188 HydrophobicContact CB-CD2 4.2Å; M167-F188 HydrophobicContact CB-CE1 4.26Å; M167-F188 HydrophobicContact CB-CE2 4.49Å; M167-F188 HydrophobicContact CB-CG 3.95Å; M167-F188 HydrophobicContact CG-CD1 4.35Å; M167-F188 HydrophobicContact CG-CD2 3.79Å; M167-F188 HydrophobicContact CG-CE1 4.37Å; M167-F188 HydrophobicContact CG-CE2 3.82Å; M167-F188 HydrophobicContact CG-CG 4.06Å; M167-F188 HydrophobicContact CG-CZ 4.13Å; M167-F188 HydrophobicContact SD-CD2 3.59Å; M167-F188 VanDerWaalsContact SD-CD2 3.59Å; M167-F188 HydrophobicContact SD-CE2 4.01Å; M167-F188 HydrophobicContact SD-CG 4.14Å; A169-F188 HydrophobicContact CB-CB 3.75Å; V170-F188 CarbonylContact O-C 3.54Å; V170-F188 WeakPolarHBondContact O-CA 3.47Å; R171-F188 HydrophobicContact CG-CD1 4.06Å; R171-F188 HydrophobicContact CG-CE1 3.81Å
189	R	98.7	Very high	98.1	Very high	150 Å²	150	38.7 Å²	38.7	57%	0.566	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	121.6	176.9	-173.8	177.3	178.7	-179.8	-0.6	110.6	Y154 V170 P191	Y154-R189 HydrophobicContact CD2-CB 4.4Å; V170-R189 PolarHBondContact N-O 2.83Å; V170-R189 PolarHBondContact O-N 2.94Å; R189-P191 WeakPolarHBondContact O-CD 3.37Å
190	Q	98.8	Very high	98.3	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	96.6	167.8	179	53.5	-102	0	0	109.3	T152 Y153 S168 A169 V192 M194	T152-Q190 WeakPolarHBondContact CB-O 3.47Å; Y153-Q190 HydrophobicContact CD1-CB 3.39Å; Y153-Q190 HydrophobicContact CD1-CG 3.88Å; Y153-Q190 HydrophobicContact CD2-CB 4.31Å; Y153-Q190 HydrophobicContact CE1-CB 3.36Å; Y153-Q190 HydrophobicContact CE1-CG 3.8Å; Y153-Q190 HydrophobicContact CE2-CB 4.28Å; Y153-Q190 HydrophobicContact CG-CB 3.9Å; Y153-Q190 PolarHBondContact N-O 3.45Å; Y153-Q190 VanDerWaalsContact N-O 3.14Å; Y153-Q190 PolarHBondContact O-N 3.17Å; S168-Q190 PolarHBondContact O-NE2 3.05Å; A169-Q190 HydrophobicContact CB-CB 4Å; Q190-V192 WeakPolarHBondContact CG-O 3.47Å; Q190-V192 PolarHBondContact OE1-O 2.97Å; Q190-M194 HydrophobicContact CG-CE 3.6Å; Q190-M194 HydrophobicContact CG-CG 4.16Å; Q190-M194 HydrophobicContact CG-SD 4.46Å; Q190-M194 VanDerWaalsContact NE2-CE 3.33Å
191	P	98.2	Very high	98.5	Very high	76 Å²	76	26.5 Å²	26.5	49%	0.494	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-15.7	-177.6	33.2	-35.6	0	0	0	113.4	T152 R189	T152-P191 VanDerWaalsContact CG2-O 3.23Å; T152-P191 WeakPolarHBondContact CG2-O 3.33Å; R189-P191 WeakPolarHBondContact O-CD 3.37Å
192	V	98.7	Very high	98.7	Very high	17 Å²	17	20.8 Å²	20.8	10%	0.103	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.3	178.7	-176.5	0	0	0	0	109.3	Q190 M194 W250 Y413	Q190-V192 WeakPolarHBondContact CG-O 3.47Å; Q190-V192 PolarHBondContact OE1-O 2.97Å; V192-M194 PolarHBondContact O-N 3.22Å; V192-W250 HydrophobicContact CB-CE3 3.69Å; V192-W250 HydrophobicContact CB-CH2 4.25Å; V192-W250 HydrophobicContact CB-CZ3 3.51Å; V192-W250 HydrophobicContact CG1-CE3 3.87Å; V192-W250 HydrophobicContact CG1-CH2 3.59Å; V192-W250 HydrophobicContact CG1-CZ2 4.24Å; V192-W250 HydrophobicContact CG1-CZ3 3.38Å; V192-W250 HydrophobicContact CG2-CE3 4.11Å; V192-W250 HydrophobicContact CG2-CZ3 4.41Å; V192-Y413 HydrophobicContact CG1-CD1 4.08Å; V192-Y413 HydrophobicContact CG1-CE1 3.79Å
193	A	98.6	Very high	98.7	Very high	29 Å²	29	19.4 Å²	19.4	24%	0.24	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	126.5	-179.6	0	0	0	0	0	111	K150 H151 T152	K150-A193 HydrophobicContact CB-CB 3.94Å; H151-A193 WeakPolarHBondContact O-CA 3.19Å; T152-A193 HydrophobicContact CG2-CB 4.3Å
194	M	98.4	Very high	98.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	154.6	-178.5	60.2	147.8	82.7	0	0	111.1	K150 H151 Y153 S168 Q190 V192 L198 W250 P270	K150-M194 CarbonylContact C-O 3.59Å; K150-M194 WeakPolarHBondContact CA-O 3.47Å; H151-M194 PolarHBondContact N-O 2.96Å; H151-M194 PolarHBondContact O-N 2.7Å; Y153-M194 HydrophobicContact CD1-SD 4.48Å; Y153-M194 HydrophobicContact CE1-CE 4.03Å; Y153-M194 HydrophobicContact CE1-SD 4.06Å; S168-M194 VanDerWaalsContact O-CE 3.28Å; S168-M194 WeakPolarHBondContact O-CE 3.43Å; Q190-M194 HydrophobicContact CG-CE 3.6Å; Q190-M194 HydrophobicContact CG-CG 4.16Å; Q190-M194 HydrophobicContact CG-SD 4.46Å; Q190-M194 VanDerWaalsContact NE2-CE 3.33Å; V192-M194 PolarHBondContact O-N 3.22Å; M194-L198 HydrophobicContact CB-CB 4.47Å; M194-L198 HydrophobicContact CB-CD1 4.26Å; M194-L198 HydrophobicContact CE-CB 4.31Å; M194-L198 HydrophobicContact SD-CB 3.51Å; M194-L198 VanDerWaalsContact SD-CB 3.51Å; M194-W250 HydrophobicContact CB-CZ3 4.47Å; M194-P270 HydrophobicContact CE-CB 3.55Å; M194-P270 HydrophobicContact CE-CG 3.36Å; M194-P270 HydrophobicContact SD-CG 4.39Å
195	P	98.6	Very high	98.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	155.9	171.7	30.5	-38.9	0	0	0	113.4	P147 I149 Y197 L198 T304	P147-P195 HydrophobicContact CB-CB 4.29Å; I149-P195 WeakPolarHBondContact O-CA 3.49Å; P195-Y197 HydrophobicContact CB-CD1 3.64Å; P195-Y197 HydrophobicContact CB-CE1 3.66Å; P195-Y197 HydrophobicContact CG-CD1 3.57Å; P195-Y197 HydrophobicContact CG-CE1 3.14Å; P195-Y197 PolarHBondContact O-N 3.09Å; P195-L198 HydrophobicContact CG-CD1 3.84Å; P195-L198 HydrophobicContact CG-CG 4.04Å; P195-L198 PolarHBondContact O-N 2.8Å; P195-L198 VanDerWaalsContact O-N 3.1Å; P195-T304 HydrophobicContact CG-CG2 4.01Å
196	S	98.5	Very high	98.6	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-55	-35.8	-177.6	55.4	0	0	0	0	113.6	D145 L198 I199	D145-S196 PolarHBondContact OD1-OG 3.2Å; S196-L198 PolarHBondContact O-N 3.06Å; S196-I199 WeakPolarHBondContact O-CB 3.27Å; S196-I199 WeakPolarHBondContact O-CG1 3.36Å; S196-I199 PolarHBondContact O-N 3.44Å
197	Y	98.6	Very high	98.6	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-63.8	-15.5	-178.1	81.4	-98.6	0	0	0	114	C132 Q133 P147 P195 M267 G300 T304 W308 N314	C132-Y197 VanDerWaalsContact CB-O 3.23Å; C132-Y197 WeakPolarHBondContact CB-O 3.48Å; Q133-Y197 HydrophobicContact CB-CD2 3.88Å; Q133-Y197 HydrophobicContact CG-CD2 3.82Å; Q133-Y197 HydrophobicContact CG-CE2 4.3Å; Q133-Y197 HydrophobicContact CG-CG 4.48Å; P147-Y197 HydrophobicContact CB-CD1 4.07Å; P147-Y197 HydrophobicContact CB-CE1 3.95Å; P195-Y197 HydrophobicContact CB-CD1 3.64Å; P195-Y197 HydrophobicContact CB-CE1 3.66Å; P195-Y197 HydrophobicContact CG-CD1 3.57Å; P195-Y197 HydrophobicContact CG-CE1 3.14Å; P195-Y197 PolarHBondContact O-N 3.09Å; Y197-M267 HydrophobicContact CD2-CE 3.93Å; Y197-M267 HydrophobicContact CE2-CE 4.04Å; Y197-G300 PolarHBondContact OH-O 2.92Å; Y197-T304 HydrophobicContact CE1-CG2 3.87Å; Y197-W308 AromaticContact CD1-CH2 3.58Å; Y197-W308 HydrophobicContact CD1-CH2 3.58Å; Y197-W308 AromaticContact CD1-CZ2 3.72Å; Y197-W308 HydrophobicContact CD1-CZ2 3.72Å; Y197-W308 AromaticContact CD2-CH2 3.99Å; Y197-W308 HydrophobicContact CD2-CH2 3.99Å; Y197-W308 AromaticContact CE1-CH2 3.83Å; Y197-W308 HydrophobicContact CE1-CH2 3.83Å; Y197-W308 HydrophobicContact CE1-CZ2 4.33Å; Y197-W308 HydrophobicContact CE2-CH2 4.22Å; Y197-W308 AromaticContact CG-CH2 3.69Å; Y197-W308 HydrophobicContact CG-CH2 3.69Å; Y197-W308 AromaticContact CG-CZ2 3.92Å; Y197-W308 HydrophobicContact CG-CZ2 3.92Å; Y197-N314 PolarHBondContact OH-ND2 3.43Å
198	L	98.8	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-94.5	-1.8	177.7	-67.6	-177.6	0	0	0	113.4	S168 M194 P195 S196 A200 M267 E268 P270 N301	S168-L198 WeakPolarHBondContact CB-O 3.46Å; S168-L198 PolarHBondContact OG-O 3.17Å; M194-L198 HydrophobicContact CB-CB 4.47Å; M194-L198 HydrophobicContact CB-CD1 4.26Å; M194-L198 HydrophobicContact CE-CB 4.31Å; M194-L198 HydrophobicContact SD-CB 3.51Å; M194-L198 VanDerWaalsContact SD-CB 3.51Å; P195-L198 HydrophobicContact CG-CD1 3.84Å; P195-L198 HydrophobicContact CG-CG 4.04Å; P195-L198 PolarHBondContact O-N 2.8Å; P195-L198 VanDerWaalsContact O-N 3.1Å; S196-L198 PolarHBondContact O-N 3.06Å; L198-A200 PolarHBondContact O-N 2.69Å; L198-M267 HydrophobicContact CD2-CE 3.61Å; L198-E268 HydrophobicContact CD2-CG 3.91Å; L198-P270 HydrophobicContact CB-CG 4.21Å; L198-P270 HydrophobicContact CD1-CG 3.8Å; L198-P270 HydrophobicContact CG-CG 4.46Å; L198-N301 HydrophobicContact CD1-CB 4.05Å; L198-N301 WeakPolarHBondContact CD1-OD1 3.22Å
199	I	98.9	Very high	98.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.121	C	C	.	.			trans	-68.5	123.8	168.4	-59.9	177.7	0	0	0	108	L18 C132 M140 I141 Y153 M167 S168 S196	L18-I199 HydrophobicContact CD1-CD1 3.67Å; C132-I199 PolarHBondContact SG-O 2.86Å; M140-I199 HydrophobicContact CE-CB 4.42Å; M140-I199 HydrophobicContact CE-CG2 3.76Å; I141-I199 HydrophobicContact CD1-CD1 3.94Å; I141-I199 HydrophobicContact CD1-CG2 4.05Å; Y153-I199 HydrophobicContact CE1-CG1 4.49Å; M167-I199 HydrophobicContact CE-CG2 4.28Å; S168-I199 WeakPolarHBondContact OG-CA 3.46Å; S196-I199 WeakPolarHBondContact O-CB 3.27Å; S196-I199 WeakPolarHBondContact O-CG1 3.36Å; S196-I199 PolarHBondContact O-N 3.44Å
200	A	98.7	Very high	98.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.			trans	-133.4	148.4	176	0	0	0	0	0	111.7	S130 M167 S168 L198 N269 F274	S130-A200 VanDerWaalsContact OG-CA 3.27Å; S130-A200 WeakPolarHBondContact OG-CA 3.35Å; M167-A200 WeakPolarHBondContact CA-O 3.26Å; M167-A200 VanDerWaalsContact CB-O 3.26Å; M167-A200 WeakPolarHBondContact CB-O 3.44Å; M167-A200 WeakPolarHBondContact CE-O 3.27Å; M167-A200 WeakPolarHBondContact CG-O 3.37Å; S168-A200 PolarHBondContact N-O 3.21Å; S168-A200 PolarHBondContact OG-N 3.09Å; L198-A200 PolarHBondContact O-N 2.69Å; A200-N269 HydrophobicContact CB-CB 4.06Å; A200-N269 VanDerWaalsContact CB-CG 3.44Å; A200-N269 WeakPolarHBondContact CB-ND2 3.4Å; A200-F274 HydrophobicContact CB-CE1 4.35Å; A200-F274 HydrophobicContact CB-CE2 4.23Å; A200-F274 HydrophobicContact CB-CZ 3.72Å
201	I	98.8	Very high	98.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	137.9	174	-177.9	170.6	0	0	0	109.5	L22 V24 L112 F129 S130 M140 V157 M167 V203	L22-I201 HydrophobicContact CD1-CD1 4.18Å; V24-I201 HydrophobicContact CG2-CD1 4.2Å; L112-I201 HydrophobicContact CD2-CG2 4.43Å; F129-I201 CarbonylContact C-O 3.59Å; F129-I201 WeakPolarHBondContact CA-O 3.39Å; S130-I201 PolarHBondContact N-O 3.3Å; S130-I201 PolarHBondContact OG-N 3.02Å; S130-I201 PolarHBondContact OG-O 3.48Å; M140-I201 HydrophobicContact SD-CG2 3.6Å; V157-I201 HydrophobicContact CG1-CD1 3.7Å; V157-I201 HydrophobicContact CG2-CD1 4.26Å; M167-I201 HydrophobicContact CE-CB 4.3Å; M167-I201 HydrophobicContact CG-CB 4.31Å; M167-I201 HydrophobicContact CG-CG1 4.32Å; I201-V203 HydrophobicContact CD1-CG2 4.27Å; I201-V203 HydrophobicContact CG1-CG2 4.21Å
202	V	98.8	Very high	98.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.7	165.7	-179	0	0	0	0	109.6	Y127 L128 F129 A165 V166 L206 L256 L258 F274	Y127-V202 HydrophobicContact CD1-CG1 4.26Å; Y127-V202 HydrophobicContact CE1-CG1 3.34Å; Y127-V202 HydrophobicContact CE2-CG1 4.34Å; Y127-V202 VanDerWaalsContact OH-CG1 3.25Å; Y127-V202 WeakPolarHBondContact OH-CG1 3.17Å; L128-V202 CarbonylContact O-C 3.5Å; L128-V202 VanDerWaalsContact O-CA 3.24Å; L128-V202 WeakPolarHBondContact O-CA 3.42Å; L128-V202 VanDerWaalsContact O-CG1 3.31Å; L128-V202 WeakPolarHBondContact O-CG1 3.04Å; F129-V202 HydrophobicContact CB-CG1 4.39Å; F129-V202 HydrophobicContact CB-CG2 3.78Å; A165-V202 CarbonylContact C-O 3.6Å; A165-V202 VanDerWaalsContact CA-O 3.28Å; A165-V202 WeakPolarHBondContact CA-O 3.37Å; V166-V202 HydrophobicContact CG2-CB 3.79Å; V166-V202 HydrophobicContact CG2-CG1 4.49Å; V166-V202 HydrophobicContact CG2-CG2 4.48Å; V166-V202 PolarHBondContact N-O 3.29Å; V166-V202 PolarHBondContact O-N 3.1Å; V202-L206 HydrophobicContact CG1-CD1 4.07Å; V202-L256 HydrophobicContact CB-CD2 3.85Å; V202-L256 HydrophobicContact CG1-CD2 3.95Å; V202-L256 HydrophobicContact CG2-CD2 3.31Å; V202-L258 HydrophobicContact CG2-CD2 4.18Å; V202-F274 HydrophobicContact CG2-CE1 3.76Å; V202-F274 HydrophobicContact CG2-CE2 3.8Å; V202-F274 HydrophobicContact CG2-CZ 3.19Å
203	V	98.9	Very high	98.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	122.5	172.1	-176.1	0	0	0	0	109.3	V24 F26 Y127 L128 V159 L163 V164 A165 I201	V24-V203 HydrophobicContact CG1-CG2 4.36Å; V24-V203 HydrophobicContact CG2-CG2 4.05Å; F26-V203 HydrophobicContact CE2-CB 4.3Å; F26-V203 HydrophobicContact CE2-CG1 3.75Å; F26-V203 HydrophobicContact CZ-CB 4.07Å; F26-V203 HydrophobicContact CZ-CG1 3.93Å; Y127-V203 CarbonylContact C-O 3.59Å; Y127-V203 WeakPolarHBondContact CA-O 3.48Å; L128-V203 HydrophobicContact CB-CB 4.3Å; L128-V203 HydrophobicContact CD2-CG2 4.47Å; L128-V203 PolarHBondContact N-O 3.3Å; L128-V203 PolarHBondContact O-N 2.84Å; V159-V203 HydrophobicContact CB-CG1 3.78Å; V159-V203 HydrophobicContact CG1-CB 4.26Å; V159-V203 HydrophobicContact CG1-CG1 3.55Å; V159-V203 HydrophobicContact CG1-CG2 3.64Å; V159-V203 HydrophobicContact CG2-CG1 4.4Å; L163-V203 HydrophobicContact CB-CG1 3.9Å; L163-V203 HydrophobicContact CD1-CG1 3.95Å; V164-V203 WeakPolarHBondContact O-CA 3.24Å; A165-V203 HydrophobicContact CB-CG2 4.16Å; I201-V203 HydrophobicContact CD1-CG2 4.27Å; I201-V203 HydrophobicContact CG1-CG2 4.21Å
204	G	98.4	Very high	98.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	-176	179.6	0	0	0	0	0	112.9	V164 L206	V164-G204 PolarHBondContact N-O 3.48Å; V164-G204 PolarHBondContact O-N 2.93Å; V164-G204 VanDerWaalsContact O-N 3.11Å; G204-L206 PolarHBondContact O-N 3.04Å
205	A	98.1	Very high	98.5	Very high	38 Å²	38	27.6 Å²	27.6	31%	0.314	15%	0.149	S	C	.	.	S	Bend	trans	-77.1	72.6	172.5	0	0	0	0	0	110.4	Q125	Q125-A205 HydrophobicContact CB-CB 4Å; Q125-A205 HydrophobicContact CG-CB 4.08Å
206	L	98.6	Very high	98.5	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.042	16%	0.159	C	C	.	.			trans	-94.1	136.5	-173.6	-56.3	173.8	0	0	0	112.3	Y127 V164 V166 V202 G204 W218 S219 L256	Y127-L206 HydrophobicContact CE2-CD2 3.58Å; Y127-L206 WeakPolarHBondContact OH-CD2 3.28Å; V164-L206 HydrophobicContact CB-CB 4.09Å; V164-L206 HydrophobicContact CG1-CB 4.39Å; V166-L206 HydrophobicContact CG1-CD1 4.24Å; V166-L206 HydrophobicContact CG2-CD1 3.66Å; V202-L206 HydrophobicContact CG1-CD1 4.07Å; G204-L206 PolarHBondContact O-N 3.04Å; L206-W218 HydrophobicContact CB-CE3 4.17Å; L206-S219 WeakPolarHBondContact CA-O 3.35Å; L206-L256 HydrophobicContact CD1-CD1 4.36Å; L206-L256 HydrophobicContact CD2-CD1 3.95Å
207	E	98.4	Very high	98.5	Very high	79 Å²	79	30.2 Å²	30.2	37%	0.369	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	163.3	168.9	-71.4	-67.6	159.8	0	0	109.8	R209 W218 S219 M221 V224	E207-R209 IonicContact OE2-NH1 3.77Å; E207-W218 VanDerWaalsContact O-CA 3.28Å; E207-W218 WeakPolarHBondContact O-CA 3.25Å; E207-S219 PolarHBondContact N-O 2.88Å; E207-S219 PolarHBondContact O-N 2.77Å; E207-S219 VanDerWaalsContact O-N 3.12Å; E207-M221 HydrophobicContact CG-CB 4.33Å; E207-M221 HydrophobicContact CG-CE 3.56Å; E207-M221 HydrophobicContact CG-SD 4.13Å; E207-V224 HydrophobicContact CB-CB 4.42Å; E207-V224 HydrophobicContact CB-CG1 4.19Å; E207-V224 HydrophobicContact CB-CG2 4.37Å
208	S	98.6	Very high	98.5	Very high	17 Å²	17	30.6 Å²	30.6	12%	0.119	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.9	172.1	54.2	0	0	0	0	114.8	R216 V217 W218	S208-R216 PolarHBondContact OG-NE 3.24Å; S208-R216 VanDerWaalsContact OG-NE 3.11Å; S208-R216 PolarHBondContact OG-NH2 2.87Å; S208-V217 CarbonylContact C-O 3.56Å; S208-V217 WeakPolarHBondContact CA-O 3.34Å; S208-V217 VanDerWaalsContact CB-O 3.27Å; S208-V217 WeakPolarHBondContact CB-O 3.37Å; S208-W218 WeakPolarHBondContact OG-CH2 3.41Å
209	R	98.6	Very high	98.5	Very high	73 Å²	73	30.7 Å²	30.7	28%	0.275	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.4	172	-58	-67	179.6	-96.2	-2.3	109.3	E207 R216 V217 V224 D225 A228	E207-R209 IonicContact OE2-NH1 3.77Å; R209-R216 CarbonylContact O-C 3.57Å; R209-R216 WeakPolarHBondContact O-CA 3.47Å; R209-R216 WeakPolarHBondContact O-CB 3.17Å; R209-V217 HydrophobicContact CB-CG1 4Å; R209-V217 PolarHBondContact N-O 3.04Å; R209-V217 PolarHBondContact O-N 2.84Å; R209-V224 HydrophobicContact CG-CG1 4.37Å; R209-V224 HydrophobicContact CG-CG2 3.82Å; R209-D225 IonicContact CZ-OD1 2.8Å; R209-D225 IonicContact NE-OD1 3.86Å; R209-D225 PolarHBondContact NE-OD1 3.4Å; R209-D225 IonicContact NH2-OD1 3.91Å; R209-D225 PolarHBondContact NH2-OD1 3.03Å; R209-A228 HydrophobicContact CB-CB 3.94Å; R209-A228 HydrophobicContact CG-CB 4.26Å
210	E	98.6	Very high	98.4	Very high	148 Å²	148	30.9 Å²	30.9	69%	0.692	16%	0.161	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.8	172.4	-68.1	176.4	-177	0	0	109.4	R216	E210-R216 HydrophobicContact CG-CG 4.42Å; E210-R216 IonicContact OE1-NH1 2.76Å; E210-R216 PolarHBondContact OE1-NH1 3.47Å
211	I	98.3	Very high	98.3	Very high	22 Å²	22	35.3 Å²	35.3	11%	0.113	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-1	178.4	58.3	167.3	0	0	0	112	S215 V217 A228 F231 T234	I211-S215 WeakPolarHBondContact CG1-O 3.4Å; I211-S215 PolarHBondContact N-O 3.44Å; I211-V217 HydrophobicContact CD1-CB 4.29Å; I211-V217 HydrophobicContact CG2-CB 4.17Å; I211-V217 HydrophobicContact CG2-CG1 3.88Å; I211-A228 HydrophobicContact CG2-CB 3.96Å; I211-F231 HydrophobicContact CD1-CB 4.22Å; I211-T234 HydrophobicContact CD1-CG2 4.36Å
212	G	97.9	Very high	98.1	Very high	24 Å²	24	39.9 Å²	39.9	25%	0.247	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	176.5	179.2	0	0	0	0	0	112	R214 S215	G212-R214 PolarHBondContact O-N 3.01Å; G212-R214 VanDerWaalsContact O-N 3.15Å; G212-S215 PolarHBondContact N-O 3.27Å; G212-S215 PolarHBondContact O-N 3.04Å
213	P	98.2	Very high	98	Very high	108 Å²	108	42.1 Å²	42.1	70%	0.701	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.5	-175.4	28.5	-35.4	0	0	0	114.1	E235	P213-E235 HydrophobicContact CG-CG 3.95Å
214	R	98.2	Very high	97.9	Very high	56 Å²	56	42.1 Å²	42.1	21%	0.211	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.5	20.5	-177.9	59	179.4	164.9	-178.1	-5.1	112.5	G212 E235 E242 Q252 Y253	G212-R214 PolarHBondContact O-N 3.01Å; G212-R214 VanDerWaalsContact O-N 3.15Å; R214-E235 IonicContact CZ-OE2 2.82Å; R214-E235 IonicContact NE-OE2 2.78Å; R214-E235 PolarHBondContact NE-OE2 3.34Å; R214-E235 IonicContact NH2-OE1 2.98Å; R214-E235 IonicContact NH2-OE2 3.36Å; R214-E235 PolarHBondContact NH2-OE2 3.37Å; R214-E242 IonicContact CZ-OE1 3.22Å; R214-E242 IonicContact CZ-OE2 3.53Å; R214-E242 VanDerWaalsContact NH1-CD 3.29Å; R214-E242 IonicContact NH1-OE1 2.66Å; R214-E242 PolarHBondContact NH1-OE1 3.09Å; R214-E242 IonicContact NH1-OE2 3.83Å; R214-E242 PolarHBondContact NH1-OE2 2.96Å; R214-E242 IonicContact NH2-OE1 2.77Å; R214-E242 IonicContact NH2-OE2 3.53Å; R214-E242 PolarHBondContact NH2-OE2 2.79Å; R214-Q252 WeakPolarHBondContact O-CA 3.17Å; R214-Y253 PolarHBondContact O-N 3.41Å
215	S	98.6	Very high	97.9	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	129.2	-171.4	-64	0	0	0	0	111.9	I211 G212 Y253	I211-S215 WeakPolarHBondContact CG1-O 3.4Å; I211-S215 PolarHBondContact N-O 3.44Å; G212-S215 PolarHBondContact N-O 3.27Å; G212-S215 PolarHBondContact O-N 3.04Å; S215-Y253 WeakPolarHBondContact CA-O 3.43Å; S215-Y253 WeakPolarHBondContact CB-O 3.33Å; S215-Y253 PolarHBondContact OG-O 2.81Å
216	R	98.6	Very high	97.9	Very high	56 Å²	56	51 Å²	51	21%	0.211	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	150.5	166.2	-53.4	178.8	74.1	78.4	3.1	109.6	S208 R209 E210 D254 V255	S208-R216 PolarHBondContact OG-NE 3.24Å; S208-R216 VanDerWaalsContact OG-NE 3.11Å; S208-R216 PolarHBondContact OG-NH2 2.87Å; R209-R216 CarbonylContact O-C 3.57Å; R209-R216 WeakPolarHBondContact O-CA 3.47Å; R209-R216 WeakPolarHBondContact O-CB 3.17Å; E210-R216 HydrophobicContact CG-CG 4.42Å; E210-R216 IonicContact OE1-NH1 2.76Å; E210-R216 PolarHBondContact OE1-NH1 3.47Å; R216-D254 PolarHBondContact N-OD1 2.85Å; R216-D254 CarbonylContact O-C 3.55Å; R216-D254 WeakPolarHBondContact O-CA 3.48Å; R216-D254 WeakPolarHBondContact O-CB 3.46Å; R216-V255 PolarHBondContact O-N 2.85Å
217	V	98.6	Very high	97.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	139.3	159.7	70.6	0	0	0	0	109.4	S208 R209 I211 V224 A227 A228 F231 V255 V257	S208-V217 CarbonylContact C-O 3.56Å; S208-V217 WeakPolarHBondContact CA-O 3.34Å; S208-V217 VanDerWaalsContact CB-O 3.27Å; S208-V217 WeakPolarHBondContact CB-O 3.37Å; R209-V217 HydrophobicContact CB-CG1 4Å; R209-V217 PolarHBondContact N-O 3.04Å; R209-V217 PolarHBondContact O-N 2.84Å; I211-V217 HydrophobicContact CD1-CB 4.29Å; I211-V217 HydrophobicContact CG2-CB 4.17Å; I211-V217 HydrophobicContact CG2-CG1 3.88Å; V217-V224 HydrophobicContact CG1-CG2 4.27Å; V217-A227 HydrophobicContact CG1-CB 4.48Å; V217-A227 HydrophobicContact CG2-CB 3.58Å; V217-A228 HydrophobicContact CG1-CB 3.82Å; V217-F231 HydrophobicContact CG2-CD2 4.13Å; V217-V255 CarbonylContact C-O 3.47Å; V217-V255 VanDerWaalsContact CA-O 3.23Å; V217-V255 WeakPolarHBondContact CA-O 3.47Å; V217-V255 HydrophobicContact CG2-CB 4.44Å; V217-V257 HydrophobicContact CG2-CG2 4.33Å
218	W	98.8	Very high	97.9	Very high	10 Å²	10	47.9 Å²	47.9	4%	0.038	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.2	174.9	-64.6	86.1	0	0	0	109.4	V164 V166 L206 E207 S208 D254 V255 L256 V257	V164-W218 HydrophobicContact CG1-CZ3 4.21Å; V166-W218 HydrophobicContact CG1-CD2 4.2Å; V166-W218 HydrophobicContact CG1-CE3 4.2Å; V166-W218 HydrophobicContact CG1-CZ3 4.37Å; L206-W218 HydrophobicContact CB-CE3 4.17Å; E207-W218 VanDerWaalsContact O-CA 3.28Å; E207-W218 WeakPolarHBondContact O-CA 3.25Å; S208-W218 WeakPolarHBondContact OG-CH2 3.41Å; W218-D254 PolarHBondContact NE1-OD2 2.87Å; W218-V255 PolarHBondContact N-O 2.87Å; W218-L256 HydrophobicContact CB-CB 4.35Å; W218-L256 HydrophobicContact CB-CD1 3.44Å; W218-L256 VanDerWaalsContact CB-CD1 3.44Å; W218-L256 HydrophobicContact CB-CG 4.49Å; W218-L256 CarbonylContact O-C 3.58Å; W218-L256 WeakPolarHBondContact O-CA 3.48Å; W218-V257 PolarHBondContact O-N 3.06Å
219	S	98.3	Very high	97.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	-179.5	169	-158.6	0	0	0	0	110.5	L206 E207 F223 V257	L206-S219 WeakPolarHBondContact CA-O 3.35Å; E207-S219 PolarHBondContact N-O 2.88Å; E207-S219 PolarHBondContact O-N 2.77Å; E207-S219 VanDerWaalsContact O-N 3.12Å; S219-F223 WeakPolarHBondContact OG-CB 3.44Å; S219-V257 PolarHBondContact OG-O 2.82Å
220	E	97.3	Very high	97.8	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.028	25%	0.247	C	C	.	.			trans	-63.8	154.3	160.6	-62.2	-175.4	-107.7	0	0	110.2	T120 A121 G122 Y127 E222 F223 V224	T120-E220 WeakPolarHBondContact CB-OE2 3.21Å; A121-E220 WeakPolarHBondContact CA-OE2 3.13Å; A121-E220 HydrophobicContact CB-CB 4.07Å; A121-E220 VanDerWaalsContact CB-CD 3.46Å; A121-E220 HydrophobicContact CB-CG 4.38Å; A121-E220 WeakPolarHBondContact CB-OE1 3.26Å; A121-E220 WeakPolarHBondContact CB-OE2 3.4Å; A121-E220 PolarHBondContact N-OE1 2.84Å; A121-E220 PolarHBondContact N-OE2 3.17Å; G122-E220 PolarHBondContact N-OE2 2.86Å; Y127-E220 HydrophobicContact CE2-CG 4.25Å; E220-E222 PolarHBondContact O-N 3.33Å; E220-E222 VanDerWaalsContact O-N 3.09Å; E220-F223 PolarHBondContact O-N 3.28Å; E220-V224 PolarHBondContact O-N 2.79Å; E220-V224 VanDerWaalsContact O-N 3.1Å
221	M	96.8	Very high	97.8	Very high	93 Å²	93	40.4 Å²	40.4	46%	0.458	21%	0.214	S	C	.	.	H	α-helix	trans	-53.4	-35.2	-175.8	-177.6	66.1	79.1	0	0	112.7	E207 F223	E207-M221 HydrophobicContact CG-CB 4.33Å; E207-M221 HydrophobicContact CG-CE 3.56Å; E207-M221 HydrophobicContact CG-SD 4.13Å; M221-F223 PolarHBondContact O-N 3.33Å
222	E	94.9	Very high	97.8	Very high	96 Å²	96	41.8 Å²	41.8	45%	0.449	23%	0.226	S	C	.	.	H	α-helix	trans	-64.5	-21.8	-178.1	-67.2	71.4	-158.9	0	0	113.6	A121 G122 E220	A121-E222 HydrophobicContact CB-CB 4.01Å; A121-E222 HydrophobicContact CB-CG 4.16Å; G122-E222 WeakPolarHBondContact CA-OE1 3.43Å; E220-E222 PolarHBondContact O-N 3.33Å; E220-E222 VanDerWaalsContact O-N 3.09Å
223	F	95.6	Very high	97.8	Very high	46 Å²	46	43.7 Å²	43.7	20%	0.202	23%	0.228	C	C	.	.	H	α-helix	trans	-118.3	-21.3	-174.8	-68.3	-64.3	0	0	0	114.1	A121 S219 E220 M221 D225 K226 A227 L280	A121-F223 HydrophobicContact CB-CD2 3.9Å; A121-F223 HydrophobicContact CB-CE2 3.51Å; S219-F223 WeakPolarHBondContact OG-CB 3.44Å; E220-F223 PolarHBondContact O-N 3.28Å; M221-F223 PolarHBondContact O-N 3.33Å; F223-D225 VanDerWaalsContact C-N 3.34Å; F223-D225 PolarHBondContact O-N 3.36Å; F223-K226 PolarHBondContact O-N 2.85Å; F223-K226 VanDerWaalsContact O-N 3.13Å; F223-A227 WeakPolarHBondContact O-CB 3.39Å; F223-A227 PolarHBondContact O-N 2.9Å; F223-L280 HydrophobicContact CB-CD1 4.24Å; F223-L280 HydrophobicContact CD1-CD1 3.77Å; F223-L280 HydrophobicContact CG-CD1 4.35Å
224	V	97.9	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.2	-38.8	-167.6	75.8	0	0	0	0	113.8	E207 R209 V217 E220 A227 A228	E207-V224 HydrophobicContact CB-CB 4.42Å; E207-V224 HydrophobicContact CB-CG1 4.19Å; E207-V224 HydrophobicContact CB-CG2 4.37Å; R209-V224 HydrophobicContact CG-CG1 4.37Å; R209-V224 HydrophobicContact CG-CG2 3.82Å; V217-V224 HydrophobicContact CG1-CG2 4.27Å; E220-V224 PolarHBondContact O-N 2.79Å; E220-V224 VanDerWaalsContact O-N 3.1Å; V224-A227 PolarHBondContact O-N 2.9Å; V224-A228 WeakPolarHBondContact O-CB 3.4Å; V224-A228 PolarHBondContact O-N 2.78Å
225	D	98.3	Very high	97.8	Very high	96 Å²	96	37 Å²	37	51%	0.513	19%	0.19	S	C	.	.	H	α-helix	trans	-74.1	-36.3	-179.7	-64.7	-29.8	0	0	0	111.9	R209 F223 A228 S229	R209-D225 IonicContact CZ-OD1 2.8Å; R209-D225 IonicContact NE-OD1 3.86Å; R209-D225 PolarHBondContact NE-OD1 3.4Å; R209-D225 IonicContact NH2-OD1 3.91Å; R209-D225 PolarHBondContact NH2-OD1 3.03Å; F223-D225 VanDerWaalsContact C-N 3.34Å; F223-D225 PolarHBondContact O-N 3.36Å; D225-A228 PolarHBondContact O-N 3.22Å; D225-S229 PolarHBondContact O-N 2.91Å; D225-S229 VanDerWaalsContact O-N 3.16Å
226	K	97.1	Very high	97.8	Very high	129 Å²	129	40.6 Å²	40.6	56%	0.561	21%	0.212	S	C	*	.	H	α-helix	trans	-63.6	-45.6	172.3	-68.6	179.5	-178.9	173.9	0	110.4	F223 A228 S229 E230 L280	F223-K226 PolarHBondContact O-N 2.85Å; F223-K226 VanDerWaalsContact O-N 3.13Å; K226-A228 VanDerWaalsContact C-N 3.3Å; K226-A228 PolarHBondContact O-N 2.88Å; K226-S229 PolarHBondContact O-N 2.79Å; K226-E230 WeakPolarHBondContact O-CB 3.37Å; K226-E230 PolarHBondContact O-N 3.02Å; K226-L280 HydrophobicContact CB-CD1 4.31Å
227	A	97.8	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.6	-37.5	178.1	0	0	0	0	0	112.3	V217 F223 V224 S229 E230 F231 V257 L280	V217-A227 HydrophobicContact CG1-CB 4.48Å; V217-A227 HydrophobicContact CG2-CB 3.58Å; F223-A227 WeakPolarHBondContact O-CB 3.39Å; F223-A227 PolarHBondContact O-N 2.9Å; V224-A227 PolarHBondContact O-N 2.9Å; A227-S229 PolarHBondContact O-N 3.2Å; A227-E230 PolarHBondContact O-N 3.38Å; A227-F231 HydrophobicContact CB-CD2 4.32Å; A227-F231 HydrophobicContact CB-CE2 4.25Å; A227-F231 VanDerWaalsContact O-CD2 3.32Å; A227-F231 WeakPolarHBondContact O-CD2 3.5Å; A227-F231 PolarHBondContact O-N 2.85Å; A227-V257 HydrophobicContact CB-CB 4.5Å; A227-V257 HydrophobicContact CB-CG2 3.64Å; A227-L280 HydrophobicContact CB-CD2 3.93Å
228	A	98.4	Very high	97.8	Very high	22 Å²	22	38.2 Å²	38.2	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-63.3	-41.4	175.6	0	0	0	0	0	112.2	R209 I211 V217 V224 D225 K226 S232	R209-A228 HydrophobicContact CB-CB 3.94Å; R209-A228 HydrophobicContact CG-CB 4.26Å; I211-A228 HydrophobicContact CG2-CB 3.96Å; V217-A228 HydrophobicContact CG1-CB 3.82Å; V224-A228 WeakPolarHBondContact O-CB 3.4Å; V224-A228 PolarHBondContact O-N 2.78Å; D225-A228 PolarHBondContact O-N 3.22Å; K226-A228 VanDerWaalsContact C-N 3.3Å; K226-A228 PolarHBondContact O-N 2.88Å; A228-S232 PolarHBondContact O-N 2.99Å
229	S	98.1	Very high	97.8	Very high	75 Å²	75	43.2 Å²	43.2	52%	0.524	23%	0.225	S	C	.	.	H	α-helix	trans	-66.4	-48.3	174.2	-176.8	0	0	0	0	111.8	D225 K226 A227 F231 S232	D225-S229 PolarHBondContact O-N 2.91Å; D225-S229 VanDerWaalsContact O-N 3.16Å; K226-S229 PolarHBondContact O-N 2.79Å; A227-S229 PolarHBondContact O-N 3.2Å; S229-F231 VanDerWaalsContact C-N 3.34Å; S229-F231 PolarHBondContact O-N 3.23Å; S229-S232 WeakPolarHBondContact O-CB 3.21Å; S229-S232 PolarHBondContact O-N 3Å; S229-S232 PolarHBondContact O-OG 2.96Å
230	E	98.1	Very high	97.8	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.019	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-41.8	-176.3	-156.1	78	-149.8	0	0	112.1	K226 A227 L279 L280 A281 G282 K284	K226-E230 WeakPolarHBondContact O-CB 3.37Å; K226-E230 PolarHBondContact O-N 3.02Å; A227-E230 PolarHBondContact O-N 3.38Å; E230-L279 WeakPolarHBondContact CG-O 3.47Å; E230-L280 HydrophobicContact CB-CD2 3.82Å; E230-L280 HydrophobicContact CG-CD2 4.07Å; E230-A281 PolarHBondContact OE1-N 3.12Å; E230-A281 PolarHBondContact OE2-N 3.23Å; E230-G282 PolarHBondContact OE1-N 3.5Å; E230-G282 VanDerWaalsContact OE2-CA 3.26Å; E230-G282 WeakPolarHBondContact OE2-CA 3.5Å; E230-G282 PolarHBondContact OE2-N 3.46Å; E230-K284 WeakPolarHBondContact OE1-CA 3.4Å; E230-K284 PolarHBondContact OE1-N 2.87Å
231	F	98.2	Very high	97.9	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.009	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	21.9	-174.7	-51.1	-41.9	0	0	0	113.6	I211 V217 A227 S229 E233 T234 V255 V257 L279 L280 I290	I211-F231 HydrophobicContact CD1-CB 4.22Å; V217-F231 HydrophobicContact CG2-CD2 4.13Å; A227-F231 HydrophobicContact CB-CD2 4.32Å; A227-F231 HydrophobicContact CB-CE2 4.25Å; A227-F231 VanDerWaalsContact O-CD2 3.32Å; A227-F231 WeakPolarHBondContact O-CD2 3.5Å; A227-F231 PolarHBondContact O-N 2.85Å; S229-F231 VanDerWaalsContact C-N 3.34Å; S229-F231 PolarHBondContact O-N 3.23Å; F231-E233 PolarHBondContact O-N 3.12Å; F231-T234 WeakPolarHBondContact O-CB 3.36Å; F231-T234 PolarHBondContact O-N 3.1Å; F231-T234 PolarHBondContact O-OG1 3.07Å; F231-V255 HydrophobicContact CD2-CG1 3.96Å; F231-V255 HydrophobicContact CE2-CG1 4.03Å; F231-V257 HydrophobicContact CD2-CG2 4.42Å; F231-V257 HydrophobicContact CE2-CG2 3.53Å; F231-V257 HydrophobicContact CZ-CG2 4.36Å; F231-L279 HydrophobicContact CE1-CB 4.1Å; F231-L279 HydrophobicContact CE1-CD1 4.31Å; F231-L279 HydrophobicContact CZ-CB 3.98Å; F231-L279 HydrophobicContact CZ-CD1 4.21Å; F231-L280 HydrophobicContact CE2-CD2 4.16Å; F231-L280 HydrophobicContact CZ-CD2 4.05Å; F231-I290 HydrophobicContact CD1-CD1 3.98Å; F231-I290 HydrophobicContact CD1-CG1 3.58Å; F231-I290 HydrophobicContact CE1-CD1 3.89Å; F231-I290 HydrophobicContact CE1-CG1 3.78Å; F231-I290 HydrophobicContact CG-CD1 4.37Å; F231-I290 HydrophobicContact CG-CG1 4.24Å; F231-I290 HydrophobicContact CZ-CD1 4.2Å
232	S	97.7	Very high	98	Very high	51 Å²	51	41.6 Å²	41.6	36%	0.357	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-13.1	177.9	50.9	0	0	0	0	114.6	A228 S229 K284	A228-S232 PolarHBondContact O-N 2.99Å; S229-S232 WeakPolarHBondContact O-CB 3.21Å; S229-S232 PolarHBondContact O-N 3Å; S229-S232 PolarHBondContact O-OG 2.96Å; S232-K284 VanDerWaalsContact OG-CE 3.24Å; S232-K284 WeakPolarHBondContact OG-CE 3.42Å; S232-K284 PolarHBondContact OG-NZ 3.01Å
233	E	97.6	Very high	98.2	Very high	63 Å²	63	41.9 Å²	41.9	29%	0.294	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	0.4	179.6	-66.1	177	152.2	0	0	113.9	F231 E235 T236 M237 K284	F231-E233 PolarHBondContact O-N 3.12Å; E233-E235 VanDerWaalsContact C-N 3.31Å; E233-E235 PolarHBondContact O-N 3.19Å; E233-T236 WeakPolarHBondContact O-CB 3.08Å; E233-T236 PolarHBondContact O-N 3.48Å; E233-M237 HydrophobicContact CB-CE 4.17Å; E233-M237 PolarHBondContact O-N 3.18Å; E233-K284 HydrophobicContact CG-CD 4.11Å; E233-K284 IonicContact OE1-NZ 2.93Å
234	T	98.6	Very high	98.3	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-52.4	-43.8	-177.9	-69.7	0	0	0	0	113.1	I211 F231 T236 M237 L238 Y253 I294	I211-T234 HydrophobicContact CD1-CG2 4.36Å; F231-T234 WeakPolarHBondContact O-CB 3.36Å; F231-T234 PolarHBondContact O-N 3.1Å; F231-T234 PolarHBondContact O-OG1 3.07Å; T234-T236 PolarHBondContact O-N 3.36Å; T234-M237 PolarHBondContact O-N 3.19Å; T234-L238 HydrophobicContact CG2-CD1 3.88Å; T234-L238 HydrophobicContact CG2-CG 4.42Å; T234-L238 WeakPolarHBondContact O-CG 3.42Å; T234-L238 PolarHBondContact O-N 2.98Å; T234-Y253 HydrophobicContact CG2-CD1 3.53Å; T234-Y253 HydrophobicContact CG2-CE1 3.72Å; T234-I294 HydrophobicContact CG2-CD1 4.43Å
235	E	98.6	Very high	98.3	Very high	23 Å²	23	40.3 Å²	40.3	11%	0.107	22%	0.216	C	C	.	.	H	α-helix	trans	-68.1	-34.9	179.8	174.3	59.5	-170	0	0	112.8	P213 R214 E233 M237 L238 K239	P213-E235 HydrophobicContact CG-CG 3.95Å; R214-E235 IonicContact CZ-OE2 2.82Å; R214-E235 IonicContact NE-OE2 2.78Å; R214-E235 PolarHBondContact NE-OE2 3.34Å; R214-E235 IonicContact NH2-OE1 2.98Å; R214-E235 IonicContact NH2-OE2 3.36Å; R214-E235 PolarHBondContact NH2-OE2 3.37Å; E233-E235 VanDerWaalsContact C-N 3.31Å; E233-E235 PolarHBondContact O-N 3.19Å; E235-M237 VanDerWaalsContact C-N 3.35Å; E235-L238 PolarHBondContact O-N 3.4Å; E235-K239 HydrophobicContact CG-CD 4.48Å; E235-K239 PolarHBondContact O-N 3.23Å; E235-K239 WeakPolarHBondContact OE1-CE 3.45Å; E235-K239 IonicContact OE1-NZ 2.76Å; E235-K239 PolarHBondContact OE1-NZ 2.88Å
236	T	98.5	Very high	98.3	Very high	78 Å²	78	36 Å²	36	48%	0.479	19%	0.194	S	C	.	.	H	α-helix	trans	-65	-42.7	174.7	-58.6	0	0	0	0	110.4	E233 T234 T240 M329	E233-T236 WeakPolarHBondContact O-CB 3.08Å; E233-T236 PolarHBondContact O-N 3.48Å; T234-T236 PolarHBondContact O-N 3.36Å; T236-T240 WeakPolarHBondContact O-CB 3.05Å; T236-T240 PolarHBondContact O-N 3.27Å; T236-T240 PolarHBondContact O-OG1 3.09Å; T236-M329 HydrophobicContact CG2-CE 4.35Å
237	M	98.6	Very high	98.4	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-43.7	175	-65.8	174.8	-175.4	0	0	111.7	E233 T234 E235 T240 A241 S287 I290 A291 I294 I325 M329	E233-M237 HydrophobicContact CB-CE 4.17Å; E233-M237 PolarHBondContact O-N 3.18Å; T234-M237 PolarHBondContact O-N 3.19Å; E235-M237 VanDerWaalsContact C-N 3.35Å; M237-T240 WeakPolarHBondContact O-CB 3.19Å; M237-T240 PolarHBondContact O-N 2.67Å; M237-A241 WeakPolarHBondContact O-CB 3.14Å; M237-A241 PolarHBondContact O-N 2.69Å; M237-S287 WeakPolarHBondContact CE-OG 3.27Å; M237-I290 HydrophobicContact SD-CB 4.23Å; M237-I290 HydrophobicContact SD-CG2 4.28Å; M237-A291 HydrophobicContact SD-CB 4.06Å; M237-I294 HydrophobicContact CB-CD1 3.38Å; M237-I294 HydrophobicContact CG-CD1 4.43Å; M237-I294 HydrophobicContact SD-CD1 4.28Å; M237-I325 HydrophobicContact CB-CG2 4.45Å; M237-I325 HydrophobicContact CG-CG2 4.42Å; M237-M329 HydrophobicContact CE-CE 4.2Å; M237-M329 HydrophobicContact CG-CE 4.09Å; M237-M329 HydrophobicContact CG-SD 3.7Å
238	L	98.8	Very high	98.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-48	177.5	-78.5	164.4	0	0	0	112.1	T234 E235 T240 A241 E242 Y248 Y253 I294	T234-L238 HydrophobicContact CG2-CD1 3.88Å; T234-L238 HydrophobicContact CG2-CG 4.42Å; T234-L238 WeakPolarHBondContact O-CG 3.42Å; T234-L238 PolarHBondContact O-N 2.98Å; E235-L238 PolarHBondContact O-N 3.4Å; L238-T240 VanDerWaalsContact C-N 3.32Å; L238-T240 PolarHBondContact O-N 3.24Å; L238-A241 PolarHBondContact O-N 3.3Å; L238-E242 WeakPolarHBondContact O-CG 3.41Å; L238-E242 PolarHBondContact O-N 3.13Å; L238-Y248 HydrophobicContact CD2-CD2 4.2Å; L238-Y248 HydrophobicContact CD2-CE2 4.14Å; L238-Y253 HydrophobicContact CD1-CD1 3.96Å; L238-Y253 HydrophobicContact CD1-CG 4Å; L238-Y253 HydrophobicContact CD2-CD1 4.28Å; L238-Y253 HydrophobicContact CD2-CD2 4.05Å; L238-Y253 HydrophobicContact CD2-CG 3.85Å; L238-Y253 HydrophobicContact CG-CD1 4.39Å; L238-Y253 HydrophobicContact CG-CG 4.39Å; L238-I294 HydrophobicContact CD2-CD1 4.3Å; L238-I294 HydrophobicContact CD2-CG1 4.02Å; L238-I294 HydrophobicContact CD2-CG2 3.97Å; L238-I294 HydrophobicContact CG-CD1 3.97Å; L238-I294 HydrophobicContact CG-CG1 4.24Å
239	K	98.8	Very high	98.4	Very high	116 Å²	116	36.8 Å²	36.8	50%	0.504	21%	0.207	S	C	.	.	H	α-helix	trans	-60.8	-42.7	176.1	-78.4	174.7	167.2	155.8	0	112.1	E235 A241 E242 D243	E235-K239 HydrophobicContact CG-CD 4.48Å; E235-K239 PolarHBondContact O-N 3.23Å; E235-K239 WeakPolarHBondContact OE1-CE 3.45Å; E235-K239 IonicContact OE1-NZ 2.76Å; E235-K239 PolarHBondContact OE1-NZ 2.88Å; K239-A241 VanDerWaalsContact C-N 3.33Å; K239-A241 PolarHBondContact O-N 3.03Å; K239-E242 PolarHBondContact O-N 3.22Å; K239-D243 PolarHBondContact O-N 3.18Å
240	T	98.8	Very high	98.5	Very high	19 Å²	19	33.5 Å²	33.5	12%	0.117	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-43.3	177	-57.9	0	0	0	0	111.1	T236 M237 L238 D243 L244 I325 R328	T236-T240 WeakPolarHBondContact O-CB 3.05Å; T236-T240 PolarHBondContact O-N 3.27Å; T236-T240 PolarHBondContact O-OG1 3.09Å; M237-T240 WeakPolarHBondContact O-CB 3.19Å; M237-T240 PolarHBondContact O-N 2.67Å; L238-T240 VanDerWaalsContact C-N 3.32Å; L238-T240 PolarHBondContact O-N 3.24Å; T240-D243 PolarHBondContact O-N 2.66Å; T240-L244 HydrophobicContact CG2-CD1 4.17Å; T240-L244 WeakPolarHBondContact O-CD1 3.15Å; T240-L244 VanDerWaalsContact O-CG 3.29Å; T240-L244 WeakPolarHBondContact O-CG 3.3Å; T240-L244 PolarHBondContact O-N 3.18Å; T240-I325 HydrophobicContact CG2-CB 4.32Å; T240-I325 HydrophobicContact CG2-CG1 4.27Å; T240-I325 HydrophobicContact CG2-CG2 4.06Å; T240-R328 HydrophobicContact CG2-CB 3.56Å; T240-R328 HydrophobicContact CG2-CG 4.07Å
241	A	98.8	Very high	98.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-42	176	0	0	0	0	0	111.8	M237 L238 K239 D243 L244 A245 I294 W298 I325	M237-A241 WeakPolarHBondContact O-CB 3.14Å; M237-A241 PolarHBondContact O-N 2.69Å; L238-A241 PolarHBondContact O-N 3.3Å; K239-A241 VanDerWaalsContact C-N 3.33Å; K239-A241 PolarHBondContact O-N 3.03Å; A241-D243 PolarHBondContact O-N 3.29Å; A241-L244 PolarHBondContact O-N 2.79Å; A241-A245 WeakPolarHBondContact O-CB 3.33Å; A241-A245 PolarHBondContact O-N 3.31Å; A241-I294 HydrophobicContact CB-CG2 3.57Å; A241-W298 HydrophobicContact CB-CE3 4.46Å; A241-W298 HydrophobicContact CB-CH2 3.72Å; A241-W298 HydrophobicContact CB-CZ3 3.55Å; A241-I325 HydrophobicContact CB-CD1 3.75Å; A241-I325 HydrophobicContact CB-CG1 4.29Å
242	E	98.8	Very high	98.4	Very high	46 Å²	46	37.4 Å²	37.4	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-41.6	177.3	-78.8	178.1	132.1	0	0	112.8	R214 L238 K239 L244 G246 Y248 W298	R214-E242 IonicContact CZ-OE1 3.22Å; R214-E242 IonicContact CZ-OE2 3.53Å; R214-E242 VanDerWaalsContact NH1-CD 3.29Å; R214-E242 IonicContact NH1-OE1 2.66Å; R214-E242 PolarHBondContact NH1-OE1 3.09Å; R214-E242 IonicContact NH1-OE2 3.83Å; R214-E242 PolarHBondContact NH1-OE2 2.96Å; R214-E242 IonicContact NH2-OE1 2.77Å; R214-E242 IonicContact NH2-OE2 3.53Å; R214-E242 PolarHBondContact NH2-OE2 2.79Å; L238-E242 WeakPolarHBondContact O-CG 3.41Å; L238-E242 PolarHBondContact O-N 3.13Å; K239-E242 PolarHBondContact O-N 3.22Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 2.71Å; E242-G246 VanDerWaalsContact CA-O 3.26Å; E242-G246 WeakPolarHBondContact CA-O 3.37Å; E242-G246 CarbonylContact O-C 3.42Å; E242-G246 VanDerWaalsContact O-CA 3.26Å; E242-G246 WeakPolarHBondContact O-CA 3.49Å; E242-G246 PolarHBondContact O-N 3.49Å; E242-Y248 WeakPolarHBondContact OE1-CB 3.24Å; E242-Y248 PolarHBondContact OE1-N 2.98Å; E242-W298 HydrophobicContact CG-CH2 4.01Å; E242-W298 HydrophobicContact CG-CZ2 3.79Å
243	D	98.5	Very high	98.4	Very high	102 Å²	102	35.1 Å²	35.1	55%	0.545	20%	0.199	S	C	.	.	H	α-helix	trans	-59.9	-44.5	175.9	-78.4	-9.3	0	0	0	111.2	K239 T240 A241 R328 K405	K239-D243 PolarHBondContact O-N 3.18Å; T240-D243 PolarHBondContact O-N 2.66Å; A241-D243 PolarHBondContact O-N 3.29Å; D243-R328 IonicContact OD2-NH2 3.76Å; D243-K405 PolarHBondContact O-NZ 3.45Å
244	L	98.5	Very high	98.5	Very high	12 Å²	12	32.3 Å²	32.3	6%	0.063	19%	0.186	C	C	.	.	H	α-helix	trans	-71	-53.7	-179.1	-69.3	169.2	0	0	0	111.8	T240 A241 E242 L321 M324 I325 R328 M401 K405	T240-L244 HydrophobicContact CG2-CD1 4.17Å; T240-L244 WeakPolarHBondContact O-CD1 3.15Å; T240-L244 VanDerWaalsContact O-CG 3.29Å; T240-L244 WeakPolarHBondContact O-CG 3.3Å; T240-L244 PolarHBondContact O-N 3.18Å; A241-L244 PolarHBondContact O-N 2.79Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 2.71Å; L244-L321 HydrophobicContact CB-CD1 3.86Å; L244-L321 HydrophobicContact CD1-CD1 4Å; L244-M324 HydrophobicContact CD1-CB 4.09Å; L244-I325 HydrophobicContact CD1-CG1 4Å; L244-R328 HydrophobicContact CD1-CG 4.35Å; L244-R328 HydrophobicContact CD2-CG 4.44Å; L244-M401 HydrophobicContact CB-CE 4.01Å; L244-M401 HydrophobicContact CB-SD 4.39Å; L244-M401 HydrophobicContact CD2-CG 3.97Å; L244-M401 HydrophobicContact CD2-SD 4.29Å; L244-M401 WeakPolarHBondContact O-CE 3.28Å; L244-K405 WeakPolarHBondContact O-CD 3.38Å
245	A	98.3	Very high	98.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-100.7	-17.8	-164.8	0	0	0	0	0	114.5	A241 W298 L321 I408	A241-A245 WeakPolarHBondContact O-CB 3.33Å; A241-A245 PolarHBondContact O-N 3.31Å; A245-W298 HydrophobicContact CB-CB 4.26Å; A245-W298 HydrophobicContact CB-CD2 3.7Å; A245-W298 HydrophobicContact CB-CE3 4.28Å; A245-W298 HydrophobicContact CB-CG 3.68Å; A245-L321 HydrophobicContact CB-CD1 4.44Å; A245-L321 HydrophobicContact CB-CD2 3.88Å; A245-I408 HydrophobicContact CB-CD1 3.89Å
246	G	98.3	Very high	98.5	Very high	6 Å²	6	31.1 Å²	31.1	6%	0.062	18%	0.18	C	C	.	.			trans	106.2	-175.2	-174	0	0	0	0	0	113.1	E242 W298	E242-G246 VanDerWaalsContact CA-O 3.26Å; E242-G246 WeakPolarHBondContact CA-O 3.37Å; E242-G246 CarbonylContact O-C 3.42Å; E242-G246 VanDerWaalsContact O-CA 3.26Å; E242-G246 WeakPolarHBondContact O-CA 3.49Å; E242-G246 PolarHBondContact O-N 3.49Å; G246-W298 WeakPolarHBondContact O-CZ2 3.16Å; G246-W298 PolarHBondContact O-NE1 3.48Å; G246-W298 VanDerWaalsContact O-NE1 3.1Å
247	P	98.4	Very high	98.5	Very high	100 Å²	100	27.4 Å²	27.4	65%	0.649	16%	0.158	S	C	*	.			trans	-59.6	143.3	-170.3	-24.2	34	0	0	0	114	W298	P247-W298 PolarHBondContact O-NE1 2.7Å
248	Y	98.8	Very high	98.3	Very high	20 Å²	20	27.2 Å²	27.2	8%	0.078	16%	0.157	C	C	.	.			trans	-80.2	120.9	168.7	-175	-97.5	0	0	0	110.4	L238 E242 W250 Q252 Y253 S297 W298	L238-Y248 HydrophobicContact CD2-CD2 4.2Å; L238-Y248 HydrophobicContact CD2-CE2 4.14Å; E242-Y248 WeakPolarHBondContact OE1-CB 3.24Å; E242-Y248 PolarHBondContact OE1-N 2.98Å; Y248-W250 HydrophobicContact CD1-CB 4.47Å; Y248-W250 HydrophobicContact CE1-CB 3.67Å; Y248-W250 HydrophobicContact CE1-CG 4.39Å; Y248-W250 HydrophobicContact CE2-CB 4.41Å; Y248-W250 AromaticContact CE2-CD1 3.62Å; Y248-W250 HydrophobicContact CE2-CG 4.37Å; Y248-W250 AromaticContact CZ-CD1 3.72Å; Y248-W250 WeakPolarHBondContact OH-CB 3.49Å; Y248-Q252 PolarHBondContact OH-O 3.02Å; Y248-Y253 HydrophobicContact CE2-CD2 4.1Å; Y248-Y253 WeakPolarHBondContact OH-CD2 3.34Å; Y248-S297 WeakPolarHBondContact CE2-OG 3.31Å; Y248-W298 AromaticContact CD2-CH2 3.85Å; Y248-W298 HydrophobicContact CD2-CH2 3.85Å; Y248-W298 HydrophobicContact CD2-CZ2 4.16Å; Y248-W298 HydrophobicContact CD2-CZ3 4.42Å
249	V	98.6	Very high	97.9	Very high	47 Å²	47	27.2 Å²	27.2	29%	0.285	16%	0.157	S	C	.	.			trans	-102.9	-2.3	-169	-59.5	0	0	0	0	115.1	L302	V249-L302 HydrophobicContact CG2-CD1 4.12Å
250	W	98.6	Very high	97.1	Very high	7 Å²	7	23.1 Å²	23.1	3%	0.027	14%	0.142	C	C	.	.	S	Bend	trans	-95.5	1.7	-168.8	-48.4	93.1	0	0	0	114.3	V192 M194 Y248 Q252 P270 C271 S297 N301 L302	V192-W250 HydrophobicContact CB-CE3 3.69Å; V192-W250 HydrophobicContact CB-CH2 4.25Å; V192-W250 HydrophobicContact CB-CZ3 3.51Å; V192-W250 HydrophobicContact CG1-CE3 3.87Å; V192-W250 HydrophobicContact CG1-CH2 3.59Å; V192-W250 HydrophobicContact CG1-CZ2 4.24Å; V192-W250 HydrophobicContact CG1-CZ3 3.38Å; V192-W250 HydrophobicContact CG2-CE3 4.11Å; V192-W250 HydrophobicContact CG2-CZ3 4.41Å; M194-W250 HydrophobicContact CB-CZ3 4.47Å; Y248-W250 HydrophobicContact CD1-CB 4.47Å; Y248-W250 HydrophobicContact CE1-CB 3.67Å; Y248-W250 HydrophobicContact CE1-CG 4.39Å; Y248-W250 HydrophobicContact CE2-CB 4.41Å; Y248-W250 AromaticContact CE2-CD1 3.62Å; Y248-W250 HydrophobicContact CE2-CG 4.37Å; Y248-W250 AromaticContact CZ-CD1 3.72Å; Y248-W250 WeakPolarHBondContact OH-CB 3.49Å; W250-Q252 PolarHBondContact O-N 3.1Å; W250-Q252 VanDerWaalsContact O-N 3.12Å; W250-P270 HydrophobicContact CD2-CB 4.1Å; W250-P270 HydrophobicContact CE3-CB 3.6Å; W250-P270 HydrophobicContact CE3-CG 4.27Å; W250-P270 HydrophobicContact CH2-CG 4.34Å; W250-P270 HydrophobicContact CZ3-CB 3.81Å; W250-P270 HydrophobicContact CZ3-CG 4.01Å; W250-C271 PolarHBondContact O-SG 2.81Å; W250-S297 PolarHBondContact NE1-O 3.1Å; W250-N301 HydrophobicContact CH2-CB 3.87Å; W250-N301 HydrophobicContact CZ2-CB 3.39Å; W250-L302 HydrophobicContact CZ2-CB 4.36Å
251	G	96.6	Very high	96.2	Very high	52 Å²	52	23 Å²	23	54%	0.536	14%	0.142	S	C	.	.	S	Bend	trans	79.2	-88.4	-178.4	0	0	0	0	0	112.2
252	Q	97.7	Very high	95.4	Very high	35 Å²	35	23 Å²	23	16%	0.164	14%	0.142	C	C	.	.			trans	-92.9	153.9	178.9	64.8	172	73.1	0	0	111.7	V170 R214 Y248 W250 D254 C271	V170-Q252 HydrophobicContact CG2-CG 4.41Å; R214-Q252 WeakPolarHBondContact O-CA 3.17Å; Y248-Q252 PolarHBondContact OH-O 3.02Å; W250-Q252 PolarHBondContact O-N 3.1Å; W250-Q252 VanDerWaalsContact O-N 3.12Å; Q252-D254 PolarHBondContact NE2-OD2 3.41Å; Q252-C271 HydrophobicContact CG-CB 3.75Å; Q252-C271 PolarHBondContact NE2-O 3.13Å; Q252-C271 WeakPolarHBondContact O-CA 3.26Å
253	Y	98.8	Very high	94.4	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.012	13%	0.132	C	C	.	.			trans	-127.9	90.4	166.9	-176.1	-89.1	0	0	0	108.4	R214 S215 T234 L238 Y248 V255 T273 I290 E293 I294	R214-Y253 PolarHBondContact O-N 3.41Å; S215-Y253 WeakPolarHBondContact CA-O 3.43Å; S215-Y253 WeakPolarHBondContact CB-O 3.33Å; S215-Y253 PolarHBondContact OG-O 2.81Å; T234-Y253 HydrophobicContact CG2-CD1 3.53Å; T234-Y253 HydrophobicContact CG2-CE1 3.72Å; L238-Y253 HydrophobicContact CD1-CD1 3.96Å; L238-Y253 HydrophobicContact CD1-CG 4Å; L238-Y253 HydrophobicContact CD2-CD1 4.28Å; L238-Y253 HydrophobicContact CD2-CD2 4.05Å; L238-Y253 HydrophobicContact CD2-CG 3.85Å; L238-Y253 HydrophobicContact CG-CD1 4.39Å; L238-Y253 HydrophobicContact CG-CG 4.39Å; Y248-Y253 HydrophobicContact CE2-CD2 4.1Å; Y248-Y253 WeakPolarHBondContact OH-CD2 3.34Å; Y253-V255 HydrophobicContact CD1-CG2 4.42Å; Y253-V255 HydrophobicContact CE1-CG2 3.82Å; Y253-T273 PolarHBondContact OH-OG1 3.14Å; Y253-I290 HydrophobicContact CE1-CG2 4.3Å; Y253-E293 WeakPolarHBondContact OH-CB 3.44Å; Y253-I294 HydrophobicContact CD1-CG1 4.34Å; Y253-I294 HydrophobicContact CD2-CG1 4.44Å; Y253-I294 HydrophobicContact CE1-CD1 4.2Å; Y253-I294 HydrophobicContact CE1-CG1 3.63Å; Y253-I294 HydrophobicContact CE2-CB 4.46Å; Y253-I294 HydrophobicContact CE2-CG1 3.77Å; Y253-I294 WeakPolarHBondContact OH-CG1 3.44Å; Y253-I294 PolarHBondContact OH-N 2.95Å
254	D	98.8	Very high	93.7	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.021	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	154.6	174.9	-72.8	-1.5	0	0	0	110.7	R216 W218 Q252 C271 L272 T273	R216-D254 PolarHBondContact N-OD1 2.85Å; R216-D254 CarbonylContact O-C 3.55Å; R216-D254 WeakPolarHBondContact O-CA 3.48Å; R216-D254 WeakPolarHBondContact O-CB 3.46Å; W218-D254 PolarHBondContact NE1-OD2 2.87Å; Q252-D254 PolarHBondContact NE2-OD2 3.41Å; D254-C271 WeakPolarHBondContact CB-O 3.04Å; D254-C271 PolarHBondContact N-O 3.39Å; D254-L272 HydrophobicContact CB-CD1 3.67Å; D254-L272 CarbonylContact O-C 3.52Å; D254-L272 WeakPolarHBondContact O-CA 3.32Å; D254-T273 PolarHBondContact O-N 2.88Å
255	V	98.7	Very high	93.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.9	173.9	-179.1	0	0	0	0	108.8	R216 V217 W218 F231 Y253 T273 A275 I290	R216-V255 PolarHBondContact O-N 2.85Å; V217-V255 CarbonylContact C-O 3.47Å; V217-V255 VanDerWaalsContact CA-O 3.23Å; V217-V255 WeakPolarHBondContact CA-O 3.47Å; V217-V255 HydrophobicContact CG2-CB 4.44Å; W218-V255 PolarHBondContact N-O 2.87Å; F231-V255 HydrophobicContact CD2-CG1 3.96Å; F231-V255 HydrophobicContact CE2-CG1 4.03Å; Y253-V255 HydrophobicContact CD1-CG2 4.42Å; Y253-V255 HydrophobicContact CE1-CG2 3.82Å; V255-T273 CarbonylContact C-O 2.99Å; V255-T273 WeakPolarHBondContact CA-O 3.42Å; V255-A275 HydrophobicContact CG1-CB 3.9Å; V255-I290 HydrophobicContact CG1-CD1 4.07Å; V255-I290 HydrophobicContact CG2-CD1 4.45Å
256	L	98.7	Very high	92.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114.6	173.9	175.9	69.2	0	0	0	110	V166 V202 L206 W218 L258 L272 T273 F274 A275	V166-L256 HydrophobicContact CG2-CD2 4.22Å; V202-L256 HydrophobicContact CB-CD2 3.85Å; V202-L256 HydrophobicContact CG1-CD2 3.95Å; V202-L256 HydrophobicContact CG2-CD2 3.31Å; L206-L256 HydrophobicContact CD1-CD1 4.36Å; L206-L256 HydrophobicContact CD2-CD1 3.95Å; W218-L256 HydrophobicContact CB-CB 4.35Å; W218-L256 HydrophobicContact CB-CD1 3.44Å; W218-L256 VanDerWaalsContact CB-CD1 3.44Å; W218-L256 HydrophobicContact CB-CG 4.49Å; W218-L256 CarbonylContact O-C 3.58Å; W218-L256 WeakPolarHBondContact O-CA 3.48Å; L256-L258 HydrophobicContact CD2-CD2 3.77Å; L256-L258 HydrophobicContact CD2-CG 4.43Å; L256-L258 HydrophobicContact CG-CD2 4.22Å; L256-L258 PolarHBondContact O-N 2.86Å; L256-L272 HydrophobicContact CB-CD1 4.05Å; L256-L272 HydrophobicContact CB-CG 4.24Å; L256-T273 PolarHBondContact N-O 2.84Å; L256-F274 HydrophobicContact CB-CD1 3.99Å; L256-F274 HydrophobicContact CB-CE1 4.41Å; L256-F274 HydrophobicContact CD2-CD1 3.76Å; L256-F274 HydrophobicContact CD2-CE1 3.56Å; L256-F274 HydrophobicContact CD2-CZ 4.16Å; L256-F274 HydrophobicContact CG-CD1 4.38Å; L256-F274 CarbonylContact O-C 3.53Å; L256-F274 WeakPolarHBondContact O-CA 3.44Å; L256-A275 PolarHBondContact O-N 3.18Å
257	V	98.1	Very high	92.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	109.4	169	-178.8	0	0	0	0	109	V217 W218 S219 A227 F231 A275 P277 L280	V217-V257 HydrophobicContact CG2-CG2 4.33Å; W218-V257 PolarHBondContact O-N 3.06Å; S219-V257 PolarHBondContact OG-O 2.82Å; A227-V257 HydrophobicContact CB-CB 4.5Å; A227-V257 HydrophobicContact CB-CG2 3.64Å; F231-V257 HydrophobicContact CD2-CG2 4.42Å; F231-V257 HydrophobicContact CE2-CG2 3.53Å; F231-V257 HydrophobicContact CZ-CG2 4.36Å; V257-A275 WeakPolarHBondContact CA-O 3.41Å; V257-P277 HydrophobicContact CG1-CB 3.73Å; V257-L280 HydrophobicContact CG1-CD1 4.35Å
258	L	95.1	Very high	92.8	Very high	1 Å²	1	15 Å²	15	1%	0.005	10%	0.097	C	C	.	.			trans	-74.3	166.9	179.7	-75.7	177.5	0	0	0	112.3	Y127 F129 V202 L256 F262 F274 A275 P277	Y127-L258 HydrophobicContact CE1-CD2 3.97Å; Y127-L258 WeakPolarHBondContact OH-CD2 3.47Å; F129-L258 HydrophobicContact CB-CD2 3.82Å; F129-L258 HydrophobicContact CD1-CD2 4.28Å; F129-L258 HydrophobicContact CD2-CD1 4.15Å; F129-L258 HydrophobicContact CE2-CD1 4.41Å; F129-L258 HydrophobicContact CG-CD1 4.33Å; F129-L258 HydrophobicContact CG-CD2 4.01Å; V202-L258 HydrophobicContact CG2-CD2 4.18Å; L256-L258 HydrophobicContact CD2-CD2 3.77Å; L256-L258 HydrophobicContact CD2-CG 4.43Å; L256-L258 HydrophobicContact CG-CD2 4.22Å; L256-L258 PolarHBondContact O-N 2.86Å; L258-F262 HydrophobicContact CB-CB 3.78Å; L258-F262 HydrophobicContact CB-CG 4.05Å; L258-F262 HydrophobicContact CD1-CB 3.95Å; L258-F262 HydrophobicContact CD1-CD1 3.95Å; L258-F262 HydrophobicContact CD1-CD2 3.13Å; L258-F262 HydrophobicContact CD1-CE1 4.21Å; L258-F262 HydrophobicContact CD1-CE2 3.45Å; L258-F262 VanDerWaalsContact CD1-CE2 3.45Å; L258-F262 HydrophobicContact CD1-CG 3.41Å; L258-F262 VanDerWaalsContact CD1-CG 3.41Å; L258-F262 HydrophobicContact CD1-CZ 3.98Å; L258-F262 HydrophobicContact CG-CD2 4.44Å; L258-F262 HydrophobicContact CG-CG 4.38Å; L258-F274 HydrophobicContact CD1-CB 3.88Å; L258-F274 HydrophobicContact CD1-CD2 3.56Å; L258-F274 HydrophobicContact CD1-CE2 4.3Å; L258-F274 HydrophobicContact CD1-CG 3.91Å; L258-F274 HydrophobicContact CD2-CD2 4.47Å; L258-F274 HydrophobicContact CG-CB 4.34Å; L258-F274 HydrophobicContact CG-CD2 4.3Å; L258-F274 HydrophobicContact CG-CG 4.31Å; L258-A275 PolarHBondContact N-O 3.3Å; L258-P277 VanDerWaalsContact O-CD 3.26Å; L258-P277 WeakPolarHBondContact O-CD 3.21Å; L258-P277 WeakPolarHBondContact O-CG 3.35Å
259	P	90.1	Very high	92.8	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.006	9%	0.094	C	C	.	.			trans	-59.3	159.4	171.8	-26	37.2	0	0	0	112.4	L115 Y127 S261 F262	L115-P259 HydrophobicContact CD1-CB 3.78Å; L115-P259 HydrophobicContact CD1-CG 3.74Å; Y127-P259 HydrophobicContact CD1-CG 3.85Å; Y127-P259 HydrophobicContact CD2-CG 3.99Å; Y127-P259 HydrophobicContact CE1-CG 3.77Å; Y127-P259 HydrophobicContact CE2-CG 3.94Å; Y127-P259 HydrophobicContact CG-CG 3.96Å; P259-S261 PolarHBondContact O-N 3.45Å; P259-F262 PolarHBondContact O-N 3.18Å
260	P	82.3	Confident	92.8	Very high	30 Å²	30	12.1 Å²	12.1	20%	0.195	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.1	-176.9	-27.1	35.3	0	0	0	115.3	F262 P277 E557 Q558 G559	P260-F262 PolarHBondContact O-N 2.88Å; P260-P277 HydrophobicContact CB-CG 4.31Å; P260-P277 HydrophobicContact CG-CG 4.24Å; P260-E557 WeakPolarHBondContact CB-O 3.34Å; P260-Q558 HydrophobicContact CB-CB 4.34Å; P260-Q558 CarbonylContact O-C 3.53Å; P260-Q558 WeakPolarHBondContact O-CA 3.21Å; P260-G559 PolarHBondContact O-N 3.39Å
261	S	79.1	Confident	92.8	Very high	15 Å²	15	11.8 Å²	11.8	11%	0.105	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-10	177.8	64	0	0	0	0	114.5	Q113 P259 P263	Q113-S261 PolarHBondContact OE1-OG 3.16Å; P259-S261 PolarHBondContact O-N 3.45Å; S261-P263 WeakPolarHBondContact O-CD 3.37Å
262	F	83.4	Confident	92.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.056	C	C	.	.			trans	-58.3	123.2	179.3	-178.4	-121.5	0	0	0	111.3	F129 L258 P259 P260 Y264 F274	F129-F262 HydrophobicContact CD2-CD2 4.45Å; F129-F262 AromaticContact CE2-CD2 3.77Å; F129-F262 HydrophobicContact CE2-CD2 3.77Å; F129-F262 HydrophobicContact CE2-CE2 4.35Å; F129-F262 HydrophobicContact CZ-CD2 4.09Å; L258-F262 HydrophobicContact CB-CB 3.78Å; L258-F262 HydrophobicContact CB-CG 4.05Å; L258-F262 HydrophobicContact CD1-CB 3.95Å; L258-F262 HydrophobicContact CD1-CD1 3.95Å; L258-F262 HydrophobicContact CD1-CD2 3.13Å; L258-F262 HydrophobicContact CD1-CE1 4.21Å; L258-F262 HydrophobicContact CD1-CE2 3.45Å; L258-F262 VanDerWaalsContact CD1-CE2 3.45Å; L258-F262 HydrophobicContact CD1-CG 3.41Å; L258-F262 VanDerWaalsContact CD1-CG 3.41Å; L258-F262 HydrophobicContact CD1-CZ 3.98Å; L258-F262 HydrophobicContact CG-CD2 4.44Å; L258-F262 HydrophobicContact CG-CG 4.38Å; P259-F262 PolarHBondContact O-N 3.18Å; P260-F262 PolarHBondContact O-N 2.88Å; F262-Y264 WeakPolarHBondContact CD1-O 3.12Å; F262-Y264 AromaticContact CE2-CD2 3.94Å; F262-Y264 HydrophobicContact CE2-CD2 3.94Å; F262-Y264 HydrophobicContact CZ-CD2 4.03Å; F262-Y264 HydrophobicContact CZ-CG 4.44Å; F262-Y264 PolarHBondContact O-N 2.67Å; F262-F274 HydrophobicContact CZ-CB 4.3Å
263	P	77.6	Confident	93	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.013	5%	0.048	C	C	.	.			trans	-85.1	-10.3	-165.6	32	-36.5	0	0	0	115.2	S261 G559 R560 M561 H593 T596	S261-P263 WeakPolarHBondContact O-CD 3.37Å; P263-G559 WeakPolarHBondContact CA-O 3.33Å; P263-R560 WeakPolarHBondContact O-CA 3.26Å; P263-M561 HydrophobicContact CB-CE 4.21Å; P263-M561 HydrophobicContact CB-CG 4.04Å; P263-M561 HydrophobicContact CB-SD 4.46Å; P263-M561 PolarHBondContact O-N 3.09Å; P263-H593 HydrophobicContact CB-CB 4.35Å; P263-H593 HydrophobicContact CG-CB 4.32Å; P263-T596 WeakPolarHBondContact CB-OG1 3.39Å
264	Y	84.4	Confident	93	Very high	58 Å²	58	7.8 Å²	7.8	23%	0.227	5%	0.048	C	C	.	.	S	Bend	trans	-111.1	178.3	-175.1	-53.6	-75.8	0	0	0	113.3	Q131 F262 T276 M561	Q131-Y264 HydrophobicContact CG-CD2 4.3Å; Q131-Y264 HydrophobicContact CG-CE2 3.73Å; F262-Y264 WeakPolarHBondContact CD1-O 3.12Å; F262-Y264 AromaticContact CE2-CD2 3.94Å; F262-Y264 HydrophobicContact CE2-CD2 3.94Å; F262-Y264 HydrophobicContact CZ-CD2 4.03Å; F262-Y264 HydrophobicContact CZ-CG 4.44Å; F262-Y264 PolarHBondContact O-N 2.67Å; Y264-T276 WeakPolarHBondContact O-CB 3.31Å; Y264-M561 HydrophobicContact CD1-CE 4.21Å; Y264-M561 HydrophobicContact CE1-CE 3.64Å
265	G	85.3	Confident	92.9	Very high	14 Å²	14	7.6 Å²	7.6	14%	0.144	5%	0.047	C	C	.	.	S	Bend	trans	-78.8	-57.8	173.6	0	0	0	0	0	111.9	T276	G265-T276 VanDerWaalsContact O-CG2 3.25Å; G265-T276 WeakPolarHBondContact O-CG2 3.19Å; G265-T276 PolarHBondContact O-N 2.8Å
266	G	93.2	Very high	92.6	Very high	17 Å²	17	7.6 Å²	7.6	18%	0.175	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	-179.2	171.5	0	0	0	0	0	111	F274 E293	G266-F274 CarbonylContact C-O 3.53Å; G266-F274 WeakPolarHBondContact CA-O 3.41Å; G266-E293 VanDerWaalsContact CA-OE1 3.32Å; G266-E293 WeakPolarHBondContact CA-OE1 3.04Å
267	M	97.4	Very high	92.4	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.01	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	130.5	169.6	178	68.8	-147	0	0	108.3	Q131 Q133 Y197 L198 N269 T273 F274 E293	Q131-M267 PolarHBondContact NE2-SD 2.76Å; Q133-M267 HydrophobicContact CB-CE 3.88Å; Q133-M267 HydrophobicContact CB-SD 3.9Å; Q133-M267 HydrophobicContact CG-CE 4.49Å; Y197-M267 HydrophobicContact CD2-CE 3.93Å; Y197-M267 HydrophobicContact CE2-CE 4.04Å; L198-M267 HydrophobicContact CD2-CE 3.61Å; M267-N269 WeakPolarHBondContact CG-ND2 3.45Å; M267-N269 WeakPolarHBondContact CG-OD1 3.41Å; M267-N269 PolarHBondContact O-N 3.14Å; M267-T273 WeakPolarHBondContact O-CA 3.48Å; M267-F274 HydrophobicContact CB-CB 4.2Å; M267-F274 PolarHBondContact N-O 3.35Å; M267-F274 PolarHBondContact O-N 3.05Å; M267-E293 VanDerWaalsContact C-OE2 3.31Å
268	E	98.3	Very high	92.2	Very high	7 Å²	7	9.1 Å²	9.1	3%	0.033	6%	0.057	C	C	.	.			trans	-79.6	25.2	-167.4	69	-86.7	-160	0	0	114.9	Q133 L198 P270 E293 H296 N301	Q133-E268 PolarHBondContact NE2-OE1 3.42Å; Q133-E268 VanDerWaalsContact NE2-OE1 3.13Å; L198-E268 HydrophobicContact CD2-CG 3.91Å; E268-P270 VanDerWaalsContact O-CD 3.28Å; E268-P270 WeakPolarHBondContact O-CD 3.46Å; E268-E293 WeakPolarHBondContact CA-OE2 3.25Å; E268-E293 PolarHBondContact N-OE2 2.89Å; E268-E293 VanDerWaalsContact N-OE2 3.12Å; E268-H296 HydrophobicContact CB-CB 3.29Å; E268-H296 HydrophobicContact CG-CB 3.61Å; E268-H296 IonicContact OE1-CE1 3Å; E268-N301 VanDerWaalsContact CG-OD1 3.3Å; E268-N301 WeakPolarHBondContact CG-OD1 3.37Å; E268-N301 PolarHBondContact O-ND2 2.59Å
269	N	98.8	Very high	92.3	Very high	3 Å²	3	9.1 Å²	9.1	2%	0.016	6%	0.057	C	C	.	.			trans	-44.6	112.9	178.1	-68.8	-35.8	0	0	0	110.8	A200 M267 C271 L272 T273 F274	A200-N269 HydrophobicContact CB-CB 4.06Å; A200-N269 VanDerWaalsContact CB-CG 3.44Å; A200-N269 WeakPolarHBondContact CB-ND2 3.4Å; M267-N269 WeakPolarHBondContact CG-ND2 3.45Å; M267-N269 WeakPolarHBondContact CG-OD1 3.41Å; M267-N269 PolarHBondContact O-N 3.14Å; N269-C271 PolarHBondContact O-N 3.21Å; N269-L272 VanDerWaalsContact CB-O 3.24Å; N269-L272 WeakPolarHBondContact CB-O 3.46Å; N269-L272 CarbonylContact O-C 3.52Å; N269-L272 PolarHBondContact O-N 3.32Å; N269-T273 PolarHBondContact O-N 2.72Å; N269-F274 VanDerWaalsContact ND2-CD2 3.33Å; N269-F274 WeakPolarHBondContact ND2-CD2 3.47Å; N269-F274 WeakPolarHBondContact ND2-CE2 3.39Å; N269-F274 WeakPolarHBondContact ND2-CG 3.23Å
270	P	98.6	Very high	92.6	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.019	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	142	-174.4	-29.3	34.8	0	0	0	112.1	S168 M194 L198 W250 E268 L272 N301	S168-P270 CarbonylContact C-O 3.59Å; S168-P270 WeakPolarHBondContact CA-O 3.48Å; S168-P270 VanDerWaalsContact CB-O 3.32Å; S168-P270 WeakPolarHBondContact CB-O 3.41Å; M194-P270 HydrophobicContact CE-CB 3.55Å; M194-P270 HydrophobicContact CE-CG 3.36Å; M194-P270 HydrophobicContact SD-CG 4.39Å; L198-P270 HydrophobicContact CB-CG 4.21Å; L198-P270 HydrophobicContact CD1-CG 3.8Å; L198-P270 HydrophobicContact CG-CG 4.46Å; W250-P270 HydrophobicContact CD2-CB 4.1Å; W250-P270 HydrophobicContact CE3-CB 3.6Å; W250-P270 HydrophobicContact CE3-CG 4.27Å; W250-P270 HydrophobicContact CH2-CG 4.34Å; W250-P270 HydrophobicContact CZ3-CB 3.81Å; W250-P270 HydrophobicContact CZ3-CG 4.01Å; E268-P270 VanDerWaalsContact O-CD 3.28Å; E268-P270 WeakPolarHBondContact O-CD 3.46Å; P270-L272 PolarHBondContact O-N 2.85Å; P270-N301 HydrophobicContact CG-CB 4.39Å
271	C	98.8	Very high	93.2	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.007	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	-16.2	-174.6	-48	0	0	0	0	116.1	W250 Q252 D254 N269	W250-C271 PolarHBondContact O-SG 2.81Å; Q252-C271 HydrophobicContact CG-CB 3.75Å; Q252-C271 PolarHBondContact NE2-O 3.13Å; Q252-C271 WeakPolarHBondContact O-CA 3.26Å; D254-C271 WeakPolarHBondContact CB-O 3.04Å; D254-C271 PolarHBondContact N-O 3.39Å; N269-C271 PolarHBondContact O-N 3.21Å
272	L	98.8	Very high	94	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.016	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	75.2	-172.3	-173	71.4	0	0	0	112.1	V166 M167 D254 L256 N269 P270 F274	V166-L272 HydrophobicContact CB-CD2 3.63Å; V166-L272 HydrophobicContact CG2-CD2 3.52Å; M167-L272 WeakPolarHBondContact O-CD2 3.48Å; D254-L272 HydrophobicContact CB-CD1 3.67Å; D254-L272 CarbonylContact O-C 3.52Å; D254-L272 WeakPolarHBondContact O-CA 3.32Å; L256-L272 HydrophobicContact CB-CD1 4.05Å; L256-L272 HydrophobicContact CB-CG 4.24Å; N269-L272 VanDerWaalsContact CB-O 3.24Å; N269-L272 WeakPolarHBondContact CB-O 3.46Å; N269-L272 CarbonylContact O-C 3.52Å; N269-L272 PolarHBondContact O-N 3.32Å; P270-L272 PolarHBondContact O-N 2.85Å; L272-F274 HydrophobicContact CD2-CE1 3.94Å; L272-F274 HydrophobicContact CG-CE1 4.17Å; L272-F274 WeakPolarHBondContact O-CD1 3.37Å; L272-F274 PolarHBondContact O-N 3.19Å
273	T	98.6	Very high	94.5	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.012	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	132.7	176.7	-78	0	0	0	0	110.8	Y253 D254 V255 L256 M267 N269 E293	Y253-T273 PolarHBondContact OH-OG1 3.14Å; D254-T273 PolarHBondContact O-N 2.88Å; V255-T273 CarbonylContact C-O 2.99Å; V255-T273 WeakPolarHBondContact CA-O 3.42Å; L256-T273 PolarHBondContact N-O 2.84Å; M267-T273 WeakPolarHBondContact O-CA 3.48Å; N269-T273 PolarHBondContact O-N 2.72Å; T273-E293 HydrophobicContact CG2-CB 3.46Å; T273-E293 VanDerWaalsContact CG2-CB 3.46Å; T273-E293 HydrophobicContact CG2-CG 3.55Å
274	F	98.3	Very high	95.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	141.5	170.3	-67	0.8	0	0	0	110	S130 A200 V202 L256 L258 F262 G266 M267 N269 L272	S130-F274 WeakPolarHBondContact O-CE2 3.48Å; A200-F274 HydrophobicContact CB-CE1 4.35Å; A200-F274 HydrophobicContact CB-CE2 4.23Å; A200-F274 HydrophobicContact CB-CZ 3.72Å; V202-F274 HydrophobicContact CG2-CE1 3.76Å; V202-F274 HydrophobicContact CG2-CE2 3.8Å; V202-F274 HydrophobicContact CG2-CZ 3.19Å; L256-F274 HydrophobicContact CB-CD1 3.99Å; L256-F274 HydrophobicContact CB-CE1 4.41Å; L256-F274 HydrophobicContact CD2-CD1 3.76Å; L256-F274 HydrophobicContact CD2-CE1 3.56Å; L256-F274 HydrophobicContact CD2-CZ 4.16Å; L256-F274 HydrophobicContact CG-CD1 4.38Å; L256-F274 CarbonylContact O-C 3.53Å; L256-F274 WeakPolarHBondContact O-CA 3.44Å; L258-F274 HydrophobicContact CD1-CB 3.88Å; L258-F274 HydrophobicContact CD1-CD2 3.56Å; L258-F274 HydrophobicContact CD1-CE2 4.3Å; L258-F274 HydrophobicContact CD1-CG 3.91Å; L258-F274 HydrophobicContact CD2-CD2 4.47Å; L258-F274 HydrophobicContact CG-CB 4.34Å; L258-F274 HydrophobicContact CG-CD2 4.3Å; L258-F274 HydrophobicContact CG-CG 4.31Å; F262-F274 HydrophobicContact CZ-CB 4.3Å; G266-F274 CarbonylContact C-O 3.53Å; G266-F274 WeakPolarHBondContact CA-O 3.41Å; M267-F274 HydrophobicContact CB-CB 4.2Å; M267-F274 PolarHBondContact N-O 3.35Å; M267-F274 PolarHBondContact O-N 3.05Å; N269-F274 VanDerWaalsContact ND2-CD2 3.33Å; N269-F274 WeakPolarHBondContact ND2-CD2 3.47Å; N269-F274 WeakPolarHBondContact ND2-CE2 3.39Å; N269-F274 WeakPolarHBondContact ND2-CG 3.23Å; L272-F274 HydrophobicContact CD2-CE1 3.94Å; L272-F274 HydrophobicContact CG-CE1 4.17Å; L272-F274 WeakPolarHBondContact O-CD1 3.37Å; L272-F274 PolarHBondContact O-N 3.19Å
275	A	96.8	Very high	95.8	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.008	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.5	-179.6	0	0	0	0	0	110.9	V255 L256 V257 L258 L279 I290	V255-A275 HydrophobicContact CG1-CB 3.9Å; L256-A275 PolarHBondContact O-N 3.18Å; V257-A275 WeakPolarHBondContact CA-O 3.41Å; L258-A275 PolarHBondContact N-O 3.3Å; A275-L279 HydrophobicContact CB-CD1 4.17Å; A275-I290 HydrophobicContact CB-CD1 4.44Å
276	T	93.9	Very high	96.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	11%	0.106	C	C	.	.			trans	-71.9	142	171.7	-179.1	0	0	0	0	111.4	Y264 G265 T278 L279	Y264-T276 WeakPolarHBondContact O-CB 3.31Å; G265-T276 VanDerWaalsContact O-CG2 3.25Å; G265-T276 WeakPolarHBondContact O-CG2 3.19Å; G265-T276 PolarHBondContact O-N 2.8Å; T276-T278 WeakPolarHBondContact CG2-OG1 3.33Å; T276-T278 PolarHBondContact O-N 3.35Å; T276-T278 VanDerWaalsContact O-N 3.13Å; T276-T278 PolarHBondContact OG1-N 3.13Å; T276-T278 PolarHBondContact OG1-OG1 3.13Å; T276-L279 HydrophobicContact CG2-CD1 4.36Å; T276-L279 HydrophobicContact CG2-CD2 3.93Å; T276-L279 HydrophobicContact CG2-CG 3.64Å; T276-L279 WeakPolarHBondContact O-CG 3.39Å; T276-L279 PolarHBondContact O-N 2.66Å
277	P	93.4	Very high	95.9	Very high	14 Å²	14	16.1 Å²	16.1	9%	0.091	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-67.7	-11.9	173.5	27.2	-32.3	0	0	0	112.1	V257 L258 P260 L279 L280	V257-P277 HydrophobicContact CG1-CB 3.73Å; L258-P277 VanDerWaalsContact O-CD 3.26Å; L258-P277 WeakPolarHBondContact O-CD 3.21Å; L258-P277 WeakPolarHBondContact O-CG 3.35Å; P260-P277 HydrophobicContact CB-CG 4.31Å; P260-P277 HydrophobicContact CG-CG 4.24Å; P277-L279 PolarHBondContact O-N 3.03Å; P277-L280 HydrophobicContact CB-CD1 4.41Å; P277-L280 WeakPolarHBondContact O-CB 3.13Å; P277-L280 WeakPolarHBondContact O-CG 3.21Å; P277-L280 PolarHBondContact O-N 3.46Å; P277-L280 VanDerWaalsContact O-N 3.09Å
278	T	95	Very high	95.4	Very high	17 Å²	17	17.2 Å²	17.2	10%	0.104	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-68.1	-8.8	173.9	66.7	0	0	0	0	113.6	T276 L280 L286 S529 Q558 F563	T276-T278 WeakPolarHBondContact CG2-OG1 3.33Å; T276-T278 PolarHBondContact O-N 3.35Å; T276-T278 VanDerWaalsContact O-N 3.13Å; T276-T278 PolarHBondContact OG1-N 3.13Å; T276-T278 PolarHBondContact OG1-OG1 3.13Å; T278-L280 VanDerWaalsContact C-N 3.33Å; T278-L286 WeakPolarHBondContact O-CD1 3.44Å; T278-S529 WeakPolarHBondContact O-CB 3.3Å; T278-S529 PolarHBondContact O-OG 3.42Å; T278-Q558 HydrophobicContact CG2-CB 3.93Å; T278-Q558 HydrophobicContact CG2-CG 3.88Å; T278-F563 HydrophobicContact CG2-CD2 4.32Å; T278-F563 HydrophobicContact CG2-CE2 4.19Å
279	L	96.2	Very high	95.2	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-78.6	-13.7	170.6	-56.3	-176.6	0	0	0	113.5	E230 F231 A275 T276 P277 A281 L286 V289 I290	E230-L279 WeakPolarHBondContact CG-O 3.47Å; F231-L279 HydrophobicContact CE1-CB 4.1Å; F231-L279 HydrophobicContact CE1-CD1 4.31Å; F231-L279 HydrophobicContact CZ-CB 3.98Å; F231-L279 HydrophobicContact CZ-CD1 4.21Å; A275-L279 HydrophobicContact CB-CD1 4.17Å; T276-L279 HydrophobicContact CG2-CD1 4.36Å; T276-L279 HydrophobicContact CG2-CD2 3.93Å; T276-L279 HydrophobicContact CG2-CG 3.64Å; T276-L279 WeakPolarHBondContact O-CG 3.39Å; T276-L279 PolarHBondContact O-N 2.66Å; P277-L279 PolarHBondContact O-N 3.03Å; L279-A281 PolarHBondContact O-N 3.23Å; L279-L286 HydrophobicContact CB-CB 4.39Å; L279-L286 HydrophobicContact CD2-CB 4.06Å; L279-V289 HydrophobicContact CD1-CB 3.81Å; L279-V289 HydrophobicContact CD1-CG1 3.85Å; L279-V289 HydrophobicContact CD1-CG2 4.43Å; L279-V289 HydrophobicContact CD2-CB 4.05Å; L279-V289 HydrophobicContact CD2-CG1 4.48Å; L279-V289 HydrophobicContact CD2-CG2 3.73Å; L279-I290 HydrophobicContact CD1-CD1 4.42Å
280	L	96.1	Very high	95.1	Very high	28 Å²	28	18.5 Å²	18.5	15%	0.147	12%	0.123	C	C	.	.			trans	-77	67.1	-178.4	-55.6	-177.8	0	0	0	111.1	F223 K226 A227 E230 F231 V257 P277 T278 G282	F223-L280 HydrophobicContact CB-CD1 4.24Å; F223-L280 HydrophobicContact CD1-CD1 3.77Å; F223-L280 HydrophobicContact CG-CD1 4.35Å; K226-L280 HydrophobicContact CB-CD1 4.31Å; A227-L280 HydrophobicContact CB-CD2 3.93Å; E230-L280 HydrophobicContact CB-CD2 3.82Å; E230-L280 HydrophobicContact CG-CD2 4.07Å; F231-L280 HydrophobicContact CE2-CD2 4.16Å; F231-L280 HydrophobicContact CZ-CD2 4.05Å; V257-L280 HydrophobicContact CG1-CD1 4.35Å; P277-L280 HydrophobicContact CB-CD1 4.41Å; P277-L280 WeakPolarHBondContact O-CB 3.13Å; P277-L280 WeakPolarHBondContact O-CG 3.21Å; P277-L280 PolarHBondContact O-N 3.46Å; P277-L280 VanDerWaalsContact O-N 3.09Å; T278-L280 VanDerWaalsContact C-N 3.33Å; L280-G282 VanDerWaalsContact C-N 3.34Å
281	A	95.6	Very high	95.1	Very high	6 Å²	6	18.6 Å²	18.6	5%	0.05	12%	0.124	C	C	.	.			trans	-74.4	-25.8	-177.3	0	0	0	0	0	112.7	E230 L279 D283 L286 T527 N528	E230-A281 PolarHBondContact OE1-N 3.12Å; E230-A281 PolarHBondContact OE2-N 3.23Å; L279-A281 PolarHBondContact O-N 3.23Å; A281-D283 WeakPolarHBondContact CB-OD1 3.44Å; A281-L286 HydrophobicContact CB-CD1 4.14Å; A281-L286 HydrophobicContact CB-CG 4.16Å; A281-T527 PolarHBondContact O-OG1 3.44Å; A281-N528 HydrophobicContact CB-CB 4.27Å
282	G	95.4	Very high	95.1	Very high	65 Å²	65	19.5 Å²	19.5	67%	0.67	13%	0.128	S	C	*	.	S	Bend	trans	95.6	-4.7	-177.4	0	0	0	0	0	114	E230 L280	E230-G282 PolarHBondContact OE1-N 3.5Å; E230-G282 VanDerWaalsContact OE2-CA 3.26Å; E230-G282 WeakPolarHBondContact OE2-CA 3.5Å; E230-G282 PolarHBondContact OE2-N 3.46Å; L280-G282 VanDerWaalsContact C-N 3.34Å
283	D	94.3	Very high	95.1	Very high	79 Å²	79	19.8 Å²	19.8	42%	0.422	13%	0.13	S	C	.	.	S	Bend	trans	-130.5	4.8	-174.1	71.1	-10.8	0	0	0	113.3	A281 S285 S493	A281-D283 WeakPolarHBondContact CB-OD1 3.44Å; D283-S285 VanDerWaalsContact CG-OG 3.25Å; D283-S285 PolarHBondContact O-N 2.96Å; D283-S285 WeakPolarHBondContact OD1-CB 3.46Å; D283-S285 PolarHBondContact OD1-N 3.42Å; D283-S285 PolarHBondContact OD1-OG 3.19Å; D283-S285 WeakPolarHBondContact OD2-CB 3.13Å; D283-S285 PolarHBondContact OD2-OG 2.75Å; D283-S493 PolarHBondContact OD2-OG 2.92Å
284	K	95.1	Very high	95.1	Very high	64 Å²	64	19.7 Å²	19.7	28%	0.278	13%	0.129	S	C	.	.	S	Bend	trans	64.9	5.6	-176.4	-40.1	-176	-166.1	179.9	0	114.7	E230 S232 E233 L286 S287	E230-K284 WeakPolarHBondContact OE1-CA 3.4Å; E230-K284 PolarHBondContact OE1-N 2.87Å; S232-K284 VanDerWaalsContact OG-CE 3.24Å; S232-K284 WeakPolarHBondContact OG-CE 3.42Å; S232-K284 PolarHBondContact OG-NZ 3.01Å; E233-K284 HydrophobicContact CG-CD 4.11Å; E233-K284 IonicContact OE1-NZ 2.93Å; K284-L286 PolarHBondContact O-N 2.77Å; K284-S287 WeakPolarHBondContact O-CB 3.44Å; K284-S287 PolarHBondContact O-N 3.28Å; K284-S287 PolarHBondContact O-OG 3.07Å
285	S	93.3	Very high	95.1	Very high	13 Å²	13	19.7 Å²	19.7	9%	0.091	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.3	-176	61	0	0	0	0	114.3	D283 H494 N528	D283-S285 VanDerWaalsContact CG-OG 3.25Å; D283-S285 PolarHBondContact O-N 2.96Å; D283-S285 WeakPolarHBondContact OD1-CB 3.46Å; D283-S285 PolarHBondContact OD1-N 3.42Å; D283-S285 PolarHBondContact OD1-OG 3.19Å; D283-S285 WeakPolarHBondContact OD2-CB 3.13Å; D283-S285 PolarHBondContact OD2-OG 2.75Å; S285-H494 PolarHBondContact O-CE1 2.98Å; S285-H494 PolarHBondContact O-NE2 3.39Å; S285-N528 PolarHBondContact OG-ND2 3.12Å
286	L	93.8	Very high	95.2	Very high	14 Å²	14	19.8 Å²	19.8	7%	0.073	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	6.8	176.3	-56.1	-176.2	0	0	0	113.1	T278 L279 A281 K284 G288 V289 I497 S529 E530	T278-L286 WeakPolarHBondContact O-CD1 3.44Å; L279-L286 HydrophobicContact CB-CB 4.39Å; L279-L286 HydrophobicContact CD2-CB 4.06Å; A281-L286 HydrophobicContact CB-CD1 4.14Å; A281-L286 HydrophobicContact CB-CG 4.16Å; K284-L286 PolarHBondContact O-N 2.77Å; L286-G288 PolarHBondContact O-N 3.07Å; L286-G288 VanDerWaalsContact O-N 3.14Å; L286-V289 PolarHBondContact O-N 3.19Å; L286-I497 HydrophobicContact CD2-CD1 4.41Å; L286-S529 WeakPolarHBondContact CD1-OG 3.37Å; L286-E530 HydrophobicContact CD1-CG 4.34Å; L286-E530 HydrophobicContact CD2-CB 4.18Å; L286-E530 HydrophobicContact CD2-CG 3.66Å
287	S	87.1	Confident	95.5	Very high	15 Å²	15	19.9 Å²	19.9	11%	0.105	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.2	179.7	71.7	0	0	0	0	113.7	M237 K284 V289 I290 A291	M237-S287 WeakPolarHBondContact CE-OG 3.27Å; K284-S287 WeakPolarHBondContact O-CB 3.44Å; K284-S287 PolarHBondContact O-N 3.28Å; K284-S287 PolarHBondContact O-OG 3.07Å; S287-V289 PolarHBondContact O-N 3.15Å; S287-V289 VanDerWaalsContact O-N 3.13Å; S287-I290 WeakPolarHBondContact O-CA 3.3Å; S287-I290 VanDerWaalsContact O-CB 3.27Å; S287-I290 WeakPolarHBondContact O-CB 3.46Å; S287-I290 PolarHBondContact O-N 3.01Å; S287-A291 PolarHBondContact O-N 3.48Å
288	G	88.3	Confident	95.7	Very high	26 Å²	26	19.4 Å²	19.4	27%	0.268	13%	0.127	S	C	.	.	H	α-helix	trans	-56.3	-26.8	173.3	0	0	0	0	0	113.7	L286 I290 A291 H292	L286-G288 PolarHBondContact O-N 3.07Å; L286-G288 VanDerWaalsContact O-N 3.14Å; G288-I290 VanDerWaalsContact C-N 3.3Å; G288-I290 PolarHBondContact O-N 3.01Å; G288-A291 WeakPolarHBondContact O-CB 3.5Å; G288-A291 PolarHBondContact O-N 2.99Å; G288-H292 PolarHBondContact O-N 3.01Å; G288-H292 VanDerWaalsContact O-N 3.12Å
289	V	93.2	Very high	95.9	Very high	35 Å²	35	18.7 Å²	18.7	21%	0.212	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-37.4	170.7	177.4	0	0	0	0	110.9	L279 L286 S287 A291 H292 E293	L279-V289 HydrophobicContact CD1-CB 3.81Å; L279-V289 HydrophobicContact CD1-CG1 3.85Å; L279-V289 HydrophobicContact CD1-CG2 4.43Å; L279-V289 HydrophobicContact CD2-CB 4.05Å; L279-V289 HydrophobicContact CD2-CG1 4.48Å; L279-V289 HydrophobicContact CD2-CG2 3.73Å; L286-V289 PolarHBondContact O-N 3.19Å; S287-V289 PolarHBondContact O-N 3.15Å; S287-V289 VanDerWaalsContact O-N 3.13Å; V289-A291 VanDerWaalsContact C-N 3.31Å; V289-A291 PolarHBondContact O-N 3Å; V289-H292 VanDerWaalsContact O-CB 3.22Å; V289-H292 WeakPolarHBondContact O-CB 3.37Å; V289-H292 PolarHBondContact O-N 2.9Å; V289-H292 VanDerWaalsContact O-N 3.1Å; V289-E293 HydrophobicContact CG1-CG 4.42Å; V289-E293 WeakPolarHBondContact O-CG 3.26Å; V289-E293 PolarHBondContact O-N 2.72Å
290	I	97.2	Very high	96	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-64.6	-36.7	175.2	-53.5	-57.8	0	0	0	111.2	F231 M237 Y253 V255 A275 L279 S287 G288 H292 E293 I294	F231-I290 HydrophobicContact CD1-CD1 3.98Å; F231-I290 HydrophobicContact CD1-CG1 3.58Å; F231-I290 HydrophobicContact CE1-CD1 3.89Å; F231-I290 HydrophobicContact CE1-CG1 3.78Å; F231-I290 HydrophobicContact CG-CD1 4.37Å; F231-I290 HydrophobicContact CG-CG1 4.24Å; F231-I290 HydrophobicContact CZ-CD1 4.2Å; M237-I290 HydrophobicContact SD-CB 4.23Å; M237-I290 HydrophobicContact SD-CG2 4.28Å; Y253-I290 HydrophobicContact CE1-CG2 4.3Å; V255-I290 HydrophobicContact CG1-CD1 4.07Å; V255-I290 HydrophobicContact CG2-CD1 4.45Å; A275-I290 HydrophobicContact CB-CD1 4.44Å; L279-I290 HydrophobicContact CD1-CD1 4.42Å; S287-I290 WeakPolarHBondContact O-CA 3.3Å; S287-I290 VanDerWaalsContact O-CB 3.27Å; S287-I290 WeakPolarHBondContact O-CB 3.46Å; S287-I290 PolarHBondContact O-N 3.01Å; G288-I290 VanDerWaalsContact C-N 3.3Å; G288-I290 PolarHBondContact O-N 3.01Å; I290-H292 VanDerWaalsContact C-N 3.28Å; I290-H292 PolarHBondContact O-N 3.31Å; I290-E293 PolarHBondContact O-N 3.41Å; I290-I294 HydrophobicContact CG2-CD1 3.91Å; I290-I294 HydrophobicContact CG2-CG1 4.31Å; I290-I294 WeakPolarHBondContact O-CB 3.5Å; I290-I294 WeakPolarHBondContact O-CG1 3.45Å; I290-I294 PolarHBondContact O-N 3.18Å
291	A	98.1	Very high	96.1	Very high	5 Å²	5	17.4 Å²	17.4	4%	0.041	12%	0.115	C	C	.	.	H	α-helix	trans	-63.2	-34.5	173.4	0	0	0	0	0	112.6	M237 S287 G288 V289 S295 E322 I325	M237-A291 HydrophobicContact SD-CB 4.06Å; S287-A291 PolarHBondContact O-N 3.48Å; G288-A291 WeakPolarHBondContact O-CB 3.5Å; G288-A291 PolarHBondContact O-N 2.99Å; V289-A291 VanDerWaalsContact C-N 3.31Å; V289-A291 PolarHBondContact O-N 3Å; A291-S295 WeakPolarHBondContact O-CB 3.29Å; A291-S295 PolarHBondContact O-N 2.82Å; A291-S295 PolarHBondContact O-OG 2.93Å; A291-E322 HydrophobicContact CB-CG 4.23Å; A291-I325 HydrophobicContact CB-CD1 4.41Å; A291-I325 HydrophobicContact CB-CG2 4.16Å
292	H	98.6	Very high	96.3	Very high	20 Å²	20	17.5 Å²	17.5	9%	0.093	12%	0.115	C	C	.	.	H	α-helix	trans	-63.2	-53.8	173.2	-171.4	94.3	0	0	0	111	G288 V289 I290 I294 S295 H296 E315 T318 E322 Y380	G288-H292 PolarHBondContact O-N 3.01Å; G288-H292 VanDerWaalsContact O-N 3.12Å; V289-H292 VanDerWaalsContact O-CB 3.22Å; V289-H292 WeakPolarHBondContact O-CB 3.37Å; V289-H292 PolarHBondContact O-N 2.9Å; V289-H292 VanDerWaalsContact O-N 3.1Å; I290-H292 VanDerWaalsContact C-N 3.28Å; I290-H292 PolarHBondContact O-N 3.31Å; H292-I294 VanDerWaalsContact C-N 3.3Å; H292-I294 PolarHBondContact O-N 3.08Å; H292-S295 VanDerWaalsContact O-CB 3.31Å; H292-S295 WeakPolarHBondContact O-CB 3.37Å; H292-S295 PolarHBondContact O-N 3.4Å; H292-H296 AromaticContact CD2-CD2 3.75Å; H292-H296 AromaticContact CD2-NE2 3.68Å; H292-H296 AromaticContact NE2-CD2 3.9Å; H292-H296 AromaticContact NE2-NE2 3.32Å; H292-H296 PolarHBondContact NE2-NE2 3.31Å; H292-H296 PolarHBondContact O-N 3.21Å; H292-E315 IonicContact CE1-OE2 2.82Å; H292-E315 IonicContact NE2-OE2 2.76Å; H292-T318 WeakPolarHBondContact O-CG2 3.32Å; H292-E322 HydrophobicContact CB-CB 4.47Å; H292-E322 HydrophobicContact CB-CG 4.07Å; H292-E322 IonicContact CE1-OE2 2.82Å; H292-E322 IonicContact CG-OE2 2.77Å; H292-E322 IonicContact ND1-OE2 3.85Å; H292-E322 PolarHBondContact ND1-OE2 2.83Å; H292-Y380 AromaticContact CE1-CD1 3.94Å; H292-Y380 AromaticContact CE1-CE1 3.96Å; H292-Y380 AromaticContact NE2-CE1 3.87Å
293	E	98.6	Very high	96.4	Very high	10 Å²	10	14.6 Å²	14.6	5%	0.047	8%	0.084	C	C	.	.	H	α-helix	trans	-65	-33.4	-179.8	-53.4	-51.5	152.2	0	0	112.7	Y253 G266 M267 E268 T273 V289 I290 S295 H296	Y253-E293 WeakPolarHBondContact OH-CB 3.44Å; G266-E293 VanDerWaalsContact CA-OE1 3.32Å; G266-E293 WeakPolarHBondContact CA-OE1 3.04Å; M267-E293 VanDerWaalsContact C-OE2 3.31Å; E268-E293 WeakPolarHBondContact CA-OE2 3.25Å; E268-E293 PolarHBondContact N-OE2 2.89Å; E268-E293 VanDerWaalsContact N-OE2 3.12Å; T273-E293 HydrophobicContact CG2-CB 3.46Å; T273-E293 VanDerWaalsContact CG2-CB 3.46Å; T273-E293 HydrophobicContact CG2-CG 3.55Å; V289-E293 HydrophobicContact CG1-CG 4.42Å; V289-E293 WeakPolarHBondContact O-CG 3.26Å; V289-E293 PolarHBondContact O-N 2.72Å; I290-E293 PolarHBondContact O-N 3.41Å; E293-S295 VanDerWaalsContact C-N 3.34Å; E293-H296 IonicContact OE2-CD2 3.68Å
294	I	98.8	Very high	96.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59.9	-47.2	170.6	-76.2	168.4	0	0	0	110	T234 M237 L238 A241 Y253 I290 H292 H296 S297 W298 I325	T234-I294 HydrophobicContact CG2-CD1 4.43Å; M237-I294 HydrophobicContact CB-CD1 3.38Å; M237-I294 HydrophobicContact CG-CD1 4.43Å; M237-I294 HydrophobicContact SD-CD1 4.28Å; L238-I294 HydrophobicContact CD2-CD1 4.3Å; L238-I294 HydrophobicContact CD2-CG1 4.02Å; L238-I294 HydrophobicContact CD2-CG2 3.97Å; L238-I294 HydrophobicContact CG-CD1 3.97Å; L238-I294 HydrophobicContact CG-CG1 4.24Å; A241-I294 HydrophobicContact CB-CG2 3.57Å; Y253-I294 HydrophobicContact CD1-CG1 4.34Å; Y253-I294 HydrophobicContact CD2-CG1 4.44Å; Y253-I294 HydrophobicContact CE1-CD1 4.2Å; Y253-I294 HydrophobicContact CE1-CG1 3.63Å; Y253-I294 HydrophobicContact CE2-CB 4.46Å; Y253-I294 HydrophobicContact CE2-CG1 3.77Å; Y253-I294 WeakPolarHBondContact OH-CG1 3.44Å; Y253-I294 PolarHBondContact OH-N 2.95Å; I290-I294 HydrophobicContact CG2-CD1 3.91Å; I290-I294 HydrophobicContact CG2-CG1 4.31Å; I290-I294 WeakPolarHBondContact O-CB 3.5Å; I290-I294 WeakPolarHBondContact O-CG1 3.45Å; I290-I294 PolarHBondContact O-N 3.18Å; H292-I294 VanDerWaalsContact C-N 3.3Å; H292-I294 PolarHBondContact O-N 3.08Å; I294-H296 VanDerWaalsContact C-N 3.28Å; I294-H296 PolarHBondContact O-N 2.99Å; I294-S297 WeakPolarHBondContact O-CB 3.43Å; I294-S297 PolarHBondContact O-N 3.14Å; I294-S297 PolarHBondContact O-OG 3.43Å; I294-W298 HydrophobicContact CG2-CZ3 4Å; I294-W298 WeakPolarHBondContact O-CZ3 3.41Å; I294-I325 HydrophobicContact CG2-CD1 4.49Å
295	S	98.9	Very high	96.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.1	-37.5	-176	-63.7	0	0	0	0	112.4	A291 H292 E293 S297 W298 T299 L321 E322 I325	A291-S295 WeakPolarHBondContact O-CB 3.29Å; A291-S295 PolarHBondContact O-N 2.82Å; A291-S295 PolarHBondContact O-OG 2.93Å; H292-S295 VanDerWaalsContact O-CB 3.31Å; H292-S295 WeakPolarHBondContact O-CB 3.37Å; H292-S295 PolarHBondContact O-N 3.4Å; E293-S295 VanDerWaalsContact C-N 3.34Å; S295-S297 PolarHBondContact O-N 3.03Å; S295-W298 PolarHBondContact O-N 2.81Å; S295-T299 PolarHBondContact O-N 2.94Å; S295-T299 VanDerWaalsContact O-N 3.15Å; S295-T299 PolarHBondContact O-OG1 2.89Å; S295-L321 WeakPolarHBondContact OG-CG 3.39Å; S295-E322 PolarHBondContact OG-N 3.01Å; S295-I325 WeakPolarHBondContact OG-CD1 3.42Å
296	H	98.9	Very high	97.1	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.009	6%	0.06	C	C	.	.	H	α-helix	trans	-57.7	-22.5	175	-86.2	-59	0	0	0	114.7	E268 H292 E293 I294 W298 T299 N301 E315 T318	E268-H296 HydrophobicContact CB-CB 3.29Å; E268-H296 HydrophobicContact CG-CB 3.61Å; E268-H296 IonicContact OE1-CE1 3Å; H292-H296 AromaticContact CD2-CD2 3.75Å; H292-H296 AromaticContact CD2-NE2 3.68Å; H292-H296 AromaticContact NE2-CD2 3.9Å; H292-H296 AromaticContact NE2-NE2 3.32Å; H292-H296 PolarHBondContact NE2-NE2 3.31Å; H292-H296 PolarHBondContact O-N 3.21Å; E293-H296 IonicContact OE2-CD2 3.68Å; I294-H296 VanDerWaalsContact C-N 3.28Å; I294-H296 PolarHBondContact O-N 2.99Å; H296-W298 PolarHBondContact O-N 3.32Å; H296-T299 WeakPolarHBondContact CA-O 3.49Å; H296-T299 PolarHBondContact ND1-O 3.37Å; H296-T299 PolarHBondContact O-N 3.3Å; H296-N301 VanDerWaalsContact O-CB 3.24Å; H296-N301 WeakPolarHBondContact O-CB 3.21Å; H296-N301 VanDerWaalsContact O-CG 3.24Å; H296-N301 PolarHBondContact O-N 2.84Å; H296-E315 IonicContact CE1-OE1 3.43Å; H296-E315 PolarHBondContact CE1-OE1 3.47Å; H296-E315 VanDerWaalsContact CE1-OE1 3.3Å; H296-E315 IonicContact CE1-OE2 3.69Å; H296-E315 PolarHBondContact CE1-OE2 2.81Å; H296-E315 IonicContact NE2-OE1 3.39Å; H296-E315 IonicContact NE2-OE2 3.99Å; H296-E315 PolarHBondContact NE2-OE2 3.12Å; H296-T318 PolarHBondContact CE1-OG1 3.13Å; H296-T318 VanDerWaalsContact CE1-OG1 3.24Å; H296-T318 PolarHBondContact ND1-OG1 3.4Å
297	S	98.9	Very high	97.2	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.021	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.3	173.8	-55	0	0	0	0	112.8	Y248 W250 I294 S295	Y248-S297 WeakPolarHBondContact CE2-OG 3.31Å; W250-S297 PolarHBondContact NE1-O 3.1Å; I294-S297 WeakPolarHBondContact O-CB 3.43Å; I294-S297 PolarHBondContact O-N 3.14Å; I294-S297 PolarHBondContact O-OG 3.43Å; S295-S297 PolarHBondContact O-N 3.03Å
298	W	98.9	Very high	97.8	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.015	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-50.4	169.7	-62.8	-91.9	0	0	0	112.2	A241 E242 A245 G246 P247 Y248 I294 S295 H296 G300 L302 V303 L321 I408	A241-W298 HydrophobicContact CB-CE3 4.46Å; A241-W298 HydrophobicContact CB-CH2 3.72Å; A241-W298 HydrophobicContact CB-CZ3 3.55Å; E242-W298 HydrophobicContact CG-CH2 4.01Å; E242-W298 HydrophobicContact CG-CZ2 3.79Å; A245-W298 HydrophobicContact CB-CB 4.26Å; A245-W298 HydrophobicContact CB-CD2 3.7Å; A245-W298 HydrophobicContact CB-CE3 4.28Å; A245-W298 HydrophobicContact CB-CG 3.68Å; G246-W298 WeakPolarHBondContact O-CZ2 3.16Å; G246-W298 PolarHBondContact O-NE1 3.48Å; G246-W298 VanDerWaalsContact O-NE1 3.1Å; P247-W298 PolarHBondContact O-NE1 2.7Å; Y248-W298 AromaticContact CD2-CH2 3.85Å; Y248-W298 HydrophobicContact CD2-CH2 3.85Å; Y248-W298 HydrophobicContact CD2-CZ2 4.16Å; Y248-W298 HydrophobicContact CD2-CZ3 4.42Å; I294-W298 HydrophobicContact CG2-CZ3 4Å; I294-W298 WeakPolarHBondContact O-CZ3 3.41Å; S295-W298 PolarHBondContact O-N 2.81Å; H296-W298 PolarHBondContact O-N 3.32Å; W298-G300 PolarHBondContact O-N 3.24Å; W298-L302 WeakPolarHBondContact O-CB 3.43Å; W298-V303 PolarHBondContact O-N 3.44Å; W298-L321 HydrophobicContact CE3-CD2 4.44Å; W298-I408 HydrophobicContact CB-CD1 3.92Å; W298-I408 HydrophobicContact CB-CG1 4.31Å; W298-I408 HydrophobicContact CB-CG2 3.98Å; W298-I408 HydrophobicContact CG-CG2 4.23Å
299	T	98.8	Very high	98.2	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.012	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-99.9	85.3	-173.4	50.5	0	0	0	0	111.1	S295 H296 H317 T318 I408	S295-T299 PolarHBondContact O-N 2.94Å; S295-T299 VanDerWaalsContact O-N 3.15Å; S295-T299 PolarHBondContact O-OG1 2.89Å; H296-T299 WeakPolarHBondContact CA-O 3.49Å; H296-T299 PolarHBondContact ND1-O 3.37Å; H296-T299 PolarHBondContact O-N 3.3Å; T299-H317 HydrophobicContact CG2-CB 3.59Å; T299-T318 PolarHBondContact O-OG1 2.98Å; T299-T318 WeakPolarHBondContact OG1-CA 3.36Å; T299-T318 PolarHBondContact OG1-N 2.88Å; T299-T318 PolarHBondContact OG1-OG1 3.21Å; T299-I408 HydrophobicContact CG2-CD1 4.07Å; T299-I408 HydrophobicContact CG2-CG1 4.19Å
300	G	98.5	Very high	98.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	137.7	-56.9	-176.2	0	0	0	0	0	110.5	Y197 W298 V303 T304	Y197-G300 PolarHBondContact OH-O 2.92Å; W298-G300 PolarHBondContact O-N 3.24Å; G300-V303 CarbonylContact C-O 3.48Å; G300-V303 VanDerWaalsContact CA-O 3.23Å; G300-V303 WeakPolarHBondContact CA-O 3.21Å; G300-V303 PolarHBondContact N-O 3.34Å; G300-T304 WeakPolarHBondContact O-CA 3.01Å; G300-T304 VanDerWaalsContact O-CB 3.29Å; G300-T304 WeakPolarHBondContact O-CB 3.47Å; G300-T304 WeakPolarHBondContact O-CG2 3.39Å; G300-T304 PolarHBondContact O-OG1 2.95Å
301	N	98.8	Very high	98.5	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-50.5	-178.3	-60.7	-7.9	0	0	0	111.1	K150 L198 W250 E268 P270 H296	K150-N301 PolarHBondContact NZ-O 2.76Å; L198-N301 HydrophobicContact CD1-CB 4.05Å; L198-N301 WeakPolarHBondContact CD1-OD1 3.22Å; W250-N301 HydrophobicContact CH2-CB 3.87Å; W250-N301 HydrophobicContact CZ2-CB 3.39Å; E268-N301 VanDerWaalsContact CG-OD1 3.3Å; E268-N301 WeakPolarHBondContact CG-OD1 3.37Å; E268-N301 PolarHBondContact O-ND2 2.59Å; P270-N301 HydrophobicContact CG-CB 4.39Å; H296-N301 VanDerWaalsContact O-CB 3.24Å; H296-N301 WeakPolarHBondContact O-CB 3.21Å; H296-N301 VanDerWaalsContact O-CG 3.24Å; H296-N301 PolarHBondContact O-N 2.84Å
302	L	98.7	Very high	98.6	Very high	9 Å²	9	10.1 Å²	10.1	5%	0.047	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-49.4	-177.2	-169.6	61.6	0	0	0	111.9	K150 V249 W250 W298 I408 A412 Y413	K150-L302 PolarHBondContact NZ-O 3.31Å; V249-L302 HydrophobicContact CG2-CD1 4.12Å; W250-L302 HydrophobicContact CZ2-CB 4.36Å; W298-L302 WeakPolarHBondContact O-CB 3.43Å; L302-I408 HydrophobicContact CD2-CG2 4.28Å; L302-A412 HydrophobicContact CD1-CB 4.19Å; L302-A412 HydrophobicContact CD2-CB 4.04Å; L302-A412 HydrophobicContact CG-CB 3.94Å; L302-Y413 HydrophobicContact CD1-CD1 3.44Å; L302-Y413 VanDerWaalsContact CD1-CD1 3.44Å; L302-Y413 HydrophobicContact CD1-CD2 4.35Å; L302-Y413 HydrophobicContact CD1-CE1 3.33Å; L302-Y413 HydrophobicContact CD1-CE2 4.27Å; L302-Y413 HydrophobicContact CD1-CG 3.97Å; L302-Y413 WeakPolarHBondContact O-CA 3.44Å; L302-Y413 PolarHBondContact O-N 2.68Å
303	V	98.9	Very high	98.6	Very high	3 Å²	3	9.2 Å²	9.2	2%	0.018	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.2	168.3	-172.8	0	0	0	0	108.5	W298 G300 Y407 F411 V416	W298-V303 PolarHBondContact O-N 3.44Å; G300-V303 CarbonylContact C-O 3.48Å; G300-V303 VanDerWaalsContact CA-O 3.23Å; G300-V303 WeakPolarHBondContact CA-O 3.21Å; G300-V303 PolarHBondContact N-O 3.34Å; V303-Y407 HydrophobicContact CB-CE1 4.5Å; V303-Y407 HydrophobicContact CG1-CE1 4.04Å; V303-Y407 HydrophobicContact CG1-CE2 4.32Å; V303-Y407 WeakPolarHBondContact CG1-OH 3.42Å; V303-F411 HydrophobicContact CB-CB 4.48Å; V303-F411 HydrophobicContact CG1-CB 3.68Å; V303-F411 HydrophobicContact CG2-CB 4Å; V303-V416 HydrophobicContact CG1-CG1 4.36Å; V303-V416 HydrophobicContact CG1-CG2 3.71Å
304	T	98.9	Very high	98.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	146.7	-171.7	-50.6	0	0	0	0	111	P147 K150 P195 Y197 G300 R306 S414 S415 V416	P147-T304 HydrophobicContact CB-CG2 3.8Å; K150-T304 WeakPolarHBondContact CE-OG1 3.48Å; K150-T304 PolarHBondContact NZ-OG1 3.23Å; P195-T304 HydrophobicContact CG-CG2 4.01Å; Y197-T304 HydrophobicContact CE1-CG2 3.87Å; G300-T304 WeakPolarHBondContact O-CA 3.01Å; G300-T304 VanDerWaalsContact O-CB 3.29Å; G300-T304 WeakPolarHBondContact O-CB 3.47Å; G300-T304 WeakPolarHBondContact O-CG2 3.39Å; G300-T304 PolarHBondContact O-OG1 2.95Å; T304-R306 PolarHBondContact O-N 3Å; T304-S414 PolarHBondContact N-O 3.36Å; T304-S414 VanDerWaalsContact N-O 3.08Å; T304-S415 CarbonylContact O-C 3.09Å; T304-S415 WeakPolarHBondContact O-CA 3.29Å; T304-V416 PolarHBondContact O-N 2.84Å
305	N	98.7	Very high	98.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	135.4	163.7	63.9	-69.3	0	0	0	111.2	P147 T307 H310 N314	P147-N305 WeakPolarHBondContact CB-O 3.41Å; P147-N305 WeakPolarHBondContact CG-O 3.46Å; N305-T307 VanDerWaalsContact ND2-C 3.32Å; N305-T307 PolarHBondContact ND2-O 3.2Å; N305-H310 HydrophobicContact CB-CB 4.12Å; N305-H310 WeakPolarHBondContact CB-O 3.41Å; N305-N314 WeakPolarHBondContact CB-OD1 3.35Å; N305-N314 PolarHBondContact N-OD1 3.29Å; N305-N314 PolarHBondContact OD1-ND2 3.2Å; N305-N314 PolarHBondContact OD1-OD1 2.89Å; N305-N314 VanDerWaalsContact OD1-OD1 3.05Å
306	R	97.9	Very high	98.6	Very high	78 Å²	78	8.8 Å²	8.8	29%	0.294	4%	0.038	S	C	.	.	S	Bend	trans	-69.9	-38.6	-178.9	-169.3	172.5	-166.8	112.4	4.2	113	S148 T304 V416 T417	S148-R306 PolarHBondContact N-O 3.05Å; S148-R306 WeakPolarHBondContact OG-CG 3.15Å; S148-R306 PolarHBondContact OG-O 3.13Å; T304-R306 PolarHBondContact O-N 3Å; R306-V416 WeakPolarHBondContact CB-O 3.47Å; R306-V416 PolarHBondContact N-O 2.56Å; R306-T417 HydrophobicContact CB-CG2 4Å; R306-T417 HydrophobicContact CG-CG2 4.39Å
307	T	97.7	Very high	98.6	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.006	4%	0.038	C	C	.	.	S	Bend	trans	-136.8	165.2	173.7	66.7	0	0	0	0	108.2	D3 N305 E309 H310	D3-T307 HydrophobicContact CB-CG2 4.01Å; N305-T307 VanDerWaalsContact ND2-C 3.32Å; N305-T307 PolarHBondContact ND2-O 3.2Å; T307-E309 PolarHBondContact O-N 3.12Å; T307-H310 PolarHBondContact O-N 3.26Å; T307-H310 PolarHBondContact OG1-CD2 3.22Å; T307-H310 VanDerWaalsContact OG1-CD2 3.29Å
308	W	98	Very high	98.6	Very high	6 Å²	6	8.6 Å²	8.6	2%	0.023	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-66	-15.6	179.2	-64	112.8	0	0	0	113.9	Q133 A134 P147 Y197 H310 F311 L366 F375	Q133-W308 HydrophobicContact CG-CH2 3.75Å; Q133-W308 HydrophobicContact CG-CZ3 4.05Å; A134-W308 HydrophobicContact CB-CD2 3.75Å; A134-W308 HydrophobicContact CB-CE3 4.14Å; A134-W308 HydrophobicContact CB-CG 4.24Å; A134-W308 HydrophobicContact CB-CH2 4.26Å; A134-W308 HydrophobicContact CB-CZ2 3.88Å; A134-W308 HydrophobicContact CB-CZ3 4.36Å; A134-W308 VanDerWaalsContact O-CE2 3.24Å; A134-W308 WeakPolarHBondContact O-CZ2 3.25Å; A134-W308 PolarHBondContact O-NE1 2.9Å; P147-W308 HydrophobicContact CB-CZ2 4.35Å; P147-W308 HydrophobicContact CG-CD2 4.47Å; P147-W308 HydrophobicContact CG-CZ2 4.08Å; Y197-W308 AromaticContact CD1-CH2 3.58Å; Y197-W308 HydrophobicContact CD1-CH2 3.58Å; Y197-W308 AromaticContact CD1-CZ2 3.72Å; Y197-W308 HydrophobicContact CD1-CZ2 3.72Å; Y197-W308 AromaticContact CD2-CH2 3.99Å; Y197-W308 HydrophobicContact CD2-CH2 3.99Å; Y197-W308 AromaticContact CE1-CH2 3.83Å; Y197-W308 HydrophobicContact CE1-CH2 3.83Å; Y197-W308 HydrophobicContact CE1-CZ2 4.33Å; Y197-W308 HydrophobicContact CE2-CH2 4.22Å; Y197-W308 AromaticContact CG-CH2 3.69Å; Y197-W308 HydrophobicContact CG-CH2 3.69Å; Y197-W308 AromaticContact CG-CZ2 3.92Å; Y197-W308 HydrophobicContact CG-CZ2 3.92Å; W308-H310 PolarHBondContact O-N 3.32Å; W308-F311 HydrophobicContact CE3-CB 4.42Å; W308-F311 AromaticContact CE3-CD2 3.77Å; W308-F311 HydrophobicContact CE3-CD2 3.77Å; W308-F311 HydrophobicContact CE3-CE2 4.32Å; W308-F311 HydrophobicContact CE3-CG 4.25Å; W308-F311 AromaticContact CZ3-CD2 3.65Å; W308-F311 HydrophobicContact CZ3-CD2 3.65Å; W308-F311 AromaticContact CZ3-CE2 3.83Å; W308-F311 HydrophobicContact CZ3-CE2 3.83Å; W308-F311 WeakPolarHBondContact O-CB 3.38Å; W308-F311 PolarHBondContact O-N 2.62Å; W308-L366 HydrophobicContact CB-CD1 3.52Å; W308-F375 HydrophobicContact CE3-CE1 4.43Å; W308-F375 HydrophobicContact CE3-CZ 4.23Å; W308-F375 HydrophobicContact CZ3-CZ 4.43Å
309	E	97.8	Very high	98.6	Very high	42 Å²	42	8.5 Å²	8.5	20%	0.196	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-65	-25.6	171.3	-61.8	178.1	128.9	0	0	112	P4 T307 P364 S365 L366	P4-E309 HydrophobicContact CG-CG 4.41Å; T307-E309 PolarHBondContact O-N 3.12Å; E309-P364 WeakPolarHBondContact CB-O 3.41Å; E309-P364 VanDerWaalsContact CG-O 3.32Å; E309-P364 WeakPolarHBondContact CG-O 3.32Å; E309-S365 VanDerWaalsContact OE1-CA 3.3Å; E309-S365 WeakPolarHBondContact OE1-CA 3.49Å; E309-L366 HydrophobicContact CG-CB 3.9Å; E309-L366 HydrophobicContact CG-CD1 4.09Å; E309-L366 HydrophobicContact CG-CG 3.84Å; E309-L366 PolarHBondContact OE1-N 3.33Å
310	H	98.4	Very high	98.6	Very high	21 Å²	21	8.5 Å²	8.5	10%	0.097	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-99	17.5	178.4	-57	-64.9	0	0	0	113	N305 T307 W308 W312 L313 T418	N305-H310 HydrophobicContact CB-CB 4.12Å; N305-H310 WeakPolarHBondContact CB-O 3.41Å; T307-H310 PolarHBondContact O-N 3.26Å; T307-H310 PolarHBondContact OG1-CD2 3.22Å; T307-H310 VanDerWaalsContact OG1-CD2 3.29Å; W308-H310 PolarHBondContact O-N 3.32Å; H310-W312 PolarHBondContact O-N 3.34Å; H310-W312 VanDerWaalsContact O-N 3.09Å; H310-L313 HydrophobicContact CB-CD1 4.05Å; H310-L313 WeakPolarHBondContact O-CB 2.89Å; H310-L313 PolarHBondContact O-N 3Å; H310-T418 PolarHBondContact ND1-N 3.44Å; H310-T418 VanDerWaalsContact ND1-N 3.16Å; H310-T418 PolarHBondContact ND1-OG1 3.1Å
311	F	98.6	Very high	98.6	Very high	9 Å²	9	8.5 Å²	8.5	4%	0.039	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-28	-173.6	-177.6	-128.4	0	0	0	113.9	W308 L313 N314 E315 F375 P379 Y380	W308-F311 HydrophobicContact CE3-CB 4.42Å; W308-F311 AromaticContact CE3-CD2 3.77Å; W308-F311 HydrophobicContact CE3-CD2 3.77Å; W308-F311 HydrophobicContact CE3-CE2 4.32Å; W308-F311 HydrophobicContact CE3-CG 4.25Å; W308-F311 AromaticContact CZ3-CD2 3.65Å; W308-F311 HydrophobicContact CZ3-CD2 3.65Å; W308-F311 AromaticContact CZ3-CE2 3.83Å; W308-F311 HydrophobicContact CZ3-CE2 3.83Å; W308-F311 WeakPolarHBondContact O-CB 3.38Å; W308-F311 PolarHBondContact O-N 2.62Å; F311-L313 PolarHBondContact O-N 3.29Å; F311-L313 VanDerWaalsContact O-N 3.09Å; F311-N314 HydrophobicContact CD2-CB 4.41Å; F311-N314 HydrophobicContact CE2-CB 4.48Å; F311-N314 WeakPolarHBondContact O-CB 3.39Å; F311-N314 PolarHBondContact O-N 3.08Å; F311-E315 HydrophobicContact CD1-CG 3.95Å; F311-E315 HydrophobicContact CD2-CG 4.27Å; F311-E315 HydrophobicContact CE1-CG 3.45Å; F311-E315 VanDerWaalsContact CE1-CG 3.45Å; F311-E315 HydrophobicContact CE2-CG 3.8Å; F311-E315 WeakPolarHBondContact CE2-OE1 3.43Å; F311-E315 HydrophobicContact CG-CG 4.33Å; F311-E315 HydrophobicContact CZ-CG 3.37Å; F311-E315 WeakPolarHBondContact CZ-OE1 3.44Å; F311-E315 PolarHBondContact O-N 2.59Å; F311-F375 HydrophobicContact CD1-CD1 4.27Å; F311-F375 AromaticContact CD1-CE1 3.94Å; F311-F375 HydrophobicContact CD1-CE1 3.94Å; F311-F375 HydrophobicContact CE1-CD1 4.14Å; F311-F375 AromaticContact CE1-CE1 3.91Å; F311-F375 HydrophobicContact CE1-CE1 3.91Å; F311-F375 HydrophobicContact CE1-CZ 4.35Å; F311-F375 HydrophobicContact CG-CE1 4.42Å; F311-F375 HydrophobicContact CZ-CE1 4.35Å; F311-F375 HydrophobicContact CZ-CZ 4.36Å; F311-P379 HydrophobicContact CD1-CB 3.97Å; F311-P379 HydrophobicContact CD1-CG 3.75Å; F311-P379 HydrophobicContact CE1-CG 4.09Å; F311-Y380 HydrophobicContact CE1-CE2 4.11Å
312	W	98.8	Very high	98.6	Very high	1 Å²	1	9.8 Å²	9.8	0%	0.004	4%	0.043	C	C	.	.	H	α-helix	trans	-57.5	-23.9	173.3	84.4	-88.7	0	0	0	113.8	H310 N314 G316 L362 P379 L386 L387 T418 W421	H310-W312 PolarHBondContact O-N 3.34Å; H310-W312 VanDerWaalsContact O-N 3.09Å; W312-N314 VanDerWaalsContact C-N 3.28Å; W312-N314 PolarHBondContact O-N 2.96Å; W312-G316 WeakPolarHBondContact O-CA 3.4Å; W312-G316 PolarHBondContact O-N 3.39Å; W312-L362 HydrophobicContact CB-CD1 3.39Å; W312-L362 HydrophobicContact CB-CG 3.89Å; W312-L362 HydrophobicContact CD2-CD1 4.06Å; W312-L362 HydrophobicContact CD2-CD2 3.88Å; W312-L362 HydrophobicContact CD2-CG 3.85Å; W312-L362 HydrophobicContact CE3-CD1 4.33Å; W312-L362 HydrophobicContact CE3-CD2 4.09Å; W312-L362 HydrophobicContact CE3-CG 4.4Å; W312-L362 HydrophobicContact CG-CD1 3.66Å; W312-L362 HydrophobicContact CG-CD2 4.17Å; W312-L362 HydrophobicContact CG-CG 3.58Å; W312-P379 HydrophobicContact CB-CB 4.05Å; W312-L386 HydrophobicContact CH2-CD2 3.91Å; W312-L386 HydrophobicContact CZ3-CD2 4.06Å; W312-L387 HydrophobicContact CZ3-CD2 4.26Å; W312-L387 HydrophobicContact CZ3-CG 4.47Å; W312-T418 HydrophobicContact CZ2-CG2 4.03Å; W312-T418 PolarHBondContact NE1-OG1 2.93Å; W312-W421 AromaticContact CH2-CD2 3.82Å; W312-W421 HydrophobicContact CH2-CD2 3.82Å; W312-W421 AromaticContact CH2-CE2 3.86Å; W312-W421 AromaticContact CH2-CE3 3.74Å; W312-W421 HydrophobicContact CH2-CE3 3.74Å; W312-W421 AromaticContact CH2-CH2 3.81Å; W312-W421 HydrophobicContact CH2-CH2 3.81Å; W312-W421 AromaticContact CH2-CZ2 3.88Å; W312-W421 HydrophobicContact CH2-CZ2 3.88Å; W312-W421 AromaticContact CH2-CZ3 3.75Å; W312-W421 HydrophobicContact CH2-CZ3 3.75Å; W312-W421 HydrophobicContact CZ2-CD2 4.19Å; W312-W421 AromaticContact CZ2-CE3 3.88Å; W312-W421 HydrophobicContact CZ2-CE3 3.88Å; W312-W421 HydrophobicContact CZ2-CZ3 4.13Å
313	L	98.9	Very high	98.6	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.01	4%	0.042	C	C	.	.	H	α-helix	trans	-66.5	-32.9	176.1	-70.1	176.7	0	0	0	112.1	H310 F311 H317 V416 W421	H310-L313 HydrophobicContact CB-CD1 4.05Å; H310-L313 WeakPolarHBondContact O-CB 2.89Å; H310-L313 PolarHBondContact O-N 3Å; F311-L313 PolarHBondContact O-N 3.29Å; F311-L313 VanDerWaalsContact O-N 3.09Å; L313-H317 WeakPolarHBondContact O-CB 3.1Å; L313-H317 PolarHBondContact O-ND1 3.28Å; L313-V416 HydrophobicContact CD1-CG2 3.97Å; L313-W421 HydrophobicContact CD1-CB 4.47Å; L313-W421 HydrophobicContact CD2-CB 3.7Å; L313-W421 HydrophobicContact CD2-CD2 4.19Å; L313-W421 HydrophobicContact CD2-CG 3.65Å
314	N	98.8	Very high	98.6	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-71.9	-65.6	169.1	-65.6	17.3	0	0	0	107.8	Y197 N305 F311 W312 G316 H317 T318	Y197-N314 PolarHBondContact OH-ND2 3.43Å; N305-N314 WeakPolarHBondContact CB-OD1 3.35Å; N305-N314 PolarHBondContact N-OD1 3.29Å; N305-N314 PolarHBondContact OD1-ND2 3.2Å; N305-N314 PolarHBondContact OD1-OD1 2.89Å; N305-N314 VanDerWaalsContact OD1-OD1 3.05Å; F311-N314 HydrophobicContact CD2-CB 4.41Å; F311-N314 HydrophobicContact CE2-CB 4.48Å; F311-N314 WeakPolarHBondContact O-CB 3.39Å; F311-N314 PolarHBondContact O-N 3.08Å; W312-N314 VanDerWaalsContact C-N 3.28Å; W312-N314 PolarHBondContact O-N 2.96Å; N314-G316 PolarHBondContact O-N 3.38Å; N314-H317 PolarHBondContact O-N 2.94Å; N314-T318 WeakPolarHBondContact O-CB 3.42Å; N314-T318 PolarHBondContact O-N 2.8Å; N314-T318 PolarHBondContact O-OG1 3.22Å
315	E	98.7	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-68.1	-44.4	-164.9	-58.1	-49	143.4	0	0	114.5	H292 H296 F311 H317 T318 V319 Y380	H292-E315 IonicContact CE1-OE2 2.82Å; H292-E315 IonicContact NE2-OE2 2.76Å; H296-E315 IonicContact CE1-OE1 3.43Å; H296-E315 PolarHBondContact CE1-OE1 3.47Å; H296-E315 VanDerWaalsContact CE1-OE1 3.3Å; H296-E315 IonicContact CE1-OE2 3.69Å; H296-E315 PolarHBondContact CE1-OE2 2.81Å; H296-E315 IonicContact NE2-OE1 3.39Å; H296-E315 IonicContact NE2-OE2 3.99Å; H296-E315 PolarHBondContact NE2-OE2 3.12Å; F311-E315 HydrophobicContact CD1-CG 3.95Å; F311-E315 HydrophobicContact CD2-CG 4.27Å; F311-E315 HydrophobicContact CE1-CG 3.45Å; F311-E315 VanDerWaalsContact CE1-CG 3.45Å; F311-E315 HydrophobicContact CE2-CG 3.8Å; F311-E315 WeakPolarHBondContact CE2-OE1 3.43Å; F311-E315 HydrophobicContact CG-CG 4.33Å; F311-E315 HydrophobicContact CZ-CG 3.37Å; F311-E315 WeakPolarHBondContact CZ-OE1 3.44Å; F311-E315 PolarHBondContact O-N 2.59Å; E315-H317 VanDerWaalsContact C-N 3.33Å; E315-H317 PolarHBondContact O-N 2.98Å; E315-T318 PolarHBondContact O-N 3.2Å; E315-V319 WeakPolarHBondContact O-CB 3.39Å; E315-V319 VanDerWaalsContact O-CG2 3.29Å; E315-V319 WeakPolarHBondContact O-CG2 3.41Å; E315-V319 PolarHBondContact O-N 3.4Å; E315-Y380 HydrophobicContact CB-CD1 3.81Å; E315-Y380 HydrophobicContact CB-CD2 4.04Å; E315-Y380 HydrophobicContact CB-CE1 4.09Å; E315-Y380 HydrophobicContact CB-CE2 4.24Å; E315-Y380 HydrophobicContact CB-CG 3.78Å; E315-Y380 VanDerWaalsContact CD-CE1 3.45Å; E315-Y380 VanDerWaalsContact CD-CZ 3.43Å; E315-Y380 HydrophobicContact CG-CD1 4.08Å; E315-Y380 HydrophobicContact CG-CD2 4.02Å; E315-Y380 HydrophobicContact CG-CE1 3.83Å; E315-Y380 HydrophobicContact CG-CE2 3.71Å; E315-Y380 HydrophobicContact CG-CG 4.17Å; E315-Y380 WeakPolarHBondContact OE2-CD1 3.1Å; E315-Y380 WeakPolarHBondContact OE2-CE1 3.43Å; E315-Y380 VanDerWaalsContact OE2-CZ 3.31Å
316	G	98.8	Very high	98.5	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61	-43.5	179.1	0	0	0	0	0	111.9	W312 N314 Y320 L387	W312-G316 WeakPolarHBondContact O-CA 3.4Å; W312-G316 PolarHBondContact O-N 3.39Å; N314-G316 PolarHBondContact O-N 3.38Å; G316-Y320 WeakPolarHBondContact O-CB 3.37Å; G316-Y320 PolarHBondContact O-N 2.89Å; G316-L387 WeakPolarHBondContact O-CD1 3.3Å
317	H	98.9	Very high	98.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-72.4	-36.1	177.2	-69.9	86.3	0	0	0	112.3	T299 L313 N314 E315 Y320 L321 L387 W421	T299-H317 HydrophobicContact CG2-CB 3.59Å; L313-H317 WeakPolarHBondContact O-CB 3.1Å; L313-H317 PolarHBondContact O-ND1 3.28Å; N314-H317 PolarHBondContact O-N 2.94Å; E315-H317 VanDerWaalsContact C-N 3.33Å; E315-H317 PolarHBondContact O-N 2.98Å; H317-Y320 WeakPolarHBondContact O-CB 3.48Å; H317-Y320 PolarHBondContact O-N 3.07Å; H317-L321 WeakPolarHBondContact O-CB 3.46Å; H317-L321 PolarHBondContact O-N 3.49Å; H317-L387 HydrophobicContact CB-CD1 4.23Å; H317-W421 AromaticContact CE1-CD1 3.49Å; H317-W421 VanDerWaalsContact CE1-CD1 3.49Å; H317-W421 AromaticContact CE1-CE2 3.91Å; H317-W421 AromaticContact CE1-NE1 3.13Å; H317-W421 PolarHBondContact CE1-NE1 3.34Å; H317-W421 AromaticContact NE2-CD1 3.53Å; H317-W421 AromaticContact NE2-CE2 3.88Å; H317-W421 AromaticContact NE2-NE1 2.9Å; H317-W421 PolarHBondContact NE2-NE1 3.1Å
318	T	98.9	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.1	-48.9	174.6	-65.5	0	0	0	0	111.1	H292 H296 T299 N314 E315 Y320 L321 E322	H292-T318 WeakPolarHBondContact O-CG2 3.32Å; H296-T318 PolarHBondContact CE1-OG1 3.13Å; H296-T318 VanDerWaalsContact CE1-OG1 3.24Å; H296-T318 PolarHBondContact ND1-OG1 3.4Å; T299-T318 PolarHBondContact O-OG1 2.98Å; T299-T318 WeakPolarHBondContact OG1-CA 3.36Å; T299-T318 PolarHBondContact OG1-N 2.88Å; T299-T318 PolarHBondContact OG1-OG1 3.21Å; N314-T318 WeakPolarHBondContact O-CB 3.42Å; N314-T318 PolarHBondContact O-N 2.8Å; N314-T318 PolarHBondContact O-OG1 3.22Å; E315-T318 PolarHBondContact O-N 3.2Å; T318-Y320 VanDerWaalsContact C-N 3.25Å; T318-Y320 PolarHBondContact O-N 2.94Å; T318-L321 PolarHBondContact O-N 3.24Å; T318-L321 VanDerWaalsContact O-N 3.17Å; T318-E322 VanDerWaalsContact O-CB 3.27Å; T318-E322 WeakPolarHBondContact O-CB 3.44Å; T318-E322 PolarHBondContact O-N 3.44Å
319	V	98.8	Very high	98.4	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.018	8%	0.082	C	C	.	.	H	α-helix	trans	-61.9	-36.5	176.2	175.3	0	0	0	0	111	E315 R323 Y380 F384	E315-V319 WeakPolarHBondContact O-CB 3.39Å; E315-V319 VanDerWaalsContact O-CG2 3.29Å; E315-V319 WeakPolarHBondContact O-CG2 3.41Å; E315-V319 PolarHBondContact O-N 3.4Å; V319-R323 HydrophobicContact CG1-CG 4.45Å; V319-R323 VanDerWaalsContact O-CB 3.27Å; V319-R323 WeakPolarHBondContact O-CB 3.44Å; V319-R323 VanDerWaalsContact O-CG 3.26Å; V319-R323 WeakPolarHBondContact O-CG 3.45Å; V319-R323 PolarHBondContact O-N 2.85Å; V319-Y380 HydrophobicContact CG2-CD1 4Å; V319-F384 HydrophobicContact CB-CB 4.18Å; V319-F384 HydrophobicContact CG1-CB 3.78Å; V319-F384 HydrophobicContact CG1-CD2 3.83Å; V319-F384 HydrophobicContact CG1-CG 3.92Å
320	Y	98.9	Very high	98.3	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-62	-49	173.6	-177.1	-91.9	0	0	0	111.8	G316 H317 T318 R323 M324 F384 L387 E391 F400 M401 V404	G316-Y320 WeakPolarHBondContact O-CB 3.37Å; G316-Y320 PolarHBondContact O-N 2.89Å; H317-Y320 WeakPolarHBondContact O-CB 3.48Å; H317-Y320 PolarHBondContact O-N 3.07Å; T318-Y320 VanDerWaalsContact C-N 3.25Å; T318-Y320 PolarHBondContact O-N 2.94Å; Y320-R323 PolarHBondContact O-N 2.85Å; Y320-M324 HydrophobicContact CD1-CG 4.27Å; Y320-M324 HydrophobicContact CE1-CG 3.88Å; Y320-M324 VanDerWaalsContact O-CG 3.27Å; Y320-M324 WeakPolarHBondContact O-CG 3.34Å; Y320-M324 PolarHBondContact O-N 3.22Å; Y320-F384 HydrophobicContact CD2-CD2 4.36Å; Y320-F384 HydrophobicContact CD2-CE2 4.23Å; Y320-L387 HydrophobicContact CD2-CB 3.93Å; Y320-L387 HydrophobicContact CG-CB 4.35Å; Y320-L387 HydrophobicContact CG-CD1 4.28Å; Y320-E391 WeakPolarHBondContact CE2-OE2 3.36Å; Y320-E391 PolarHBondContact OH-OE2 3.16Å; Y320-F400 HydrophobicContact CE1-CD1 4.09Å; Y320-F400 HydrophobicContact CE2-CD1 4.02Å; Y320-F400 HydrophobicContact CE2-CE1 4.38Å; Y320-F400 AromaticContact CZ-CD1 3.61Å; Y320-F400 WeakPolarHBondContact OH-CD1 3.47Å; Y320-M401 HydrophobicContact CE1-SD 4.11Å; Y320-V404 HydrophobicContact CD1-CG2 4.05Å; Y320-V404 HydrophobicContact CE1-CG2 3.84Å
321	L	98.9	Very high	98.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.3	-40.5	179.3	-176.8	57.3	0	0	0	112.3	L244 A245 S295 W298 H317 T318 R323 M324 I325 M401	L244-L321 HydrophobicContact CB-CD1 3.86Å; L244-L321 HydrophobicContact CD1-CD1 4Å; A245-L321 HydrophobicContact CB-CD1 4.44Å; A245-L321 HydrophobicContact CB-CD2 3.88Å; S295-L321 WeakPolarHBondContact OG-CG 3.39Å; W298-L321 HydrophobicContact CE3-CD2 4.44Å; H317-L321 WeakPolarHBondContact O-CB 3.46Å; H317-L321 PolarHBondContact O-N 3.49Å; T318-L321 PolarHBondContact O-N 3.24Å; T318-L321 VanDerWaalsContact O-N 3.17Å; L321-R323 VanDerWaalsContact C-N 3.33Å; L321-R323 PolarHBondContact O-N 3.41Å; L321-M324 CarbonylContact O-C 3.49Å; L321-M324 WeakPolarHBondContact O-CA 3.43Å; L321-M324 WeakPolarHBondContact O-CB 3.49Å; L321-M324 PolarHBondContact O-N 2.91Å; L321-M324 VanDerWaalsContact O-N 3.1Å; L321-I325 HydrophobicContact CG-CD1 4.47Å; L321-I325 WeakPolarHBondContact O-CG1 3.26Å; L321-I325 PolarHBondContact O-N 3.39Å; L321-M401 HydrophobicContact CD1-CE 3.98Å; L321-M401 HydrophobicContact CD1-SD 4.35Å
322	E	98.7	Very high	98.2	Very high	28 Å²	28	25 Å²	25	13%	0.131	12%	0.118	C	C	.	.	H	α-helix	trans	-52.7	-51.6	171.9	177.1	-156.8	149.4	0	0	110.4	A291 H292 S295 T318 M324 I325 G326	A291-E322 HydrophobicContact CB-CG 4.23Å; H292-E322 HydrophobicContact CB-CB 4.47Å; H292-E322 HydrophobicContact CB-CG 4.07Å; H292-E322 IonicContact CE1-OE2 2.82Å; H292-E322 IonicContact CG-OE2 2.77Å; H292-E322 IonicContact ND1-OE2 3.85Å; H292-E322 PolarHBondContact ND1-OE2 2.83Å; S295-E322 PolarHBondContact OG-N 3.01Å; T318-E322 VanDerWaalsContact O-CB 3.27Å; T318-E322 WeakPolarHBondContact O-CB 3.44Å; T318-E322 PolarHBondContact O-N 3.44Å; E322-M324 VanDerWaalsContact C-N 3.28Å; E322-M324 PolarHBondContact O-N 3.02Å; E322-I325 WeakPolarHBondContact O-CB 3.26Å; E322-I325 PolarHBondContact O-N 3.36Å; E322-G326 PolarHBondContact O-N 2.82Å
323	R	98.6	Very high	98.1	Very high	11 Å²	11	29.5 Å²	29.5	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-67.8	-29.5	-179.9	-75.3	176.6	-178.5	164.9	8.9	111.9	V319 Y320 L321 G326 R327 R335 K338 E381 F384	V319-R323 HydrophobicContact CG1-CG 4.45Å; V319-R323 VanDerWaalsContact O-CB 3.27Å; V319-R323 WeakPolarHBondContact O-CB 3.44Å; V319-R323 VanDerWaalsContact O-CG 3.26Å; V319-R323 WeakPolarHBondContact O-CG 3.45Å; V319-R323 PolarHBondContact O-N 2.85Å; Y320-R323 PolarHBondContact O-N 2.85Å; L321-R323 VanDerWaalsContact C-N 3.33Å; L321-R323 PolarHBondContact O-N 3.41Å; R323-G326 PolarHBondContact O-N 3.36Å; R323-R327 WeakPolarHBondContact O-CB 3.47Å; R323-R327 PolarHBondContact O-N 3.44Å; R323-R335 HydrophobicContact CB-CG 3.96Å; R323-R335 WeakPolarHBondContact O-CG 3.42Å; R323-K338 HydrophobicContact CG-CB 4.32Å; R323-K338 PolarHBondContact NH2-O 2.93Å; R323-E381 IonicContact CZ-OE1 3.75Å; R323-E381 IonicContact CZ-OE2 3.43Å; R323-E381 IonicContact NH1-OE2 3.97Å; R323-E381 PolarHBondContact NH1-OE2 3.05Å; R323-E381 IonicContact NH2-OE1 3.3Å; R323-E381 PolarHBondContact NH2-OE1 2.77Å; R323-E381 IonicContact NH2-OE2 3.44Å; R323-E381 PolarHBondContact NH2-OE2 3.34Å; R323-F384 HydrophobicContact CB-CE2 4.23Å; R323-F384 HydrophobicContact CG-CE2 4.36Å
324	M	98.7	Very high	98	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.02	15%	0.146	C	C	.	.	H	α-helix	trans	-73.1	-33.3	171.9	-72.7	-64	-69.3	0	0	113.2	L244 Y320 L321 E322 R327 R328 P397 M401	L244-M324 HydrophobicContact CD1-CB 4.09Å; Y320-M324 HydrophobicContact CD1-CG 4.27Å; Y320-M324 HydrophobicContact CE1-CG 3.88Å; Y320-M324 VanDerWaalsContact O-CG 3.27Å; Y320-M324 WeakPolarHBondContact O-CG 3.34Å; Y320-M324 PolarHBondContact O-N 3.22Å; L321-M324 CarbonylContact O-C 3.49Å; L321-M324 WeakPolarHBondContact O-CA 3.43Å; L321-M324 WeakPolarHBondContact O-CB 3.49Å; L321-M324 PolarHBondContact O-N 2.91Å; L321-M324 VanDerWaalsContact O-N 3.1Å; E322-M324 VanDerWaalsContact C-N 3.28Å; E322-M324 PolarHBondContact O-N 3.02Å; M324-R327 WeakPolarHBondContact O-CB 3.37Å; M324-R327 PolarHBondContact O-N 2.93Å; M324-R328 WeakPolarHBondContact O-CG 3.42Å; M324-R328 PolarHBondContact O-N 2.98Å; M324-R328 VanDerWaalsContact O-N 3.11Å; M324-P397 HydrophobicContact CE-CB 4.09Å; M324-P397 HydrophobicContact SD-CB 4.18Å; M324-M401 HydrophobicContact CE-CB 4.26Å; M324-M401 HydrophobicContact CE-CG 4.38Å; M324-M401 HydrophobicContact CE-SD 4.47Å; M324-M401 HydrophobicContact CG-SD 4.43Å
325	I	98.6	Very high	98	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-49.1	168.3	-66.4	163.8	0	0	0	108.9	M237 T240 A241 L244 A291 I294 S295 L321 E322 R327 R328 M329	M237-I325 HydrophobicContact CB-CG2 4.45Å; M237-I325 HydrophobicContact CG-CG2 4.42Å; T240-I325 HydrophobicContact CG2-CB 4.32Å; T240-I325 HydrophobicContact CG2-CG1 4.27Å; T240-I325 HydrophobicContact CG2-CG2 4.06Å; A241-I325 HydrophobicContact CB-CD1 3.75Å; A241-I325 HydrophobicContact CB-CG1 4.29Å; L244-I325 HydrophobicContact CD1-CG1 4Å; A291-I325 HydrophobicContact CB-CD1 4.41Å; A291-I325 HydrophobicContact CB-CG2 4.16Å; I294-I325 HydrophobicContact CG2-CD1 4.49Å; S295-I325 WeakPolarHBondContact OG-CD1 3.42Å; L321-I325 HydrophobicContact CG-CD1 4.47Å; L321-I325 WeakPolarHBondContact O-CG1 3.26Å; L321-I325 PolarHBondContact O-N 3.39Å; E322-I325 WeakPolarHBondContact O-CB 3.26Å; E322-I325 PolarHBondContact O-N 3.36Å; I325-R327 VanDerWaalsContact C-N 3.28Å; I325-R327 PolarHBondContact O-N 3.23Å; I325-R328 PolarHBondContact O-N 3.44Å; I325-M329 HydrophobicContact CG2-CG 4.43Å; I325-M329 HydrophobicContact CG2-SD 3.75Å; I325-M329 WeakPolarHBondContact O-CG 3.33Å; I325-M329 PolarHBondContact O-N 3Å
326	G	97.2	Very high	97.9	Very high	12 Å²	12	31.4 Å²	31.4	12%	0.124	15%	0.148	C	C	.	.	H	α-helix	trans	-55.2	-42	174.3	0	0	0	0	0	112.6	E322 R323 R328 M329 E330	E322-G326 PolarHBondContact O-N 2.82Å; R323-G326 PolarHBondContact O-N 3.36Å; G326-R328 VanDerWaalsContact C-N 3.32Å; G326-R328 PolarHBondContact O-N 2.97Å; G326-M329 PolarHBondContact O-N 3.2Å; G326-E330 WeakPolarHBondContact O-CB 3.35Å; G326-E330 PolarHBondContact O-N 3.31Å
327	R	97.7	Very high	97.8	Very high	53 Å²	53	32 Å²	32	20%	0.2	15%	0.151	C	C	.	.	H	α-helix	trans	-57.6	-42.6	173.6	-173.7	-173.7	-175.9	-139.5	-5.4	112.9	R323 M324 I325 G331 E332 R335 P397 E398	R323-R327 WeakPolarHBondContact O-CB 3.47Å; R323-R327 PolarHBondContact O-N 3.44Å; M324-R327 WeakPolarHBondContact O-CB 3.37Å; M324-R327 PolarHBondContact O-N 2.93Å; I325-R327 VanDerWaalsContact C-N 3.28Å; I325-R327 PolarHBondContact O-N 3.23Å; R327-G331 WeakPolarHBondContact CA-O 3.41Å; R327-G331 CarbonylContact O-C 3.45Å; R327-G331 WeakPolarHBondContact O-CA 3.38Å; R327-G331 PolarHBondContact O-N 3.28Å; R327-E332 WeakPolarHBondContact CD-OE2 3.37Å; R327-E332 WeakPolarHBondContact CG-OE2 3.4Å; R327-E332 IonicContact CZ-OE2 2.66Å; R327-E332 IonicContact NE-OE2 3.73Å; R327-E332 PolarHBondContact NE-OE2 3.48Å; R327-R335 HydrophobicContact CB-CB 3.97Å; R327-R335 HydrophobicContact CB-CG 4.33Å; R327-R335 HydrophobicContact CG-CB 4.38Å; R327-P397 VanDerWaalsContact CZ-CG 3.42Å; R327-P397 VanDerWaalsContact NH1-CB 3.33Å; R327-P397 VanDerWaalsContact NH1-CG 3.31Å; R327-E398 IonicContact CZ-OE1 2.97Å; R327-E398 VanDerWaalsContact CZ-OE1 3.22Å; R327-E398 IonicContact NH1-OE1 3.05Å; R327-E398 PolarHBondContact NH1-OE1 2.93Å; R327-E398 IonicContact NH2-OE1 3.16Å; R327-E398 PolarHBondContact NH2-OE1 2.9Å
328	R	98	Very high	97.7	Very high	140 Å²	140	35.1 Å²	35.1	53%	0.528	16%	0.164	S	C	.	.	H	α-helix	trans	-73.7	-30.4	-177.9	-71.3	-72.7	-73.1	-101.9	-7.3	112.4	T240 D243 L244 M324 I325 G326	T240-R328 HydrophobicContact CG2-CB 3.56Å; T240-R328 HydrophobicContact CG2-CG 4.07Å; D243-R328 IonicContact OD2-NH2 3.76Å; L244-R328 HydrophobicContact CD1-CG 4.35Å; L244-R328 HydrophobicContact CD2-CG 4.44Å; M324-R328 WeakPolarHBondContact O-CG 3.42Å; M324-R328 PolarHBondContact O-N 2.98Å; M324-R328 VanDerWaalsContact O-N 3.11Å; I325-R328 PolarHBondContact O-N 3.44Å; G326-R328 VanDerWaalsContact C-N 3.32Å; G326-R328 PolarHBondContact O-N 2.97Å
329	M	95.9	Very high	97.6	Very high	61 Å²	61	35.1 Å²	35.1	30%	0.3	16%	0.164	S	C	.	.	H	α-helix	trans	-86.5	-42.6	-179.5	-66.6	-179.9	64.1	0	0	112.6	T236 M237 I325 G326	T236-M329 HydrophobicContact CG2-CE 4.35Å; M237-M329 HydrophobicContact CE-CE 4.2Å; M237-M329 HydrophobicContact CG-CE 4.09Å; M237-M329 HydrophobicContact CG-SD 3.7Å; I325-M329 HydrophobicContact CG2-CG 4.43Å; I325-M329 HydrophobicContact CG2-SD 3.75Å; I325-M329 WeakPolarHBondContact O-CG 3.33Å; I325-M329 PolarHBondContact O-N 3Å; G326-M329 PolarHBondContact O-N 3.2Å
330	E	95.8	Very high	97.4	Very high	130 Å²	130	36 Å²	36	61%	0.607	17%	0.169	S	C	*	.	H	α-helix	trans	-118.1	-15	-168.6	-60.2	-68.1	174.7	0	0	113.7	G326 F334	G326-E330 WeakPolarHBondContact O-CB 3.35Å; G326-E330 PolarHBondContact O-N 3.31Å; E330-F334 HydrophobicContact CB-CB 3.63Å; E330-F334 HydrophobicContact CB-CD1 3.64Å; E330-F334 HydrophobicContact CB-CD2 4.3Å; E330-F334 HydrophobicContact CB-CE1 4.36Å; E330-F334 HydrophobicContact CB-CG 3.59Å; E330-F334 HydrophobicContact CG-CD1 3.94Å; E330-F334 HydrophobicContact CG-CE1 4.16Å; E330-F334 HydrophobicContact CG-CG 4.17Å
331	G	97.3	Very high	97.1	Very high	23 Å²	23	36.8 Å²	36.8	24%	0.237	18%	0.177	C	C	.	.			trans	105	171.3	178.5	0	0	0	0	0	115.1	R327 Q333 F334 R335	R327-G331 WeakPolarHBondContact CA-O 3.41Å; R327-G331 CarbonylContact O-C 3.45Å; R327-G331 WeakPolarHBondContact O-CA 3.38Å; R327-G331 PolarHBondContact O-N 3.28Å; G331-Q333 PolarHBondContact O-N 2.96Å; G331-F334 PolarHBondContact O-N 2.92Å; G331-R335 PolarHBondContact O-N 3.26Å
332	E	97.6	Very high	96.9	Very high	54 Å²	54	36.9 Å²	36.9	25%	0.252	18%	0.178	S	C	.	.	H	α-helix	trans	-64.5	-40.4	-174.5	178.6	58.1	-167.3	0	0	112.9	R327 F334 R335 Q336	R327-E332 WeakPolarHBondContact CD-OE2 3.37Å; R327-E332 WeakPolarHBondContact CG-OE2 3.4Å; R327-E332 IonicContact CZ-OE2 2.66Å; R327-E332 IonicContact NE-OE2 3.73Å; R327-E332 PolarHBondContact NE-OE2 3.48Å; E332-F334 PolarHBondContact O-N 2.87Å; E332-R335 WeakPolarHBondContact O-CB 3.33Å; E332-R335 PolarHBondContact O-N 3.39Å; E332-R335 VanDerWaalsContact O-N 3.09Å; E332-R335 IonicContact OE1-CZ 3.24Å; E332-R335 IonicContact OE1-NE 3.56Å; E332-R335 PolarHBondContact OE1-NE 3.5Å; E332-R335 IonicContact OE1-NH2 3.89Å; E332-R335 PolarHBondContact OE1-NH2 3.43Å; E332-R335 IonicContact OE2-CZ 2.84Å; E332-R335 IonicContact OE2-NE 3.78Å; E332-R335 PolarHBondContact OE2-NE 2.95Å; E332-R335 IonicContact OE2-NH2 3.77Å; E332-Q336 HydrophobicContact CG-CG 4.31Å; E332-Q336 VanDerWaalsContact O-CG 3.29Å; E332-Q336 WeakPolarHBondContact O-CG 3.37Å; E332-Q336 PolarHBondContact O-N 3.46Å; E332-Q336 PolarHBondContact OE1-NE2 2.78Å
333	Q	97.4	Very high	96.7	Very high	95 Å²	95	37 Å²	37	44%	0.444	18%	0.177	S	C	.	.	H	α-helix	trans	-61.7	-33.7	179	-63.6	86.2	-13.6	0	0	111.6	G331 Q336 F337 L461	G331-Q333 PolarHBondContact O-N 2.96Å; Q333-Q336 PolarHBondContact O-N 2.93Å; Q333-F337 VanDerWaalsContact O-CB 3.28Å; Q333-F337 WeakPolarHBondContact O-CB 3.46Å; Q333-F337 PolarHBondContact O-N 3.23Å; Q333-L461 HydrophobicContact CB-CD1 4.04Å; Q333-L461 HydrophobicContact CB-CG 4.02Å
334	F	96.4	Very high	96.4	Very high	32 Å²	32	37.8 Å²	37.8	14%	0.14	18%	0.181	C	C	.	.	H	α-helix	trans	-67.4	-42.7	174.6	-175.2	-102.7	0	0	0	111.8	E330 G331 E332 Q336 F337 K338 L461 H494	E330-F334 HydrophobicContact CB-CB 3.63Å; E330-F334 HydrophobicContact CB-CD1 3.64Å; E330-F334 HydrophobicContact CB-CD2 4.3Å; E330-F334 HydrophobicContact CB-CE1 4.36Å; E330-F334 HydrophobicContact CB-CG 3.59Å; E330-F334 HydrophobicContact CG-CD1 3.94Å; E330-F334 HydrophobicContact CG-CE1 4.16Å; E330-F334 HydrophobicContact CG-CG 4.17Å; G331-F334 PolarHBondContact O-N 2.92Å; E332-F334 PolarHBondContact O-N 2.87Å; F334-Q336 VanDerWaalsContact C-N 3.32Å; F334-Q336 PolarHBondContact O-N 3.29Å; F334-F337 WeakPolarHBondContact O-CB 3.27Å; F334-F337 PolarHBondContact O-N 3.15Å; F334-K338 HydrophobicContact CD1-CG 4.19Å; F334-K338 HydrophobicContact CE1-CD 4.28Å; F334-K338 HydrophobicContact CE1-CG 3.83Å; F334-K338 HydrophobicContact CE2-CD 4.42Å; F334-K338 HydrophobicContact CE2-CG 4.4Å; F334-K338 HydrophobicContact CZ-CD 3.95Å; F334-K338 HydrophobicContact CZ-CG 3.95Å; F334-K338 WeakPolarHBondContact O-CG 3.11Å; F334-K338 PolarHBondContact O-N 2.9Å; F334-L461 HydrophobicContact CB-CD1 4.32Å; F334-H494 HydrophobicContact CE2-CB 4.47Å; F334-H494 AromaticContact CE2-CD2 3.55Å; F334-H494 AromaticContact CE2-CG 3.92Å; F334-H494 AromaticContact CE2-NE2 3.83Å; F334-H494 AromaticContact CZ-CD2 3.99Å; F334-H494 AromaticContact CZ-NE2 3.76Å
335	R	97.4	Very high	96	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.011	20%	0.196	C	C	.	.	H	α-helix	trans	-55.8	-48.7	173.8	-171.8	-178.3	69.8	124.1	0.1	111.4	R323 R327 G331 E332 K338 A339 E391	R323-R335 HydrophobicContact CB-CG 3.96Å; R323-R335 WeakPolarHBondContact O-CG 3.42Å; R327-R335 HydrophobicContact CB-CB 3.97Å; R327-R335 HydrophobicContact CB-CG 4.33Å; R327-R335 HydrophobicContact CG-CB 4.38Å; G331-R335 PolarHBondContact O-N 3.26Å; E332-R335 WeakPolarHBondContact O-CB 3.33Å; E332-R335 PolarHBondContact O-N 3.39Å; E332-R335 VanDerWaalsContact O-N 3.09Å; E332-R335 IonicContact OE1-CZ 3.24Å; E332-R335 IonicContact OE1-NE 3.56Å; E332-R335 PolarHBondContact OE1-NE 3.5Å; E332-R335 IonicContact OE1-NH2 3.89Å; E332-R335 PolarHBondContact OE1-NH2 3.43Å; E332-R335 IonicContact OE2-CZ 2.84Å; E332-R335 IonicContact OE2-NE 3.78Å; E332-R335 PolarHBondContact OE2-NE 2.95Å; E332-R335 IonicContact OE2-NH2 3.77Å; R335-K338 PolarHBondContact O-N 3.33Å; R335-A339 PolarHBondContact O-N 2.93Å; R335-E391 IonicContact CZ-OE1 3.65Å; R335-E391 VanDerWaalsContact CZ-OE1 3.3Å; R335-E391 IonicContact CZ-OE2 3.67Å; R335-E391 VanDerWaalsContact NH1-CD 3.31Å; R335-E391 IonicContact NH1-OE1 2.92Å; R335-E391 PolarHBondContact NH1-OE1 2.73Å; R335-E391 IonicContact NH1-OE2 2.9Å; R335-E391 PolarHBondContact NH1-OE2 2.94Å; R335-E391 IonicContact NH2-OE1 3.41Å; R335-E391 PolarHBondContact NH2-OE1 3.44Å
336	Q	97.3	Very high	95.9	Very high	9 Å²	9	40.6 Å²	40.6	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-43.5	179.2	-65.8	-68.7	-26.5	0	0	111.6	E332 Q333 F334 K338 A339 I340 Y388 D458	E332-Q336 HydrophobicContact CG-CG 4.31Å; E332-Q336 VanDerWaalsContact O-CG 3.29Å; E332-Q336 WeakPolarHBondContact O-CG 3.37Å; E332-Q336 PolarHBondContact O-N 3.46Å; E332-Q336 PolarHBondContact OE1-NE2 2.78Å; Q333-Q336 PolarHBondContact O-N 2.93Å; F334-Q336 VanDerWaalsContact C-N 3.32Å; F334-Q336 PolarHBondContact O-N 3.29Å; Q336-K338 PolarHBondContact O-N 3.31Å; Q336-A339 WeakPolarHBondContact O-CB 3.35Å; Q336-A339 PolarHBondContact O-N 3.02Å; Q336-A339 VanDerWaalsContact O-N 3.14Å; Q336-I340 WeakPolarHBondContact O-CG1 3.49Å; Q336-I340 PolarHBondContact O-N 2.98Å; Q336-Y388 PolarHBondContact NE2-OH 3.33Å; Q336-Y388 PolarHBondContact OE1-OH 2.89Å; Q336-Y388 VanDerWaalsContact OE1-OH 3.13Å; Q336-D458 HydrophobicContact CB-CB 3.96Å; Q336-D458 HydrophobicContact CG-CB 3.88Å
337	F	96.9	Very high	95.7	Very high	13 Å²	13	43 Å²	43	6%	0.057	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-43.7	175.5	-177.4	-98.3	0	0	0	112.6	Q333 F334 A339 I340 G341 L461 A462 H494 Q495 E498	Q333-F337 VanDerWaalsContact O-CB 3.28Å; Q333-F337 WeakPolarHBondContact O-CB 3.46Å; Q333-F337 PolarHBondContact O-N 3.23Å; F334-F337 WeakPolarHBondContact O-CB 3.27Å; F334-F337 PolarHBondContact O-N 3.15Å; F337-A339 VanDerWaalsContact C-N 3.34Å; F337-A339 PolarHBondContact O-N 3.47Å; F337-I340 PolarHBondContact O-N 2.76Å; F337-G341 PolarHBondContact O-N 3.43Å; F337-G341 VanDerWaalsContact O-N 3.14Å; F337-L461 HydrophobicContact CB-CB 4.02Å; F337-L461 HydrophobicContact CB-CD1 4.05Å; F337-L461 HydrophobicContact CD2-CB 3.59Å; F337-L461 HydrophobicContact CE2-CB 4.27Å; F337-L461 HydrophobicContact CG-CB 3.95Å; F337-L461 HydrophobicContact CG-CD1 4.42Å; F337-A462 HydrophobicContact CD2-CB 4.07Å; F337-A462 HydrophobicContact CE2-CB 4.12Å; F337-H494 HydrophobicContact CE1-CB 3.87Å; F337-Q495 HydrophobicContact CE2-CG 4.4Å; F337-Q495 HydrophobicContact CZ-CG 4.18Å; F337-E498 HydrophobicContact CE1-CB 4.38Å; F337-E498 HydrophobicContact CE2-CB 4.03Å; F337-E498 HydrophobicContact CE2-CG 3.82Å; F337-E498 HydrophobicContact CZ-CB 3.44Å; F337-E498 VanDerWaalsContact CZ-CB 3.44Å; F337-E498 HydrophobicContact CZ-CG 3.76Å
338	K	96.1	Very high	95.3	Very high	64 Å²	64	44 Å²	44	28%	0.278	21%	0.214	S	C	.	.	H	α-helix	trans	-64.8	-37.1	174.7	-67.1	-67.9	-64.2	-175.1	0	112.1	R323 F334 R335 Q336 G341 G342	R323-K338 HydrophobicContact CG-CB 4.32Å; R323-K338 PolarHBondContact NH2-O 2.93Å; F334-K338 HydrophobicContact CD1-CG 4.19Å; F334-K338 HydrophobicContact CE1-CD 4.28Å; F334-K338 HydrophobicContact CE1-CG 3.83Å; F334-K338 HydrophobicContact CE2-CD 4.42Å; F334-K338 HydrophobicContact CE2-CG 4.4Å; F334-K338 HydrophobicContact CZ-CD 3.95Å; F334-K338 HydrophobicContact CZ-CG 3.95Å; F334-K338 WeakPolarHBondContact O-CG 3.11Å; F334-K338 PolarHBondContact O-N 2.9Å; R335-K338 PolarHBondContact O-N 3.33Å; Q336-K338 PolarHBondContact O-N 3.31Å; K338-G341 PolarHBondContact O-N 2.84Å; K338-G342 PolarHBondContact O-N 3.48Å
339	A	97	Very high	95	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-38.6	175.1	0	0	0	0	0	112.9	R335 Q336 F337 G342 W343 F384 Y457	R335-A339 PolarHBondContact O-N 2.93Å; Q336-A339 WeakPolarHBondContact O-CB 3.35Å; Q336-A339 PolarHBondContact O-N 3.02Å; Q336-A339 VanDerWaalsContact O-N 3.14Å; F337-A339 VanDerWaalsContact C-N 3.34Å; F337-A339 PolarHBondContact O-N 3.47Å; A339-G342 PolarHBondContact O-N 2.73Å; A339-W343 PolarHBondContact O-N 3.13Å; A339-F384 HydrophobicContact CB-CE1 3.64Å; A339-F384 HydrophobicContact CB-CZ 3.74Å; A339-Y457 HydrophobicContact CB-CD1 3.86Å; A339-Y457 HydrophobicContact CB-CE1 3.59Å
340	I	95.1	Very high	94.9	Very high	21 Å²	21	35.6 Å²	35.6	11%	0.108	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-47	173	-69.1	162.6	0	0	0	110.8	Q336 F337 W343 K344 Y457 D458 T459 A462	Q336-I340 WeakPolarHBondContact O-CG1 3.49Å; Q336-I340 PolarHBondContact O-N 2.98Å; F337-I340 PolarHBondContact O-N 2.76Å; I340-W343 PolarHBondContact O-N 3.45Å; I340-K344 PolarHBondContact O-N 2.91Å; I340-Y457 VanDerWaalsContact CG1-CB 3.48Å; I340-Y457 HydrophobicContact CG1-CD2 3.82Å; I340-Y457 HydrophobicContact CG1-CG 3.77Å; I340-D458 WeakPolarHBondContact CD1-O 3.36Å; I340-T459 HydrophobicContact CD1-CG2 4.24Å; I340-A462 HydrophobicContact CD1-CB 4.36Å
341	G	92.1	Very high	94.7	Very high	18 Å²	18	34.4 Å²	34.4	19%	0.186	18%	0.18	C	C	.	.	H	α-helix	trans	-58.7	-46.5	175.6	0	0	0	0	0	112	F337 K338 W343 K344 D345	F337-G341 PolarHBondContact O-N 3.43Å; F337-G341 VanDerWaalsContact O-N 3.14Å; K338-G341 PolarHBondContact O-N 2.84Å; G341-W343 PolarHBondContact O-N 3.43Å; G341-K344 WeakPolarHBondContact O-CB 3.38Å; G341-K344 PolarHBondContact O-N 2.87Å; G341-K344 VanDerWaalsContact O-N 3.09Å; G341-D345 PolarHBondContact O-N 3.03Å
342	G	94.7	Very high	94.3	Very high	2 Å²	2	38.4 Å²	38.4	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-60.6	-39.5	176.7	0	0	0	0	0	114.3	K338 A339 K344 D345 L346 E381	K338-G342 PolarHBondContact O-N 3.48Å; A339-G342 PolarHBondContact O-N 2.73Å; G342-K344 VanDerWaalsContact C-N 3.25Å; G342-K344 PolarHBondContact O-N 3.23Å; G342-D345 PolarHBondContact O-N 3.05Å; G342-L346 PolarHBondContact O-N 3.11Å; G342-E381 WeakPolarHBondContact CA-OE1 3.43Å; G342-E381 WeakPolarHBondContact CA-OE2 3.3Å; G342-E381 WeakPolarHBondContact O-CG 3.39Å
343	W	95.8	Very high	93.9	Very high	29 Å²	29	38.7 Å²	38.7	11%	0.11	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-36	174	-176.7	-86.3	0	0	0	112.5	A339 I340 G341 L346 Q347 A385 M450 P451 K454 Y457	A339-W343 PolarHBondContact O-N 3.13Å; I340-W343 PolarHBondContact O-N 3.45Å; G341-W343 PolarHBondContact O-N 3.43Å; W343-L346 WeakPolarHBondContact O-CB 3.47Å; W343-L346 PolarHBondContact O-N 3.02Å; W343-Q347 PolarHBondContact O-N 3.39Å; W343-Q347 VanDerWaalsContact O-N 3.08Å; W343-A385 HydrophobicContact CE3-CB 4.49Å; W343-A385 HydrophobicContact CZ3-CB 4.27Å; W343-M450 HydrophobicContact CD2-CE 4.13Å; W343-M450 VanDerWaalsContact CE2-CE 3.47Å; W343-M450 HydrophobicContact CH2-CE 4Å; W343-M450 HydrophobicContact CZ2-CE 3.41Å; W343-M450 VanDerWaalsContact CZ2-CE 3.41Å; W343-P451 HydrophobicContact CH2-CB 4.27Å; W343-P451 HydrophobicContact CH2-CG 3.94Å; W343-P451 HydrophobicContact CZ3-CB 4.43Å; W343-P451 HydrophobicContact CZ3-CG 3.86Å; W343-K454 HydrophobicContact CD2-CD 4.48Å; W343-K454 HydrophobicContact CD2-CG 4.16Å; W343-K454 HydrophobicContact CE3-CG 4.39Å; W343-K454 HydrophobicContact CH2-CB 3.6Å; W343-K454 HydrophobicContact CH2-CD 4.5Å; W343-K454 HydrophobicContact CH2-CG 3.75Å; W343-K454 HydrophobicContact CZ2-CB 3.61Å; W343-K454 HydrophobicContact CZ2-CD 3.74Å; W343-K454 HydrophobicContact CZ2-CG 3.48Å; W343-K454 VanDerWaalsContact CZ2-CG 3.48Å; W343-K454 HydrophobicContact CZ3-CB 4.32Å; W343-K454 HydrophobicContact CZ3-CG 4.2Å; W343-Y457 HydrophobicContact CB-CE2 4.18Å; W343-Y457 HydrophobicContact CG-CE2 4.39Å
344	K	91.1	Very high	93.8	Very high	29 Å²	29	35.6 Å²	35.6	13%	0.126	19%	0.194	C	C	.	.	H	α-helix	trans	-70.6	-43.8	175.4	-66.3	171.3	177.5	-175.9	0	111.6	I340 G341 G342 L346 Q347 D348 E498	I340-K344 PolarHBondContact O-N 2.91Å; G341-K344 WeakPolarHBondContact O-CB 3.38Å; G341-K344 PolarHBondContact O-N 2.87Å; G341-K344 VanDerWaalsContact O-N 3.09Å; G342-K344 VanDerWaalsContact C-N 3.25Å; G342-K344 PolarHBondContact O-N 3.23Å; K344-L346 PolarHBondContact O-N 3.34Å; K344-Q347 WeakPolarHBondContact O-CB 3.49Å; K344-Q347 PolarHBondContact O-N 3.42Å; K344-D348 PolarHBondContact O-N 2.94Å; K344-E498 IonicContact NZ-OE1 2.55Å; K344-E498 PolarHBondContact NZ-OE1 3.16Å; K344-E498 IonicContact NZ-OE2 3.3Å; K344-E498 PolarHBondContact NZ-OE2 3.05Å
345	D	91.1	Very high	93.7	Very high	63 Å²	63	36.7 Å²	36.7	34%	0.337	21%	0.209	S	C	.	.	H	α-helix	trans	-60	-33.5	175.3	-72.4	-13	0	0	0	111.4	G341 G342 S349 S377	G341-D345 PolarHBondContact O-N 3.03Å; G342-D345 PolarHBondContact O-N 3.05Å; D345-S349 PolarHBondContact O-N 2.81Å; D345-S349 VanDerWaalsContact O-N 3.16Å; D345-S377 PolarHBondContact O-OG 3.18Å
346	L	95.8	Very high	93.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-47.2	171.3	-178.1	57.6	0	0	0	112	G342 W343 K344 D348 S349 V350 V378 E381 K382 M450 P451	G342-L346 PolarHBondContact O-N 3.11Å; W343-L346 WeakPolarHBondContact O-CB 3.47Å; W343-L346 PolarHBondContact O-N 3.02Å; K344-L346 PolarHBondContact O-N 3.34Å; L346-D348 VanDerWaalsContact C-N 3.3Å; L346-D348 PolarHBondContact O-N 3.01Å; L346-S349 PolarHBondContact O-N 3.31Å; L346-V350 HydrophobicContact CD1-CG2 4.23Å; L346-V350 WeakPolarHBondContact O-CG2 3.49Å; L346-V350 PolarHBondContact O-N 3Å; L346-V378 HydrophobicContact CD1-CB 4.4Å; L346-V378 HydrophobicContact CD1-CG1 4.49Å; L346-V378 HydrophobicContact CD1-CG2 4.16Å; L346-E381 HydrophobicContact CB-CB 3.76Å; L346-E381 HydrophobicContact CD1-CB 4.39Å; L346-E381 HydrophobicContact CD2-CB 4.43Å; L346-E381 HydrophobicContact CG-CB 4.42Å; L346-K382 HydrophobicContact CD1-CB 4.04Å; L346-K382 HydrophobicContact CD2-CB 4.11Å; L346-M450 HydrophobicContact CB-CE 4.49Å; L346-M450 HydrophobicContact CD2-CE 4.07Å; L346-M450 HydrophobicContact CD2-SD 4.4Å; L346-M450 HydrophobicContact CG-CE 4.09Å; L346-M450 HydrophobicContact CG-SD 4Å; L346-P451 HydrophobicContact CD2-CG 3.99Å
347	Q	94.1	Very high	93.6	Very high	64 Å²	64	45.4 Å²	45.4	30%	0.299	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-43	178.7	-173.4	66.7	74.8	0	0	111.4	W343 K344 V350 N351 M450	W343-Q347 PolarHBondContact O-N 3.39Å; W343-Q347 VanDerWaalsContact O-N 3.08Å; K344-Q347 WeakPolarHBondContact O-CB 3.49Å; K344-Q347 PolarHBondContact O-N 3.42Å; Q347-V350 PolarHBondContact O-N 3.19Å; Q347-N351 PolarHBondContact NE2-OD1 3.39Å; Q347-N351 VanDerWaalsContact NE2-OD1 3.08Å; Q347-N351 WeakPolarHBondContact O-CB 3.45Å; Q347-N351 PolarHBondContact O-N 2.96Å; Q347-N351 PolarHBondContact O-ND2 3.28Å; Q347-N351 PolarHBondContact O-OD1 3.06Å; Q347-M450 HydrophobicContact CB-CE 4.13Å; Q347-M450 HydrophobicContact CB-SD 4.25Å
348	D	89.4	Confident	93.6	Very high	74 Å²	74	48.7 Å²	48.7	40%	0.396	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-42.2	178	-75.9	-5.9	0	0	0	111.9	K344 L346 N351 T352	K344-D348 PolarHBondContact O-N 2.94Å; L346-D348 VanDerWaalsContact C-N 3.3Å; L346-D348 PolarHBondContact O-N 3.01Å; D348-N351 PolarHBondContact O-N 3.11Å; D348-T352 WeakPolarHBondContact O-CB 3.29Å; D348-T352 PolarHBondContact O-N 3.42Å; D348-T352 PolarHBondContact O-OG1 3.31Å
349	S	90.5	Very high	93.6	Very high	22 Å²	22	47 Å²	47	15%	0.154	27%	0.273	C	S	.	.	H	α-helix	trans	-63.6	-47.5	173.9	-80.9	0	0	0	0	111.9	D345 L346 N351 T352 F353 S377	D345-S349 PolarHBondContact O-N 2.81Å; D345-S349 VanDerWaalsContact O-N 3.16Å; L346-S349 PolarHBondContact O-N 3.31Å; S349-N351 VanDerWaalsContact C-N 3.29Å; S349-N351 PolarHBondContact O-N 3.4Å; S349-T352 PolarHBondContact O-N 2.77Å; S349-T352 VanDerWaalsContact O-N 3.11Å; S349-F353 WeakPolarHBondContact O-CD2 3.46Å; S349-F353 PolarHBondContact O-N 2.84Å; S349-S377 VanDerWaalsContact CB-OG 3.28Å; S349-S377 WeakPolarHBondContact CB-OG 2.84Å; S349-S377 PolarHBondContact OG-OG 2.84Å
350	V	95.1	Very high	93.6	Very high	2 Å²	2	47 Å²	47	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-40.4	177.8	169.2	0	0	0	0	111.2	L346 Q347 G354 A355 T360 M450	L346-V350 HydrophobicContact CD1-CG2 4.23Å; L346-V350 WeakPolarHBondContact O-CG2 3.49Å; L346-V350 PolarHBondContact O-N 3Å; Q347-V350 PolarHBondContact O-N 3.19Å; V350-G354 CarbonylContact O-C 3.26Å; V350-G354 VanDerWaalsContact O-C 3.26Å; V350-G354 VanDerWaalsContact O-CA 3.31Å; V350-G354 WeakPolarHBondContact O-CA 3.48Å; V350-G354 PolarHBondContact O-N 2.83Å; V350-A355 HydrophobicContact CG1-CB 4.31Å; V350-T360 HydrophobicContact CG2-CG2 4.3Å; V350-M450 HydrophobicContact CB-SD 4.06Å; V350-M450 HydrophobicContact CG1-CG 4.4Å; V350-M450 HydrophobicContact CG1-SD 4.38Å; V350-M450 HydrophobicContact CG2-SD 3.84Å
351	N	91.7	Very high	93.8	Very high	105 Å²	105	47.1 Å²	47.1	56%	0.561	27%	0.273	S	S	*	.	H	α-helix	trans	-65.8	-38.7	175.6	-69.7	-13.9	0	0	0	111.9	Q347 D348 S349	Q347-N351 PolarHBondContact NE2-OD1 3.39Å; Q347-N351 VanDerWaalsContact NE2-OD1 3.08Å; Q347-N351 WeakPolarHBondContact O-CB 3.45Å; Q347-N351 PolarHBondContact O-N 2.96Å; Q347-N351 PolarHBondContact O-ND2 3.28Å; Q347-N351 PolarHBondContact O-OD1 3.06Å; D348-N351 PolarHBondContact O-N 3.11Å; S349-N351 VanDerWaalsContact C-N 3.29Å; S349-N351 PolarHBondContact O-N 3.4Å
352	T	87.3	Confident	94.1	Very high	107 Å²	107	46.4 Å²	46.4	66%	0.656	27%	0.265	S	S	*	.	H	α-helix	trans	-68.9	-42.7	179.3	-60.1	0	0	0	0	112.3	D348 S349	D348-T352 WeakPolarHBondContact O-CB 3.29Å; D348-T352 PolarHBondContact O-N 3.42Å; D348-T352 PolarHBondContact O-OG1 3.31Å; S349-T352 PolarHBondContact O-N 2.77Å; S349-T352 VanDerWaalsContact O-N 3.11Å
353	F	89.9	Confident	94.3	Very high	60 Å²	60	47 Å²	47	26%	0.263	27%	0.268	S	S	.	.	H	α-helix	trans	-76.9	-28.6	177.1	-82.7	-79.8	0	0	0	113.1	S349 N357 L359 T360 S376	S349-F353 WeakPolarHBondContact O-CD2 3.46Å; S349-F353 PolarHBondContact O-N 2.84Å; F353-N357 HydrophobicContact CB-CB 4.09Å; F353-N357 WeakPolarHBondContact O-CB 3.4Å; F353-N357 PolarHBondContact O-ND2 3.4Å; F353-N357 VanDerWaalsContact O-ND2 3.16Å; F353-L359 HydrophobicContact CD1-CB 4.36Å; F353-L359 HydrophobicContact CE1-CB 4.3Å; F353-L359 HydrophobicContact CE1-CD1 4.07Å; F353-T360 HydrophobicContact CB-CG2 3.73Å; F353-T360 HydrophobicContact CG-CG2 4.33Å; F353-S376 VanDerWaalsContact CE2-CB 3.47Å
354	G	94.3	Very high	94.3	Very high	30 Å²	30	46.4 Å²	46.4	31%	0.309	27%	0.268	S	S	.	.			trans	93.2	137.4	-167.7	0	0	0	0	0	111.8	V350 N356 N357	V350-G354 CarbonylContact O-C 3.26Å; V350-G354 VanDerWaalsContact O-C 3.26Å; V350-G354 VanDerWaalsContact O-CA 3.31Å; V350-G354 WeakPolarHBondContact O-CA 3.48Å; V350-G354 PolarHBondContact O-N 2.83Å; G354-N356 PolarHBondContact O-N 2.91Å; G354-N357 VanDerWaalsContact O-CB 3.23Å; G354-N357 WeakPolarHBondContact O-CB 3.46Å; G354-N357 PolarHBondContact O-N 3.48Å
355	A	94.3	Very high	94.6	Very high	54 Å²	54	48.8 Å²	48.8	45%	0.446	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.7	-171.7	0	0	0	0	0	115.3	V350 P448 G449	V350-A355 HydrophobicContact CG1-CB 4.31Å; A355-P448 CarbonylContact O-C 3.35Å; A355-P448 WeakPolarHBondContact O-CB 3.47Å; A355-G449 VanDerWaalsContact O-CA 3.29Å; A355-G449 WeakPolarHBondContact O-CA 3.36Å; A355-G449 PolarHBondContact O-N 2.99Å; A355-G449 VanDerWaalsContact O-N 3.08Å
356	N	96.7	Very high	94.8	Very high	146 Å²	146	45.9 Å²	45.9	78%	0.781	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	4.2	179.3	-62.9	-32.5	0	0	0	113	G354 P358	G354-N356 PolarHBondContact O-N 2.91Å; N356-P358 WeakPolarHBondContact O-CD 3.4Å
357	N	96.8	Very high	94.8	Very high	49 Å²	49	51.1 Å²	51.1	26%	0.262	30%	0.297	S	S	.	.			trans	-75.2	123.9	-177.2	-171	-36.8	0	0	0	110.4	F353 G354 L359 T360 P448	F353-N357 HydrophobicContact CB-CB 4.09Å; F353-N357 WeakPolarHBondContact O-CB 3.4Å; F353-N357 PolarHBondContact O-ND2 3.4Å; F353-N357 VanDerWaalsContact O-ND2 3.16Å; G354-N357 VanDerWaalsContact O-CB 3.23Å; G354-N357 WeakPolarHBondContact O-CB 3.46Å; G354-N357 PolarHBondContact O-N 3.48Å; N357-L359 PolarHBondContact O-N 3.42Å; N357-L359 WeakPolarHBondContact OD1-CB 3.23Å; N357-L359 PolarHBondContact OD1-N 3.41Å; N357-T360 HydrophobicContact CB-CG2 4.35Å; N357-T360 WeakPolarHBondContact O-CB 3.27Å; N357-T360 PolarHBondContact O-N 3.02Å; N357-T360 PolarHBondContact O-OG1 2.76Å; N357-P448 WeakPolarHBondContact O-CB 3.34Å
358	P	96.7	Very high	94.9	Very high	82 Å²	82	53.1 Å²	53.1	53%	0.532	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-58.2	-22	-179.5	-25.7	35.1	0	0	0	114.9	N356 T360 N361	N356-P358 WeakPolarHBondContact O-CD 3.4Å; P358-T360 PolarHBondContact O-N 3.1Å; P358-N361 WeakPolarHBondContact O-CB 3.36Å; P358-N361 PolarHBondContact O-N 2.98Å
359	L	96.3	Very high	95.1	Very high	30 Å²	30	51.4 Å²	51.4	16%	0.157	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-71.1	-6.1	175.1	-57	-178.7	0	0	0	113.1	F353 N357 V369 A374	F353-L359 HydrophobicContact CD1-CB 4.36Å; F353-L359 HydrophobicContact CE1-CB 4.3Å; F353-L359 HydrophobicContact CE1-CD1 4.07Å; N357-L359 PolarHBondContact O-N 3.42Å; N357-L359 WeakPolarHBondContact OD1-CB 3.23Å; N357-L359 PolarHBondContact OD1-N 3.41Å; L359-V369 HydrophobicContact CD2-CG1 4.13Å; L359-A374 HydrophobicContact CD2-CB 4.01Å
360	T	97.9	Very high	95.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-91.9	1.1	170.1	66.6	0	0	0	0	113.2	V350 F353 N357 P358 V378 K382 P448 G449	V350-T360 HydrophobicContact CG2-CG2 4.3Å; F353-T360 HydrophobicContact CB-CG2 3.73Å; F353-T360 HydrophobicContact CG-CG2 4.33Å; N357-T360 HydrophobicContact CB-CG2 4.35Å; N357-T360 WeakPolarHBondContact O-CB 3.27Å; N357-T360 PolarHBondContact O-N 3.02Å; N357-T360 PolarHBondContact O-OG1 2.76Å; P358-T360 PolarHBondContact O-N 3.1Å; T360-V378 HydrophobicContact CG2-CG2 4.46Å; T360-K382 PolarHBondContact O-NZ 3.48Å; T360-P448 VanDerWaalsContact OG1-CA 3.3Å; T360-P448 WeakPolarHBondContact OG1-CA 3.3Å; T360-P448 WeakPolarHBondContact OG1-CB 3.34Å; T360-G449 PolarHBondContact OG1-N 2.91Å
361	N	98.3	Very high	95.1	Very high	24 Å²	24	51.7 Å²	51.7	13%	0.128	30%	0.299	C	S	.	.	S	Bend	trans	-65.7	148.8	167.2	-67.2	-2.6	0	0	0	109.9	P358 V363 P364 F446 P448	P358-N361 WeakPolarHBondContact O-CB 3.36Å; P358-N361 PolarHBondContact O-N 2.98Å; N361-V363 VanDerWaalsContact C-N 3.31Å; N361-P364 HydrophobicContact CB-CB 4.5Å; N361-F446 PolarHBondContact ND2-O 3.47Å; N361-P448 WeakPolarHBondContact OD1-CA 3.29Å; N361-P448 WeakPolarHBondContact OD1-CB 3.41Å; N361-P448 WeakPolarHBondContact OD1-CD 3.41Å
362	L	98.4	Very high	94.9	Very high	2 Å²	2	49 Å²	49	1%	0.01	28%	0.284	C	S	.	.	S	Bend	trans	-70	-34.7	172.7	-171.8	60.8	0	0	0	111.4	W312 K382 L386 W444 M445	W312-L362 HydrophobicContact CB-CD1 3.39Å; W312-L362 HydrophobicContact CB-CG 3.89Å; W312-L362 HydrophobicContact CD2-CD1 4.06Å; W312-L362 HydrophobicContact CD2-CD2 3.88Å; W312-L362 HydrophobicContact CD2-CG 3.85Å; W312-L362 HydrophobicContact CE3-CD1 4.33Å; W312-L362 HydrophobicContact CE3-CD2 4.09Å; W312-L362 HydrophobicContact CE3-CG 4.4Å; W312-L362 HydrophobicContact CG-CD1 3.66Å; W312-L362 HydrophobicContact CG-CD2 4.17Å; W312-L362 HydrophobicContact CG-CG 3.58Å; L362-K382 HydrophobicContact CB-CD 4Å; L362-K382 HydrophobicContact CB-CG 4.35Å; L362-K382 HydrophobicContact CD1-CB 3.99Å; L362-K382 HydrophobicContact CD1-CD 4.44Å; L362-K382 HydrophobicContact CD1-CG 4.03Å; L362-L386 HydrophobicContact CD2-CD2 3.69Å; L362-W444 WeakPolarHBondContact CB-O 3.49Å; L362-M445 PolarHBondContact N-O 3.17Å
363	V	98.4	Very high	94.8	Very high	14 Å²	14	48.6 Å²	48.6	9%	0.085	28%	0.278	C	S	.	.	S	Bend	trans	-118.7	85.8	172.7	-173.3	0	0	0	0	107.6	N361 T418 M445 F446	N361-V363 VanDerWaalsContact C-N 3.31Å; V363-T418 HydrophobicContact CG2-CG2 4.16Å; V363-T418 WeakPolarHBondContact CG2-OG1 3.22Å; V363-M445 HydrophobicContact CG2-CB 4.29Å; V363-M445 PolarHBondContact N-O 2.87Å; V363-F446 HydrophobicContact CB-CD1 4.07Å; V363-F446 HydrophobicContact CB-CE1 3.7Å; V363-F446 HydrophobicContact CG1-CE1 3.85Å; V363-F446 HydrophobicContact CG2-CE1 4.3Å
364	P	97.2	Very high	94.7	Very high	17 Å²	17	46.3 Å²	46.3	11%	0.11	27%	0.27	C	S	.	.			trans	-73.2	160.2	176.4	32.2	-35.5	0	0	0	111	E309 N361 L366	E309-P364 WeakPolarHBondContact CB-O 3.41Å; E309-P364 VanDerWaalsContact CG-O 3.32Å; E309-P364 WeakPolarHBondContact CG-O 3.32Å; N361-P364 HydrophobicContact CB-CB 4.5Å; P364-L366 HydrophobicContact CG-CD2 4.38Å
365	S	96	Very high	94.3	Very high	79 Å²	79	47.5 Å²	47.5	55%	0.552	27%	0.267	S	S	*	.			trans	-87.3	128.5	164.2	178	0	0	0	0	108.9	E309	E309-S365 VanDerWaalsContact OE1-CA 3.3Å; E309-S365 WeakPolarHBondContact OE1-CA 3.49Å
366	L	96.4	Very high	94	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	25%	0.252	C	S	.	.			trans	-107.6	17.2	180	-64.6	-179.5	0	0	0	113.6	P4 W308 E309 P364 E368 V369 A374	P4-L366 HydrophobicContact CG-CB 4.14Å; W308-L366 HydrophobicContact CB-CD1 3.52Å; E309-L366 HydrophobicContact CG-CB 3.9Å; E309-L366 HydrophobicContact CG-CD1 4.09Å; E309-L366 HydrophobicContact CG-CG 3.84Å; E309-L366 PolarHBondContact OE1-N 3.33Å; P364-L366 HydrophobicContact CG-CD2 4.38Å; L366-E368 PolarHBondContact O-N 2.77Å; L366-E368 VanDerWaalsContact O-N 3.12Å; L366-V369 HydrophobicContact CD2-CB 4.13Å; L366-V369 HydrophobicContact CD2-CG1 3.95Å; L366-V369 PolarHBondContact O-N 2.84Å; L366-A374 HydrophobicContact CD2-CB 3.67Å
367	Q	95.9	Very high	93.8	Very high	109 Å²	109	40.2 Å²	40.2	51%	0.509	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	117.1	174.2	-172.7	61.7	56	0	0	110	V369	Q367-V369 PolarHBondContact O-N 3.45Å
368	E	94.8	Very high	93.8	Very high	106 Å²	106	37.9 Å²	37.9	50%	0.495	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	21.7	-176.7	-56.5	-54.2	111.4	0	0	115	H76 K79 L366	H76-E368 IonicContact CE1-OE2 3.13Å; H76-E368 IonicContact NE2-OE1 3.6Å; H76-E368 IonicContact NE2-OE2 3.36Å; H76-E368 PolarHBondContact NE2-OE2 2.83Å; K79-E368 IonicContact NZ-OE1 2.81Å; K79-E368 PolarHBondContact NZ-OE1 3.27Å; L366-E368 PolarHBondContact O-N 2.77Å; L366-E368 VanDerWaalsContact O-N 3.12Å
369	V	95	Very high	93.9	Very high	39 Å²	39	34.6 Å²	34.6	24%	0.236	19%	0.19	C	C	.	.			trans	-110.1	130.3	172.8	179.2	0	0	0	0	108.6	F78 L359 L366 Q367 P371	F78-V369 VanDerWaalsContact CZ-O 3.29Å; F78-V369 WeakPolarHBondContact CZ-O 3.14Å; L359-V369 HydrophobicContact CD2-CG1 4.13Å; L366-V369 HydrophobicContact CD2-CB 4.13Å; L366-V369 HydrophobicContact CD2-CG1 3.95Å; L366-V369 PolarHBondContact O-N 2.84Å; Q367-V369 PolarHBondContact O-N 3.45Å; V369-P371 WeakPolarHBondContact O-CD 3.1Å
370	N	92.9	Very high	94	Very high	30 Å²	30	36.3 Å²	36.3	16%	0.16	20%	0.195	C	C	.	.			trans	-66.8	125.2	171.5	-179.1	0.4	0	0	0	108.9	F78 H135 D372 D373	F78-N370 HydrophobicContact CB-CB 4Å; F78-N370 HydrophobicContact CD1-CB 4Å; F78-N370 HydrophobicContact CD2-CB 4.27Å; F78-N370 HydrophobicContact CG-CB 3.85Å; H135-N370 PolarHBondContact CE1-OD1 2.9Å; H135-N370 PolarHBondContact NE2-OD1 3.45Å; N370-D372 PolarHBondContact ND2-OD2 2.8Å; N370-D372 PolarHBondContact O-N 3.5Å; N370-D372 VanDerWaalsContact O-N 3.09Å; N370-D372 PolarHBondContact OD1-N 3.49Å; N370-D372 VanDerWaalsContact OD1-N 3.15Å; N370-D372 PolarHBondContact OD1-OD2 2.84Å; N370-D373 WeakPolarHBondContact O-CB 3.36Å; N370-D373 PolarHBondContact O-N 2.99Å
371	P	91.7	Very high	94	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-48	-36.2	174.4	-32.3	37.7	0	0	0	114.5	C5 A134 V369 D373 A374 F375	C5-P371 HydrophobicContact CB-CG 4.08Å; C5-P371 WeakPolarHBondContact SG-CG 3.35Å; A134-P371 HydrophobicContact CB-CB 3.73Å; A134-P371 HydrophobicContact CB-CG 4.42Å; V369-P371 WeakPolarHBondContact O-CD 3.1Å; P371-D373 PolarHBondContact O-N 3.28Å; P371-A374 WeakPolarHBondContact O-CB 3.49Å; P371-A374 PolarHBondContact O-N 3.15Å; P371-F375 HydrophobicContact CB-CE1 4.45Å; P371-F375 VanDerWaalsContact O-CD1 3.24Å; P371-F375 WeakPolarHBondContact O-CD1 3.46Å; P371-F375 PolarHBondContact O-N 3.21Å; P371-F375 VanDerWaalsContact O-N 3.16Å
372	D	87.1	Confident	94.1	Very high	48 Å²	48	36.1 Å²	36.1	26%	0.257	19%	0.193	S	C	.	.	H	α-helix	trans	-63.6	-27.9	-179.7	-53.9	-33.3	0	0	0	112.6	H135 H136 N370 A374	H135-D372 IonicContact CE1-OD1 3.59Å; H135-D372 IonicContact CE1-OD2 2.69Å; H136-D372 IonicContact CE1-OD1 3.69Å; H136-D372 IonicContact CE1-OD2 3.39Å; H136-D372 PolarHBondContact CE1-OD2 2.92Å; H136-D372 VanDerWaalsContact CE1-OD2 3.24Å; H136-D372 IonicContact NE2-OD1 2.7Å; H136-D372 PolarHBondContact NE2-OD1 2.97Å; H136-D372 IonicContact NE2-OD2 3.54Å; N370-D372 PolarHBondContact ND2-OD2 2.8Å; N370-D372 PolarHBondContact O-N 3.5Å; N370-D372 VanDerWaalsContact O-N 3.09Å; N370-D372 PolarHBondContact OD1-N 3.49Å; N370-D372 VanDerWaalsContact OD1-N 3.15Å; N370-D372 PolarHBondContact OD1-OD2 2.84Å; D372-A374 VanDerWaalsContact C-N 3.32Å
373	D	86.2	Confident	94.1	Very high	98 Å²	98	36 Å²	36	52%	0.524	19%	0.193	S	C	.	.	H	α-helix	trans	-76.5	-22.7	176.7	-66.9	-37.5	0	0	0	112	N370 P371	N370-D373 WeakPolarHBondContact O-CB 3.36Å; N370-D373 PolarHBondContact O-N 2.99Å; P371-D373 PolarHBondContact O-N 3.28Å
374	A	88.4	Confident	94.1	Very high	12 Å²	12	35.4 Å²	35.4	10%	0.099	19%	0.189	C	C	.	.	H	α-helix	trans	-88.4	-19.2	177.8	0	0	0	0	0	113	L359 L366 P371 D372 S376	L359-A374 HydrophobicContact CD2-CB 4.01Å; L366-A374 HydrophobicContact CD2-CB 3.67Å; P371-A374 WeakPolarHBondContact O-CB 3.49Å; P371-A374 PolarHBondContact O-N 3.15Å; D372-A374 VanDerWaalsContact C-N 3.32Å; A374-S376 PolarHBondContact O-N 2.89Å
375	F	84.1	Confident	94.2	Very high	56 Å²	56	34.6 Å²	34.6	25%	0.246	18%	0.184	C	C	.	.			trans	-67	122.8	-179.8	-75	2.1	0	0	0	111.6	Q133 A134 W308 F311 P371	Q133-F375 HydrophobicContact CG-CE2 4.37Å; Q133-F375 HydrophobicContact CG-CZ 4.39Å; A134-F375 HydrophobicContact CB-CE1 4.29Å; A134-F375 HydrophobicContact CB-CE2 3.84Å; A134-F375 HydrophobicContact CB-CZ 3.38Å; W308-F375 HydrophobicContact CE3-CE1 4.43Å; W308-F375 HydrophobicContact CE3-CZ 4.23Å; W308-F375 HydrophobicContact CZ3-CZ 4.43Å; F311-F375 HydrophobicContact CD1-CD1 4.27Å; F311-F375 AromaticContact CD1-CE1 3.94Å; F311-F375 HydrophobicContact CD1-CE1 3.94Å; F311-F375 HydrophobicContact CE1-CD1 4.14Å; F311-F375 AromaticContact CE1-CE1 3.91Å; F311-F375 HydrophobicContact CE1-CE1 3.91Å; F311-F375 HydrophobicContact CE1-CZ 4.35Å; F311-F375 HydrophobicContact CG-CE1 4.42Å; F311-F375 HydrophobicContact CZ-CE1 4.35Å; F311-F375 HydrophobicContact CZ-CZ 4.36Å; P371-F375 HydrophobicContact CB-CE1 4.45Å; P371-F375 VanDerWaalsContact O-CD1 3.24Å; P371-F375 WeakPolarHBondContact O-CD1 3.46Å; P371-F375 PolarHBondContact O-N 3.21Å; P371-F375 VanDerWaalsContact O-N 3.16Å
376	S	89.2	Confident	94.3	Very high	20 Å²	20	30.9 Å²	30.9	14%	0.14	16%	0.158	C	C	.	.	S	Bend	trans	-162	-178	-175.7	66.9	0	0	0	0	109.8	F353 A374 V378 P379 Y380	F353-S376 VanDerWaalsContact CE2-CB 3.47Å; A374-S376 PolarHBondContact O-N 2.89Å; S376-V378 PolarHBondContact O-N 3.37Å; S376-V378 WeakPolarHBondContact OG-CB 3.41Å; S376-V378 WeakPolarHBondContact OG-CG2 3.48Å; S376-V378 PolarHBondContact OG-N 3.36Å; S376-V378 VanDerWaalsContact OG-N 3.16Å; S376-P379 WeakPolarHBondContact O-CD 3.37Å; S376-Y380 WeakPolarHBondContact O-CD2 3.34Å; S376-Y380 WeakPolarHBondContact O-CE2 3.08Å
377	S	92.3	Very high	94.4	Very high	26 Å²	26	30.7 Å²	30.7	18%	0.182	16%	0.157	C	C	.	.	S	Bend	trans	-74.2	-4.6	170.5	64.6	0	0	0	0	113.6	D345 S349 Y380 E381	D345-S377 PolarHBondContact O-OG 3.18Å; S349-S377 VanDerWaalsContact CB-OG 3.28Å; S349-S377 WeakPolarHBondContact CB-OG 2.84Å; S349-S377 PolarHBondContact OG-OG 2.84Å; S377-Y380 WeakPolarHBondContact O-CB 2.99Å; S377-Y380 PolarHBondContact O-N 3.48Å; S377-E381 WeakPolarHBondContact O-CB 3.18Å; S377-E381 PolarHBondContact O-N 2.87Å
378	V	97.4	Very high	94.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.8	-57.6	-178.7	176.7	0	0	0	0	112.6	L346 T360 S376 Y380 E381 K382	L346-V378 HydrophobicContact CD1-CB 4.4Å; L346-V378 HydrophobicContact CD1-CG1 4.49Å; L346-V378 HydrophobicContact CD1-CG2 4.16Å; T360-V378 HydrophobicContact CG2-CG2 4.46Å; S376-V378 PolarHBondContact O-N 3.37Å; S376-V378 WeakPolarHBondContact OG-CB 3.41Å; S376-V378 WeakPolarHBondContact OG-CG2 3.48Å; S376-V378 PolarHBondContact OG-N 3.36Å; S376-V378 VanDerWaalsContact OG-N 3.16Å; V378-Y380 PolarHBondContact O-N 3Å; V378-E381 PolarHBondContact O-N 3.05Å; V378-K382 HydrophobicContact CG1-CB 4.18Å; V378-K382 HydrophobicContact CG1-CD 4.24Å; V378-K382 WeakPolarHBondContact O-CA 3.31Å; V378-K382 WeakPolarHBondContact O-CB 3.46Å; V378-K382 PolarHBondContact O-N 2.79Å
379	P	98.1	Very high	94.7	Very high	14 Å²	14	22 Å²	22	9%	0.091	12%	0.116	C	C	.	.	H	α-helix	trans	-60.6	-29.9	-178.7	20.9	-32.4	0	0	0	113.4	F311 W312 S376 G383	F311-P379 HydrophobicContact CD1-CB 3.97Å; F311-P379 HydrophobicContact CD1-CG 3.75Å; F311-P379 HydrophobicContact CE1-CG 4.09Å; W312-P379 HydrophobicContact CB-CB 4.05Å; S376-P379 WeakPolarHBondContact O-CD 3.37Å; P379-G383 WeakPolarHBondContact O-CA 3.47Å; P379-G383 PolarHBondContact O-N 3.48Å
380	Y	98.6	Very high	94.9	Very high	65 Å²	65	20.1 Å²	20.1	26%	0.255	11%	0.105	S	C	.	.	H	α-helix	trans	-68.4	-61.6	176	-63	-106.5	0	0	0	110.8	H292 F311 E315 V319 S376 S377 V378 F384	H292-Y380 AromaticContact CE1-CD1 3.94Å; H292-Y380 AromaticContact CE1-CE1 3.96Å; H292-Y380 AromaticContact NE2-CE1 3.87Å; F311-Y380 HydrophobicContact CE1-CE2 4.11Å; E315-Y380 HydrophobicContact CB-CD1 3.81Å; E315-Y380 HydrophobicContact CB-CD2 4.04Å; E315-Y380 HydrophobicContact CB-CE1 4.09Å; E315-Y380 HydrophobicContact CB-CE2 4.24Å; E315-Y380 HydrophobicContact CB-CG 3.78Å; E315-Y380 VanDerWaalsContact CD-CE1 3.45Å; E315-Y380 VanDerWaalsContact CD-CZ 3.43Å; E315-Y380 HydrophobicContact CG-CD1 4.08Å; E315-Y380 HydrophobicContact CG-CD2 4.02Å; E315-Y380 HydrophobicContact CG-CE1 3.83Å; E315-Y380 HydrophobicContact CG-CE2 3.71Å; E315-Y380 HydrophobicContact CG-CG 4.17Å; E315-Y380 WeakPolarHBondContact OE2-CD1 3.1Å; E315-Y380 WeakPolarHBondContact OE2-CE1 3.43Å; E315-Y380 VanDerWaalsContact OE2-CZ 3.31Å; V319-Y380 HydrophobicContact CG2-CD1 4Å; S376-Y380 WeakPolarHBondContact O-CD2 3.34Å; S376-Y380 WeakPolarHBondContact O-CE2 3.08Å; S377-Y380 WeakPolarHBondContact O-CB 2.99Å; S377-Y380 PolarHBondContact O-N 3.48Å; V378-Y380 PolarHBondContact O-N 3Å; Y380-F384 VanDerWaalsContact O-CB 3.3Å; Y380-F384 WeakPolarHBondContact O-CB 3.46Å; Y380-F384 PolarHBondContact O-N 3.34Å
381	E	98.6	Very high	95.2	Very high	20 Å²	20	18.9 Å²	18.9	9%	0.093	10%	0.098	C	C	.	.	H	α-helix	trans	-88.7	-33.9	-166.3	-63.1	-62.5	169.2	0	0	113.1	R323 G342 L346 S377 V378 G383 A385	R323-E381 IonicContact CZ-OE1 3.75Å; R323-E381 IonicContact CZ-OE2 3.43Å; R323-E381 IonicContact NH1-OE2 3.97Å; R323-E381 PolarHBondContact NH1-OE2 3.05Å; R323-E381 IonicContact NH2-OE1 3.3Å; R323-E381 PolarHBondContact NH2-OE1 2.77Å; R323-E381 IonicContact NH2-OE2 3.44Å; R323-E381 PolarHBondContact NH2-OE2 3.34Å; G342-E381 WeakPolarHBondContact CA-OE1 3.43Å; G342-E381 WeakPolarHBondContact CA-OE2 3.3Å; G342-E381 WeakPolarHBondContact O-CG 3.39Å; L346-E381 HydrophobicContact CB-CB 3.76Å; L346-E381 HydrophobicContact CD1-CB 4.39Å; L346-E381 HydrophobicContact CD2-CB 4.43Å; L346-E381 HydrophobicContact CG-CB 4.42Å; S377-E381 WeakPolarHBondContact O-CB 3.18Å; S377-E381 PolarHBondContact O-N 2.87Å; V378-E381 PolarHBondContact O-N 3.05Å; E381-G383 VanDerWaalsContact C-N 3.34Å; E381-A385 WeakPolarHBondContact O-CB 3.35Å; E381-A385 PolarHBondContact O-N 3.21Å
382	K	98.8	Very high	95.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-69.4	-36.8	170.3	-171.3	174.9	-114.8	-174.1	0	110.3	L346 T360 L362 V378 A385 L386 T447 G449 P451	L346-K382 HydrophobicContact CD1-CB 4.04Å; L346-K382 HydrophobicContact CD2-CB 4.11Å; T360-K382 PolarHBondContact O-NZ 3.48Å; L362-K382 HydrophobicContact CB-CD 4Å; L362-K382 HydrophobicContact CB-CG 4.35Å; L362-K382 HydrophobicContact CD1-CB 3.99Å; L362-K382 HydrophobicContact CD1-CD 4.44Å; L362-K382 HydrophobicContact CD1-CG 4.03Å; V378-K382 HydrophobicContact CG1-CB 4.18Å; V378-K382 HydrophobicContact CG1-CD 4.24Å; V378-K382 WeakPolarHBondContact O-CA 3.31Å; V378-K382 WeakPolarHBondContact O-CB 3.46Å; V378-K382 PolarHBondContact O-N 2.79Å; K382-A385 PolarHBondContact O-N 2.87Å; K382-L386 PolarHBondContact O-N 3.17Å; K382-T447 PolarHBondContact NZ-O 2.81Å; K382-T447 VanDerWaalsContact NZ-O 3.08Å; K382-G449 WeakPolarHBondContact CE-O 3.49Å; K382-G449 PolarHBondContact NZ-O 3.22Å; K382-P451 HydrophobicContact CG-CG 4.18Å
383	G	98.8	Very high	96	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.9	-50.4	173.3	0	0	0	0	0	112	P379 E381 A385 L386 L387	P379-G383 WeakPolarHBondContact O-CA 3.47Å; P379-G383 PolarHBondContact O-N 3.48Å; E381-G383 VanDerWaalsContact C-N 3.34Å; G383-A385 VanDerWaalsContact C-N 3.35Å; G383-A385 PolarHBondContact O-N 3.01Å; G383-L386 PolarHBondContact O-N 2.94Å; G383-L387 WeakPolarHBondContact O-CG 3.37Å; G383-L387 PolarHBondContact O-N 2.82Å; G383-L387 VanDerWaalsContact O-N 3.12Å
384	F	98.9	Very high	96.5	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-56.6	-47	172.6	169.2	-90.6	0	0	0	112	V319 Y320 R323 A339 Y380 L386 L387 Y388	V319-F384 HydrophobicContact CB-CB 4.18Å; V319-F384 HydrophobicContact CG1-CB 3.78Å; V319-F384 HydrophobicContact CG1-CD2 3.83Å; V319-F384 HydrophobicContact CG1-CG 3.92Å; Y320-F384 HydrophobicContact CD2-CD2 4.36Å; Y320-F384 HydrophobicContact CD2-CE2 4.23Å; R323-F384 HydrophobicContact CB-CE2 4.23Å; R323-F384 HydrophobicContact CG-CE2 4.36Å; A339-F384 HydrophobicContact CB-CE1 3.64Å; A339-F384 HydrophobicContact CB-CZ 3.74Å; Y380-F384 VanDerWaalsContact O-CB 3.3Å; Y380-F384 WeakPolarHBondContact O-CB 3.46Å; Y380-F384 PolarHBondContact O-N 3.34Å; F384-L386 VanDerWaalsContact C-N 3.26Å; F384-L386 PolarHBondContact O-N 3.41Å; F384-L387 PolarHBondContact O-N 3.05Å; F384-L387 VanDerWaalsContact O-N 3.09Å; F384-Y388 HydrophobicContact CE1-CD2 4.31Å; F384-Y388 HydrophobicContact CE1-CG 4.17Å; F384-Y388 AromaticContact CZ-CD2 3.77Å; F384-Y388 HydrophobicContact CZ-CD2 3.77Å; F384-Y388 HydrophobicContact CZ-CG 4.05Å; F384-Y388 WeakPolarHBondContact O-CB 3.29Å; F384-Y388 PolarHBondContact O-N 2.63Å
385	A	98.8	Very high	97	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-60.9	-36.4	-178	0	0	0	0	0	112.1	W343 E381 K382 G383 H389 W444 P451	W343-A385 HydrophobicContact CE3-CB 4.49Å; W343-A385 HydrophobicContact CZ3-CB 4.27Å; E381-A385 WeakPolarHBondContact O-CB 3.35Å; E381-A385 PolarHBondContact O-N 3.21Å; K382-A385 PolarHBondContact O-N 2.87Å; G383-A385 VanDerWaalsContact C-N 3.35Å; G383-A385 PolarHBondContact O-N 3.01Å; A385-H389 VanDerWaalsContact O-CB 3.23Å; A385-H389 WeakPolarHBondContact O-CB 3.41Å; A385-H389 PolarHBondContact O-N 3.41Å; A385-W444 HydrophobicContact CB-CH2 4.04Å; A385-W444 HydrophobicContact CB-CZ3 4.01Å; A385-W444 WeakPolarHBondContact O-CH2 3.35Å; A385-P451 HydrophobicContact CB-CG 4.45Å
386	L	98.8	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.3	-49.1	172.6	173.5	59.5	0	0	0	110.9	W312 L362 K382 G383 F384 Y388 H389 L390 W421 W441 W444	W312-L386 HydrophobicContact CH2-CD2 3.91Å; W312-L386 HydrophobicContact CZ3-CD2 4.06Å; L362-L386 HydrophobicContact CD2-CD2 3.69Å; K382-L386 PolarHBondContact O-N 3.17Å; G383-L386 PolarHBondContact O-N 2.94Å; F384-L386 VanDerWaalsContact C-N 3.26Å; F384-L386 PolarHBondContact O-N 3.41Å; L386-Y388 VanDerWaalsContact C-N 3.35Å; L386-Y388 PolarHBondContact O-N 3.41Å; L386-H389 PolarHBondContact O-N 2.96Å; L386-L390 HydrophobicContact CD1-CD1 3.9Å; L386-L390 HydrophobicContact CD1-CG 4.11Å; L386-L390 HydrophobicContact CG-CD1 4.01Å; L386-L390 VanDerWaalsContact O-CG 3.26Å; L386-L390 WeakPolarHBondContact O-CG 3.24Å; L386-L390 PolarHBondContact O-N 2.68Å; L386-W421 HydrophobicContact CD2-CH2 4.21Å; L386-W441 HydrophobicContact CD1-CZ3 4.19Å; L386-W444 VanDerWaalsContact CA-CZ3 3.41Å; L386-W444 HydrophobicContact CB-CD2 4.25Å; L386-W444 HydrophobicContact CB-CE3 3.61Å; L386-W444 HydrophobicContact CB-CH2 4.36Å; L386-W444 HydrophobicContact CB-CZ3 3.67Å; L386-W444 HydrophobicContact CD1-CB 4.24Å; L386-W444 HydrophobicContact CD1-CD2 3.7Å; L386-W444 HydrophobicContact CD1-CE3 3.98Å; L386-W444 HydrophobicContact CD1-CG 3.82Å; L386-W444 HydrophobicContact CG-CD2 4.5Å; L386-W444 HydrophobicContact CG-CE3 4.3Å
387	L	98.8	Very high	98	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.3	-40.4	-179.2	-64.3	-178.6	0	0	0	112.1	W312 G316 H317 Y320 G383 F384 L390 E391 F400 W421	W312-L387 HydrophobicContact CZ3-CD2 4.26Å; W312-L387 HydrophobicContact CZ3-CG 4.47Å; G316-L387 WeakPolarHBondContact O-CD1 3.3Å; H317-L387 HydrophobicContact CB-CD1 4.23Å; Y320-L387 HydrophobicContact CD2-CB 3.93Å; Y320-L387 HydrophobicContact CG-CB 4.35Å; Y320-L387 HydrophobicContact CG-CD1 4.28Å; G383-L387 WeakPolarHBondContact O-CG 3.37Å; G383-L387 PolarHBondContact O-N 2.82Å; G383-L387 VanDerWaalsContact O-N 3.12Å; F384-L387 PolarHBondContact O-N 3.05Å; F384-L387 VanDerWaalsContact O-N 3.09Å; L387-L390 PolarHBondContact O-N 3.2Å; L387-E391 WeakPolarHBondContact O-CB 3.39Å; L387-E391 PolarHBondContact O-N 3.49Å; L387-F400 HydrophobicContact CB-CE1 3.99Å; L387-F400 HydrophobicContact CB-CZ 4.4Å; L387-F400 HydrophobicContact CD2-CE1 4.08Å; L387-F400 HydrophobicContact CD2-CZ 3.94Å; L387-W421 HydrophobicContact CD2-CH2 4.43Å; L387-W421 HydrophobicContact CD2-CZ2 3.6Å
388	Y	98.7	Very high	98.3	Very high	10 Å²	10	22.8 Å²	22.8	4%	0.039	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-41.4	175.5	-174.9	-86.4	0	0	0	111.6	Q336 F384 L386 L390 E391 E392 P455 Q456 Y457	Q336-Y388 PolarHBondContact NE2-OH 3.33Å; Q336-Y388 PolarHBondContact OE1-OH 2.89Å; Q336-Y388 VanDerWaalsContact OE1-OH 3.13Å; F384-Y388 HydrophobicContact CE1-CD2 4.31Å; F384-Y388 HydrophobicContact CE1-CG 4.17Å; F384-Y388 AromaticContact CZ-CD2 3.77Å; F384-Y388 HydrophobicContact CZ-CD2 3.77Å; F384-Y388 HydrophobicContact CZ-CG 4.05Å; F384-Y388 WeakPolarHBondContact O-CB 3.29Å; F384-Y388 PolarHBondContact O-N 2.63Å; L386-Y388 VanDerWaalsContact C-N 3.35Å; L386-Y388 PolarHBondContact O-N 3.41Å; Y388-L390 VanDerWaalsContact C-N 3.32Å; Y388-L390 PolarHBondContact O-N 3.3Å; Y388-E391 WeakPolarHBondContact O-CB 3.31Å; Y388-E391 PolarHBondContact O-N 3.07Å; Y388-E392 HydrophobicContact CD1-CG 4.41Å; Y388-E392 HydrophobicContact CE1-CG 3.97Å; Y388-E392 PolarHBondContact O-N 3.21Å; Y388-E392 VanDerWaalsContact O-N 3.08Å; Y388-P455 HydrophobicContact CD1-CB 3.4Å; Y388-P455 HydrophobicContact CD1-CG 3.81Å; Y388-P455 HydrophobicContact CE1-CB 3.5Å; Y388-P455 VanDerWaalsContact CE1-CB 3.5Å; Y388-P455 HydrophobicContact CE1-CG 4.4Å; Y388-Q456 PolarHBondContact OH-O 2.96Å; Y388-Y457 HydrophobicContact CD1-CE1 4.03Å; Y388-Y457 HydrophobicContact CE1-CD1 4.13Å; Y388-Y457 AromaticContact CE1-CE1 3.82Å; Y388-Y457 HydrophobicContact CE1-CE1 3.82Å
389	H	98.5	Very high	98.4	Very high	22 Å²	22	25.7 Å²	25.7	10%	0.102	14%	0.143	C	C	.	.	H	α-helix	trans	-60.5	-42.4	173	177.2	55.1	0	0	0	112	A385 L386 E392 L393 W444	A385-H389 VanDerWaalsContact O-CB 3.23Å; A385-H389 WeakPolarHBondContact O-CB 3.41Å; A385-H389 PolarHBondContact O-N 3.41Å; L386-H389 PolarHBondContact O-N 2.96Å; H389-E392 PolarHBondContact O-N 3.06Å; H389-L393 WeakPolarHBondContact NE2-CD1 3.48Å; H389-L393 WeakPolarHBondContact O-CG 3.38Å; H389-L393 PolarHBondContact O-N 3.35Å; H389-L393 VanDerWaalsContact O-N 3.14Å; H389-W444 HydrophobicContact CB-CH2 4.19Å; H389-W444 HydrophobicContact CB-CZ2 3.84Å; H389-W444 AromaticContact CD2-CE2 3.96Å; H389-W444 AromaticContact CD2-CZ2 3.72Å; H389-W444 AromaticContact CD2-NE1 3.76Å; H389-W444 AromaticContact CG-CZ2 3.86Å
390	L	98.7	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.2	-37	175.8	-68.1	169	0	0	0	111.8	L386 L387 Y388 E392 L393 M394 F400 W421 L425 L436 V439 W441	L386-L390 HydrophobicContact CD1-CD1 3.9Å; L386-L390 HydrophobicContact CD1-CG 4.11Å; L386-L390 HydrophobicContact CG-CD1 4.01Å; L386-L390 VanDerWaalsContact O-CG 3.26Å; L386-L390 WeakPolarHBondContact O-CG 3.24Å; L386-L390 PolarHBondContact O-N 2.68Å; L387-L390 PolarHBondContact O-N 3.2Å; Y388-L390 VanDerWaalsContact C-N 3.32Å; Y388-L390 PolarHBondContact O-N 3.3Å; L390-E392 PolarHBondContact O-N 2.88Å; L390-L393 PolarHBondContact O-N 3Å; L390-M394 WeakPolarHBondContact O-CB 3.39Å; L390-M394 WeakPolarHBondContact O-CG 3.21Å; L390-M394 PolarHBondContact O-N 2.93Å; L390-F400 HydrophobicContact CB-CD2 4.33Å; L390-F400 HydrophobicContact CB-CE2 3.52Å; L390-F400 HydrophobicContact CB-CZ 3.81Å; L390-F400 HydrophobicContact CD1-CZ 4.37Å; L390-W421 HydrophobicContact CD1-CH2 3.6Å; L390-W421 HydrophobicContact CD1-CZ2 4.02Å; L390-L425 HydrophobicContact CD1-CD2 4.01Å; L390-L425 HydrophobicContact CD2-CD2 4.43Å; L390-L436 HydrophobicContact CD2-CD2 4.08Å; L390-V439 HydrophobicContact CD2-CG2 4.11Å; L390-W441 HydrophobicContact CD1-CH2 4.05Å; L390-W441 HydrophobicContact CD1-CZ3 4.42Å; L390-W441 HydrophobicContact CD2-CH2 3.9Å; L390-W441 HydrophobicContact CD2-CZ2 4.4Å
391	E	98.6	Very high	98.4	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.019	13%	0.13	C	C	.	.	H	α-helix	trans	-55	-50.2	172.4	175.1	-171.6	120.3	0	0	111.4	Y320 R335 L387 Y388 L393 M394 G395 G396 P397 F400	Y320-E391 WeakPolarHBondContact CE2-OE2 3.36Å; Y320-E391 PolarHBondContact OH-OE2 3.16Å; R335-E391 IonicContact CZ-OE1 3.65Å; R335-E391 VanDerWaalsContact CZ-OE1 3.3Å; R335-E391 IonicContact CZ-OE2 3.67Å; R335-E391 VanDerWaalsContact NH1-CD 3.31Å; R335-E391 IonicContact NH1-OE1 2.92Å; R335-E391 PolarHBondContact NH1-OE1 2.73Å; R335-E391 IonicContact NH1-OE2 2.9Å; R335-E391 PolarHBondContact NH1-OE2 2.94Å; R335-E391 IonicContact NH2-OE1 3.41Å; R335-E391 PolarHBondContact NH2-OE1 3.44Å; L387-E391 WeakPolarHBondContact O-CB 3.39Å; L387-E391 PolarHBondContact O-N 3.49Å; Y388-E391 WeakPolarHBondContact O-CB 3.31Å; Y388-E391 PolarHBondContact O-N 3.07Å; E391-L393 VanDerWaalsContact C-N 3.33Å; E391-L393 PolarHBondContact O-N 3.41Å; E391-M394 PolarHBondContact O-N 3.49Å; E391-G395 PolarHBondContact O-N 3.49Å; E391-G396 VanDerWaalsContact CG-C 3.44Å; E391-G396 PolarHBondContact O-N 2.94Å; E391-P397 HydrophobicContact CG-CB 4.25Å; E391-P397 WeakPolarHBondContact OE1-CB 3.45Å; E391-F400 HydrophobicContact CB-CB 3.84Å; E391-F400 HydrophobicContact CB-CD1 4.11Å; E391-F400 HydrophobicContact CB-CD2 4.48Å; E391-F400 HydrophobicContact CB-CG 3.88Å; E391-F400 HydrophobicContact CG-CB 3.9Å; E391-F400 HydrophobicContact CG-CG 4.48Å
392	E	97.5	Very high	98.4	Very high	80 Å²	80	22.9 Å²	22.9	37%	0.374	14%	0.139	S	C	.	.	H	α-helix	trans	-58.7	-45	178.1	-67.9	-176.7	122.1	0	0	111.3	Y388 H389 L390	Y388-E392 HydrophobicContact CD1-CG 4.41Å; Y388-E392 HydrophobicContact CE1-CG 3.97Å; Y388-E392 PolarHBondContact O-N 3.21Å; Y388-E392 VanDerWaalsContact O-N 3.08Å; H389-E392 PolarHBondContact O-N 3.06Å; L390-E392 PolarHBondContact O-N 2.88Å
393	L	97.8	Very high	98.4	Very high	59 Å²	59	22.9 Å²	22.9	31%	0.309	14%	0.139	S	C	.	.	H	α-helix	trans	-68.6	-34.3	179.4	-69.2	179.3	0	0	0	113.2	H389 L390 E391 I435 V439	H389-L393 WeakPolarHBondContact NE2-CD1 3.48Å; H389-L393 WeakPolarHBondContact O-CG 3.38Å; H389-L393 PolarHBondContact O-N 3.35Å; H389-L393 VanDerWaalsContact O-N 3.14Å; L390-L393 PolarHBondContact O-N 3Å; E391-L393 VanDerWaalsContact C-N 3.33Å; E391-L393 PolarHBondContact O-N 3.41Å; L393-I435 HydrophobicContact CB-CG2 3.99Å; L393-I435 HydrophobicContact CD1-CG2 4.39Å; L393-I435 HydrophobicContact CD2-CG2 4.28Å; L393-I435 HydrophobicContact CG-CG2 4.47Å; L393-V439 HydrophobicContact CD1-CG2 3.74Å
394	M	98.1	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-88.7	-1.6	-173.3	-66.4	-55.9	104	0	0	113.4	L390 E391 V399 F400 F429 K432 I435 L436	L390-M394 WeakPolarHBondContact O-CB 3.39Å; L390-M394 WeakPolarHBondContact O-CG 3.21Å; L390-M394 PolarHBondContact O-N 2.93Å; E391-M394 PolarHBondContact O-N 3.49Å; M394-V399 WeakPolarHBondContact O-CG1 3.34Å; M394-F400 HydrophobicContact CB-CD2 4.24Å; M394-F400 HydrophobicContact CG-CD2 4.3Å; M394-F429 HydrophobicContact CB-CD1 4.48Å; M394-F429 HydrophobicContact CB-CE1 3.95Å; M394-F429 HydrophobicContact CB-CE2 4.38Å; M394-F429 HydrophobicContact CB-CZ 3.89Å; M394-F429 HydrophobicContact CG-CD1 4.33Å; M394-F429 HydrophobicContact CG-CD2 4.13Å; M394-F429 HydrophobicContact CG-CE1 4.16Å; M394-F429 HydrophobicContact CG-CE2 3.94Å; M394-F429 HydrophobicContact CG-CG 4.32Å; M394-F429 HydrophobicContact CG-CZ 3.96Å; M394-F429 HydrophobicContact SD-CB 4.09Å; M394-F429 HydrophobicContact SD-CD1 3.9Å; M394-F429 HydrophobicContact SD-CD2 4.02Å; M394-F429 HydrophobicContact SD-CE1 4.32Å; M394-F429 HydrophobicContact SD-CE2 4.42Å; M394-F429 HydrophobicContact SD-CG 3.74Å; M394-K432 PolarHBondContact O-NZ 2.54Å; M394-K432 HydrophobicContact SD-CB 4.13Å; M394-K432 HydrophobicContact SD-CD 4.01Å; M394-I435 HydrophobicContact CE-CB 3.88Å; M394-I435 HydrophobicContact CE-CG2 3.49Å; M394-I435 VanDerWaalsContact CE-CG2 3.49Å; M394-L436 HydrophobicContact CE-CD2 3.72Å; M394-L436 HydrophobicContact CE-CG 4.17Å; M394-L436 HydrophobicContact SD-CD2 3.96Å; M394-L436 HydrophobicContact SD-CG 4.33Å
395	G	97.1	Very high	98.4	Very high	50 Å²	50	26.1 Å²	26.1	52%	0.515	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.9	27.5	172.2	0	0	0	0	0	114.7	E391	E391-G395 PolarHBondContact O-N 3.49Å
396	G	97.9	Very high	98.4	Very high	17 Å²	17	27.2 Å²	27.2	18%	0.175	16%	0.161	C	C	.	.	S	Bend	trans	99.8	173.7	168.7	0	0	0	0	0	115	E391 E398 V399 F400	E391-G396 VanDerWaalsContact CG-C 3.44Å; E391-G396 PolarHBondContact O-N 2.94Å; G396-E398 PolarHBondContact O-N 3.31Å; G396-V399 PolarHBondContact O-N 3.24Å; G396-F400 PolarHBondContact O-N 3.03Å; G396-F400 VanDerWaalsContact O-N 3.08Å
397	P	98	Very high	98.4	Very high	16 Å²	16	27.3 Å²	27.3	10%	0.104	16%	0.161	C	C	.	.	H	α-helix	trans	-63.4	-34	-167.5	20.5	-30.7	0	0	0	114	M324 R327 E391 M401	M324-P397 HydrophobicContact CE-CB 4.09Å; M324-P397 HydrophobicContact SD-CB 4.18Å; R327-P397 VanDerWaalsContact CZ-CG 3.42Å; R327-P397 VanDerWaalsContact NH1-CB 3.33Å; R327-P397 VanDerWaalsContact NH1-CG 3.31Å; E391-P397 HydrophobicContact CG-CB 4.25Å; E391-P397 WeakPolarHBondContact OE1-CB 3.45Å; P397-M401 WeakPolarHBondContact O-CB 3Å; P397-M401 PolarHBondContact O-N 3.42Å
398	E	98.2	Very high	98.4	Very high	120 Å²	120	27.5 Å²	27.5	56%	0.561	16%	0.162	S	C	*	.	H	α-helix	trans	-67.2	-41.5	178.4	-65.9	67.9	-146.1	0	0	111.5	R327 G396 G402	R327-E398 IonicContact CZ-OE1 2.97Å; R327-E398 VanDerWaalsContact CZ-OE1 3.22Å; R327-E398 IonicContact NH1-OE1 3.05Å; R327-E398 PolarHBondContact NH1-OE1 2.93Å; R327-E398 IonicContact NH2-OE1 3.16Å; R327-E398 PolarHBondContact NH2-OE1 2.9Å; G396-E398 PolarHBondContact O-N 3.31Å; E398-G402 PolarHBondContact O-N 3.24Å
399	V	98.6	Very high	98.4	Very high	60 Å²	60	32.8 Å²	32.8	36%	0.364	19%	0.187	S	C	.	.	H	α-helix	trans	-67.5	-45.5	179	177.9	0	0	0	0	110.4	M394 G396 G402 F403 F429	M394-V399 WeakPolarHBondContact O-CG1 3.34Å; G396-V399 PolarHBondContact O-N 3.24Å; V399-G402 PolarHBondContact O-N 2.94Å; V399-F403 PolarHBondContact O-N 3Å; V399-F429 HydrophobicContact CG1-CE1 3.78Å; V399-F429 HydrophobicContact CG1-CZ 4.26Å
400	F	98.8	Very high	98.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-72.9	-36.2	-177.9	-160.1	-100.7	0	0	0	112.7	Y320 L387 L390 E391 M394 G396 G402 F403 V404 L425 F429	Y320-F400 HydrophobicContact CE1-CD1 4.09Å; Y320-F400 HydrophobicContact CE2-CD1 4.02Å; Y320-F400 HydrophobicContact CE2-CE1 4.38Å; Y320-F400 AromaticContact CZ-CD1 3.61Å; Y320-F400 WeakPolarHBondContact OH-CD1 3.47Å; L387-F400 HydrophobicContact CB-CE1 3.99Å; L387-F400 HydrophobicContact CB-CZ 4.4Å; L387-F400 HydrophobicContact CD2-CE1 4.08Å; L387-F400 HydrophobicContact CD2-CZ 3.94Å; L390-F400 HydrophobicContact CB-CD2 4.33Å; L390-F400 HydrophobicContact CB-CE2 3.52Å; L390-F400 HydrophobicContact CB-CZ 3.81Å; L390-F400 HydrophobicContact CD1-CZ 4.37Å; E391-F400 HydrophobicContact CB-CB 3.84Å; E391-F400 HydrophobicContact CB-CD1 4.11Å; E391-F400 HydrophobicContact CB-CD2 4.48Å; E391-F400 HydrophobicContact CB-CG 3.88Å; E391-F400 HydrophobicContact CG-CB 3.9Å; E391-F400 HydrophobicContact CG-CG 4.48Å; M394-F400 HydrophobicContact CB-CD2 4.24Å; M394-F400 HydrophobicContact CG-CD2 4.3Å; G396-F400 PolarHBondContact O-N 3.03Å; G396-F400 VanDerWaalsContact O-N 3.08Å; F400-G402 PolarHBondContact O-N 3.16Å; F400-F403 HydrophobicContact CD2-CD1 4.4Å; F400-F403 HydrophobicContact CE1-CD1 4.3Å; F400-F403 AromaticContact CE2-CD1 3.91Å; F400-F403 HydrophobicContact CE2-CD1 3.91Å; F400-F403 HydrophobicContact CE2-CE1 4.42Å; F400-F403 AromaticContact CZ-CD1 3.88Å; F400-F403 HydrophobicContact CZ-CD1 3.88Å; F400-F403 HydrophobicContact CZ-CE1 4.14Å; F400-F403 WeakPolarHBondContact O-CA 3.38Å; F400-F403 VanDerWaalsContact O-CB 3.31Å; F400-F403 WeakPolarHBondContact O-CB 3.32Å; F400-F403 PolarHBondContact O-N 3.09Å; F400-V404 HydrophobicContact CD1-CG2 4.06Å; F400-V404 HydrophobicContact CE1-CG2 4.02Å; F400-V404 PolarHBondContact O-N 3.22Å; F400-L425 HydrophobicContact CE2-CD1 4.18Å; F400-F429 HydrophobicContact CD2-CE2 4.25Å; F400-F429 HydrophobicContact CD2-CZ 4.29Å; F400-F429 HydrophobicContact CE2-CE2 4.39Å
401	M	98.5	Very high	98.4	Very high	14 Å²	14	41.1 Å²	41.1	7%	0.069	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-31.7	171.7	-168.4	65.8	-130.4	0	0	111.8	L244 Y320 L321 M324 P397 F403 V404 K405	L244-M401 HydrophobicContact CB-CE 4.01Å; L244-M401 HydrophobicContact CB-SD 4.39Å; L244-M401 HydrophobicContact CD2-CG 3.97Å; L244-M401 HydrophobicContact CD2-SD 4.29Å; L244-M401 WeakPolarHBondContact O-CE 3.28Å; Y320-M401 HydrophobicContact CE1-SD 4.11Å; L321-M401 HydrophobicContact CD1-CE 3.98Å; L321-M401 HydrophobicContact CD1-SD 4.35Å; M324-M401 HydrophobicContact CE-CB 4.26Å; M324-M401 HydrophobicContact CE-CG 4.38Å; M324-M401 HydrophobicContact CE-SD 4.47Å; M324-M401 HydrophobicContact CG-SD 4.43Å; P397-M401 WeakPolarHBondContact O-CB 3Å; P397-M401 PolarHBondContact O-N 3.42Å; M401-F403 VanDerWaalsContact C-N 3.35Å; M401-V404 HydrophobicContact CE-CB 3.79Å; M401-V404 HydrophobicContact CE-CG1 3.59Å; M401-V404 PolarHBondContact O-N 3.09Å; M401-V404 HydrophobicContact SD-CB 4.26Å; M401-V404 HydrophobicContact SD-CG1 4.4Å; M401-K405 WeakPolarHBondContact O-CB 3.38Å; M401-K405 PolarHBondContact O-N 2.89Å
402	G	98.7	Very high	98.4	Very high	27 Å²	27	42.1 Å²	42.1	28%	0.278	23%	0.228	S	C	.	.	H	α-helix	trans	-58.2	-44.3	169.1	0	0	0	0	0	112.7	E398 V399 F400 S406 Y428	E398-G402 PolarHBondContact O-N 3.24Å; V399-G402 PolarHBondContact O-N 2.94Å; F400-G402 PolarHBondContact O-N 3.16Å; G402-S406 WeakPolarHBondContact O-CB 3.48Å; G402-S406 PolarHBondContact O-N 3.39Å; G402-Y428 VanDerWaalsContact C-OH 3.25Å; G402-Y428 PolarHBondContact O-OH 3.35Å
403	F	98.9	Very high	98.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-48.1	172.1	163	-105.2	0	0	0	111.8	V399 F400 M401 K405 S406 Y407 W421 Y424 L425 Y428 F429	V399-F403 PolarHBondContact O-N 3Å; F400-F403 HydrophobicContact CD2-CD1 4.4Å; F400-F403 HydrophobicContact CE1-CD1 4.3Å; F400-F403 AromaticContact CE2-CD1 3.91Å; F400-F403 HydrophobicContact CE2-CD1 3.91Å; F400-F403 HydrophobicContact CE2-CE1 4.42Å; F400-F403 AromaticContact CZ-CD1 3.88Å; F400-F403 HydrophobicContact CZ-CD1 3.88Å; F400-F403 HydrophobicContact CZ-CE1 4.14Å; F400-F403 WeakPolarHBondContact O-CA 3.38Å; F400-F403 VanDerWaalsContact O-CB 3.31Å; F400-F403 WeakPolarHBondContact O-CB 3.32Å; F400-F403 PolarHBondContact O-N 3.09Å; M401-F403 VanDerWaalsContact C-N 3.35Å; F403-K405 VanDerWaalsContact C-N 3.34Å; F403-K405 PolarHBondContact O-N 2.82Å; F403-S406 CarbonylContact O-C 3.56Å; F403-S406 WeakPolarHBondContact O-CB 3.45Å; F403-S406 PolarHBondContact O-N 2.99Å; F403-S406 VanDerWaalsContact O-N 3.11Å; F403-Y407 WeakPolarHBondContact O-CB 3.45Å; F403-Y407 PolarHBondContact O-N 3.25Å; F403-W421 HydrophobicContact CE1-CZ2 4.46Å; F403-W421 AromaticContact CE1-NE1 3.81Å; F403-W421 AromaticContact CZ-NE1 3.74Å; F403-Y424 AromaticContact CE2-CD1 3.8Å; F403-Y424 HydrophobicContact CE2-CD1 3.8Å; F403-Y424 HydrophobicContact CE2-CE1 4.24Å; F403-L425 HydrophobicContact CD1-CD1 3.9Å; F403-L425 HydrophobicContact CD2-CD1 4.06Å; F403-L425 HydrophobicContact CE1-CD1 3.6Å; F403-L425 HydrophobicContact CE2-CB 3.97Å; F403-L425 HydrophobicContact CE2-CD1 3.77Å; F403-L425 HydrophobicContact CE2-CG 4.49Å; F403-L425 HydrophobicContact CG-CD1 4.12Å; F403-L425 HydrophobicContact CZ-CB 3.87Å; F403-L425 HydrophobicContact CZ-CD1 3.53Å; F403-L425 HydrophobicContact CZ-CG 4.32Å; F403-Y428 HydrophobicContact CB-CD1 3.74Å; F403-Y428 HydrophobicContact CB-CE1 3.67Å; F403-Y428 HydrophobicContact CB-CG 4.33Å; F403-Y428 AromaticContact CD2-CD1 3.92Å; F403-Y428 HydrophobicContact CD2-CD1 3.92Å; F403-Y428 HydrophobicContact CD2-CD2 4.4Å; F403-Y428 AromaticContact CD2-CG 3.8Å; F403-Y428 HydrophobicContact CD2-CG 3.8Å; F403-Y428 HydrophobicContact CG-CD1 4.29Å; F403-Y428 PolarHBondContact N-OH 2.99Å; F403-F429 HydrophobicContact CB-CE2 3.56Å; F403-F429 HydrophobicContact CB-CZ 3.71Å; F403-F429 HydrophobicContact CD1-CE2 4.38Å; F403-F429 HydrophobicContact CD2-CE2 4.11Å; F403-F429 AromaticContact CG-CE2 3.75Å; F403-F429 HydrophobicContact CG-CE2 3.75Å; F403-F429 HydrophobicContact CG-CZ 4.4Å
404	V	98.8	Very high	98.5	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.4	-45.9	-179.3	174.7	0	0	0	0	111.1	Y320 F400 M401 S406 Y407 I408	Y320-V404 HydrophobicContact CD1-CG2 4.05Å; Y320-V404 HydrophobicContact CE1-CG2 3.84Å; F400-V404 HydrophobicContact CD1-CG2 4.06Å; F400-V404 HydrophobicContact CE1-CG2 4.02Å; F400-V404 PolarHBondContact O-N 3.22Å; M401-V404 HydrophobicContact CE-CB 3.79Å; M401-V404 HydrophobicContact CE-CG1 3.59Å; M401-V404 PolarHBondContact O-N 3.09Å; M401-V404 HydrophobicContact SD-CB 4.26Å; M401-V404 HydrophobicContact SD-CG1 4.4Å; V404-S406 VanDerWaalsContact C-N 3.34Å; V404-S406 PolarHBondContact O-N 3.14Å; V404-Y407 WeakPolarHBondContact O-CB 3.23Å; V404-Y407 PolarHBondContact O-N 3.15Å; V404-I408 HydrophobicContact CG1-CD1 3.88Å; V404-I408 WeakPolarHBondContact O-CD1 3.4Å; V404-I408 VanDerWaalsContact O-CG1 3.29Å; V404-I408 WeakPolarHBondContact O-CG1 3.47Å; V404-I408 PolarHBondContact O-N 2.78Å
405	K	98.8	Very high	98.5	Very high	68 Å²	68	44.6 Å²	44.6	30%	0.296	24%	0.24	S	C	.	.	H	α-helix	trans	-60.4	-43.6	175.4	-170.3	173	-165.1	154	0	111.8	D243 L244 M401 F403 I408 Q409	D243-K405 PolarHBondContact O-NZ 3.45Å; L244-K405 WeakPolarHBondContact O-CD 3.38Å; M401-K405 WeakPolarHBondContact O-CB 3.38Å; M401-K405 PolarHBondContact O-N 2.89Å; F403-K405 VanDerWaalsContact C-N 3.34Å; F403-K405 PolarHBondContact O-N 2.82Å; K405-I408 PolarHBondContact O-N 3.07Å; K405-Q409 VanDerWaalsContact O-CG 3.3Å; K405-Q409 WeakPolarHBondContact O-CG 3.48Å; K405-Q409 PolarHBondContact O-N 2.79Å
406	S	98.8	Very high	98.6	Very high	25 Å²	25	42.3 Å²	42.3	18%	0.175	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-37.8	177.8	-163.8	0	0	0	0	112.4	G402 F403 V404 Q409 R410 Y424 Y428	G402-S406 WeakPolarHBondContact O-CB 3.48Å; G402-S406 PolarHBondContact O-N 3.39Å; F403-S406 CarbonylContact O-C 3.56Å; F403-S406 WeakPolarHBondContact O-CB 3.45Å; F403-S406 PolarHBondContact O-N 2.99Å; F403-S406 VanDerWaalsContact O-N 3.11Å; V404-S406 VanDerWaalsContact C-N 3.34Å; V404-S406 PolarHBondContact O-N 3.14Å; S406-Q409 PolarHBondContact O-N 3.45Å; S406-R410 VanDerWaalsContact O-CB 3.27Å; S406-R410 WeakPolarHBondContact O-CB 3.4Å; S406-R410 PolarHBondContact O-N 3.5Å; S406-Y424 PolarHBondContact O-OH 3.46Å; S406-Y424 PolarHBondContact OG-OH 3.33Å; S406-Y428 VanDerWaalsContact CB-CE2 3.43Å; S406-Y428 WeakPolarHBondContact OG-CE2 3.27Å
407	Y	98.9	Very high	98.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-47.8	174.9	163.3	-103.5	0	0	0	111.1	V303 F403 V404 Q409 R410 F411 V416 W421 Y424	V303-Y407 HydrophobicContact CB-CE1 4.5Å; V303-Y407 HydrophobicContact CG1-CE1 4.04Å; V303-Y407 HydrophobicContact CG1-CE2 4.32Å; V303-Y407 WeakPolarHBondContact CG1-OH 3.42Å; F403-Y407 WeakPolarHBondContact O-CB 3.45Å; F403-Y407 PolarHBondContact O-N 3.25Å; V404-Y407 WeakPolarHBondContact O-CB 3.23Å; V404-Y407 PolarHBondContact O-N 3.15Å; Y407-Q409 VanDerWaalsContact C-N 3.33Å; Y407-Q409 PolarHBondContact O-N 3.48Å; Y407-R410 PolarHBondContact O-N 2.98Å; Y407-F411 AromaticContact CD2-CD2 3.37Å; Y407-F411 HydrophobicContact CD2-CD2 3.37Å; Y407-F411 AromaticContact CD2-CE2 3.66Å; Y407-F411 HydrophobicContact CD2-CE2 3.66Å; Y407-F411 AromaticContact CE2-CD2 3.46Å; Y407-F411 HydrophobicContact CE2-CD2 3.46Å; Y407-F411 VanDerWaalsContact CE2-CD2 3.46Å; Y407-F411 AromaticContact CE2-CE2 3.84Å; Y407-F411 HydrophobicContact CE2-CE2 3.84Å; Y407-F411 HydrophobicContact CE2-CG 4.35Å; Y407-F411 HydrophobicContact CG-CD2 4.35Å; Y407-F411 WeakPolarHBondContact O-CD2 3.4Å; Y407-F411 PolarHBondContact O-N 3.26Å; Y407-V416 WeakPolarHBondContact OH-CG2 3.43Å; Y407-W421 AromaticContact CD2-CD1 3.86Å; Y407-W421 HydrophobicContact CE2-CB 4.2Å; Y407-W421 AromaticContact CE2-CD1 3.56Å; Y407-W421 HydrophobicContact CE2-CG 4.29Å; Y407-W421 AromaticContact CZ-CD1 3.84Å; Y407-Y424 HydrophobicContact CD2-CD1 4.29Å
408	I	98.8	Very high	98.6	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-57.7	-47.2	175.7	-69.4	163.1	0	0	0	110.5	A245 W298 T299 L302 V404 K405 A412	A245-I408 HydrophobicContact CB-CD1 3.89Å; W298-I408 HydrophobicContact CB-CD1 3.92Å; W298-I408 HydrophobicContact CB-CG1 4.31Å; W298-I408 HydrophobicContact CB-CG2 3.98Å; W298-I408 HydrophobicContact CG-CG2 4.23Å; T299-I408 HydrophobicContact CG2-CD1 4.07Å; T299-I408 HydrophobicContact CG2-CG1 4.19Å; L302-I408 HydrophobicContact CD2-CG2 4.28Å; V404-I408 HydrophobicContact CG1-CD1 3.88Å; V404-I408 WeakPolarHBondContact O-CD1 3.4Å; V404-I408 VanDerWaalsContact O-CG1 3.29Å; V404-I408 WeakPolarHBondContact O-CG1 3.47Å; V404-I408 PolarHBondContact O-N 2.78Å; K405-I408 PolarHBondContact O-N 3.07Å; I408-A412 WeakPolarHBondContact O-CA 3.36Å; I408-A412 WeakPolarHBondContact O-CB 3.29Å; I408-A412 PolarHBondContact O-N 3.09Å
409	Q	98.6	Very high	98.6	Very high	121 Å²	121	39.7 Å²	39.7	57%	0.565	20%	0.202	S	C	*	.	H	α-helix	trans	-63.7	-41.3	178	-72.5	173.9	-6.3	0	0	112.7	K405 S406 Y407	K405-Q409 VanDerWaalsContact O-CG 3.3Å; K405-Q409 WeakPolarHBondContact O-CG 3.48Å; K405-Q409 PolarHBondContact O-N 2.79Å; S406-Q409 PolarHBondContact O-N 3.45Å; Y407-Q409 VanDerWaalsContact C-N 3.33Å; Y407-Q409 PolarHBondContact O-N 3.48Å
410	R	98.6	Very high	98.7	Very high	168 Å²	168	39.5 Å²	39.5	63%	0.634	20%	0.199	S	C	*	.	H	α-helix	trans	-65	-41.1	-178	174.5	59.8	177.8	-179.6	0.4	112.5	S406 Y407 Y424	S406-R410 VanDerWaalsContact O-CB 3.27Å; S406-R410 WeakPolarHBondContact O-CB 3.4Å; S406-R410 PolarHBondContact O-N 3.5Å; Y407-R410 PolarHBondContact O-N 2.98Å; R410-Y424 HydrophobicContact CB-CE1 4.04Å; R410-Y424 HydrophobicContact CB-CE2 4.03Å; R410-Y424 HydrophobicContact CG-CD2 3.95Å; R410-Y424 HydrophobicContact CG-CE1 4.38Å; R410-Y424 HydrophobicContact CG-CE2 3.69Å; R410-Y424 HydrophobicContact CG-CG 4.4Å
411	F	98.8	Very high	98.7	Very high	30 Å²	30	39.5 Å²	39.5	13%	0.132	20%	0.199	C	C	.	.	H	α-helix	trans	-109.4	13	-171.7	-64.1	-72.8	0	0	0	113.5	V303 Y407 Y413 S414 V416 D420 Y424	V303-F411 HydrophobicContact CB-CB 4.48Å; V303-F411 HydrophobicContact CG1-CB 3.68Å; V303-F411 HydrophobicContact CG2-CB 4Å; Y407-F411 AromaticContact CD2-CD2 3.37Å; Y407-F411 HydrophobicContact CD2-CD2 3.37Å; Y407-F411 AromaticContact CD2-CE2 3.66Å; Y407-F411 HydrophobicContact CD2-CE2 3.66Å; Y407-F411 AromaticContact CE2-CD2 3.46Å; Y407-F411 HydrophobicContact CE2-CD2 3.46Å; Y407-F411 VanDerWaalsContact CE2-CD2 3.46Å; Y407-F411 AromaticContact CE2-CE2 3.84Å; Y407-F411 HydrophobicContact CE2-CE2 3.84Å; Y407-F411 HydrophobicContact CE2-CG 4.35Å; Y407-F411 HydrophobicContact CG-CD2 4.35Å; Y407-F411 WeakPolarHBondContact O-CD2 3.4Å; Y407-F411 PolarHBondContact O-N 3.26Å; F411-Y413 PolarHBondContact O-N 3.11Å; F411-S414 WeakPolarHBondContact O-CB 3.22Å; F411-S414 PolarHBondContact O-N 3.12Å; F411-V416 HydrophobicContact CB-CG1 3.83Å; F411-V416 HydrophobicContact CD1-CG1 3.31Å; F411-V416 HydrophobicContact CD2-CG1 4.38Å; F411-V416 HydrophobicContact CE1-CG1 3.85Å; F411-V416 HydrophobicContact CG-CG1 3.61Å; F411-D420 HydrophobicContact CE1-CB 4.28Å; F411-D420 HydrophobicContact CZ-CB 4.27Å; F411-Y424 AromaticContact CE2-CD1 3.96Å; F411-Y424 HydrophobicContact CE2-CD1 3.96Å; F411-Y424 HydrophobicContact CE2-CD2 4.44Å; F411-Y424 AromaticContact CE2-CG 3.76Å; F411-Y424 HydrophobicContact CE2-CG 3.76Å; F411-Y424 HydrophobicContact CZ-CG 4.28Å
412	A	98.6	Very high	98.7	Very high	25 Å²	25	41.1 Å²	41.1	21%	0.207	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	137.8	176.7	0	0	0	0	0	111.2	L302 I408 S414	L302-A412 HydrophobicContact CD1-CB 4.19Å; L302-A412 HydrophobicContact CD2-CB 4.04Å; L302-A412 HydrophobicContact CG-CB 3.94Å; I408-A412 WeakPolarHBondContact O-CA 3.36Å; I408-A412 WeakPolarHBondContact O-CB 3.29Å; I408-A412 PolarHBondContact O-N 3.09Å; A412-S414 PolarHBondContact O-N 3.18Å; A412-S414 PolarHBondContact O-OG 3.28Å
413	Y	98.4	Very high	98.7	Very high	125 Å²	125	44.6 Å²	44.6	49%	0.49	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	13.8	-177.3	-43.1	-75.3	0	0	0	115.1	V192 L302 F411	V192-Y413 HydrophobicContact CG1-CD1 4.08Å; V192-Y413 HydrophobicContact CG1-CE1 3.79Å; L302-Y413 HydrophobicContact CD1-CD1 3.44Å; L302-Y413 VanDerWaalsContact CD1-CD1 3.44Å; L302-Y413 HydrophobicContact CD1-CD2 4.35Å; L302-Y413 HydrophobicContact CD1-CE1 3.33Å; L302-Y413 HydrophobicContact CD1-CE2 4.27Å; L302-Y413 HydrophobicContact CD1-CG 3.97Å; L302-Y413 WeakPolarHBondContact O-CA 3.44Å; L302-Y413 PolarHBondContact O-N 2.68Å; F411-Y413 PolarHBondContact O-N 3.11Å
414	S	98	Very high	98.7	Very high	52 Å²	52	46.4 Å²	46.4	36%	0.364	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	167.3	-179	-53.7	0	0	0	0	112.1	K150 T304 F411 A412	K150-S414 WeakPolarHBondContact CE-O 3.39Å; K150-S414 PolarHBondContact NZ-O 3.17Å; T304-S414 PolarHBondContact N-O 3.36Å; T304-S414 VanDerWaalsContact N-O 3.08Å; F411-S414 WeakPolarHBondContact O-CB 3.22Å; F411-S414 PolarHBondContact O-N 3.12Å; A412-S414 PolarHBondContact O-N 3.18Å; A412-S414 PolarHBondContact O-OG 3.28Å
415	S	98.6	Very high	98.7	Very high	13 Å²	13	46.4 Å²	46.4	9%	0.091	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129	170.3	-50	0	0	0	0	110.3	P147 K150 T304	P147-S415 WeakPolarHBondContact O-CB 3.37Å; P147-S415 PolarHBondContact O-OG 3.42Å; K150-S415 WeakPolarHBondContact CE-OG 3.49Å; T304-S415 CarbonylContact O-C 3.09Å; T304-S415 WeakPolarHBondContact O-CA 3.29Å
416	V	98.6	Very high	98.7	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.1	-164.1	-65.8	0	0	0	0	113.3	V303 T304 R306 L313 Y407 F411 D420	V303-V416 HydrophobicContact CG1-CG1 4.36Å; V303-V416 HydrophobicContact CG1-CG2 3.71Å; T304-V416 PolarHBondContact O-N 2.84Å; R306-V416 WeakPolarHBondContact CB-O 3.47Å; R306-V416 PolarHBondContact N-O 2.56Å; L313-V416 HydrophobicContact CD1-CG2 3.97Å; Y407-V416 WeakPolarHBondContact OH-CG2 3.43Å; F411-V416 HydrophobicContact CB-CG1 3.83Å; F411-V416 HydrophobicContact CD1-CG1 3.31Å; F411-V416 HydrophobicContact CD2-CG1 4.38Å; F411-V416 HydrophobicContact CE1-CG1 3.85Å; F411-V416 HydrophobicContact CG-CG1 3.61Å; V416-D420 HydrophobicContact CB-CB 4.08Å; V416-D420 HydrophobicContact CG1-CB 4.37Å
417	T	98.8	Very high	98.7	Very high	8 Å²	8	48.6 Å²	48.6	5%	0.049	24%	0.239	C	C	.	.			trans	-94.6	166.1	172.7	64.4	0	0	0	0	111.2	M1 R306 D419 D420 W421	M1-T417 HydrophobicContact SD-CG2 3.99Å; R306-T417 HydrophobicContact CB-CG2 4Å; R306-T417 HydrophobicContact CG-CG2 4.39Å; T417-D419 PolarHBondContact O-N 3.04Å; T417-D419 PolarHBondContact OG1-N 3.18Å; T417-D420 WeakPolarHBondContact CB-OD2 3.14Å; T417-D420 PolarHBondContact N-OD2 3.35Å; T417-D420 PolarHBondContact O-N 3.15Å; T417-D420 PolarHBondContact OG1-N 2.91Å; T417-D420 VanDerWaalsContact OG1-N 3.15Å; T417-D420 PolarHBondContact OG1-OD2 2.88Å; T417-W421 PolarHBondContact O-N 3.4Å; T417-W421 VanDerWaalsContact O-N 3.13Å
418	T	98.8	Very high	98.7	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-55.7	-35.9	171.4	-62.5	0	0	0	0	111.7	H310 W312 V363 W421 K422 M445	H310-T418 PolarHBondContact ND1-N 3.44Å; H310-T418 VanDerWaalsContact ND1-N 3.16Å; H310-T418 PolarHBondContact ND1-OG1 3.1Å; W312-T418 HydrophobicContact CZ2-CG2 4.03Å; W312-T418 PolarHBondContact NE1-OG1 2.93Å; V363-T418 HydrophobicContact CG2-CG2 4.16Å; V363-T418 WeakPolarHBondContact CG2-OG1 3.22Å; T418-W421 PolarHBondContact O-N 3.17Å; T418-K422 WeakPolarHBondContact O-CB 3.48Å; T418-K422 PolarHBondContact O-N 2.66Å; T418-M445 HydrophobicContact CG2-CE 3.25Å; T418-M445 HydrophobicContact CG2-CG 4.45Å; T418-M445 HydrophobicContact CG2-SD 3.62Å
419	D	98.6	Very high	98.7	Very high	89 Å²	89	53.3 Å²	53.3	48%	0.476	26%	0.258	S	S	.	.	H	α-helix	trans	-70.4	-39.8	178.7	-71.6	-25	0	0	0	111.9	T417 W421 K422 N423	T417-D419 PolarHBondContact O-N 3.04Å; T417-D419 PolarHBondContact OG1-N 3.18Å; D419-W421 VanDerWaalsContact C-N 3.32Å; D419-W421 PolarHBondContact O-N 2.99Å; D419-K422 PolarHBondContact O-N 3.38Å; D419-N423 WeakPolarHBondContact O-CB 3.46Å; D419-N423 PolarHBondContact O-N 3.46Å; D419-N423 PolarHBondContact O-ND2 3.34Å
420	D	98.8	Very high	98.6	Very high	56 Å²	56	54.3 Å²	54.3	30%	0.299	26%	0.26	S	S	.	.	H	α-helix	trans	-58.3	-46.6	173.7	-63.4	-50.7	0	0	0	111	F411 V416 T417 Y424	F411-D420 HydrophobicContact CE1-CB 4.28Å; F411-D420 HydrophobicContact CZ-CB 4.27Å; V416-D420 HydrophobicContact CB-CB 4.08Å; V416-D420 HydrophobicContact CG1-CB 4.37Å; T417-D420 WeakPolarHBondContact CB-OD2 3.14Å; T417-D420 PolarHBondContact N-OD2 3.35Å; T417-D420 PolarHBondContact O-N 3.15Å; T417-D420 PolarHBondContact OG1-N 2.91Å; T417-D420 VanDerWaalsContact OG1-N 3.15Å; T417-D420 PolarHBondContact OG1-OD2 2.88Å; D420-Y424 WeakPolarHBondContact O-CB 3.31Å; D420-Y424 PolarHBondContact O-N 3.16Å
421	W	98.9	Very high	98.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-49.6	176.4	170.7	88.8	0	0	0	111.8	W312 L313 H317 L386 L387 L390 F403 Y407 T417 T418 D419 Y424 L425 W441 M445	W312-W421 AromaticContact CH2-CD2 3.82Å; W312-W421 HydrophobicContact CH2-CD2 3.82Å; W312-W421 AromaticContact CH2-CE2 3.86Å; W312-W421 AromaticContact CH2-CE3 3.74Å; W312-W421 HydrophobicContact CH2-CE3 3.74Å; W312-W421 AromaticContact CH2-CH2 3.81Å; W312-W421 HydrophobicContact CH2-CH2 3.81Å; W312-W421 AromaticContact CH2-CZ2 3.88Å; W312-W421 HydrophobicContact CH2-CZ2 3.88Å; W312-W421 AromaticContact CH2-CZ3 3.75Å; W312-W421 HydrophobicContact CH2-CZ3 3.75Å; W312-W421 HydrophobicContact CZ2-CD2 4.19Å; W312-W421 AromaticContact CZ2-CE3 3.88Å; W312-W421 HydrophobicContact CZ2-CE3 3.88Å; W312-W421 HydrophobicContact CZ2-CZ3 4.13Å; L313-W421 HydrophobicContact CD1-CB 4.47Å; L313-W421 HydrophobicContact CD2-CB 3.7Å; L313-W421 HydrophobicContact CD2-CD2 4.19Å; L313-W421 HydrophobicContact CD2-CG 3.65Å; H317-W421 AromaticContact CE1-CD1 3.49Å; H317-W421 VanDerWaalsContact CE1-CD1 3.49Å; H317-W421 AromaticContact CE1-CE2 3.91Å; H317-W421 AromaticContact CE1-NE1 3.13Å; H317-W421 PolarHBondContact CE1-NE1 3.34Å; H317-W421 AromaticContact NE2-CD1 3.53Å; H317-W421 AromaticContact NE2-CE2 3.88Å; H317-W421 AromaticContact NE2-NE1 2.9Å; H317-W421 PolarHBondContact NE2-NE1 3.1Å; L386-W421 HydrophobicContact CD2-CH2 4.21Å; L387-W421 HydrophobicContact CD2-CH2 4.43Å; L387-W421 HydrophobicContact CD2-CZ2 3.6Å; L390-W421 HydrophobicContact CD1-CH2 3.6Å; L390-W421 HydrophobicContact CD1-CZ2 4.02Å; F403-W421 HydrophobicContact CE1-CZ2 4.46Å; F403-W421 AromaticContact CE1-NE1 3.81Å; F403-W421 AromaticContact CZ-NE1 3.74Å; Y407-W421 AromaticContact CD2-CD1 3.86Å; Y407-W421 HydrophobicContact CE2-CB 4.2Å; Y407-W421 AromaticContact CE2-CD1 3.56Å; Y407-W421 HydrophobicContact CE2-CG 4.29Å; Y407-W421 AromaticContact CZ-CD1 3.84Å; T417-W421 PolarHBondContact O-N 3.4Å; T417-W421 VanDerWaalsContact O-N 3.13Å; T418-W421 PolarHBondContact O-N 3.17Å; D419-W421 VanDerWaalsContact C-N 3.32Å; D419-W421 PolarHBondContact O-N 2.99Å; W421-Y424 PolarHBondContact O-N 2.92Å; W421-L425 HydrophobicContact CH2-CD2 3.92Å; W421-L425 HydrophobicContact CZ2-CD2 4.29Å; W421-L425 HydrophobicContact CZ3-CD2 4.37Å; W421-L425 PolarHBondContact O-N 3.4Å; W421-W441 HydrophobicContact CH2-CH2 4.24Å; W421-W441 HydrophobicContact CH2-CZ3 4.06Å; W421-W441 HydrophobicContact CZ3-CH2 4.24Å; W421-W441 AromaticContact CZ3-CZ3 3.84Å; W421-W441 HydrophobicContact CZ3-CZ3 3.84Å; W421-M445 HydrophobicContact CE3-CE 4.47Å; W421-M445 HydrophobicContact CZ3-CE 4.04Å
422	K	98.8	Very high	98.6	Very high	47 Å²	47	55.2 Å²	55.2	20%	0.204	28%	0.276	C	S	.	.	H	α-helix	trans	-65	-44.1	-178.2	-174.9	-178.9	175.7	-179.3	0	111.2	T418 D419 Y424 L425 F426 W441 M445	T418-K422 WeakPolarHBondContact O-CB 3.48Å; T418-K422 PolarHBondContact O-N 2.66Å; D419-K422 PolarHBondContact O-N 3.38Å; K422-Y424 VanDerWaalsContact C-N 3.26Å; K422-Y424 PolarHBondContact O-N 2.96Å; K422-L425 WeakPolarHBondContact O-CB 3.43Å; K422-L425 PolarHBondContact O-N 3.27Å; K422-F426 HydrophobicContact CG-CD2 4.05Å; K422-F426 HydrophobicContact CG-CE2 3.93Å; K422-F426 VanDerWaalsContact O-CD2 3.3Å; K422-F426 WeakPolarHBondContact O-CD2 3.37Å; K422-F426 PolarHBondContact O-N 3.48Å; K422-W441 HydrophobicContact CD-CD2 4.2Å; K422-W441 HydrophobicContact CD-CE3 4.33Å; K422-W441 VanDerWaalsContact CE-CD2 3.47Å; K422-M445 HydrophobicContact CD-CE 4.06Å
423	N	98.8	Very high	98.6	Very high	101 Å²	101	56.3 Å²	56.3	54%	0.54	28%	0.279	S	S	.	.	H	α-helix	trans	-59.8	-39.8	176.5	-71.8	-28.6	0	0	0	111.3	D419 F426 T427	D419-N423 WeakPolarHBondContact O-CB 3.46Å; D419-N423 PolarHBondContact O-N 3.46Å; D419-N423 PolarHBondContact O-ND2 3.34Å; N423-F426 PolarHBondContact O-N 3.42Å; N423-T427 PolarHBondContact O-N 2.74Å; N423-T427 PolarHBondContact O-OG1 3.21Å
424	Y	98.9	Very high	98.6	Very high	38 Å²	38	56 Å²	56	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-69.7	-37.7	176	-170	-113	0	0	0	112.9	F403 S406 Y407 R410 F411 D420 W421 K422 F426 T427 Y428	F403-Y424 AromaticContact CE2-CD1 3.8Å; F403-Y424 HydrophobicContact CE2-CD1 3.8Å; F403-Y424 HydrophobicContact CE2-CE1 4.24Å; S406-Y424 PolarHBondContact O-OH 3.46Å; S406-Y424 PolarHBondContact OG-OH 3.33Å; Y407-Y424 HydrophobicContact CD2-CD1 4.29Å; R410-Y424 HydrophobicContact CB-CE1 4.04Å; R410-Y424 HydrophobicContact CB-CE2 4.03Å; R410-Y424 HydrophobicContact CG-CD2 3.95Å; R410-Y424 HydrophobicContact CG-CE1 4.38Å; R410-Y424 HydrophobicContact CG-CE2 3.69Å; R410-Y424 HydrophobicContact CG-CG 4.4Å; F411-Y424 AromaticContact CE2-CD1 3.96Å; F411-Y424 HydrophobicContact CE2-CD1 3.96Å; F411-Y424 HydrophobicContact CE2-CD2 4.44Å; F411-Y424 AromaticContact CE2-CG 3.76Å; F411-Y424 HydrophobicContact CE2-CG 3.76Å; F411-Y424 HydrophobicContact CZ-CG 4.28Å; D420-Y424 WeakPolarHBondContact O-CB 3.31Å; D420-Y424 PolarHBondContact O-N 3.16Å; W421-Y424 PolarHBondContact O-N 2.92Å; K422-Y424 VanDerWaalsContact C-N 3.26Å; K422-Y424 PolarHBondContact O-N 2.96Å; Y424-F426 PolarHBondContact O-N 2.77Å; Y424-T427 WeakPolarHBondContact O-CB 3.38Å; Y424-T427 PolarHBondContact O-N 2.87Å; Y424-T427 VanDerWaalsContact O-N 3.16Å; Y424-Y428 WeakPolarHBondContact O-CB 3.47Å; Y424-Y428 PolarHBondContact O-N 3.27Å
425	L	98.9	Very high	98.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.2	-48.7	172	-178.9	76.5	0	0	0	111.5	L390 F400 F403 W421 K422 T427 Y428 F429 L436 W441	L390-L425 HydrophobicContact CD1-CD2 4.01Å; L390-L425 HydrophobicContact CD2-CD2 4.43Å; F400-L425 HydrophobicContact CE2-CD1 4.18Å; F403-L425 HydrophobicContact CD1-CD1 3.9Å; F403-L425 HydrophobicContact CD2-CD1 4.06Å; F403-L425 HydrophobicContact CE1-CD1 3.6Å; F403-L425 HydrophobicContact CE2-CB 3.97Å; F403-L425 HydrophobicContact CE2-CD1 3.77Å; F403-L425 HydrophobicContact CE2-CG 4.49Å; F403-L425 HydrophobicContact CG-CD1 4.12Å; F403-L425 HydrophobicContact CZ-CB 3.87Å; F403-L425 HydrophobicContact CZ-CD1 3.53Å; F403-L425 HydrophobicContact CZ-CG 4.32Å; W421-L425 HydrophobicContact CH2-CD2 3.92Å; W421-L425 HydrophobicContact CZ2-CD2 4.29Å; W421-L425 HydrophobicContact CZ3-CD2 4.37Å; W421-L425 PolarHBondContact O-N 3.4Å; K422-L425 WeakPolarHBondContact O-CB 3.43Å; K422-L425 PolarHBondContact O-N 3.27Å; L425-T427 VanDerWaalsContact C-N 3.3Å; L425-T427 PolarHBondContact O-N 3.32Å; L425-Y428 PolarHBondContact O-N 3.3Å; L425-F429 HydrophobicContact CD1-CD2 3.58Å; L425-F429 HydrophobicContact CD1-CE2 3.69Å; L425-F429 HydrophobicContact CG-CD2 4.23Å; L425-F429 PolarHBondContact O-N 2.68Å; L425-L436 HydrophobicContact CD2-CD2 3.93Å; L425-L436 HydrophobicContact CG-CD1 4.3Å; L425-L436 HydrophobicContact CG-CD2 4.34Å; L425-W441 HydrophobicContact CD2-CH2 3.55Å; L425-W441 HydrophobicContact CD2-CZ2 4.08Å
426	F	98.8	Very high	98.6	Very high	46 Å²	46	55.7 Å²	55.7	20%	0.202	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-35.4	176.5	-86.3	-105.7	0	0	0	112.5	K422 N423 Y424 F429 K430 V433 L436 N437 W441	K422-F426 HydrophobicContact CG-CD2 4.05Å; K422-F426 HydrophobicContact CG-CE2 3.93Å; K422-F426 VanDerWaalsContact O-CD2 3.3Å; K422-F426 WeakPolarHBondContact O-CD2 3.37Å; K422-F426 PolarHBondContact O-N 3.48Å; N423-F426 PolarHBondContact O-N 3.42Å; Y424-F426 PolarHBondContact O-N 2.77Å; F426-F429 CarbonylContact O-C 3.47Å; F426-K430 WeakPolarHBondContact O-CA 3.39Å; F426-K430 PolarHBondContact O-N 3.31Å; F426-K430 VanDerWaalsContact O-N 3.16Å; F426-V433 HydrophobicContact CD1-CG1 4.12Å; F426-L436 HydrophobicContact CD1-CB 4.37Å; F426-L436 HydrophobicContact CD1-CD1 4.17Å; F426-L436 HydrophobicContact CD2-CD1 3.98Å; F426-L436 HydrophobicContact CE1-CB 3.78Å; F426-L436 HydrophobicContact CE1-CD1 4.39Å; F426-L436 HydrophobicContact CE2-CB 4Å; F426-L436 HydrophobicContact CE2-CD1 4.22Å; F426-L436 HydrophobicContact CG-CD1 3.97Å; F426-L436 HydrophobicContact CZ-CB 3.58Å; F426-L436 HydrophobicContact CZ-CD1 4.43Å; F426-N437 WeakPolarHBondContact CE1-OD1 3.11Å; F426-W441 AromaticContact CE2-CE2 3.96Å; F426-W441 AromaticContact CE2-CZ2 3.79Å; F426-W441 HydrophobicContact CE2-CZ2 3.79Å; F426-W441 AromaticContact CE2-NE1 3.94Å; F426-W441 HydrophobicContact CZ-CZ2 4.36Å; F426-W441 AromaticContact CZ-NE1 3.8Å
427	T	98.7	Very high	98.6	Very high	93 Å²	93	60.7 Å²	60.7	57%	0.571	31%	0.306	S	S	*	.	H	α-helix	trans	-68.1	-44.2	176.2	-58.6	0	0	0	0	111.7	N423 Y424 L425	N423-T427 PolarHBondContact O-N 2.74Å; N423-T427 PolarHBondContact O-OG1 3.21Å; Y424-T427 WeakPolarHBondContact O-CB 3.38Å; Y424-T427 PolarHBondContact O-N 2.87Å; Y424-T427 VanDerWaalsContact O-N 3.16Å; L425-T427 VanDerWaalsContact C-N 3.3Å; L425-T427 PolarHBondContact O-N 3.32Å
428	Y	98.8	Very high	98.5	Very high	91 Å²	91	68.8 Å²	68.8	36%	0.357	34%	0.34	S	S	.	.	H	α-helix	trans	-67.8	-44.2	-179.5	-172.3	-88	0	0	0	111.3	G402 F403 S406 Y424 L425 K430	G402-Y428 VanDerWaalsContact C-OH 3.25Å; G402-Y428 PolarHBondContact O-OH 3.35Å; F403-Y428 HydrophobicContact CB-CD1 3.74Å; F403-Y428 HydrophobicContact CB-CE1 3.67Å; F403-Y428 HydrophobicContact CB-CG 4.33Å; F403-Y428 AromaticContact CD2-CD1 3.92Å; F403-Y428 HydrophobicContact CD2-CD1 3.92Å; F403-Y428 HydrophobicContact CD2-CD2 4.4Å; F403-Y428 AromaticContact CD2-CG 3.8Å; F403-Y428 HydrophobicContact CD2-CG 3.8Å; F403-Y428 HydrophobicContact CG-CD1 4.29Å; F403-Y428 PolarHBondContact N-OH 2.99Å; S406-Y428 VanDerWaalsContact CB-CE2 3.43Å; S406-Y428 WeakPolarHBondContact OG-CE2 3.27Å; Y424-Y428 WeakPolarHBondContact O-CB 3.47Å; Y424-Y428 PolarHBondContact O-N 3.27Å; L425-Y428 PolarHBondContact O-N 3.3Å; Y428-K430 PolarHBondContact O-N 3.28Å
429	F	98.7	Very high	98.5	Very high	13 Å²	13	69.1 Å²	69.1	6%	0.057	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	41	177.5	-67	-67.8	0	0	0	112.7	M394 V399 F400 F403 L425 F426 D431 K432 V433 L436	M394-F429 HydrophobicContact CB-CD1 4.48Å; M394-F429 HydrophobicContact CB-CE1 3.95Å; M394-F429 HydrophobicContact CB-CE2 4.38Å; M394-F429 HydrophobicContact CB-CZ 3.89Å; M394-F429 HydrophobicContact CG-CD1 4.33Å; M394-F429 HydrophobicContact CG-CD2 4.13Å; M394-F429 HydrophobicContact CG-CE1 4.16Å; M394-F429 HydrophobicContact CG-CE2 3.94Å; M394-F429 HydrophobicContact CG-CG 4.32Å; M394-F429 HydrophobicContact CG-CZ 3.96Å; M394-F429 HydrophobicContact SD-CB 4.09Å; M394-F429 HydrophobicContact SD-CD1 3.9Å; M394-F429 HydrophobicContact SD-CD2 4.02Å; M394-F429 HydrophobicContact SD-CE1 4.32Å; M394-F429 HydrophobicContact SD-CE2 4.42Å; M394-F429 HydrophobicContact SD-CG 3.74Å; V399-F429 HydrophobicContact CG1-CE1 3.78Å; V399-F429 HydrophobicContact CG1-CZ 4.26Å; F400-F429 HydrophobicContact CD2-CE2 4.25Å; F400-F429 HydrophobicContact CD2-CZ 4.29Å; F400-F429 HydrophobicContact CE2-CE2 4.39Å; F403-F429 HydrophobicContact CB-CE2 3.56Å; F403-F429 HydrophobicContact CB-CZ 3.71Å; F403-F429 HydrophobicContact CD1-CE2 4.38Å; F403-F429 HydrophobicContact CD2-CE2 4.11Å; F403-F429 AromaticContact CG-CE2 3.75Å; F403-F429 HydrophobicContact CG-CE2 3.75Å; F403-F429 HydrophobicContact CG-CZ 4.4Å; L425-F429 HydrophobicContact CD1-CD2 3.58Å; L425-F429 HydrophobicContact CD1-CE2 3.69Å; L425-F429 HydrophobicContact CG-CD2 4.23Å; L425-F429 PolarHBondContact O-N 2.68Å; F426-F429 CarbonylContact O-C 3.47Å; F429-D431 PolarHBondContact O-N 3.26Å; F429-D431 VanDerWaalsContact O-N 3.08Å; F429-K432 HydrophobicContact CB-CB 4.37Å; F429-K432 HydrophobicContact CD1-CD 4.47Å; F429-K432 CarbonylContact O-C 3.54Å; F429-K432 WeakPolarHBondContact O-CA 3.5Å; F429-K432 PolarHBondContact O-N 3Å; F429-V433 PolarHBondContact O-N 3.47Å; F429-L436 HydrophobicContact CB-CD1 4Å
430	K	98.3	Very high	98.5	Very high	141 Å²	141	69 Å²	69	61%	0.613	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-55.3	-29.1	-179.1	66.1	-178.5	-176.5	179.9	0	114	F426 Y428 K432 V433	F426-K430 WeakPolarHBondContact O-CA 3.39Å; F426-K430 PolarHBondContact O-N 3.31Å; F426-K430 VanDerWaalsContact O-N 3.16Å; Y428-K430 PolarHBondContact O-N 3.28Å; K430-K432 VanDerWaalsContact C-N 3.3Å; K430-V433 WeakPolarHBondContact O-CG1 3.43Å
431	D	98	Very high	98.5	Very high	147 Å²	147	67.2 Å²	67.2	79%	0.786	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-85.3	-2.2	178.9	-55	-42.2	0	0	0	112.9	F429	F429-D431 PolarHBondContact O-N 3.26Å; F429-D431 VanDerWaalsContact O-N 3.08Å
432	K	98.1	Very high	98.5	Very high	71 Å²	71	72.4 Å²	72.4	31%	0.309	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-125.4	20.2	178.3	-61.5	-172.3	179.4	-169.8	0	112.7	M394 F429 K430 D434 I435 L436	M394-K432 PolarHBondContact O-NZ 2.54Å; M394-K432 HydrophobicContact SD-CB 4.13Å; M394-K432 HydrophobicContact SD-CD 4.01Å; F429-K432 HydrophobicContact CB-CB 4.37Å; F429-K432 HydrophobicContact CD1-CD 4.47Å; F429-K432 CarbonylContact O-C 3.54Å; F429-K432 WeakPolarHBondContact O-CA 3.5Å; F429-K432 PolarHBondContact O-N 3Å; K430-K432 VanDerWaalsContact C-N 3.3Å; K432-D434 PolarHBondContact O-N 3.23Å; K432-I435 HydrophobicContact CB-CD1 4.29Å; K432-I435 HydrophobicContact CD-CD1 4.37Å; K432-I435 HydrophobicContact CG-CD1 4.44Å; K432-I435 WeakPolarHBondContact O-CB 3.34Å; K432-I435 PolarHBondContact O-N 2.94Å; K432-L436 PolarHBondContact O-N 2.7Å
433	V	98.3	Very high	98.4	Very high	47 Å²	47	70.5 Å²	70.5	29%	0.285	35%	0.352	S	S	.	.	H	α-helix	trans	-57	-32.4	179.4	-68.8	0	0	0	0	112.8	F426 F429 K430 I435 L436 N437	F426-V433 HydrophobicContact CD1-CG1 4.12Å; F429-V433 PolarHBondContact O-N 3.47Å; K430-V433 WeakPolarHBondContact O-CG1 3.43Å; V433-I435 PolarHBondContact O-N 3.09Å; V433-L436 PolarHBondContact O-N 2.96Å; V433-N437 WeakPolarHBondContact O-CB 3.29Å; V433-N437 PolarHBondContact O-N 2.99Å; V433-N437 PolarHBondContact O-ND2 2.99Å
434	D	98.3	Very high	98.4	Very high	119 Å²	119	65.8 Å²	65.8	64%	0.636	33%	0.327	S	S	*	.	H	α-helix	trans	-64.4	-27.6	176.3	-67.9	-23.5	0	0	0	113.1	K432 K438	K432-D434 PolarHBondContact O-N 3.23Å; D434-K438 WeakPolarHBondContact O-CE 3.39Å; D434-K438 WeakPolarHBondContact O-CG 3.34Å
435	I	98.3	Very high	98.4	Very high	59 Å²	59	64 Å²	64	30%	0.303	32%	0.32	S	S	.	.	H	α-helix	trans	-78.2	-46.6	173.2	-56.9	177.1	0	0	0	109.1	L393 M394 K432 V433 N437 K438	L393-I435 HydrophobicContact CB-CG2 3.99Å; L393-I435 HydrophobicContact CD1-CG2 4.39Å; L393-I435 HydrophobicContact CD2-CG2 4.28Å; L393-I435 HydrophobicContact CG-CG2 4.47Å; M394-I435 HydrophobicContact CE-CB 3.88Å; M394-I435 HydrophobicContact CE-CG2 3.49Å; M394-I435 VanDerWaalsContact CE-CG2 3.49Å; K432-I435 HydrophobicContact CB-CD1 4.29Å; K432-I435 HydrophobicContact CD-CD1 4.37Å; K432-I435 HydrophobicContact CG-CD1 4.44Å; K432-I435 WeakPolarHBondContact O-CB 3.34Å; K432-I435 PolarHBondContact O-N 2.94Å; V433-I435 PolarHBondContact O-N 3.09Å; I435-N437 VanDerWaalsContact C-N 3.28Å; I435-N437 PolarHBondContact O-N 3.29Å; I435-K438 WeakPolarHBondContact O-CB 3.48Å; I435-K438 PolarHBondContact O-N 3.42Å
436	L	98.3	Very high	98.3	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-62.3	-33.6	179	-65.8	178.1	0	0	0	113.1	L390 M394 L425 F426 F429 K432 V433 K438 V439 W441	L390-L436 HydrophobicContact CD2-CD2 4.08Å; M394-L436 HydrophobicContact CE-CD2 3.72Å; M394-L436 HydrophobicContact CE-CG 4.17Å; M394-L436 HydrophobicContact SD-CD2 3.96Å; M394-L436 HydrophobicContact SD-CG 4.33Å; L425-L436 HydrophobicContact CD2-CD2 3.93Å; L425-L436 HydrophobicContact CG-CD1 4.3Å; L425-L436 HydrophobicContact CG-CD2 4.34Å; F426-L436 HydrophobicContact CD1-CB 4.37Å; F426-L436 HydrophobicContact CD1-CD1 4.17Å; F426-L436 HydrophobicContact CD2-CD1 3.98Å; F426-L436 HydrophobicContact CE1-CB 3.78Å; F426-L436 HydrophobicContact CE1-CD1 4.39Å; F426-L436 HydrophobicContact CE2-CB 4Å; F426-L436 HydrophobicContact CE2-CD1 4.22Å; F426-L436 HydrophobicContact CG-CD1 3.97Å; F426-L436 HydrophobicContact CZ-CB 3.58Å; F426-L436 HydrophobicContact CZ-CD1 4.43Å; F429-L436 HydrophobicContact CB-CD1 4Å; K432-L436 PolarHBondContact O-N 2.7Å; V433-L436 PolarHBondContact O-N 2.96Å; L436-K438 PolarHBondContact O-N 3.27Å; L436-V439 WeakPolarHBondContact O-CB 3.28Å; L436-V439 PolarHBondContact O-N 2.91Å; L436-W441 HydrophobicContact CD2-CZ2 4.26Å; L436-W441 PolarHBondContact O-NE1 3.48Å
437	N	98.3	Very high	98.3	Very high	107 Å²	107	69.9 Å²	69.9	57%	0.572	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.4	176.1	-77.5	-27.8	0	0	0	113.2	F426 V433 I435	F426-N437 WeakPolarHBondContact CE1-OD1 3.11Å; V433-N437 WeakPolarHBondContact O-CB 3.29Å; V433-N437 PolarHBondContact O-N 2.99Å; V433-N437 PolarHBondContact O-ND2 2.99Å; I435-N437 VanDerWaalsContact C-N 3.28Å; I435-N437 PolarHBondContact O-N 3.29Å
438	K	98.1	Very high	98.3	Very high	177 Å²	177	67.4 Å²	67.4	77%	0.77	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-11.1	177.1	-65.8	171.7	-175	175.7	0	113.2	D434 I435 L436	D434-K438 WeakPolarHBondContact O-CE 3.39Å; D434-K438 WeakPolarHBondContact O-CG 3.34Å; I435-K438 WeakPolarHBondContact O-CB 3.48Å; I435-K438 PolarHBondContact O-N 3.42Å; L436-K438 PolarHBondContact O-N 3.27Å
439	V	98.4	Very high	98.2	Very high	10 Å²	10	63.3 Å²	63.3	6%	0.061	32%	0.322	C	S	.	.	S	Bend	trans	-69.9	129.9	175.9	177.5	0	0	0	0	108.8	L390 L393 L436 W441	L390-V439 HydrophobicContact CD2-CG2 4.11Å; L393-V439 HydrophobicContact CD1-CG2 3.74Å; L436-V439 WeakPolarHBondContact O-CB 3.28Å; L436-V439 PolarHBondContact O-N 2.91Å; V439-W441 HydrophobicContact CB-CD2 4.27Å; V439-W441 HydrophobicContact CB-CZ2 4.06Å; V439-W441 HydrophobicContact CG1-CD2 3.92Å; V439-W441 HydrophobicContact CG1-CE3 4.12Å; V439-W441 HydrophobicContact CG1-CG 4.4Å; V439-W441 HydrophobicContact CG1-CH2 4.33Å; V439-W441 HydrophobicContact CG1-CZ2 4.11Å; V439-W441 HydrophobicContact CG1-CZ3 4.33Å; V439-W441 HydrophobicContact CG2-CZ2 4.39Å; V439-W441 PolarHBondContact O-N 3.31Å
440	D	98.3	Very high	98.2	Very high	85 Å²	85	65 Å²	65	46%	0.455	33%	0.331	S	S	.	.			trans	-73.4	75.7	173.5	-178.5	10.5	0	0	0	110.9	N442 G443 W444	D440-N442 PolarHBondContact O-N 3.03Å; D440-N442 PolarHBondContact OD1-N 2.93Å; D440-G443 PolarHBondContact O-N 3.34Å; D440-G443 PolarHBondContact OD1-N 2.9Å; D440-G443 WeakPolarHBondContact OD2-CA 3.27Å; D440-W444 PolarHBondContact O-N 3.45Å
441	W	98.4	Very high	98.2	Very high	19 Å²	19	58.9 Å²	58.9	7%	0.072	31%	0.306	C	S	.	.	H	α-helix	trans	-58.6	-35	-177.7	-67.8	107.9	0	0	0	113	L386 L390 W421 K422 L425 F426 L436 V439 M445	L386-W441 HydrophobicContact CD1-CZ3 4.19Å; L390-W441 HydrophobicContact CD1-CH2 4.05Å; L390-W441 HydrophobicContact CD1-CZ3 4.42Å; L390-W441 HydrophobicContact CD2-CH2 3.9Å; L390-W441 HydrophobicContact CD2-CZ2 4.4Å; W421-W441 HydrophobicContact CH2-CH2 4.24Å; W421-W441 HydrophobicContact CH2-CZ3 4.06Å; W421-W441 HydrophobicContact CZ3-CH2 4.24Å; W421-W441 AromaticContact CZ3-CZ3 3.84Å; W421-W441 HydrophobicContact CZ3-CZ3 3.84Å; K422-W441 HydrophobicContact CD-CD2 4.2Å; K422-W441 HydrophobicContact CD-CE3 4.33Å; K422-W441 VanDerWaalsContact CE-CD2 3.47Å; L425-W441 HydrophobicContact CD2-CH2 3.55Å; L425-W441 HydrophobicContact CD2-CZ2 4.08Å; F426-W441 AromaticContact CE2-CE2 3.96Å; F426-W441 AromaticContact CE2-CZ2 3.79Å; F426-W441 HydrophobicContact CE2-CZ2 3.79Å; F426-W441 AromaticContact CE2-NE1 3.94Å; F426-W441 HydrophobicContact CZ-CZ2 4.36Å; F426-W441 AromaticContact CZ-NE1 3.8Å; L436-W441 HydrophobicContact CD2-CZ2 4.26Å; L436-W441 PolarHBondContact O-NE1 3.48Å; V439-W441 HydrophobicContact CB-CD2 4.27Å; V439-W441 HydrophobicContact CB-CZ2 4.06Å; V439-W441 HydrophobicContact CG1-CD2 3.92Å; V439-W441 HydrophobicContact CG1-CE3 4.12Å; V439-W441 HydrophobicContact CG1-CG 4.4Å; V439-W441 HydrophobicContact CG1-CH2 4.33Å; V439-W441 HydrophobicContact CG1-CZ2 4.11Å; V439-W441 HydrophobicContact CG1-CZ3 4.33Å; V439-W441 HydrophobicContact CG2-CZ2 4.39Å; V439-W441 PolarHBondContact O-N 3.31Å; W441-M445 HydrophobicContact CE3-CE 3.67Å; W441-M445 HydrophobicContact CE3-SD 4.47Å; W441-M445 HydrophobicContact CZ3-CE 4.01Å; W441-M445 VanDerWaalsContact O-CB 3.24Å; W441-M445 WeakPolarHBondContact O-CB 3.48Å; W441-M445 VanDerWaalsContact O-CG 3.26Å; W441-M445 WeakPolarHBondContact O-CG 3.47Å; W441-M445 PolarHBondContact O-N 3.13Å
442	N	98.3	Very high	98.1	Very high	109 Å²	109	54.9 Å²	54.9	58%	0.583	29%	0.288	S	S	*	.	H	α-helix	trans	-72.6	-41.3	178.6	-76.8	-22.9	0	0	0	111.5	D440 W444 F446 T447	D440-N442 PolarHBondContact O-N 3.03Å; D440-N442 PolarHBondContact OD1-N 2.93Å; N442-W444 VanDerWaalsContact C-N 3.34Å; N442-F446 PolarHBondContact O-N 3.13Å; N442-T447 PolarHBondContact O-N 2.72Å; N442-T447 PolarHBondContact O-OG1 2.83Å
443	G	98.1	Very high	98	Very high	8 Å²	8	54.2 Å²	54.2	8%	0.082	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-42	172.6	0	0	0	0	0	112.7	D440 T447	D440-G443 PolarHBondContact O-N 3.34Å; D440-G443 PolarHBondContact OD1-N 2.9Å; D440-G443 WeakPolarHBondContact OD2-CA 3.27Å; G443-T447 WeakPolarHBondContact CA-OG1 3.39Å; G443-T447 WeakPolarHBondContact O-CB 3.26Å
444	W	98.4	Very high	97.8	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-69.6	-45.9	177.3	-83.6	105.2	0	0	0	113.5	L362 A385 L386 H389 D440 N442 P451 P452 V453	L362-W444 WeakPolarHBondContact CB-O 3.49Å; A385-W444 HydrophobicContact CB-CH2 4.04Å; A385-W444 HydrophobicContact CB-CZ3 4.01Å; A385-W444 WeakPolarHBondContact O-CH2 3.35Å; L386-W444 VanDerWaalsContact CA-CZ3 3.41Å; L386-W444 HydrophobicContact CB-CD2 4.25Å; L386-W444 HydrophobicContact CB-CE3 3.61Å; L386-W444 HydrophobicContact CB-CH2 4.36Å; L386-W444 HydrophobicContact CB-CZ3 3.67Å; L386-W444 HydrophobicContact CD1-CB 4.24Å; L386-W444 HydrophobicContact CD1-CD2 3.7Å; L386-W444 HydrophobicContact CD1-CE3 3.98Å; L386-W444 HydrophobicContact CD1-CG 3.82Å; L386-W444 HydrophobicContact CG-CD2 4.5Å; L386-W444 HydrophobicContact CG-CE3 4.3Å; H389-W444 HydrophobicContact CB-CH2 4.19Å; H389-W444 HydrophobicContact CB-CZ2 3.84Å; H389-W444 AromaticContact CD2-CE2 3.96Å; H389-W444 AromaticContact CD2-CZ2 3.72Å; H389-W444 AromaticContact CD2-NE1 3.76Å; H389-W444 AromaticContact CG-CZ2 3.86Å; D440-W444 PolarHBondContact O-N 3.45Å; N442-W444 VanDerWaalsContact C-N 3.34Å; W444-P451 HydrophobicContact CE3-CB 4.03Å; W444-P451 HydrophobicContact CH2-CB 3.62Å; W444-P451 HydrophobicContact CH2-CG 4.24Å; W444-P451 HydrophobicContact CZ2-CB 4.21Å; W444-P451 HydrophobicContact CZ3-CB 3.52Å; W444-P451 HydrophobicContact CZ3-CG 3.88Å; W444-P452 HydrophobicContact CD2-CG 4.17Å; W444-P452 HydrophobicContact CG-CG 4.01Å; W444-V453 HydrophobicContact CZ2-CB 4.19Å
445	M	97.9	Very high	97.5	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-86.8	-43.7	-169.3	-66.8	177.6	167.8	0	0	113.3	L362 V363 T418 W421 K422 W441	L362-M445 PolarHBondContact N-O 3.17Å; V363-M445 HydrophobicContact CG2-CB 4.29Å; V363-M445 PolarHBondContact N-O 2.87Å; T418-M445 HydrophobicContact CG2-CE 3.25Å; T418-M445 HydrophobicContact CG2-CG 4.45Å; T418-M445 HydrophobicContact CG2-SD 3.62Å; W421-M445 HydrophobicContact CE3-CE 4.47Å; W421-M445 HydrophobicContact CZ3-CE 4.04Å; K422-M445 HydrophobicContact CD-CE 4.06Å; W441-M445 HydrophobicContact CE3-CE 3.67Å; W441-M445 HydrophobicContact CE3-SD 4.47Å; W441-M445 HydrophobicContact CZ3-CE 4.01Å; W441-M445 VanDerWaalsContact O-CB 3.24Å; W441-M445 WeakPolarHBondContact O-CB 3.48Å; W441-M445 VanDerWaalsContact O-CG 3.26Å; W441-M445 WeakPolarHBondContact O-CG 3.47Å; W441-M445 PolarHBondContact O-N 3.13Å
446	F	98.1	Very high	97.1	Very high	99 Å²	99	56.4 Å²	56.4	43%	0.434	29%	0.29	S	S	.	.	H	α-helix	trans	-123.7	4.5	-160.9	-53.3	-63.4	0	0	0	114.2	N361 V363 N442	N361-F446 PolarHBondContact ND2-O 3.47Å; V363-F446 HydrophobicContact CB-CD1 4.07Å; V363-F446 HydrophobicContact CB-CE1 3.7Å; V363-F446 HydrophobicContact CG1-CE1 3.85Å; V363-F446 HydrophobicContact CG2-CE1 4.3Å; N442-F446 PolarHBondContact O-N 3.13Å
447	T	98.2	Very high	96.9	Very high	70 Å²	70	58 Å²	58	43%	0.429	30%	0.296	S	S	.	.			trans	-104.2	130.5	177.9	-57.2	0	0	0	0	110.6	K382 N442 G443	K382-T447 PolarHBondContact NZ-O 2.81Å; K382-T447 VanDerWaalsContact NZ-O 3.08Å; N442-T447 PolarHBondContact O-N 2.72Å; N442-T447 PolarHBondContact O-OG1 2.83Å; G443-T447 WeakPolarHBondContact CA-OG1 3.39Å; G443-T447 WeakPolarHBondContact O-CB 3.26Å
448	P	98	Very high	96.7	Very high	41 Å²	41	56.1 Å²	56.1	27%	0.266	29%	0.286	S	S	.	.			trans	-73.1	165.1	-179.6	30.8	-36.4	0	0	0	111.3	A355 N357 T360 N361	A355-P448 CarbonylContact O-C 3.35Å; A355-P448 WeakPolarHBondContact O-CB 3.47Å; N357-P448 WeakPolarHBondContact O-CB 3.34Å; T360-P448 VanDerWaalsContact OG1-CA 3.3Å; T360-P448 WeakPolarHBondContact OG1-CA 3.3Å; T360-P448 WeakPolarHBondContact OG1-CB 3.34Å; N361-P448 WeakPolarHBondContact OD1-CA 3.29Å; N361-P448 WeakPolarHBondContact OD1-CB 3.41Å; N361-P448 WeakPolarHBondContact OD1-CD 3.41Å
449	G	97.7	Very high	96.6	Very high	4 Å²	4	50.8 Å²	50.8	4%	0.041	27%	0.269	C	S	.	.	S	Bend	trans	90.4	-158.2	178.2	0	0	0	0	0	113.4	A355 T360 K382	A355-G449 VanDerWaalsContact O-CA 3.29Å; A355-G449 WeakPolarHBondContact O-CA 3.36Å; A355-G449 PolarHBondContact O-N 2.99Å; A355-G449 VanDerWaalsContact O-N 3.08Å; T360-G449 PolarHBondContact OG1-N 2.91Å; K382-G449 WeakPolarHBondContact CE-O 3.49Å; K382-G449 PolarHBondContact NZ-O 3.22Å
450	M	98.1	Very high	96.5	Very high	48 Å²	48	54 Å²	54	24%	0.236	29%	0.289	C	S	.	.	S	Bend	trans	-69.7	154.6	178	-65.7	-58.5	-73.3	0	0	111.5	W343 L346 Q347 V350	W343-M450 HydrophobicContact CD2-CE 4.13Å; W343-M450 VanDerWaalsContact CE2-CE 3.47Å; W343-M450 HydrophobicContact CH2-CE 4Å; W343-M450 HydrophobicContact CZ2-CE 3.41Å; W343-M450 VanDerWaalsContact CZ2-CE 3.41Å; L346-M450 HydrophobicContact CB-CE 4.49Å; L346-M450 HydrophobicContact CD2-CE 4.07Å; L346-M450 HydrophobicContact CD2-SD 4.4Å; L346-M450 HydrophobicContact CG-CE 4.09Å; L346-M450 HydrophobicContact CG-SD 4Å; Q347-M450 HydrophobicContact CB-CE 4.13Å; Q347-M450 HydrophobicContact CB-SD 4.25Å; V350-M450 HydrophobicContact CB-SD 4.06Å; V350-M450 HydrophobicContact CG1-CG 4.4Å; V350-M450 HydrophobicContact CG1-SD 4.38Å; V350-M450 HydrophobicContact CG2-SD 3.84Å
451	P	97.7	Very high	96.3	Very high	13 Å²	13	52.6 Å²	52.6	8%	0.084	28%	0.281	C	S	.	.			trans	-54.6	153.9	174.6	-24.6	33	0	0	0	113.7	W343 L346 K382 A385 W444 V453	W343-P451 HydrophobicContact CH2-CB 4.27Å; W343-P451 HydrophobicContact CH2-CG 3.94Å; W343-P451 HydrophobicContact CZ3-CB 4.43Å; W343-P451 HydrophobicContact CZ3-CG 3.86Å; L346-P451 HydrophobicContact CD2-CG 3.99Å; K382-P451 HydrophobicContact CG-CG 4.18Å; A385-P451 HydrophobicContact CB-CG 4.45Å; W444-P451 HydrophobicContact CE3-CB 4.03Å; W444-P451 HydrophobicContact CH2-CB 3.62Å; W444-P451 HydrophobicContact CH2-CG 4.24Å; W444-P451 HydrophobicContact CZ2-CB 4.21Å; W444-P451 HydrophobicContact CZ3-CB 3.52Å; W444-P451 HydrophobicContact CZ3-CG 3.88Å; P451-V453 PolarHBondContact O-N 3.43Å
452	P	96.9	Very high	96.2	Very high	64 Å²	64	51.8 Å²	51.8	42%	0.416	28%	0.278	S	S	.	.	S	Bend	trans	-67.1	-20.4	178	28.5	-35.6	0	0	0	113	W444	W444-P452 HydrophobicContact CD2-CG 4.17Å; W444-P452 HydrophobicContact CG-CG 4.01Å
453	V	95.8	Very high	96.1	Very high	57 Å²	57	50.4 Å²	50.4	35%	0.345	27%	0.271	S	S	.	.	S	Bend	trans	-130.1	127.7	178.7	-177.4	0	0	0	0	109	W444 P451	W444-V453 HydrophobicContact CZ2-CB 4.19Å; P451-V453 PolarHBondContact O-N 3.43Å
454	K	94.6	Very high	96	Very high	119 Å²	119	52.2 Å²	52.2	52%	0.517	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-89.3	118.2	166.6	-179.6	175.2	-179.2	-174.7	0	108.7	W343	W343-K454 HydrophobicContact CD2-CD 4.48Å; W343-K454 HydrophobicContact CD2-CG 4.16Å; W343-K454 HydrophobicContact CE3-CG 4.39Å; W343-K454 HydrophobicContact CH2-CB 3.6Å; W343-K454 HydrophobicContact CH2-CD 4.5Å; W343-K454 HydrophobicContact CH2-CG 3.75Å; W343-K454 HydrophobicContact CZ2-CB 3.61Å; W343-K454 HydrophobicContact CZ2-CD 3.74Å; W343-K454 HydrophobicContact CZ2-CG 3.48Å; W343-K454 VanDerWaalsContact CZ2-CG 3.48Å; W343-K454 HydrophobicContact CZ3-CB 4.32Å; W343-K454 HydrophobicContact CZ3-CG 4.2Å
455	P	90.9	Very high	95.9	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.019	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-60.8	153	173.6	-20.2	31.8	0	0	0	112	Y388 Y457	Y388-P455 HydrophobicContact CD1-CB 3.4Å; Y388-P455 HydrophobicContact CD1-CG 3.81Å; Y388-P455 HydrophobicContact CE1-CB 3.5Å; Y388-P455 VanDerWaalsContact CE1-CB 3.5Å; Y388-P455 HydrophobicContact CE1-CG 4.4Å; P455-Y457 HydrophobicContact CB-CE1 3.86Å; P455-Y457 HydrophobicContact CB-CE2 4.47Å; P455-Y457 HydrophobicContact CG-CE1 4.42Å
456	Q	91.1	Very high	95.8	Very high	148 Å²	148	55.3 Å²	55.3	69%	0.692	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-87.5	129.3	173.9	-61.6	-60	-42.2	0	0	108.6	Y388	Y388-Q456 PolarHBondContact OH-O 2.96Å
457	Y	93.8	Very high	95.8	Very high	33 Å²	33	53.2 Å²	53.2	13%	0.129	30%	0.301	C	S	.	.			trans	-115.9	144.3	-177.8	-56.1	-63.4	0	0	0	110.7	A339 I340 W343 Y388 P455 T459	A339-Y457 HydrophobicContact CB-CD1 3.86Å; A339-Y457 HydrophobicContact CB-CE1 3.59Å; I340-Y457 VanDerWaalsContact CG1-CB 3.48Å; I340-Y457 HydrophobicContact CG1-CD2 3.82Å; I340-Y457 HydrophobicContact CG1-CG 3.77Å; W343-Y457 HydrophobicContact CB-CE2 4.18Å; W343-Y457 HydrophobicContact CG-CE2 4.39Å; Y388-Y457 HydrophobicContact CD1-CE1 4.03Å; Y388-Y457 HydrophobicContact CE1-CD1 4.13Å; Y388-Y457 AromaticContact CE1-CE1 3.82Å; Y388-Y457 HydrophobicContact CE1-CE1 3.82Å; P455-Y457 HydrophobicContact CB-CE1 3.86Å; P455-Y457 HydrophobicContact CB-CE2 4.47Å; P455-Y457 HydrophobicContact CG-CE1 4.42Å; Y457-T459 PolarHBondContact O-N 2.76Å
458	D	94.5	Very high	95.8	Very high	68 Å²	68	50.2 Å²	50.2	36%	0.364	28%	0.283	S	S	.	.			trans	-68.6	124	166.9	-178.1	-74.3	0	0	0	109.7	Q336 I340 T460	Q336-D458 HydrophobicContact CB-CB 3.96Å; Q336-D458 HydrophobicContact CG-CB 3.88Å; I340-D458 WeakPolarHBondContact CD1-O 3.36Å; D458-T460 WeakPolarHBondContact OD1-CB 3.16Å; D458-T460 PolarHBondContact OD1-N 3.36Å; D458-T460 PolarHBondContact OD1-OG1 3.43Å; D458-T460 PolarHBondContact OD2-OG1 2.82Å
459	T	94.8	Very high	95.7	Very high	65 Å²	65	48.3 Å²	48.3	40%	0.399	27%	0.271	S	S	.	.			trans	-97	5.9	-176.8	64.2	0	0	0	0	113.6	I340 Y457 L461 A462 D463	I340-T459 HydrophobicContact CD1-CG2 4.24Å; Y457-T459 PolarHBondContact O-N 2.76Å; T459-L461 VanDerWaalsContact C-N 3.29Å; T459-L461 PolarHBondContact O-N 2.95Å; T459-L461 VanDerWaalsContact O-N 3.1Å; T459-A462 CarbonylContact O-C 3.49Å; T459-A462 WeakPolarHBondContact O-CA 3.37Å; T459-A462 WeakPolarHBondContact O-CB 3.33Å; T459-A462 PolarHBondContact O-N 3.41Å; T459-D463 VanDerWaalsContact CB-OD1 3.29Å; T459-D463 WeakPolarHBondContact CB-OD1 3.35Å; T459-D463 VanDerWaalsContact O-CG 3.25Å; T459-D463 PolarHBondContact O-N 2.92Å; T459-D463 VanDerWaalsContact O-OD1 3.1Å; T459-D463 PolarHBondContact OG1-OD1 2.95Å
460	T	96.2	Very high	95.8	Very high	79 Å²	79	51.2 Å²	51.2	49%	0.485	28%	0.283	S	S	.	.	H	α-helix	trans	-52	-44.5	-169.7	-58.1	0	0	0	0	112.8	D458	D458-T460 WeakPolarHBondContact OD1-CB 3.16Å; D458-T460 PolarHBondContact OD1-N 3.36Å; D458-T460 PolarHBondContact OD1-OG1 3.43Å; D458-T460 PolarHBondContact OD2-OG1 2.82Å
461	L	95.5	Very high	95.8	Very high	55 Å²	55	53.8 Å²	53.8	29%	0.288	29%	0.29	S	S	.	.	H	α-helix	trans	-78.3	-22.7	177.5	-68.4	-177.9	0	0	0	113.6	Q333 F334 F337 T459 Q495	Q333-L461 HydrophobicContact CB-CD1 4.04Å; Q333-L461 HydrophobicContact CB-CG 4.02Å; F334-L461 HydrophobicContact CB-CD1 4.32Å; F337-L461 HydrophobicContact CB-CB 4.02Å; F337-L461 HydrophobicContact CB-CD1 4.05Å; F337-L461 HydrophobicContact CD2-CB 3.59Å; F337-L461 HydrophobicContact CE2-CB 4.27Å; F337-L461 HydrophobicContact CG-CB 3.95Å; F337-L461 HydrophobicContact CG-CD1 4.42Å; T459-L461 VanDerWaalsContact C-N 3.29Å; T459-L461 PolarHBondContact O-N 2.95Å; T459-L461 VanDerWaalsContact O-N 3.1Å; L461-Q495 PolarHBondContact O-NE2 3.19Å
462	A	95.1	Very high	95.8	Very high	2 Å²	2	53.1 Å²	53.1	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-83	-26	177.8	0	0	0	0	0	112.8	F337 I340 T459 A464 C465 I466	F337-A462 HydrophobicContact CD2-CB 4.07Å; F337-A462 HydrophobicContact CE2-CB 4.12Å; I340-A462 HydrophobicContact CD1-CB 4.36Å; T459-A462 CarbonylContact O-C 3.49Å; T459-A462 WeakPolarHBondContact O-CA 3.37Å; T459-A462 WeakPolarHBondContact O-CB 3.33Å; T459-A462 PolarHBondContact O-N 3.41Å; A462-A464 VanDerWaalsContact C-N 3.32Å; A462-A464 PolarHBondContact O-N 2.96Å; A462-C465 WeakPolarHBondContact O-CA 3.18Å; A462-C465 VanDerWaalsContact O-CB 3.27Å; A462-C465 WeakPolarHBondContact O-CB 3.47Å; A462-C465 PolarHBondContact O-N 2.78Å; A462-I466 HydrophobicContact CB-CD1 4.13Å; A462-I466 WeakPolarHBondContact O-CG1 3.5Å; A462-I466 PolarHBondContact O-N 3.09Å
463	D	96.2	Very high	95.8	Very high	80 Å²	80	52.6 Å²	52.6	43%	0.428	28%	0.279	S	S	.	.	H	α-helix	trans	-56.8	-43	-174.4	-71.5	-13.8	0	0	0	112.6	T459 C465 I466 A467	T459-D463 VanDerWaalsContact CB-OD1 3.29Å; T459-D463 WeakPolarHBondContact CB-OD1 3.35Å; T459-D463 VanDerWaalsContact O-CG 3.25Å; T459-D463 PolarHBondContact O-N 2.92Å; T459-D463 VanDerWaalsContact O-OD1 3.1Å; T459-D463 PolarHBondContact OG1-OD1 2.95Å; D463-C465 VanDerWaalsContact C-N 3.32Å; D463-C465 PolarHBondContact O-N 3.16Å; D463-I466 PolarHBondContact O-N 3.47Å; D463-A467 VanDerWaalsContact O-CB 3.27Å; D463-A467 WeakPolarHBondContact O-CB 3.2Å; D463-A467 PolarHBondContact O-N 3.27Å
464	A	96.1	Very high	95.8	Very high	46 Å²	46	57 Å²	57	38%	0.38	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-37.9	176.2	0	0	0	0	0	112.2	A462 L468 L491	A462-A464 VanDerWaalsContact C-N 3.32Å; A462-A464 PolarHBondContact O-N 2.96Å; A464-L468 WeakPolarHBondContact O-CB 3.44Å; A464-L468 PolarHBondContact O-N 3.35Å; A464-L491 HydrophobicContact CB-CD2 3.98Å
465	C	96.9	Very high	96	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.2	-48.9	177	-49	0	0	0	0	110.2	A462 D463 A467 L468 T469 Q495 E498 F499 L502	A462-C465 WeakPolarHBondContact O-CA 3.18Å; A462-C465 VanDerWaalsContact O-CB 3.27Å; A462-C465 WeakPolarHBondContact O-CB 3.47Å; A462-C465 PolarHBondContact O-N 2.78Å; D463-C465 VanDerWaalsContact C-N 3.32Å; D463-C465 PolarHBondContact O-N 3.16Å; C465-A467 PolarHBondContact O-N 2.91Å; C465-L468 PolarHBondContact O-N 3.29Å; C465-T469 WeakPolarHBondContact O-CB 3.37Å; C465-T469 PolarHBondContact O-N 3.03Å; C465-T469 PolarHBondContact O-OG1 3.46Å; C465-Q495 VanDerWaalsContact SG-CB 3.53Å; C465-Q495 PolarHBondContact SG-O 3.49Å; C465-Q495 VanDerWaalsContact SG-O 3.34Å; C465-E498 HydrophobicContact CB-CB 4.44Å; C465-E498 HydrophobicContact CB-CG 3.91Å; C465-F499 HydrophobicContact CB-CB 4.35Å; C465-L502 HydrophobicContact CB-CD1 3.97Å
466	I	95.8	Very high	96.2	Very high	68 Å²	68	58.7 Å²	58.7	35%	0.349	30%	0.303	S	S	.	.	H	α-helix	trans	-59.8	-46.9	178.2	-65.3	164.2	0	0	0	110.4	A462 D463 L468 T469 Q470 L502	A462-I466 HydrophobicContact CB-CD1 4.13Å; A462-I466 WeakPolarHBondContact O-CG1 3.5Å; A462-I466 PolarHBondContact O-N 3.09Å; D463-I466 PolarHBondContact O-N 3.47Å; I466-L468 PolarHBondContact O-N 3.38Å; I466-T469 WeakPolarHBondContact O-CB 3.38Å; I466-T469 PolarHBondContact O-N 3.34Å; I466-Q470 HydrophobicContact CG2-CG 4.38Å; I466-Q470 WeakPolarHBondContact O-CB 3.34Å; I466-Q470 VanDerWaalsContact O-CG 3.25Å; I466-Q470 WeakPolarHBondContact O-CG 3.41Å; I466-Q470 PolarHBondContact O-N 2.82Å; I466-L502 HydrophobicContact CG1-CD1 3.82Å
467	A	97.4	Very high	96.4	Very high	54 Å²	54	56.6 Å²	56.6	45%	0.446	30%	0.297	S	S	.	.	H	α-helix	trans	-61.1	-44.4	179.4	0	0	0	0	0	111.9	D463 C465 Q470 R471	D463-A467 VanDerWaalsContact O-CB 3.27Å; D463-A467 WeakPolarHBondContact O-CB 3.2Å; D463-A467 PolarHBondContact O-N 3.27Å; C465-A467 PolarHBondContact O-N 2.91Å; A467-Q470 PolarHBondContact O-N 2.9Å; A467-R471 WeakPolarHBondContact O-CG 3.28Å; A467-R471 PolarHBondContact O-N 3.38Å
468	L	97.9	Very high	96.5	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-67.5	-43.6	178.2	-175.2	58.4	0	0	0	111.8	A464 C465 I466 Q470 R471 W472 F483 D487 V488 L491 F499	A464-L468 WeakPolarHBondContact O-CB 3.44Å; A464-L468 PolarHBondContact O-N 3.35Å; C465-L468 PolarHBondContact O-N 3.29Å; I466-L468 PolarHBondContact O-N 3.38Å; L468-Q470 VanDerWaalsContact C-N 3.32Å; L468-Q470 PolarHBondContact O-N 3.2Å; L468-R471 WeakPolarHBondContact O-CB 3.37Å; L468-R471 PolarHBondContact O-N 3.39Å; L468-W472 VanDerWaalsContact O-CD1 3.3Å; L468-W472 PolarHBondContact O-N 3.09Å; L468-W472 VanDerWaalsContact O-N 3.11Å; L468-F483 HydrophobicContact CD1-CE1 4.49Å; L468-D487 HydrophobicContact CD1-CB 3.94Å; L468-D487 HydrophobicContact CD2-CB 4.43Å; L468-V488 HydrophobicContact CD2-CG1 3.84Å; L468-L491 HydrophobicContact CD2-CD1 3.93Å; L468-F499 HydrophobicContact CB-CD2 4.07Å; L468-F499 HydrophobicContact CB-CE2 4.15Å; L468-F499 HydrophobicContact CD2-CD2 3.96Å; L468-F499 HydrophobicContact CD2-CE1 4.4Å; L468-F499 HydrophobicContact CD2-CE2 3.89Å; L468-F499 HydrophobicContact CD2-CG 4.28Å; L468-F499 HydrophobicContact CD2-CZ 4.09Å; L468-F499 HydrophobicContact CG-CD2 3.91Å; L468-F499 HydrophobicContact CG-CE2 3.59Å; L468-F499 HydrophobicContact CG-CZ 4.11Å
469	T	97.8	Very high	96.6	Very high	2 Å²	2	62 Å²	62	1%	0.012	32%	0.323	C	S	.	.	H	α-helix	trans	-52.9	-50.4	172.1	-69.2	0	0	0	0	110.9	C465 I466 R471 W472 I473 F499 L502 L503	C465-T469 WeakPolarHBondContact O-CB 3.37Å; C465-T469 PolarHBondContact O-N 3.03Å; C465-T469 PolarHBondContact O-OG1 3.46Å; I466-T469 WeakPolarHBondContact O-CB 3.38Å; I466-T469 PolarHBondContact O-N 3.34Å; T469-R471 VanDerWaalsContact C-N 3.32Å; T469-R471 PolarHBondContact O-N 3.16Å; T469-W472 PolarHBondContact O-N 3.11Å; T469-W472 VanDerWaalsContact O-N 3.13Å; T469-I473 HydrophobicContact CG2-CD1 3.54Å; T469-I473 HydrophobicContact CG2-CG1 4.41Å; T469-I473 WeakPolarHBondContact O-CG1 3.35Å; T469-I473 PolarHBondContact O-N 3.22Å; T469-F499 VanDerWaalsContact OG1-CD2 3.32Å; T469-F499 WeakPolarHBondContact OG1-CD2 3.47Å; T469-F499 PolarHBondContact OG1-O 3.32Å; T469-L502 HydrophobicContact CG2-CB 3.8Å; T469-L502 WeakPolarHBondContact OG1-CB 3.32Å; T469-L503 HydrophobicContact CG2-CD2 3.93Å; T469-L503 HydrophobicContact CG2-CG 4.37Å
470	Q	97.9	Very high	96.7	Very high	64 Å²	64	59.5 Å²	59.5	30%	0.299	31%	0.307	S	S	.	.	H	α-helix	trans	-65.1	-33.7	-179.1	-72	-63.1	-45.9	0	0	112.9	I466 A467 L468 K474	I466-Q470 HydrophobicContact CG2-CG 4.38Å; I466-Q470 WeakPolarHBondContact O-CB 3.34Å; I466-Q470 VanDerWaalsContact O-CG 3.25Å; I466-Q470 WeakPolarHBondContact O-CG 3.41Å; I466-Q470 PolarHBondContact O-N 2.82Å; A467-Q470 PolarHBondContact O-N 2.9Å; L468-Q470 VanDerWaalsContact C-N 3.32Å; L468-Q470 PolarHBondContact O-N 3.2Å; Q470-K474 WeakPolarHBondContact O-CB 3.36Å; Q470-K474 VanDerWaalsContact O-CG 3.28Å; Q470-K474 WeakPolarHBondContact O-CG 3.31Å; Q470-K474 PolarHBondContact O-N 3.29Å; Q470-K474 VanDerWaalsContact O-N 3.14Å; Q470-K474 VanDerWaalsContact OE1-CE 3.28Å
471	R	98	Very high	96.7	Very high	102 Å²	102	61.8 Å²	61.8	39%	0.385	32%	0.316	S	S	.	.	H	α-helix	trans	-61.1	-45.4	171.7	-76.6	173.2	56.5	-159.7	-5.1	111.3	A467 L468 T469 A475 F483 D487	A467-R471 WeakPolarHBondContact O-CG 3.28Å; A467-R471 PolarHBondContact O-N 3.38Å; L468-R471 WeakPolarHBondContact O-CB 3.37Å; L468-R471 PolarHBondContact O-N 3.39Å; T469-R471 VanDerWaalsContact C-N 3.32Å; T469-R471 PolarHBondContact O-N 3.16Å; R471-A475 WeakPolarHBondContact O-CB 3.38Å; R471-A475 PolarHBondContact O-N 2.98Å; R471-A475 VanDerWaalsContact O-N 3.14Å; R471-F483 HydrophobicContact CB-CE1 3.87Å; R471-F483 HydrophobicContact CB-CZ 4.12Å; R471-D487 IonicContact CZ-OD1 3.31Å; R471-D487 VanDerWaalsContact CZ-OD1 3.31Å; R471-D487 IonicContact NH1-OD1 2.73Å; R471-D487 PolarHBondContact NH1-OD1 2.82Å; R471-D487 IonicContact NH2-OD1 2.96Å; R471-D487 PolarHBondContact NH2-OD1 3.33Å; R471-D487 IonicContact NH2-OD2 3.29Å; R471-D487 PolarHBondContact NH2-OD2 2.9Å
472	W	98.2	Very high	96.8	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-68.1	-40.6	179.9	-81.7	106.5	0	0	0	113.5	L468 T469 K474 L480 F483 F499 L503 H513 R516 M517 V520 Y521	L468-W472 VanDerWaalsContact O-CD1 3.3Å; L468-W472 PolarHBondContact O-N 3.09Å; L468-W472 VanDerWaalsContact O-N 3.11Å; T469-W472 PolarHBondContact O-N 3.11Å; T469-W472 VanDerWaalsContact O-N 3.13Å; W472-K474 VanDerWaalsContact C-N 3.35Å; W472-K474 PolarHBondContact O-N 3.3Å; W472-L480 HydrophobicContact CE3-CD2 4.38Å; W472-L480 HydrophobicContact CZ3-CD2 3.83Å; W472-F483 AromaticContact CD1-CE1 3.84Å; W472-F483 HydrophobicContact CD2-CD1 4.1Å; W472-F483 HydrophobicContact CD2-CD2 4.29Å; W472-F483 AromaticContact CD2-CE1 3.77Å; W472-F483 HydrophobicContact CD2-CE1 3.77Å; W472-F483 HydrophobicContact CD2-CE2 4.01Å; W472-F483 HydrophobicContact CD2-CG 4.34Å; W472-F483 AromaticContact CD2-CZ 3.73Å; W472-F483 HydrophobicContact CD2-CZ 3.73Å; W472-F483 AromaticContact CE2-CD1 3.49Å; W472-F483 VanDerWaalsContact CE2-CD1 3.49Å; W472-F483 AromaticContact CE2-CE1 3.61Å; W472-F483 AromaticContact CE2-CG 3.77Å; W472-F483 HydrophobicContact CE3-CD2 4.11Å; W472-F483 HydrophobicContact CE3-CE1 4.43Å; W472-F483 AromaticContact CE3-CE2 3.83Å; W472-F483 HydrophobicContact CE3-CE2 3.83Å; W472-F483 AromaticContact CE3-CZ 4Å; W472-F483 HydrophobicContact CE3-CZ 4Å; W472-F483 AromaticContact CG-CE1 3.94Å; W472-F483 HydrophobicContact CG-CE1 3.94Å; W472-F483 HydrophobicContact CG-CZ 4.01Å; W472-F483 HydrophobicContact CH2-CB 3.91Å; W472-F483 HydrophobicContact CH2-CD1 4.29Å; W472-F483 AromaticContact CH2-CD2 3.66Å; W472-F483 HydrophobicContact CH2-CD2 3.66Å; W472-F483 HydrophobicContact CH2-CE2 4.24Å; W472-F483 AromaticContact CH2-CG 3.69Å; W472-F483 HydrophobicContact CH2-CG 3.69Å; W472-F483 HydrophobicContact CZ2-CB 3.67Å; W472-F483 AromaticContact CZ2-CD1 3.6Å; W472-F483 HydrophobicContact CZ2-CD1 3.6Å; W472-F483 AromaticContact CZ2-CD2 3.84Å; W472-F483 HydrophobicContact CZ2-CD2 3.84Å; W472-F483 HydrophobicContact CZ2-CE1 4.15Å; W472-F483 HydrophobicContact CZ2-CE2 4.39Å; W472-F483 AromaticContact CZ2-CG 3.41Å; W472-F483 HydrophobicContact CZ2-CG 3.41Å; W472-F483 VanDerWaalsContact CZ2-CG 3.41Å; W472-F483 AromaticContact CZ3-CD2 3.81Å; W472-F483 HydrophobicContact CZ3-CD2 3.81Å; W472-F483 AromaticContact CZ3-CE2 3.97Å; W472-F483 HydrophobicContact CZ3-CE2 3.97Å; W472-F483 HydrophobicContact CZ3-CG 4.26Å; W472-F483 AromaticContact NE1-CD1 3.67Å; W472-F483 AromaticContact NE1-CE1 3.65Å; W472-F499 AromaticContact CD1-CE2 3.7Å; W472-F499 AromaticContact CD1-CZ 3.56Å; W472-F499 HydrophobicContact CG-CZ 4.43Å; W472-F499 AromaticContact NE1-CZ 3.77Å; W472-L503 HydrophobicContact CB-CD2 4.24Å; W472-H513 HydrophobicContact CE3-CB 4.35Å; W472-H513 HydrophobicContact CZ3-CB 4.33Å; W472-H513 WeakPolarHBondContact CZ3-O 3.38Å; W472-H513 PolarHBondContact O-CD2 2.87Å; W472-R516 HydrophobicContact CH2-CB 4.14Å; W472-R516 HydrophobicContact CH2-CG 3.9Å; W472-R516 HydrophobicContact CZ3-CB 4.27Å; W472-R516 HydrophobicContact CZ3-CG 4.33Å; W472-M517 HydrophobicContact CB-CE 3.77Å; W472-M517 HydrophobicContact CD2-CE 3.25Å; W472-M517 HydrophobicContact CD2-CG 3.98Å; W472-M517 HydrophobicContact CD2-SD 4.45Å; W472-M517 HydrophobicContact CE3-CE 3.44Å; W472-M517 VanDerWaalsContact CE3-CE 3.44Å; W472-M517 HydrophobicContact CE3-CG 3.91Å; W472-M517 HydrophobicContact CG-CE 3.41Å; W472-M517 VanDerWaalsContact CG-CE 3.41Å; W472-M517 HydrophobicContact CH2-CB 4.16Å; W472-M517 HydrophobicContact CH2-CG 3.34Å; W472-M517 HydrophobicContact CZ2-CB 4.35Å; W472-M517 HydrophobicContact CZ2-CE 4.45Å; W472-M517 HydrophobicContact CZ2-CG 3.42Å; W472-M517 VanDerWaalsContact CZ2-CG 3.42Å; W472-M517 HydrophobicContact CZ3-CE 4.1Å; W472-M517 HydrophobicContact CZ3-CG 3.59Å; W472-V520 HydrophobicContact CH2-CG2 4.45Å; W472-V520 HydrophobicContact CZ2-CG2 4.25Å; W472-Y521 AromaticContact CE2-CE2 3.69Å; W472-Y521 HydrophobicContact CZ2-CD2 4.37Å; W472-Y521 AromaticContact CZ2-CE2 3.38Å; W472-Y521 HydrophobicContact CZ2-CE2 3.38Å; W472-Y521 AromaticContact CZ2-CZ 3.67Å; W472-Y521 WeakPolarHBondContact CZ2-OH 3.42Å; W472-Y521 AromaticContact NE1-CE2 3.52Å; W472-Y521 AromaticContact NE1-CZ 3.76Å; W472-Y521 PolarHBondContact NE1-OH 3.17Å; W472-Y521 VanDerWaalsContact NE1-OH 3.11Å
473	I	96.9	Very high	96.9	Very high	53 Å²	53	63.8 Å²	63.8	27%	0.272	33%	0.33	S	S	.	.	H	α-helix	trans	-66.6	-37.9	179.2	-64.8	160.7	0	0	0	111.7	T469 L503 E506 L509	T469-I473 HydrophobicContact CG2-CD1 3.54Å; T469-I473 HydrophobicContact CG2-CG1 4.41Å; T469-I473 WeakPolarHBondContact O-CG1 3.35Å; T469-I473 PolarHBondContact O-N 3.22Å; I473-L503 HydrophobicContact CG1-CD2 4.2Å; I473-E506 HydrophobicContact CD1-CB 4.39Å; I473-E506 HydrophobicContact CD1-CG 3.52Å; I473-E506 HydrophobicContact CG1-CG 4.26Å; I473-L509 HydrophobicContact CG1-CD2 4.34Å
474	K	96.8	Very high	97	Very high	150 Å²	150	62.3 Å²	62.3	65%	0.652	33%	0.326	S	S	*	.	H	α-helix	trans	-84.1	-15.5	-176.9	-67.5	175.4	-175.4	173.9	0	113.5	Q470 W472	Q470-K474 WeakPolarHBondContact O-CB 3.36Å; Q470-K474 VanDerWaalsContact O-CG 3.28Å; Q470-K474 WeakPolarHBondContact O-CG 3.31Å; Q470-K474 PolarHBondContact O-N 3.29Å; Q470-K474 VanDerWaalsContact O-N 3.14Å; Q470-K474 VanDerWaalsContact OE1-CE 3.28Å; W472-K474 VanDerWaalsContact C-N 3.35Å; W472-K474 PolarHBondContact O-N 3.3Å
475	A	97.4	Very high	97	Very high	14 Å²	14	66.6 Å²	66.6	12%	0.116	34%	0.338	C	S	.	.			trans	-63.2	144.8	-179.6	0	0	0	0	0	110.8	R471 D479 L480 F483 H513	R471-A475 WeakPolarHBondContact O-CB 3.38Å; R471-A475 PolarHBondContact O-N 2.98Å; R471-A475 VanDerWaalsContact O-N 3.14Å; A475-D479 HydrophobicContact CB-CB 4.2Å; A475-L480 HydrophobicContact CB-CD2 4.43Å; A475-F483 HydrophobicContact CB-CE2 3.82Å; A475-F483 HydrophobicContact CB-CZ 4.07Å; A475-H513 PolarHBondContact O-NE2 2.81Å
476	K	96.5	Very high	96.9	Very high	142 Å²	142	70.1 Å²	70.1	62%	0.617	36%	0.363	S	S	*	.			trans	-105.7	170	163.4	-60.7	-179.9	-177.4	179.8	0	108.7	Q478 D479 L480	K476-Q478 HydrophobicContact CB-CG 4.27Å; K476-Q478 PolarHBondContact O-N 3.09Å; K476-D479 PolarHBondContact N-OD2 3.17Å; K476-D479 WeakPolarHBondContact O-CA 3.4Å; K476-D479 WeakPolarHBondContact O-CB 3.43Å; K476-D479 PolarHBondContact O-N 3.41Å; K476-L480 PolarHBondContact O-N 2.98Å
477	D	95.4	Very high	97	Very high	104 Å²	104	68.3 Å²	68.3	56%	0.556	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-52.5	-35.8	-178.5	-73.6	-7.7	0	0	0	113.7	D479 L480 S512 H513	D477-D479 VanDerWaalsContact C-N 3.3Å; D477-D479 PolarHBondContact O-N 3.49Å; D477-L480 WeakPolarHBondContact O-CB 3.42Å; D477-L480 WeakPolarHBondContact O-CG 3.29Å; D477-L480 PolarHBondContact O-N 2.78Å; D477-S512 WeakPolarHBondContact OD1-CB 3.43Å; D477-S512 PolarHBondContact OD1-OG 3.36Å; D477-H513 IonicContact OD1-CE1 3.63Å; D477-H513 IonicContact OD1-ND1 3.84Å
478	Q	95.3	Very high	96.9	Very high	155 Å²	155	66.7 Å²	66.7	72%	0.724	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-68.6	-24.6	176.8	66	-172.2	41.2	0	0	114.3	K476	K476-Q478 HydrophobicContact CB-CG 4.27Å; K476-Q478 PolarHBondContact O-N 3.09Å
479	D	96.4	Very high	96.7	Very high	59 Å²	59	74.6 Å²	74.6	32%	0.316	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-86.8	-12.1	-177.3	-52.2	-47.6	0	0	0	111.4	A475 K476 D477 N481 V482	A475-D479 HydrophobicContact CB-CB 4.2Å; K476-D479 PolarHBondContact N-OD2 3.17Å; K476-D479 WeakPolarHBondContact O-CA 3.4Å; K476-D479 WeakPolarHBondContact O-CB 3.43Å; K476-D479 PolarHBondContact O-N 3.41Å; D477-D479 VanDerWaalsContact C-N 3.3Å; D477-D479 PolarHBondContact O-N 3.49Å; D479-N481 PolarHBondContact O-N 2.91Å; D479-N481 VanDerWaalsContact O-N 3.08Å; D479-V482 WeakPolarHBondContact O-CG1 3.41Å; D479-V482 WeakPolarHBondContact O-CG2 3.32Å; D479-V482 PolarHBondContact O-N 2.62Å
480	L	97.1	Very high	96.5	Very high	13 Å²	13	80.4 Å²	80.4	7%	0.068	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-60.5	-24.6	-173.2	-69.6	-176	0	0	0	114.6	W472 A475 K476 D477 V482 F483 H513 R516	W472-L480 HydrophobicContact CE3-CD2 4.38Å; W472-L480 HydrophobicContact CZ3-CD2 3.83Å; A475-L480 HydrophobicContact CB-CD2 4.43Å; K476-L480 PolarHBondContact O-N 2.98Å; D477-L480 WeakPolarHBondContact O-CB 3.42Å; D477-L480 WeakPolarHBondContact O-CG 3.29Å; D477-L480 PolarHBondContact O-N 2.78Å; L480-V482 PolarHBondContact O-N 3.16Å; L480-F483 HydrophobicContact CD2-CD2 4.38Å; L480-F483 HydrophobicContact CD2-CE2 4.25Å; L480-F483 PolarHBondContact O-N 3.34Å; L480-H513 HydrophobicContact CD2-CB 4.47Å; L480-R516 HydrophobicContact CB-CB 4.43Å; L480-R516 HydrophobicContact CB-CG 4.02Å; L480-R516 HydrophobicContact CD1-CB 4.25Å; L480-R516 HydrophobicContact CD2-CB 4.39Å; L480-R516 HydrophobicContact CD2-CG 4.47Å; L480-R516 PolarHBondContact O-NE 2.93Å
481	N	96	Very high	96.4	Very high	128 Å²	128	78.6 Å²	78.6	68%	0.684	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-70.8	-15.9	178.4	-69.3	-33.1	0	0	0	113.5	D479 F483	D479-N481 PolarHBondContact O-N 2.91Å; D479-N481 VanDerWaalsContact O-N 3.08Å; N481-F483 VanDerWaalsContact C-N 3.27Å; N481-F483 PolarHBondContact O-N 3.32Å
482	V	96.6	Very high	96.3	Very high	96 Å²	96	76.2 Å²	76.2	58%	0.582	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-76.5	-16.8	178.6	-49.6	0	0	0	0	112.7	D479 L480	D479-V482 WeakPolarHBondContact O-CG1 3.41Å; D479-V482 WeakPolarHBondContact O-CG2 3.32Å; D479-V482 PolarHBondContact O-N 2.62Å; L480-V482 PolarHBondContact O-N 3.16Å
483	F	98.2	Very high	96.1	Very high	2 Å²	2	77.7 Å²	77.7	1%	0.009	41%	0.41	C	S	.	.			trans	-81.9	140.8	177.2	-60.9	-76.5	0	0	0	111.2	L468 R471 W472 A475 L480 N481 D487 R516 V520	L468-F483 HydrophobicContact CD1-CE1 4.49Å; R471-F483 HydrophobicContact CB-CE1 3.87Å; R471-F483 HydrophobicContact CB-CZ 4.12Å; W472-F483 AromaticContact CD1-CE1 3.84Å; W472-F483 HydrophobicContact CD2-CD1 4.1Å; W472-F483 HydrophobicContact CD2-CD2 4.29Å; W472-F483 AromaticContact CD2-CE1 3.77Å; W472-F483 HydrophobicContact CD2-CE1 3.77Å; W472-F483 HydrophobicContact CD2-CE2 4.01Å; W472-F483 HydrophobicContact CD2-CG 4.34Å; W472-F483 AromaticContact CD2-CZ 3.73Å; W472-F483 HydrophobicContact CD2-CZ 3.73Å; W472-F483 AromaticContact CE2-CD1 3.49Å; W472-F483 VanDerWaalsContact CE2-CD1 3.49Å; W472-F483 AromaticContact CE2-CE1 3.61Å; W472-F483 AromaticContact CE2-CG 3.77Å; W472-F483 HydrophobicContact CE3-CD2 4.11Å; W472-F483 HydrophobicContact CE3-CE1 4.43Å; W472-F483 AromaticContact CE3-CE2 3.83Å; W472-F483 HydrophobicContact CE3-CE2 3.83Å; W472-F483 AromaticContact CE3-CZ 4Å; W472-F483 HydrophobicContact CE3-CZ 4Å; W472-F483 AromaticContact CG-CE1 3.94Å; W472-F483 HydrophobicContact CG-CE1 3.94Å; W472-F483 HydrophobicContact CG-CZ 4.01Å; W472-F483 HydrophobicContact CH2-CB 3.91Å; W472-F483 HydrophobicContact CH2-CD1 4.29Å; W472-F483 AromaticContact CH2-CD2 3.66Å; W472-F483 HydrophobicContact CH2-CD2 3.66Å; W472-F483 HydrophobicContact CH2-CE2 4.24Å; W472-F483 AromaticContact CH2-CG 3.69Å; W472-F483 HydrophobicContact CH2-CG 3.69Å; W472-F483 HydrophobicContact CZ2-CB 3.67Å; W472-F483 AromaticContact CZ2-CD1 3.6Å; W472-F483 HydrophobicContact CZ2-CD1 3.6Å; W472-F483 AromaticContact CZ2-CD2 3.84Å; W472-F483 HydrophobicContact CZ2-CD2 3.84Å; W472-F483 HydrophobicContact CZ2-CE1 4.15Å; W472-F483 HydrophobicContact CZ2-CE2 4.39Å; W472-F483 AromaticContact CZ2-CG 3.41Å; W472-F483 HydrophobicContact CZ2-CG 3.41Å; W472-F483 VanDerWaalsContact CZ2-CG 3.41Å; W472-F483 AromaticContact CZ3-CD2 3.81Å; W472-F483 HydrophobicContact CZ3-CD2 3.81Å; W472-F483 AromaticContact CZ3-CE2 3.97Å; W472-F483 HydrophobicContact CZ3-CE2 3.97Å; W472-F483 HydrophobicContact CZ3-CG 4.26Å; W472-F483 AromaticContact NE1-CD1 3.67Å; W472-F483 AromaticContact NE1-CE1 3.65Å; A475-F483 HydrophobicContact CB-CE2 3.82Å; A475-F483 HydrophobicContact CB-CZ 4.07Å; L480-F483 HydrophobicContact CD2-CD2 4.38Å; L480-F483 HydrophobicContact CD2-CE2 4.25Å; L480-F483 PolarHBondContact O-N 3.34Å; N481-F483 VanDerWaalsContact C-N 3.27Å; N481-F483 PolarHBondContact O-N 3.32Å; F483-D487 VanDerWaalsContact CA-OD2 3.31Å; F483-D487 WeakPolarHBondContact CA-OD2 3.38Å; F483-R516 PolarHBondContact O-NH2 2.96Å; F483-R516 VanDerWaalsContact O-NH2 3.16Å; F483-V520 HydrophobicContact CB-CG2 4.24Å
484	S	97.7	Very high	96	Very high	50 Å²	50	77.2 Å²	77.2	35%	0.35	41%	0.406	S	S	.	.			trans	-155	165.9	178.7	72.1	0	0	0	0	111.1	S486 D487 Y521	S484-S486 PolarHBondContact O-N 3.39Å; S484-S486 PolarHBondContact OG-OG 3.34Å; S484-D487 PolarHBondContact N-OD2 2.77Å; S484-D487 WeakPolarHBondContact O-CB 3.46Å; S484-D487 PolarHBondContact O-N 3.48Å; S484-Y521 WeakPolarHBondContact O-CE1 3.39Å
485	Q	96	Very high	96	Very high	135 Å²	135	71.2 Å²	71.2	63%	0.631	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-26.6	-178.7	-164.4	-177.3	23.1	0	0	114.3	D487 V488 K489 V520	Q485-D487 PolarHBondContact O-N 2.85Å; Q485-V488 PolarHBondContact O-N 2.93Å; Q485-K489 PolarHBondContact O-N 3.09Å; Q485-V520 VanDerWaalsContact CA-O 3.3Å; Q485-V520 WeakPolarHBondContact CA-O 3.41Å; Q485-V520 WeakPolarHBondContact CB-O 3.33Å; Q485-V520 PolarHBondContact N-O 3.47Å
486	S	96.2	Very high	96	Very high	75 Å²	75	71.9 Å²	71.9	52%	0.524	38%	0.382	S	S	.	.	H	α-helix	trans	-62.1	-24.5	178	61.4	0	0	0	0	113.8	S484 V488	S484-S486 PolarHBondContact O-N 3.39Å; S484-S486 PolarHBondContact OG-OG 3.34Å; S486-V488 VanDerWaalsContact C-N 3.26Å; S486-V488 PolarHBondContact O-N 3.01Å
487	D	96.9	Very high	96	Very high	29 Å²	29	66 Å²	66	16%	0.155	36%	0.358	C	S	.	.	H	α-helix	trans	-64.5	-30.1	-178.8	-66.3	-48	0	0	0	112.8	L468 R471 F483 S484 Q485 Y521	L468-D487 HydrophobicContact CD1-CB 3.94Å; L468-D487 HydrophobicContact CD2-CB 4.43Å; R471-D487 IonicContact CZ-OD1 3.31Å; R471-D487 VanDerWaalsContact CZ-OD1 3.31Å; R471-D487 IonicContact NH1-OD1 2.73Å; R471-D487 PolarHBondContact NH1-OD1 2.82Å; R471-D487 IonicContact NH2-OD1 2.96Å; R471-D487 PolarHBondContact NH2-OD1 3.33Å; R471-D487 IonicContact NH2-OD2 3.29Å; R471-D487 PolarHBondContact NH2-OD2 2.9Å; F483-D487 VanDerWaalsContact CA-OD2 3.31Å; F483-D487 WeakPolarHBondContact CA-OD2 3.38Å; S484-D487 PolarHBondContact N-OD2 2.77Å; S484-D487 WeakPolarHBondContact O-CB 3.46Å; S484-D487 PolarHBondContact O-N 3.48Å; Q485-D487 PolarHBondContact O-N 2.85Å; D487-Y521 HydrophobicContact CB-CE1 3.87Å; D487-Y521 WeakPolarHBondContact CB-OH 3.45Å; D487-Y521 PolarHBondContact OD2-OH 2.9Å
488	V	96	Very high	95.9	Very high	20 Å²	20	61.5 Å²	61.5	12%	0.121	33%	0.333	C	S	.	.	H	α-helix	trans	-110.2	-10.4	-179.4	-60.2	0	0	0	0	113.2	L468 Q485 S486 T490 L491 L496 Y521	L468-V488 HydrophobicContact CD2-CG1 3.84Å; Q485-V488 PolarHBondContact O-N 2.93Å; S486-V488 VanDerWaalsContact C-N 3.26Å; S486-V488 PolarHBondContact O-N 3.01Å; V488-T490 PolarHBondContact O-N 3.39Å; V488-T490 VanDerWaalsContact O-N 3.15Å; V488-L491 HydrophobicContact CB-CD1 4.4Å; V488-L491 HydrophobicContact CG1-CD1 4.25Å; V488-L491 WeakPolarHBondContact O-CB 3.39Å; V488-L491 PolarHBondContact O-N 3.12Å; V488-L496 HydrophobicContact CB-CD1 4.29Å; V488-L496 HydrophobicContact CG1-CD1 4.02Å; V488-Y521 HydrophobicContact CB-CD1 4.24Å; V488-Y521 HydrophobicContact CB-CE1 4.4Å; V488-Y521 HydrophobicContact CG1-CD1 3.76Å; V488-Y521 HydrophobicContact CG1-CD2 4.17Å; V488-Y521 HydrophobicContact CG1-CE1 3.68Å; V488-Y521 HydrophobicContact CG1-CE2 4.09Å; V488-Y521 HydrophobicContact CG1-CG 4.03Å; V488-Y521 HydrophobicContact CG2-CD1 3.45Å; V488-Y521 VanDerWaalsContact CG2-CD1 3.45Å; V488-Y521 HydrophobicContact CG2-CE1 3.98Å; V488-Y521 HydrophobicContact CG2-CG 4.02Å
489	K	92.9	Very high	96	Very high	174 Å²	174	54.1 Å²	54.1	76%	0.757	30%	0.299	S	S	*	.	H	α-helix	trans	-59.5	-30.2	-174.2	-173.5	175.3	-179.9	179.6	0	113.7	Q485	Q485-K489 PolarHBondContact O-N 3.09Å
490	T	93.3	Very high	96	Very high	123 Å²	123	51.3 Å²	51.3	76%	0.755	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-4.7	178.9	58	0	0	0	0	113.3	V488	V488-T490 PolarHBondContact O-N 3.39Å; V488-T490 VanDerWaalsContact O-N 3.15Å
491	L	96.1	Very high	95.8	Very high	26 Å²	26	51.7 Å²	51.7	14%	0.136	29%	0.287	C	S	.	.			trans	-80.8	132.6	178	-59.7	-175.3	0	0	0	109.3	A464 L468 V488 Q495	A464-L491 HydrophobicContact CB-CD2 3.98Å; L468-L491 HydrophobicContact CD2-CD1 3.93Å; V488-L491 HydrophobicContact CB-CD1 4.4Å; V488-L491 HydrophobicContact CG1-CD1 4.25Å; V488-L491 WeakPolarHBondContact O-CB 3.39Å; V488-L491 PolarHBondContact O-N 3.12Å; L491-Q495 HydrophobicContact CB-CB 3.93Å; L491-Q495 HydrophobicContact CD2-CB 4.15Å; L491-Q495 HydrophobicContact CG-CB 4.48Å
492	S	95.9	Very high	95.7	Very high	52 Å²	52	46.6 Å²	46.6	36%	0.364	26%	0.26	S	S	.	.			trans	-66.4	163.5	168.2	69.7	0	0	0	0	111	H494 Q495 L496	S492-H494 PolarHBondContact O-N 3.19Å; S492-H494 VanDerWaalsContact O-N 3.17Å; S492-H494 PolarHBondContact OG-N 3.46Å; S492-Q495 VanDerWaalsContact N-OE1 3.07Å; S492-Q495 PolarHBondContact O-N 2.97Å; S492-Q495 PolarHBondContact OG-N 3.12Å; S492-L496 PolarHBondContact O-N 3.21Å
493	S	95.2	Very high	95.7	Very high	31 Å²	31	42.2 Å²	42.2	22%	0.217	23%	0.233	C	C	.	.	H	α-helix	trans	-53.5	-36.8	172.8	-56	0	0	0	0	111.4	D283 L496 I497	D283-S493 PolarHBondContact OD2-OG 2.92Å; S493-L496 PolarHBondContact O-N 3.15Å; S493-I497 WeakPolarHBondContact O-CB 3.45Å; S493-I497 WeakPolarHBondContact O-CD1 3.34Å; S493-I497 WeakPolarHBondContact O-CG1 3.42Å; S493-I497 PolarHBondContact O-N 3.47Å
494	H	94.6	Very high	95.4	Very high	43 Å²	43	43 Å²	43	20%	0.199	24%	0.237	C	C	.	.	H	α-helix	trans	-65.5	-42.3	175.3	-62.4	-66.5	0	0	0	113.4	S285 F334 F337 S492 I497 E498	S285-H494 PolarHBondContact O-CE1 2.98Å; S285-H494 PolarHBondContact O-NE2 3.39Å; F334-H494 HydrophobicContact CE2-CB 4.47Å; F334-H494 AromaticContact CE2-CD2 3.55Å; F334-H494 AromaticContact CE2-CG 3.92Å; F334-H494 AromaticContact CE2-NE2 3.83Å; F334-H494 AromaticContact CZ-CD2 3.99Å; F334-H494 AromaticContact CZ-NE2 3.76Å; F337-H494 HydrophobicContact CE1-CB 3.87Å; S492-H494 PolarHBondContact O-N 3.19Å; S492-H494 VanDerWaalsContact O-N 3.17Å; S492-H494 PolarHBondContact OG-N 3.46Å; H494-I497 PolarHBondContact O-N 2.93Å; H494-E498 PolarHBondContact O-N 2.74Å
495	Q	96.8	Very high	95.1	Very high	25 Å²	25	45 Å²	45	12%	0.117	24%	0.241	C	C	.	.	H	α-helix	trans	-68.8	-35.9	175.7	-74	176.7	-54.1	0	0	111.9	F337 L461 C465 L491 S492 E498 F499	F337-Q495 HydrophobicContact CE2-CG 4.4Å; F337-Q495 HydrophobicContact CZ-CG 4.18Å; L461-Q495 PolarHBondContact O-NE2 3.19Å; C465-Q495 VanDerWaalsContact SG-CB 3.53Å; C465-Q495 PolarHBondContact SG-O 3.49Å; C465-Q495 VanDerWaalsContact SG-O 3.34Å; L491-Q495 HydrophobicContact CB-CB 3.93Å; L491-Q495 HydrophobicContact CD2-CB 4.15Å; L491-Q495 HydrophobicContact CG-CB 4.48Å; S492-Q495 VanDerWaalsContact N-OE1 3.07Å; S492-Q495 PolarHBondContact O-N 2.97Å; S492-Q495 PolarHBondContact OG-N 3.12Å; Q495-E498 PolarHBondContact O-N 2.97Å; Q495-F499 WeakPolarHBondContact O-CB 3.45Å; Q495-F499 PolarHBondContact O-N 3.11Å
496	L	96.9	Very high	94.9	Very high	27 Å²	27	42.2 Å²	42.2	14%	0.141	23%	0.228	C	C	.	.	H	α-helix	trans	-67.5	-39.6	175.4	-170	61.8	0	0	0	111.7	V488 S492 S493 E498 F499 L500 L523 I531	V488-L496 HydrophobicContact CB-CD1 4.29Å; V488-L496 HydrophobicContact CG1-CD1 4.02Å; S492-L496 PolarHBondContact O-N 3.21Å; S493-L496 PolarHBondContact O-N 3.15Å; L496-E498 VanDerWaalsContact C-N 3.33Å; L496-F499 HydrophobicContact CD1-CD1 3.95Å; L496-F499 PolarHBondContact O-N 2.97Å; L496-L500 WeakPolarHBondContact O-CG 3.44Å; L496-L500 PolarHBondContact O-N 3.31Å; L496-L500 VanDerWaalsContact O-N 3.09Å; L496-L523 HydrophobicContact CD1-CD2 4.35Å; L496-L523 HydrophobicContact CD2-CD2 4.02Å; L496-L523 HydrophobicContact CG-CD2 4.5Å; L496-I531 HydrophobicContact CB-CD1 4.34Å; L496-I531 HydrophobicContact CD2-CD1 3.82Å; L496-I531 HydrophobicContact CD2-CG1 4.4Å; L496-I531 HydrophobicContact CD2-CG2 4.21Å; L496-I531 HydrophobicContact CG-CD1 4.31Å; L496-I531 HydrophobicContact CG-CG1 4.48Å
497	I	95.6	Very high	94.8	Very high	20 Å²	20	46.2 Å²	46.2	10%	0.103	24%	0.239	C	C	.	.	H	α-helix	trans	-57.6	-47.9	170.7	-72.3	163.5	0	0	0	110.3	L286 S493 H494 L500 S501 E530 I531 R534	L286-I497 HydrophobicContact CD2-CD1 4.41Å; S493-I497 WeakPolarHBondContact O-CB 3.45Å; S493-I497 WeakPolarHBondContact O-CD1 3.34Å; S493-I497 WeakPolarHBondContact O-CG1 3.42Å; S493-I497 PolarHBondContact O-N 3.47Å; H494-I497 PolarHBondContact O-N 2.93Å; I497-L500 PolarHBondContact O-N 3.29Å; I497-S501 PolarHBondContact O-N 2.95Å; I497-S501 PolarHBondContact O-OG 3.4Å; I497-E530 HydrophobicContact CD1-CB 3.6Å; I497-E530 HydrophobicContact CD1-CG 4.42Å; I497-E530 HydrophobicContact CG1-CB 3.92Å; I497-I531 HydrophobicContact CD1-CG1 4.34Å; I497-I531 HydrophobicContact CG1-CD1 4.44Å; I497-I531 HydrophobicContact CG1-CG1 3.56Å; I497-R534 WeakPolarHBondContact O-CD 3.06Å
498	E	95.1	Very high	94.7	Very high	9 Å²	9	47.9 Å²	47.9	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-42.4	-179.4	174.2	68.3	164.8	0	0	113	F337 K344 C465 H494 Q495 L496 L500 S501 L502	F337-E498 HydrophobicContact CE1-CB 4.38Å; F337-E498 HydrophobicContact CE2-CB 4.03Å; F337-E498 HydrophobicContact CE2-CG 3.82Å; F337-E498 HydrophobicContact CZ-CB 3.44Å; F337-E498 VanDerWaalsContact CZ-CB 3.44Å; F337-E498 HydrophobicContact CZ-CG 3.76Å; K344-E498 IonicContact NZ-OE1 2.55Å; K344-E498 PolarHBondContact NZ-OE1 3.16Å; K344-E498 IonicContact NZ-OE2 3.3Å; K344-E498 PolarHBondContact NZ-OE2 3.05Å; C465-E498 HydrophobicContact CB-CB 4.44Å; C465-E498 HydrophobicContact CB-CG 3.91Å; H494-E498 PolarHBondContact O-N 2.74Å; Q495-E498 PolarHBondContact O-N 2.97Å; L496-E498 VanDerWaalsContact C-N 3.33Å; E498-L500 VanDerWaalsContact C-N 3.31Å; E498-L500 PolarHBondContact O-N 3.37Å; E498-S501 WeakPolarHBondContact O-CB 3.39Å; E498-S501 PolarHBondContact O-N 3.46Å; E498-S501 VanDerWaalsContact O-N 3.17Å; E498-L502 HydrophobicContact CG-CD1 4.17Å; E498-L502 WeakPolarHBondContact O-CB 3.42Å; E498-L502 WeakPolarHBondContact O-CG 3.46Å; E498-L502 PolarHBondContact O-N 3.47Å
499	F	96.9	Very high	94.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-54.1	-48	172.7	162.3	-110.8	0	0	0	111.2	C465 L468 T469 W472 Q495 L496 L502 L503 M517	C465-F499 HydrophobicContact CB-CB 4.35Å; L468-F499 HydrophobicContact CB-CD2 4.07Å; L468-F499 HydrophobicContact CB-CE2 4.15Å; L468-F499 HydrophobicContact CD2-CD2 3.96Å; L468-F499 HydrophobicContact CD2-CE1 4.4Å; L468-F499 HydrophobicContact CD2-CE2 3.89Å; L468-F499 HydrophobicContact CD2-CG 4.28Å; L468-F499 HydrophobicContact CD2-CZ 4.09Å; L468-F499 HydrophobicContact CG-CD2 3.91Å; L468-F499 HydrophobicContact CG-CE2 3.59Å; L468-F499 HydrophobicContact CG-CZ 4.11Å; T469-F499 VanDerWaalsContact OG1-CD2 3.32Å; T469-F499 WeakPolarHBondContact OG1-CD2 3.47Å; T469-F499 PolarHBondContact OG1-O 3.32Å; W472-F499 AromaticContact CD1-CE2 3.7Å; W472-F499 AromaticContact CD1-CZ 3.56Å; W472-F499 HydrophobicContact CG-CZ 4.43Å; W472-F499 AromaticContact NE1-CZ 3.77Å; Q495-F499 WeakPolarHBondContact O-CB 3.45Å; Q495-F499 PolarHBondContact O-N 3.11Å; L496-F499 HydrophobicContact CD1-CD1 3.95Å; L496-F499 PolarHBondContact O-N 2.97Å; F499-L502 PolarHBondContact O-N 2.84Å; F499-L503 HydrophobicContact CD2-CD1 4.32Å; F499-L503 HydrophobicContact CE1-CD1 3.89Å; F499-L503 HydrophobicContact CE2-CD1 3.61Å; F499-L503 HydrophobicContact CE2-CG 4.06Å; F499-L503 HydrophobicContact CZ-CD1 3.39Å; F499-L503 HydrophobicContact CZ-CG 4.33Å; F499-L503 WeakPolarHBondContact O-CG 3.48Å; F499-L503 PolarHBondContact O-N 3.3Å; F499-L503 VanDerWaalsContact O-N 3.1Å; F499-M517 HydrophobicContact CZ-CE 4.44Å
500	L	96.5	Very high	94.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.6	-35.9	177	-66.6	172.3	0	0	0	112.6	L496 I497 E498 L502 L503 L504 L523 I531 R534 W535 L538	L496-L500 WeakPolarHBondContact O-CG 3.44Å; L496-L500 PolarHBondContact O-N 3.31Å; L496-L500 VanDerWaalsContact O-N 3.09Å; I497-L500 PolarHBondContact O-N 3.29Å; E498-L500 VanDerWaalsContact C-N 3.31Å; E498-L500 PolarHBondContact O-N 3.37Å; L500-L502 VanDerWaalsContact C-N 3.35Å; L500-L503 PolarHBondContact O-N 3.32Å; L500-L504 WeakPolarHBondContact O-CG 3.43Å; L500-L504 PolarHBondContact O-N 2.84Å; L500-L504 VanDerWaalsContact O-N 3.09Å; L500-L523 HydrophobicContact CD2-CD1 4.08Å; L500-I531 HydrophobicContact CD1-CG2 3.86Å; L500-R534 HydrophobicContact CB-CB 3.7Å; L500-R534 HydrophobicContact CD1-CB 4.26Å; L500-W535 HydrophobicContact CD1-CB 4.18Å; L500-W535 HydrophobicContact CD2-CE3 4.24Å; L500-L538 HydrophobicContact CD2-CD2 4.31Å
501	S	93.1	Very high	95.1	Very high	21 Å²	21	40 Å²	40	15%	0.147	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-46	173.2	-62.7	0	0	0	0	111.2	I497 E498 L504 Q505 R534	I497-S501 PolarHBondContact O-N 2.95Å; I497-S501 PolarHBondContact O-OG 3.4Å; E498-S501 WeakPolarHBondContact O-CB 3.39Å; E498-S501 PolarHBondContact O-N 3.46Å; E498-S501 VanDerWaalsContact O-N 3.17Å; S501-L504 WeakPolarHBondContact O-CB 3.35Å; S501-L504 PolarHBondContact O-N 3.11Å; S501-Q505 PolarHBondContact O-N 3.27Å; S501-R534 WeakPolarHBondContact OG-CD 3.45Å; S501-R534 PolarHBondContact OG-NE 3.14Å
502	L	93.9	Very high	95.2	Very high	21 Å²	21	40.6 Å²	40.6	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-44.1	178.9	-77.3	167.9	0	0	0	111.3	C465 I466 T469 E498 F499 L500 L504 Q505	C465-L502 HydrophobicContact CB-CD1 3.97Å; I466-L502 HydrophobicContact CG1-CD1 3.82Å; T469-L502 HydrophobicContact CG2-CB 3.8Å; T469-L502 WeakPolarHBondContact OG1-CB 3.32Å; E498-L502 HydrophobicContact CG-CD1 4.17Å; E498-L502 WeakPolarHBondContact O-CB 3.42Å; E498-L502 WeakPolarHBondContact O-CG 3.46Å; E498-L502 PolarHBondContact O-N 3.47Å; F499-L502 PolarHBondContact O-N 2.84Å; L500-L502 VanDerWaalsContact C-N 3.35Å; L502-L504 VanDerWaalsContact C-N 3.27Å; L502-L504 PolarHBondContact O-N 3.26Å; L502-Q505 PolarHBondContact O-N 3.44Å; L502-Q505 VanDerWaalsContact O-N 3.1Å
503	L	95.7	Very high	95.3	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-33.9	175.1	-71.4	175.4	0	0	0	113	T469 W472 I473 F499 L500 Q505 E506 L509 M517 L538	T469-L503 HydrophobicContact CG2-CD2 3.93Å; T469-L503 HydrophobicContact CG2-CG 4.37Å; W472-L503 HydrophobicContact CB-CD2 4.24Å; I473-L503 HydrophobicContact CG1-CD2 4.2Å; F499-L503 HydrophobicContact CD2-CD1 4.32Å; F499-L503 HydrophobicContact CE1-CD1 3.89Å; F499-L503 HydrophobicContact CE2-CD1 3.61Å; F499-L503 HydrophobicContact CE2-CG 4.06Å; F499-L503 HydrophobicContact CZ-CD1 3.39Å; F499-L503 HydrophobicContact CZ-CG 4.33Å; F499-L503 WeakPolarHBondContact O-CG 3.48Å; F499-L503 PolarHBondContact O-N 3.3Å; F499-L503 VanDerWaalsContact O-N 3.1Å; L500-L503 PolarHBondContact O-N 3.32Å; L503-Q505 PolarHBondContact O-N 2.96Å; L503-E506 PolarHBondContact O-N 3.38Å; L503-L509 HydrophobicContact CD2-CD1 4.18Å; L503-M517 HydrophobicContact CD1-CE 3.58Å; L503-M517 HydrophobicContact CD1-SD 4.14Å; L503-M517 HydrophobicContact CD2-CE 4.49Å; L503-L538 HydrophobicContact CB-CD1 4.2Å; L503-L538 HydrophobicContact CB-CD2 4.17Å; L503-L538 HydrophobicContact CD1-CD2 3.92Å
504	L	92.6	Very high	95.4	Very high	19 Å²	19	36.9 Å²	36.9	10%	0.099	20%	0.195	C	C	.	.	H	α-helix	trans	-71.1	-16.4	176	-77.3	169.8	0	0	0	113.6	L500 S501 L502 E506 R534 R537 L538 R541	L500-L504 WeakPolarHBondContact O-CG 3.43Å; L500-L504 PolarHBondContact O-N 2.84Å; L500-L504 VanDerWaalsContact O-N 3.09Å; S501-L504 WeakPolarHBondContact O-CB 3.35Å; S501-L504 PolarHBondContact O-N 3.11Å; L502-L504 VanDerWaalsContact C-N 3.27Å; L502-L504 PolarHBondContact O-N 3.26Å; L504-E506 VanDerWaalsContact C-N 3.26Å; L504-R534 HydrophobicContact CD1-CB 3.75Å; L504-R534 HydrophobicContact CD1-CG 3.86Å; L504-R537 HydrophobicContact CD1-CB 4.38Å; L504-R537 HydrophobicContact CD2-CB 3.96Å; L504-L538 HydrophobicContact CD2-CB 4.02Å; L504-L538 HydrophobicContact CD2-CD1 4.37Å; L504-L538 HydrophobicContact CG-CB 4.47Å; L504-R541 PolarHBondContact O-NH1 3.17Å
505	Q	90	Very high	95.6	Very high	92 Å²	92	39.1 Å²	39.1	43%	0.43	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-9.1	176	-69.9	179.9	-10	0	0	112.8	S501 L502 L503	S501-Q505 PolarHBondContact O-N 3.27Å; L502-Q505 PolarHBondContact O-N 3.44Å; L502-Q505 VanDerWaalsContact O-N 3.1Å; L503-Q505 PolarHBondContact O-N 2.96Å
506	E	93.1	Very high	95.6	Very high	77 Å²	77	39.9 Å²	39.9	36%	0.36	21%	0.206	S	C	.	.	S	Bend	trans	-98.2	171.5	-176.7	-57.9	-75	168.9	0	0	111.2	I473 L503 L504 R541	I473-E506 HydrophobicContact CD1-CB 4.39Å; I473-E506 HydrophobicContact CD1-CG 3.52Å; I473-E506 HydrophobicContact CG1-CG 4.26Å; L503-E506 PolarHBondContact O-N 3.38Å; L504-E506 VanDerWaalsContact C-N 3.26Å; E506-R541 PolarHBondContact O-NH2 3.33Å; E506-R541 VanDerWaalsContact O-NH2 3.09Å
507	E	92.8	Very high	95.7	Very high	159 Å²	159	38.6 Å²	38.6	74%	0.743	20%	0.199	S	C	*	.	S	Bend	trans	-60.3	148.1	168.9	-70.3	-60.2	152.5	0	0	110.9	L509	E507-L509 PolarHBondContact O-N 3.18Å
508	P	94.9	Very high	95.8	Very high	64 Å²	64	39.2 Å²	39.2	42%	0.416	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-52.4	126.9	179.1	-25.6	34.6	0	0	0	112.2
509	L	96.1	Very high	96	Very high	15 Å²	15	45.3 Å²	45.3	8%	0.079	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-67.6	157.4	176.5	-63.4	177.4	0	0	0	111.1	I473 L503 E507 H513 M517 C542	I473-L509 HydrophobicContact CG1-CD2 4.34Å; L503-L509 HydrophobicContact CD2-CD1 4.18Å; E507-L509 PolarHBondContact O-N 3.18Å; L509-H513 HydrophobicContact CB-CB 4.19Å; L509-H513 HydrophobicContact CD1-CB 4.39Å; L509-M517 HydrophobicContact CD1-CE 3.53Å; L509-C542 PolarHBondContact N-SG 3.08Å; L509-C542 VanDerWaalsContact N-SG 3.37Å; L509-C542 PolarHBondContact O-SG 3.5Å
510	P	97.6	Very high	96	Very high	66 Å²	66	46.1 Å²	46.1	43%	0.429	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-58.3	145.2	170.5	-21.8	32.8	0	0	0	112	S512 H513	P510-S512 PolarHBondContact O-N 3.26Å; P510-S512 VanDerWaalsContact O-N 3.11Å; P510-H513 WeakPolarHBondContact O-CB 3.09Å; P510-H513 PolarHBondContact O-N 2.69Å
511	L	97.7	Very high	96.1	Very high	70 Å²	70	47 Å²	47	37%	0.366	24%	0.238	S	C	.	.	H	α-helix	trans	-55.3	-33.4	179.7	179.6	60.6	0	0	0	113	H513 V514 K515 W544	L511-H513 PolarHBondContact O-N 3.21Å; L511-V514 HydrophobicContact CD1-CG2 4Å; L511-V514 WeakPolarHBondContact O-CG2 3.47Å; L511-K515 HydrophobicContact CD1-CG 4.36Å; L511-K515 HydrophobicContact CG-CD 4.32Å; L511-K515 WeakPolarHBondContact O-CG 3.36Å; L511-K515 PolarHBondContact O-N 3.01Å; L511-K515 VanDerWaalsContact O-N 3.12Å; L511-W544 HydrophobicContact CD1-CB 3.47Å; L511-W544 VanDerWaalsContact CD1-CB 3.47Å; L511-W544 HydrophobicContact CD1-CG 3.75Å
512	S	97.9	Very high	96.3	Very high	39 Å²	39	50.2 Å²	50.2	27%	0.273	25%	0.254	S	S	.	.	H	α-helix	trans	-57.1	-36.3	174.4	55.3	0	0	0	0	112.6	D477 P510 R516	D477-S512 WeakPolarHBondContact OD1-CB 3.43Å; D477-S512 PolarHBondContact OD1-OG 3.36Å; P510-S512 PolarHBondContact O-N 3.26Å; P510-S512 VanDerWaalsContact O-N 3.11Å; S512-R516 WeakPolarHBondContact O-CB 3.3Å; S512-R516 PolarHBondContact O-N 3.25Å
513	H	98.3	Very high	96.4	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.019	25%	0.25	C	S	.	.	H	α-helix	trans	-72.7	-48.2	-175.7	-69.5	46.9	0	0	0	111.2	W472 A475 D477 L480 L509 P510 L511 K515 R516 M517	W472-H513 HydrophobicContact CE3-CB 4.35Å; W472-H513 HydrophobicContact CZ3-CB 4.33Å; W472-H513 WeakPolarHBondContact CZ3-O 3.38Å; W472-H513 PolarHBondContact O-CD2 2.87Å; A475-H513 PolarHBondContact O-NE2 2.81Å; D477-H513 IonicContact OD1-CE1 3.63Å; D477-H513 IonicContact OD1-ND1 3.84Å; L480-H513 HydrophobicContact CD2-CB 4.47Å; L509-H513 HydrophobicContact CB-CB 4.19Å; L509-H513 HydrophobicContact CD1-CB 4.39Å; P510-H513 WeakPolarHBondContact O-CB 3.09Å; P510-H513 PolarHBondContact O-N 2.69Å; L511-H513 PolarHBondContact O-N 3.21Å; H513-K515 VanDerWaalsContact C-N 3.33Å; H513-K515 PolarHBondContact O-N 3.37Å; H513-R516 PolarHBondContact O-N 3.31Å; H513-M517 WeakPolarHBondContact O-CG 3.33Å; H513-M517 PolarHBondContact O-N 2.83Å
514	V	97.5	Very high	96.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67	-35.1	177.9	-65.4	0	0	0	0	111.7	L511 M517 Q518 W535 L538 C542 W544	L511-V514 HydrophobicContact CD1-CG2 4Å; L511-V514 WeakPolarHBondContact O-CG2 3.47Å; V514-M517 PolarHBondContact O-N 3.42Å; V514-Q518 PolarHBondContact O-N 3.01Å; V514-W535 HydrophobicContact CB-CH2 4.38Å; V514-W535 WeakPolarHBondContact O-CH2 3.33Å; V514-L538 HydrophobicContact CG1-CD2 4.45Å; V514-L538 HydrophobicContact CG1-CG 4.21Å; V514-C542 HydrophobicContact CG1-CB 3.87Å; V514-C542 HydrophobicContact CG2-CB 3.92Å; V514-W544 HydrophobicContact CB-CE3 4.49Å; V514-W544 HydrophobicContact CG2-CB 4.33Å; V514-W544 HydrophobicContact CG2-CE3 4.26Å
515	K	98.2	Very high	96.5	Very high	91 Å²	91	53.5 Å²	53.5	40%	0.396	28%	0.281	S	S	.	.	H	α-helix	trans	-62.4	-43.7	171.5	-75.7	-172.8	171.2	-165.4	0	111.8	L511 H513 Q518 E519 W544 E546	L511-K515 HydrophobicContact CD1-CG 4.36Å; L511-K515 HydrophobicContact CG-CD 4.32Å; L511-K515 WeakPolarHBondContact O-CG 3.36Å; L511-K515 PolarHBondContact O-N 3.01Å; L511-K515 VanDerWaalsContact O-N 3.12Å; H513-K515 VanDerWaalsContact C-N 3.33Å; H513-K515 PolarHBondContact O-N 3.37Å; K515-Q518 PolarHBondContact O-N 3.16Å; K515-E519 PolarHBondContact O-N 2.77Å; K515-W544 HydrophobicContact CG-CD2 4.38Å; K515-W544 HydrophobicContact CG-CZ2 4.45Å; K515-E546 IonicContact NZ-OE1 3.29Å
516	R	98.3	Very high	96.7	Very high	40 Å²	40	50.4 Å²	50.4	15%	0.151	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-43.1	174.9	-176.2	66.3	177.3	162.8	6.5	111.8	W472 L480 F483 S512 H513 Q518 E519 V520	W472-R516 HydrophobicContact CH2-CB 4.14Å; W472-R516 HydrophobicContact CH2-CG 3.9Å; W472-R516 HydrophobicContact CZ3-CB 4.27Å; W472-R516 HydrophobicContact CZ3-CG 4.33Å; L480-R516 HydrophobicContact CB-CB 4.43Å; L480-R516 HydrophobicContact CB-CG 4.02Å; L480-R516 HydrophobicContact CD1-CB 4.25Å; L480-R516 HydrophobicContact CD2-CB 4.39Å; L480-R516 HydrophobicContact CD2-CG 4.47Å; L480-R516 PolarHBondContact O-NE 2.93Å; F483-R516 PolarHBondContact O-NH2 2.96Å; F483-R516 VanDerWaalsContact O-NH2 3.16Å; S512-R516 WeakPolarHBondContact O-CB 3.3Å; S512-R516 PolarHBondContact O-N 3.25Å; H513-R516 PolarHBondContact O-N 3.31Å; R516-Q518 VanDerWaalsContact C-N 3.3Å; R516-Q518 PolarHBondContact O-N 3.08Å; R516-E519 WeakPolarHBondContact CD-OE2 3.04Å; R516-E519 IonicContact CZ-OE2 3.92Å; R516-E519 IonicContact NH1-OE1 3.49Å; R516-E519 PolarHBondContact NH1-OE1 3.44Å; R516-E519 IonicContact NH1-OE2 3.2Å; R516-E519 PolarHBondContact NH1-OE2 3.34Å; R516-E519 WeakPolarHBondContact O-CB 3.21Å; R516-E519 PolarHBondContact O-N 3.21Å; R516-E519 VanDerWaalsContact O-N 3.09Å; R516-V520 HydrophobicContact CG-CG1 4.36Å; R516-V520 VanDerWaalsContact O-CG2 3.31Å; R516-V520 WeakPolarHBondContact O-CG2 3.36Å; R516-V520 PolarHBondContact O-N 2.74Å
517	M	98.3	Very high	96.6	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-55.7	-45.4	175.4	-76.7	-179.1	-169.9	0	0	111.3	W472 F499 L503 L509 H513 V514 E519 V520 Y521 W535 L538	W472-M517 HydrophobicContact CB-CE 3.77Å; W472-M517 HydrophobicContact CD2-CE 3.25Å; W472-M517 HydrophobicContact CD2-CG 3.98Å; W472-M517 HydrophobicContact CD2-SD 4.45Å; W472-M517 HydrophobicContact CE3-CE 3.44Å; W472-M517 VanDerWaalsContact CE3-CE 3.44Å; W472-M517 HydrophobicContact CE3-CG 3.91Å; W472-M517 HydrophobicContact CG-CE 3.41Å; W472-M517 VanDerWaalsContact CG-CE 3.41Å; W472-M517 HydrophobicContact CH2-CB 4.16Å; W472-M517 HydrophobicContact CH2-CG 3.34Å; W472-M517 HydrophobicContact CZ2-CB 4.35Å; W472-M517 HydrophobicContact CZ2-CE 4.45Å; W472-M517 HydrophobicContact CZ2-CG 3.42Å; W472-M517 VanDerWaalsContact CZ2-CG 3.42Å; W472-M517 HydrophobicContact CZ3-CE 4.1Å; W472-M517 HydrophobicContact CZ3-CG 3.59Å; F499-M517 HydrophobicContact CZ-CE 4.44Å; L503-M517 HydrophobicContact CD1-CE 3.58Å; L503-M517 HydrophobicContact CD1-SD 4.14Å; L503-M517 HydrophobicContact CD2-CE 4.49Å; L509-M517 HydrophobicContact CD1-CE 3.53Å; H513-M517 WeakPolarHBondContact O-CG 3.33Å; H513-M517 PolarHBondContact O-N 2.83Å; V514-M517 PolarHBondContact O-N 3.42Å; M517-E519 VanDerWaalsContact C-N 3.34Å; M517-E519 PolarHBondContact O-N 2.84Å; M517-V520 PolarHBondContact O-N 2.9Å; M517-Y521 HydrophobicContact CB-CD2 4.21Å; M517-Y521 HydrophobicContact CG-CD2 4.34Å; M517-Y521 HydrophobicContact CG-CE2 4.24Å; M517-Y521 VanDerWaalsContact O-CB 3.31Å; M517-Y521 WeakPolarHBondContact O-CB 3.27Å; M517-Y521 PolarHBondContact O-N 3.02Å; M517-W535 HydrophobicContact CB-CH2 3.76Å; M517-W535 HydrophobicContact CB-CZ3 3.93Å; M517-W535 HydrophobicContact SD-CZ3 3.98Å; M517-L538 HydrophobicContact SD-CD2 4.2Å
518	Q	98.3	Very high	96.8	Very high	33 Å²	33	44.7 Å²	44.7	15%	0.154	25%	0.25	C	S	.	.	H	α-helix	trans	-59.3	-47	174.6	176	54.7	29.2	0	0	111.3	V514 K515 R516 V520 D522 N524 W535 W544	V514-Q518 PolarHBondContact O-N 3.01Å; K515-Q518 PolarHBondContact O-N 3.16Å; R516-Q518 VanDerWaalsContact C-N 3.3Å; R516-Q518 PolarHBondContact O-N 3.08Å; Q518-V520 VanDerWaalsContact C-N 3.29Å; Q518-V520 PolarHBondContact O-N 2.92Å; Q518-D522 PolarHBondContact NE2-OD1 3.24Å; Q518-D522 VanDerWaalsContact O-CA 3.3Å; Q518-D522 WeakPolarHBondContact O-CA 3.37Å; Q518-D522 PolarHBondContact O-N 2.74Å; Q518-N524 VanDerWaalsContact CD-ND2 3.35Å; Q518-N524 PolarHBondContact OE1-ND2 2.81Å; Q518-W535 HydrophobicContact CB-CH2 4.37Å; Q518-W535 HydrophobicContact CB-CZ2 3.93Å; Q518-W544 HydrophobicContact CB-CH2 3.61Å; Q518-W544 HydrophobicContact CB-CZ3 4.02Å; Q518-W544 HydrophobicContact CG-CH2 3.79Å
519	E	98	Very high	96.9	Very high	138 Å²	138	42.1 Å²	42.1	65%	0.645	23%	0.234	S	C	*	.	H	α-helix	trans	-58.8	-40	-177.9	-169	-166.8	161.7	0	0	112.3	K515 R516 M517	K515-E519 PolarHBondContact O-N 2.77Å; R516-E519 WeakPolarHBondContact CD-OE2 3.04Å; R516-E519 IonicContact CZ-OE2 3.92Å; R516-E519 IonicContact NH1-OE1 3.49Å; R516-E519 PolarHBondContact NH1-OE1 3.44Å; R516-E519 IonicContact NH1-OE2 3.2Å; R516-E519 PolarHBondContact NH1-OE2 3.34Å; R516-E519 WeakPolarHBondContact O-CB 3.21Å; R516-E519 PolarHBondContact O-N 3.21Å; R516-E519 VanDerWaalsContact O-N 3.09Å; M517-E519 VanDerWaalsContact C-N 3.34Å; M517-E519 PolarHBondContact O-N 2.84Å
520	V	97.9	Very high	96.9	Very high	17 Å²	17	42.1 Å²	42.1	10%	0.103	23%	0.234	C	C	.	.	H	α-helix	trans	-96.9	-23.9	-172.5	-56.7	0	0	0	0	114.7	W472 F483 Q485 R516 M517 Q518	W472-V520 HydrophobicContact CH2-CG2 4.45Å; W472-V520 HydrophobicContact CZ2-CG2 4.25Å; F483-V520 HydrophobicContact CB-CG2 4.24Å; Q485-V520 VanDerWaalsContact CA-O 3.3Å; Q485-V520 WeakPolarHBondContact CA-O 3.41Å; Q485-V520 WeakPolarHBondContact CB-O 3.33Å; Q485-V520 PolarHBondContact N-O 3.47Å; R516-V520 HydrophobicContact CG-CG1 4.36Å; R516-V520 VanDerWaalsContact O-CG2 3.31Å; R516-V520 WeakPolarHBondContact O-CG2 3.36Å; R516-V520 PolarHBondContact O-N 2.74Å; M517-V520 PolarHBondContact O-N 2.9Å; Q518-V520 VanDerWaalsContact C-N 3.29Å; Q518-V520 PolarHBondContact O-N 2.92Å
521	Y	98	Very high	96.9	Very high	17 Å²	17	39.3 Å²	39.3	7%	0.067	22%	0.215	C	C	.	.	H	α-helix	trans	-114.4	-14.6	-177.1	-56.4	-34.9	0	0	0	114.4	W472 S484 D487 V488 M517 L523	W472-Y521 AromaticContact CE2-CE2 3.69Å; W472-Y521 HydrophobicContact CZ2-CD2 4.37Å; W472-Y521 AromaticContact CZ2-CE2 3.38Å; W472-Y521 HydrophobicContact CZ2-CE2 3.38Å; W472-Y521 AromaticContact CZ2-CZ 3.67Å; W472-Y521 WeakPolarHBondContact CZ2-OH 3.42Å; W472-Y521 AromaticContact NE1-CE2 3.52Å; W472-Y521 AromaticContact NE1-CZ 3.76Å; W472-Y521 PolarHBondContact NE1-OH 3.17Å; W472-Y521 VanDerWaalsContact NE1-OH 3.11Å; S484-Y521 WeakPolarHBondContact O-CE1 3.39Å; D487-Y521 HydrophobicContact CB-CE1 3.87Å; D487-Y521 WeakPolarHBondContact CB-OH 3.45Å; D487-Y521 PolarHBondContact OD2-OH 2.9Å; V488-Y521 HydrophobicContact CB-CD1 4.24Å; V488-Y521 HydrophobicContact CB-CE1 4.4Å; V488-Y521 HydrophobicContact CG1-CD1 3.76Å; V488-Y521 HydrophobicContact CG1-CD2 4.17Å; V488-Y521 HydrophobicContact CG1-CE1 3.68Å; V488-Y521 HydrophobicContact CG1-CE2 4.09Å; V488-Y521 HydrophobicContact CG1-CG 4.03Å; V488-Y521 HydrophobicContact CG2-CD1 3.45Å; V488-Y521 VanDerWaalsContact CG2-CD1 3.45Å; V488-Y521 HydrophobicContact CG2-CE1 3.98Å; V488-Y521 HydrophobicContact CG2-CG 4.02Å; M517-Y521 HydrophobicContact CB-CD2 4.21Å; M517-Y521 HydrophobicContact CG-CD2 4.34Å; M517-Y521 HydrophobicContact CG-CE2 4.24Å; M517-Y521 VanDerWaalsContact O-CB 3.31Å; M517-Y521 WeakPolarHBondContact O-CB 3.27Å; M517-Y521 PolarHBondContact O-N 3.02Å; Y521-L523 VanDerWaalsContact C-N 3.31Å; Y521-L523 PolarHBondContact O-N 3.48Å
522	D	96.8	Very high	96.9	Very high	90 Å²	90	37.9 Å²	37.9	48%	0.481	20%	0.204	S	C	.	.			trans	50.2	44.5	-179.2	-165	22.4	0	0	0	114.6	Q518 N524 A525	Q518-D522 PolarHBondContact NE2-OD1 3.24Å; Q518-D522 VanDerWaalsContact O-CA 3.3Å; Q518-D522 WeakPolarHBondContact O-CA 3.37Å; Q518-D522 PolarHBondContact O-N 2.74Å; D522-N524 PolarHBondContact O-N 3.35Å; D522-A525 WeakPolarHBondContact O-CB 3.43Å; D522-A525 PolarHBondContact O-N 3.1Å; D522-A525 VanDerWaalsContact O-N 3.07Å; D522-A525 WeakPolarHBondContact OD2-CB 3.34Å
523	L	96.5	Very high	96.9	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.031	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-65.4	-22.3	-175.1	-66.7	171.6	0	0	0	113.4	L496 L500 Y521 A525 S526 I531 W535	L496-L523 HydrophobicContact CD1-CD2 4.35Å; L496-L523 HydrophobicContact CD2-CD2 4.02Å; L496-L523 HydrophobicContact CG-CD2 4.5Å; L500-L523 HydrophobicContact CD2-CD1 4.08Å; Y521-L523 VanDerWaalsContact C-N 3.31Å; Y521-L523 PolarHBondContact O-N 3.48Å; L523-A525 PolarHBondContact O-N 2.68Å; L523-S526 WeakPolarHBondContact O-CB 3.42Å; L523-S526 PolarHBondContact O-N 2.85Å; L523-I531 HydrophobicContact CD2-CG2 4.28Å; L523-W535 HydrophobicContact CB-CB 4.42Å; L523-W535 HydrophobicContact CB-CD2 3.62Å; L523-W535 HydrophobicContact CB-CE3 4.27Å; L523-W535 HydrophobicContact CB-CG 3.67Å; L523-W535 HydrophobicContact CB-CZ2 4.16Å; L523-W535 HydrophobicContact CD1-CD2 3.7Å; L523-W535 HydrophobicContact CD1-CE3 3.43Å; L523-W535 VanDerWaalsContact CD1-CE3 3.43Å; L523-W535 HydrophobicContact CD1-CG 4.27Å; L523-W535 HydrophobicContact CD1-CH2 4.22Å; L523-W535 HydrophobicContact CD1-CZ2 4.42Å; L523-W535 HydrophobicContact CD1-CZ3 3.74Å; L523-W535 HydrophobicContact CG-CD2 4.32Å
524	N	96.3	Very high	96.8	Very high	42 Å²	42	37.3 Å²	37.3	23%	0.225	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61.2	-25.8	172.5	-75.5	-18.4	0	0	0	113.5	Q518 D522 S526 R532 W535	Q518-N524 VanDerWaalsContact CD-ND2 3.35Å; Q518-N524 PolarHBondContact OE1-ND2 2.81Å; D522-N524 PolarHBondContact O-N 3.35Å; N524-S526 VanDerWaalsContact C-N 3.33Å; N524-R532 PolarHBondContact O-NH1 3.06Å; N524-W535 PolarHBondContact OD1-NE1 3.07Å
525	A	94.5	Very high	96.9	Very high	64 Å²	64	37.3 Å²	37.3	53%	0.529	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-80.8	-10.1	179.7	0	0	0	0	0	113.6	D522 L523 T527	D522-A525 WeakPolarHBondContact O-CB 3.43Å; D522-A525 PolarHBondContact O-N 3.1Å; D522-A525 VanDerWaalsContact O-N 3.07Å; D522-A525 WeakPolarHBondContact OD2-CB 3.34Å; L523-A525 PolarHBondContact O-N 2.68Å; A525-T527 PolarHBondContact O-N 2.76Å
526	S	94.3	Very high	96.9	Very high	26 Å²	26	33 Å²	33	18%	0.182	18%	0.178	C	C	.	.			trans	-63.4	127.5	-178.1	179.5	0	0	0	0	112.4	L523 N524 N528	L523-S526 WeakPolarHBondContact O-CB 3.42Å; L523-S526 PolarHBondContact O-N 2.85Å; N524-S526 VanDerWaalsContact C-N 3.33Å; S526-N528 PolarHBondContact OG-N 3.13Å
527	T	90.9	Very high	96.9	Very high	112 Å²	112	33.8 Å²	33.8	69%	0.687	18%	0.181	S	C	*	.			trans	-87.2	-16.8	170.7	52.3	0	0	0	0	112.8	A281 A525 S529	A281-T527 PolarHBondContact O-OG1 3.44Å; A525-T527 PolarHBondContact O-N 2.76Å; T527-S529 PolarHBondContact O-N 3.48Å
528	N	96.9	Very high	96.9	Very high	4 Å²	4	34 Å²	34	2%	0.021	18%	0.182	C	C	.	.			trans	-68	119.1	175.2	180	-55.2	0	0	0	109.9	A281 S285 S526 E530 I531 R532	A281-N528 HydrophobicContact CB-CB 4.27Å; S285-N528 PolarHBondContact OG-ND2 3.12Å; S526-N528 PolarHBondContact OG-N 3.13Å; N528-E530 PolarHBondContact O-N 2.8Å; N528-E530 PolarHBondContact OD1-N 2.89Å; N528-I531 HydrophobicContact CB-CB 4.21Å; N528-I531 HydrophobicContact CB-CD1 3.83Å; N528-I531 HydrophobicContact CB-CG1 4.2Å; N528-I531 PolarHBondContact O-N 3.34Å; N528-I531 PolarHBondContact OD1-N 3.34Å; N528-I531 VanDerWaalsContact OD1-N 3.08Å; N528-R532 VanDerWaalsContact O-CB 3.32Å; N528-R532 WeakPolarHBondContact O-CB 3.4Å; N528-R532 PolarHBondContact O-N 3.09Å
529	S	96.5	Very high	96.9	Very high	11 Å²	11	32.4 Å²	32.4	8%	0.077	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-36.9	-174.5	63	0	0	0	0	113.2	T278 L286 T527 F533 M554	T278-S529 WeakPolarHBondContact O-CB 3.3Å; T278-S529 PolarHBondContact O-OG 3.42Å; L286-S529 WeakPolarHBondContact CD1-OG 3.37Å; T527-S529 PolarHBondContact O-N 3.48Å; S529-F533 WeakPolarHBondContact O-CB 3.48Å; S529-F533 PolarHBondContact O-N 3.15Å; S529-M554 WeakPolarHBondContact O-CE 3.21Å
530	E	96.2	Very high	96.9	Very high	15 Å²	15	26 Å²	26	7%	0.07	15%	0.145	C	C	.	.	H	α-helix	trans	-71.2	-35.5	-179.9	-67.5	-73.8	168.7	0	0	112.2	L286 I497 N528 R534 R560 K562 F563	L286-E530 HydrophobicContact CD1-CG 4.34Å; L286-E530 HydrophobicContact CD2-CB 4.18Å; L286-E530 HydrophobicContact CD2-CG 3.66Å; I497-E530 HydrophobicContact CD1-CB 3.6Å; I497-E530 HydrophobicContact CD1-CG 4.42Å; I497-E530 HydrophobicContact CG1-CB 3.92Å; N528-E530 PolarHBondContact O-N 2.8Å; N528-E530 PolarHBondContact OD1-N 2.89Å; E530-R534 WeakPolarHBondContact O-CG 3.43Å; E530-R534 PolarHBondContact O-N 3.19Å; E530-R534 PolarHBondContact O-NH1 3.05Å; E530-R534 IonicContact OE2-CZ 2.95Å; E530-R534 IonicContact OE2-NH1 3.63Å; E530-R534 PolarHBondContact OE2-NH1 2.94Å; E530-R534 IonicContact OE2-NH2 3.77Å; E530-R534 PolarHBondContact OE2-NH2 3.27Å; E530-R560 IonicContact OE1-NH1 3.77Å; E530-R560 PolarHBondContact OE1-NH1 3.08Å; E530-K562 VanDerWaalsContact CD-NZ 3.28Å; E530-K562 WeakPolarHBondContact OE1-CE 3.2Å; E530-K562 IonicContact OE1-NZ 3.63Å; E530-K562 PolarHBondContact OE1-NZ 3.39Å; E530-K562 WeakPolarHBondContact OE2-CE 3.49Å; E530-K562 IonicContact OE2-NZ 2.77Å; E530-K562 PolarHBondContact OE2-NZ 2.83Å; E530-F563 HydrophobicContact CG-CZ 4.21Å; E530-F563 WeakPolarHBondContact OE1-CZ 3.36Å
531	I	97.7	Very high	96.8	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-68.5	-54.7	172.8	-67.4	168	0	0	0	109.5	L496 I497 L500 L523 N528 F533 R534 W535	L496-I531 HydrophobicContact CB-CD1 4.34Å; L496-I531 HydrophobicContact CD2-CD1 3.82Å; L496-I531 HydrophobicContact CD2-CG1 4.4Å; L496-I531 HydrophobicContact CD2-CG2 4.21Å; L496-I531 HydrophobicContact CG-CD1 4.31Å; L496-I531 HydrophobicContact CG-CG1 4.48Å; I497-I531 HydrophobicContact CD1-CG1 4.34Å; I497-I531 HydrophobicContact CG1-CD1 4.44Å; I497-I531 HydrophobicContact CG1-CG1 3.56Å; L500-I531 HydrophobicContact CD1-CG2 3.86Å; L523-I531 HydrophobicContact CD2-CG2 4.28Å; N528-I531 HydrophobicContact CB-CB 4.21Å; N528-I531 HydrophobicContact CB-CD1 3.83Å; N528-I531 HydrophobicContact CB-CG1 4.2Å; N528-I531 PolarHBondContact O-N 3.34Å; N528-I531 PolarHBondContact OD1-N 3.34Å; N528-I531 VanDerWaalsContact OD1-N 3.08Å; I531-F533 VanDerWaalsContact C-N 3.29Å; I531-F533 PolarHBondContact O-N 2.96Å; I531-R534 PolarHBondContact O-N 3.34Å; I531-W535 VanDerWaalsContact O-CB 3.29Å; I531-W535 WeakPolarHBondContact O-CB 3.32Å; I531-W535 PolarHBondContact O-N 3.35Å
532	R	97.9	Very high	96.7	Very high	40 Å²	40	28.1 Å²	28.1	15%	0.151	15%	0.152	C	C	.	.	H	α-helix	trans	-56.7	-43.9	-177.8	-173.7	-176	176.8	84.1	3.8	111.3	N524 N528 W535 L536 M554	N524-R532 PolarHBondContact O-NH1 3.06Å; N528-R532 VanDerWaalsContact O-CB 3.32Å; N528-R532 WeakPolarHBondContact O-CB 3.4Å; N528-R532 PolarHBondContact O-N 3.09Å; R532-W535 PolarHBondContact O-N 3.31Å; R532-L536 HydrophobicContact CG-CD1 3.81Å; R532-L536 HydrophobicContact CG-CG 4.37Å; R532-L536 WeakPolarHBondContact O-CB 3.38Å; R532-L536 WeakPolarHBondContact O-CG 3.12Å; R532-L536 PolarHBondContact O-N 2.87Å; R532-M554 HydrophobicContact CB-CE 4.42Å; R532-M554 HydrophobicContact CB-SD 4.14Å; R532-M554 HydrophobicContact CG-SD 3.68Å
533	F	97.6	Very high	96.7	Very high	10 Å²	10	30 Å²	30	4%	0.044	16%	0.157	C	C	.	.	H	α-helix	trans	-57.1	-54.3	177.2	166.1	-116.4	0	0	0	112.6	S529 I531 W535 L536 R537 M554 K562 F563 P566 L567	S529-F533 WeakPolarHBondContact O-CB 3.48Å; S529-F533 PolarHBondContact O-N 3.15Å; I531-F533 VanDerWaalsContact C-N 3.29Å; I531-F533 PolarHBondContact O-N 2.96Å; F533-W535 VanDerWaalsContact C-N 3.34Å; F533-W535 PolarHBondContact O-N 3.29Å; F533-L536 PolarHBondContact O-N 2.78Å; F533-R537 HydrophobicContact CD2-CG 4.24Å; F533-R537 HydrophobicContact CE2-CG 3.92Å; F533-R537 HydrophobicContact CZ-CG 4.33Å; F533-R537 WeakPolarHBondContact O-CG 3.47Å; F533-R537 PolarHBondContact O-N 3.14Å; F533-M554 HydrophobicContact CB-CE 3.79Å; F533-M554 HydrophobicContact CB-SD 4.37Å; F533-K562 VanDerWaalsContact CZ-O 3.31Å; F533-K562 WeakPolarHBondContact CZ-O 3.32Å; F533-F563 HydrophobicContact CB-CD1 3.67Å; F533-F563 HydrophobicContact CB-CE1 3.93Å; F533-F563 HydrophobicContact CB-CG 4.35Å; F533-F563 AromaticContact CD1-CD1 3.71Å; F533-F563 HydrophobicContact CD1-CD1 3.71Å; F533-F563 AromaticContact CD1-CE1 3.93Å; F533-F563 HydrophobicContact CD1-CE1 3.93Å; F533-F563 HydrophobicContact CD2-CB 4Å; F533-F563 AromaticContact CD2-CD1 3.66Å; F533-F563 HydrophobicContact CD2-CD1 3.66Å; F533-F563 HydrophobicContact CD2-CG 4.22Å; F533-F563 HydrophobicContact CE1-CD1 4.21Å; F533-F563 HydrophobicContact CE2-CB 4.39Å; F533-F563 HydrophobicContact CE2-CD1 4.15Å; F533-F563 AromaticContact CG-CD1 3.39Å; F533-F563 HydrophobicContact CG-CD1 3.39Å; F533-F563 AromaticContact CG-CE1 3.91Å; F533-F563 HydrophobicContact CG-CE1 3.91Å; F533-F563 HydrophobicContact CG-CG 4.27Å; F533-F563 HydrophobicContact CZ-CD1 4.4Å; F533-P566 HydrophobicContact CE2-CB 3.93Å; F533-P566 HydrophobicContact CE2-CG 4.21Å; F533-P566 HydrophobicContact CZ-CB 3.94Å; F533-P566 HydrophobicContact CZ-CG 4.01Å; F533-L567 HydrophobicContact CD2-CD1 4.17Å; F533-L567 HydrophobicContact CD2-CD2 4.23Å; F533-L567 HydrophobicContact CD2-CG 3.94Å; F533-L567 HydrophobicContact CE2-CG 4.13Å
534	R	97.4	Very high	96.8	Very high	21 Å²	21	30.3 Å²	30.3	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-41	-177.4	-71.2	172.9	175.8	69.9	-0.1	111.5	I497 L500 S501 L504 E530 I531 R537 L538	I497-R534 WeakPolarHBondContact O-CD 3.06Å; L500-R534 HydrophobicContact CB-CB 3.7Å; L500-R534 HydrophobicContact CD1-CB 4.26Å; S501-R534 WeakPolarHBondContact OG-CD 3.45Å; S501-R534 PolarHBondContact OG-NE 3.14Å; L504-R534 HydrophobicContact CD1-CB 3.75Å; L504-R534 HydrophobicContact CD1-CG 3.86Å; E530-R534 WeakPolarHBondContact O-CG 3.43Å; E530-R534 PolarHBondContact O-N 3.19Å; E530-R534 PolarHBondContact O-NH1 3.05Å; E530-R534 IonicContact OE2-CZ 2.95Å; E530-R534 IonicContact OE2-NH1 3.63Å; E530-R534 PolarHBondContact OE2-NH1 2.94Å; E530-R534 IonicContact OE2-NH2 3.77Å; E530-R534 PolarHBondContact OE2-NH2 3.27Å; I531-R534 PolarHBondContact O-N 3.34Å; R534-R537 PolarHBondContact O-N 3.49Å; R534-L538 WeakPolarHBondContact O-CB 3.31Å; R534-L538 PolarHBondContact O-N 2.94Å
535	W	98.4	Very high	96.9	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-58.7	-49.9	176.3	171.9	-122	0	0	0	112.2	L500 V514 M517 Q518 L523 N524 I531 R532 F533 R537 L538 C539 W544	L500-W535 HydrophobicContact CD1-CB 4.18Å; L500-W535 HydrophobicContact CD2-CE3 4.24Å; V514-W535 HydrophobicContact CB-CH2 4.38Å; V514-W535 WeakPolarHBondContact O-CH2 3.33Å; M517-W535 HydrophobicContact CB-CH2 3.76Å; M517-W535 HydrophobicContact CB-CZ3 3.93Å; M517-W535 HydrophobicContact SD-CZ3 3.98Å; Q518-W535 HydrophobicContact CB-CH2 4.37Å; Q518-W535 HydrophobicContact CB-CZ2 3.93Å; L523-W535 HydrophobicContact CB-CB 4.42Å; L523-W535 HydrophobicContact CB-CD2 3.62Å; L523-W535 HydrophobicContact CB-CE3 4.27Å; L523-W535 HydrophobicContact CB-CG 3.67Å; L523-W535 HydrophobicContact CB-CZ2 4.16Å; L523-W535 HydrophobicContact CD1-CD2 3.7Å; L523-W535 HydrophobicContact CD1-CE3 3.43Å; L523-W535 VanDerWaalsContact CD1-CE3 3.43Å; L523-W535 HydrophobicContact CD1-CG 4.27Å; L523-W535 HydrophobicContact CD1-CH2 4.22Å; L523-W535 HydrophobicContact CD1-CZ2 4.42Å; L523-W535 HydrophobicContact CD1-CZ3 3.74Å; L523-W535 HydrophobicContact CG-CD2 4.32Å; N524-W535 PolarHBondContact OD1-NE1 3.07Å; I531-W535 VanDerWaalsContact O-CB 3.29Å; I531-W535 WeakPolarHBondContact O-CB 3.32Å; I531-W535 PolarHBondContact O-N 3.35Å; R532-W535 PolarHBondContact O-N 3.31Å; F533-W535 VanDerWaalsContact C-N 3.34Å; F533-W535 PolarHBondContact O-N 3.29Å; W535-R537 PolarHBondContact O-N 2.87Å; W535-L538 HydrophobicContact CE3-CD2 4.18Å; W535-L538 HydrophobicContact CZ3-CD2 4.16Å; W535-L538 WeakPolarHBondContact O-CB 3.39Å; W535-L538 PolarHBondContact O-N 2.88Å; W535-C539 VanDerWaalsContact CD2-SG 3.56Å; W535-C539 VanDerWaalsContact CH2-SG 3.6Å; W535-C539 WeakPolarHBondContact CZ2-SG 3.41Å; W535-C539 PolarHBondContact O-N 2.89Å; W535-C539 PolarHBondContact O-SG 2.55Å; W535-W544 HydrophobicContact CH2-CZ3 4.23Å; W535-W544 AromaticContact CZ2-CZ3 3.7Å; W535-W544 HydrophobicContact CZ2-CZ3 3.7Å
536	L	98.4	Very high	97.1	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-39	179.6	-68.9	174.3	0	0	0	112.1	R532 F533 C539 V540 L550 A551 M554 L567	R532-L536 HydrophobicContact CG-CD1 3.81Å; R532-L536 HydrophobicContact CG-CG 4.37Å; R532-L536 WeakPolarHBondContact O-CB 3.38Å; R532-L536 WeakPolarHBondContact O-CG 3.12Å; R532-L536 PolarHBondContact O-N 2.87Å; F533-L536 PolarHBondContact O-N 2.78Å; L536-C539 PolarHBondContact O-N 3.43Å; L536-V540 VanDerWaalsContact O-CG2 3.32Å; L536-V540 WeakPolarHBondContact O-CG2 3.35Å; L536-V540 PolarHBondContact O-N 3.45Å; L536-L550 HydrophobicContact CD1-CB 4.4Å; L536-L550 HydrophobicContact CD2-CB 3.55Å; L536-L550 HydrophobicContact CD2-CD1 4.24Å; L536-A551 HydrophobicContact CB-CB 4.31Å; L536-M554 HydrophobicContact CD1-CB 3.99Å; L536-M554 HydrophobicContact CD1-SD 3.82Å; L536-L567 HydrophobicContact CB-CD2 4Å
537	R	97.8	Very high	97.2	Very high	56 Å²	56	33.9 Å²	33.9	21%	0.211	16%	0.16	C	C	.	.	H	α-helix	trans	-59.8	-46.1	171.8	-73.5	-171.4	64.2	-157	0.5	111.9	L504 F533 R534 W535 C539 V540 R541 L567 E570	L504-R537 HydrophobicContact CD1-CB 4.38Å; L504-R537 HydrophobicContact CD2-CB 3.96Å; F533-R537 HydrophobicContact CD2-CG 4.24Å; F533-R537 HydrophobicContact CE2-CG 3.92Å; F533-R537 HydrophobicContact CZ-CG 4.33Å; F533-R537 WeakPolarHBondContact O-CG 3.47Å; F533-R537 PolarHBondContact O-N 3.14Å; R534-R537 PolarHBondContact O-N 3.49Å; W535-R537 PolarHBondContact O-N 2.87Å; R537-C539 VanDerWaalsContact C-N 3.34Å; R537-C539 PolarHBondContact O-N 3.32Å; R537-V540 PolarHBondContact O-N 2.88Å; R537-R541 WeakPolarHBondContact O-CB 3.45Å; R537-R541 WeakPolarHBondContact O-CG 3.5Å; R537-R541 PolarHBondContact O-N 2.97Å; R537-L567 HydrophobicContact CG-CD2 3.86Å; R537-E570 HydrophobicContact CB-CG 4.21Å; R537-E570 HydrophobicContact CG-CG 3.9Å; R537-E570 IonicContact CZ-OE1 2.69Å; R537-E570 VanDerWaalsContact CZ-OE1 3.29Å; R537-E570 IonicContact NE-OE1 3.91Å; R537-E570 PolarHBondContact NE-OE1 3.16Å; R537-E570 IonicContact NH2-OE1 3.4Å; R537-E570 PolarHBondContact NH2-OE1 3.33Å
538	L	97.8	Very high	97.6	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-59.6	-47.1	178.8	-179.5	66.1	0	0	0	110.4	L500 L503 L504 V514 M517 R534 W535 V540 R541 C542	L500-L538 HydrophobicContact CD2-CD2 4.31Å; L503-L538 HydrophobicContact CB-CD1 4.2Å; L503-L538 HydrophobicContact CB-CD2 4.17Å; L503-L538 HydrophobicContact CD1-CD2 3.92Å; L504-L538 HydrophobicContact CD2-CB 4.02Å; L504-L538 HydrophobicContact CD2-CD1 4.37Å; L504-L538 HydrophobicContact CG-CB 4.47Å; V514-L538 HydrophobicContact CG1-CD2 4.45Å; V514-L538 HydrophobicContact CG1-CG 4.21Å; M517-L538 HydrophobicContact SD-CD2 4.2Å; R534-L538 WeakPolarHBondContact O-CB 3.31Å; R534-L538 PolarHBondContact O-N 2.94Å; W535-L538 HydrophobicContact CE3-CD2 4.18Å; W535-L538 HydrophobicContact CZ3-CD2 4.16Å; W535-L538 WeakPolarHBondContact O-CB 3.39Å; W535-L538 PolarHBondContact O-N 2.88Å; L538-V540 PolarHBondContact O-N 2.73Å; L538-R541 PolarHBondContact O-N 2.96Å; L538-C542 WeakPolarHBondContact O-CB 3.47Å; L538-C542 PolarHBondContact O-N 3.47Å; L538-C542 PolarHBondContact O-SG 3.02Å
539	C	98.4	Very high	97.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-46.9	179	-65.9	0	0	0	0	112.8	W535 L536 R537 C542 Q543 W544 A547	W535-C539 VanDerWaalsContact CD2-SG 3.56Å; W535-C539 VanDerWaalsContact CH2-SG 3.6Å; W535-C539 WeakPolarHBondContact CZ2-SG 3.41Å; W535-C539 PolarHBondContact O-N 2.89Å; W535-C539 PolarHBondContact O-SG 2.55Å; L536-C539 PolarHBondContact O-N 3.43Å; R537-C539 VanDerWaalsContact C-N 3.34Å; R537-C539 PolarHBondContact O-N 3.32Å; C539-C542 CarbonylContact O-C 3.6Å; C539-C542 PolarHBondContact O-N 3.06Å; C539-Q543 PolarHBondContact O-N 3.3Å; C539-W544 HydrophobicContact CB-CB 4.41Å; C539-W544 HydrophobicContact CB-CE3 3.83Å; C539-W544 HydrophobicContact CB-CZ3 4.5Å; C539-W544 WeakPolarHBondContact O-CB 3.39Å; C539-W544 PolarHBondContact O-N 3.33Å; C539-W544 VanDerWaalsContact SG-CE3 3.52Å; C539-A547 HydrophobicContact CB-CB 3.37Å
540	V	98.1	Very high	97.7	Very high	3 Å²	3	34 Å²	34	2%	0.018	16%	0.16	C	C	.	.	H	α-helix	trans	-66.9	-41.4	180	174.6	0	0	0	0	111	L536 R537 L538 C542 Q543 V548 A551 E570 V571 F574	L536-V540 VanDerWaalsContact O-CG2 3.32Å; L536-V540 WeakPolarHBondContact O-CG2 3.35Å; L536-V540 PolarHBondContact O-N 3.45Å; R537-V540 PolarHBondContact O-N 2.88Å; L538-V540 PolarHBondContact O-N 2.73Å; V540-C542 VanDerWaalsContact C-N 3.27Å; V540-C542 PolarHBondContact O-N 3.09Å; V540-Q543 WeakPolarHBondContact O-CA 3.41Å; V540-Q543 PolarHBondContact O-N 3.26Å; V540-V548 HydrophobicContact CG2-CG2 4.49Å; V540-A551 HydrophobicContact CG2-CB 3.86Å; V540-E570 HydrophobicContact CB-CB 4.27Å; V540-E570 HydrophobicContact CG1-CB 3.81Å; V540-V571 HydrophobicContact CG1-CG2 4.14Å; V540-V571 HydrophobicContact CG2-CG2 4.28Å; V540-F574 HydrophobicContact CG1-CB 4.37Å; V540-F574 HydrophobicContact CG1-CD1 4.31Å
541	R	96.1	Very high	97.8	Very high	72 Å²	72	33.3 Å²	33.3	27%	0.272	16%	0.157	S	C	.	.	H	α-helix	trans	-61.3	-34.8	174.3	-77.7	-176.6	62.7	-167.8	-7.2	113	L504 E506 R537 L538 Q543 E570	L504-R541 PolarHBondContact O-NH1 3.17Å; E506-R541 PolarHBondContact O-NH2 3.33Å; E506-R541 VanDerWaalsContact O-NH2 3.09Å; R537-R541 WeakPolarHBondContact O-CB 3.45Å; R537-R541 WeakPolarHBondContact O-CG 3.5Å; R537-R541 PolarHBondContact O-N 2.97Å; L538-R541 PolarHBondContact O-N 2.96Å; R541-Q543 PolarHBondContact O-N 3.41Å; R541-E570 HydrophobicContact CG-CG 4.48Å; R541-E570 WeakPolarHBondContact CG-OE2 3.34Å
542	C	96.9	Very high	97.9	Very high	7 Å²	7	33.6 Å²	33.6	5%	0.047	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	13.4	174.1	-56.8	0	0	0	0	113.1	L509 V514 L538 C539 V540 W544	L509-C542 PolarHBondContact N-SG 3.08Å; L509-C542 VanDerWaalsContact N-SG 3.37Å; L509-C542 PolarHBondContact O-SG 3.5Å; V514-C542 HydrophobicContact CG1-CB 3.87Å; V514-C542 HydrophobicContact CG2-CB 3.92Å; L538-C542 WeakPolarHBondContact O-CB 3.47Å; L538-C542 PolarHBondContact O-N 3.47Å; L538-C542 PolarHBondContact O-SG 3.02Å; C539-C542 CarbonylContact O-C 3.6Å; C539-C542 PolarHBondContact O-N 3.06Å; V540-C542 VanDerWaalsContact C-N 3.27Å; V540-C542 PolarHBondContact O-N 3.09Å; C542-W544 VanDerWaalsContact C-N 3.3Å; C542-W544 PolarHBondContact O-N 3.02Å
543	Q	97.1	Very high	97.8	Very high	128 Å²	128	37.3 Å²	37.3	60%	0.598	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	32.1	176.4	-58.5	-175.7	-22.8	0	0	114.6	C539 V540 R541 E545 F574	C539-Q543 PolarHBondContact O-N 3.3Å; V540-Q543 WeakPolarHBondContact O-CA 3.41Å; V540-Q543 PolarHBondContact O-N 3.26Å; R541-Q543 PolarHBondContact O-N 3.41Å; Q543-E545 PolarHBondContact O-N 2.86Å; Q543-F574 HydrophobicContact CB-CE1 4.22Å; Q543-F574 HydrophobicContact CB-CE2 3.95Å; Q543-F574 HydrophobicContact CB-CZ 3.67Å; Q543-F574 HydrophobicContact CG-CD2 4.34Å; Q543-F574 HydrophobicContact CG-CE2 3.95Å; Q543-F574 HydrophobicContact CG-CZ 4.17Å
544	W	98.1	Very high	97.8	Very high	13 Å²	13	37.1 Å²	37.1	5%	0.049	17%	0.174	C	C	.	.			trans	-82.4	102.7	174.9	-170.6	14	0	0	0	111.9	L511 V514 K515 Q518 W535 C539 C542 E546 A547	L511-W544 HydrophobicContact CD1-CB 3.47Å; L511-W544 VanDerWaalsContact CD1-CB 3.47Å; L511-W544 HydrophobicContact CD1-CG 3.75Å; V514-W544 HydrophobicContact CB-CE3 4.49Å; V514-W544 HydrophobicContact CG2-CB 4.33Å; V514-W544 HydrophobicContact CG2-CE3 4.26Å; K515-W544 HydrophobicContact CG-CD2 4.38Å; K515-W544 HydrophobicContact CG-CZ2 4.45Å; Q518-W544 HydrophobicContact CB-CH2 3.61Å; Q518-W544 HydrophobicContact CB-CZ3 4.02Å; Q518-W544 HydrophobicContact CG-CH2 3.79Å; W535-W544 HydrophobicContact CH2-CZ3 4.23Å; W535-W544 AromaticContact CZ2-CZ3 3.7Å; W535-W544 HydrophobicContact CZ2-CZ3 3.7Å; C539-W544 HydrophobicContact CB-CB 4.41Å; C539-W544 HydrophobicContact CB-CE3 3.83Å; C539-W544 HydrophobicContact CB-CZ3 4.5Å; C539-W544 WeakPolarHBondContact O-CB 3.39Å; C539-W544 PolarHBondContact O-N 3.33Å; C539-W544 VanDerWaalsContact SG-CE3 3.52Å; C542-W544 VanDerWaalsContact C-N 3.3Å; C542-W544 PolarHBondContact O-N 3.02Å; W544-E546 VanDerWaalsContact C-N 3.34Å; W544-E546 HydrophobicContact CZ2-CB 4.44Å; W544-E546 PolarHBondContact NE1-OE1 3.23Å; W544-E546 PolarHBondContact O-N 2.92Å; W544-A547 HydrophobicContact CD2-CB 4.48Å; W544-A547 HydrophobicContact CE3-CB 4.33Å; W544-A547 WeakPolarHBondContact O-CB 3.35Å; W544-A547 PolarHBondContact O-N 2.96Å; W544-A547 VanDerWaalsContact O-N 3.09Å
545	E	98.3	Very high	97.7	Very high	83 Å²	83	36.1 Å²	36.1	39%	0.388	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-55.6	-40.4	-174.8	-61.6	-164.3	-173.4	0	0	114.7	Q543 A547 V548 P549 F574 K576 Y577	Q543-E545 PolarHBondContact O-N 2.86Å; E545-A547 PolarHBondContact O-N 3.29Å; E545-V548 WeakPolarHBondContact O-CB 3.3Å; E545-V548 PolarHBondContact O-N 3.4Å; E545-V548 VanDerWaalsContact O-N 3.11Å; E545-P549 WeakPolarHBondContact O-CD 3.47Å; E545-F574 HydrophobicContact CG-CE1 4.46Å; E545-F574 HydrophobicContact CG-CZ 4.23Å; E545-K576 IonicContact OE1-NZ 3.52Å; E545-K576 PolarHBondContact OE1-NZ 3.42Å; E545-K576 IonicContact OE2-NZ 2.74Å; E545-K576 PolarHBondContact OE2-NZ 3.19Å; E545-Y577 HydrophobicContact CB-CE2 4.25Å; E545-Y577 WeakPolarHBondContact CB-OH 3.21Å; E545-Y577 HydrophobicContact CG-CE2 3.99Å; E545-Y577 PolarHBondContact OE2-OH 2.84Å; E545-Y577 VanDerWaalsContact OE2-OH 3.1Å
546	E	97.8	Very high	97.5	Very high	123 Å²	123	38 Å²	38	58%	0.575	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-66.2	-19.3	-178.4	-62.5	161.6	-121.2	0	0	112.6	K515 W544 P549	K515-E546 IonicContact NZ-OE1 3.29Å; W544-E546 VanDerWaalsContact C-N 3.34Å; W544-E546 HydrophobicContact CZ2-CB 4.44Å; W544-E546 PolarHBondContact NE1-OE1 3.23Å; W544-E546 PolarHBondContact O-N 2.92Å; E546-P549 WeakPolarHBondContact O-CD 3.37Å; E546-P549 WeakPolarHBondContact O-CG 3.46Å
547	A	97.9	Very high	97.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-82	-19.2	176.4	0	0	0	0	0	113.3	C539 W544 E545 L550 A551	C539-A547 HydrophobicContact CB-CB 3.37Å; W544-A547 HydrophobicContact CD2-CB 4.48Å; W544-A547 HydrophobicContact CE3-CB 4.33Å; W544-A547 WeakPolarHBondContact O-CB 3.35Å; W544-A547 PolarHBondContact O-N 2.96Å; W544-A547 VanDerWaalsContact O-N 3.09Å; E545-A547 PolarHBondContact O-N 3.29Å; A547-L550 WeakPolarHBondContact O-CB 3.45Å; A547-L550 PolarHBondContact O-N 3.49Å; A547-L550 VanDerWaalsContact O-N 3.15Å; A547-A551 WeakPolarHBondContact O-CB 3.33Å; A547-A551 PolarHBondContact O-N 3.21Å
548	V	98.4	Very high	96.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-57.7	-50.9	179.7	175.2	0	0	0	0	113	V540 E545 L550 A551 L552 V571 F574 Y577	V540-V548 HydrophobicContact CG2-CG2 4.49Å; E545-V548 WeakPolarHBondContact O-CB 3.3Å; E545-V548 PolarHBondContact O-N 3.4Å; E545-V548 VanDerWaalsContact O-N 3.11Å; V548-L550 PolarHBondContact O-N 3.11Å; V548-A551 PolarHBondContact O-N 3.41Å; V548-L552 HydrophobicContact CG1-CD1 3.85Å; V548-L552 HydrophobicContact CG1-CG 4.37Å; V548-L552 WeakPolarHBondContact O-CG 3.45Å; V548-L552 PolarHBondContact O-N 3.43Å; V548-V571 HydrophobicContact CG1-CG1 3.72Å; V548-V571 HydrophobicContact CG1-CG2 4.49Å; V548-F574 HydrophobicContact CG2-CD1 3.97Å; V548-F574 HydrophobicContact CG2-CE1 4.13Å; V548-Y577 HydrophobicContact CB-CD1 4.28Å; V548-Y577 HydrophobicContact CB-CE1 4.36Å; V548-Y577 HydrophobicContact CB-CG 4.35Å; V548-Y577 HydrophobicContact CG1-CD1 3.66Å; V548-Y577 HydrophobicContact CG1-CD2 4.44Å; V548-Y577 HydrophobicContact CG1-CE1 4.15Å; V548-Y577 HydrophobicContact CG1-CG 3.81Å; V548-Y577 HydrophobicContact CG2-CD1 4.34Å; V548-Y577 HydrophobicContact CG2-CD2 3.73Å; V548-Y577 HydrophobicContact CG2-CE1 4.48Å; V548-Y577 HydrophobicContact CG2-CE2 3.9Å; V548-Y577 HydrophobicContact CG2-CG 3.96Å
549	P	98.3	Very high	96.1	Very high	79 Å²	79	40.4 Å²	40.4	51%	0.513	20%	0.197	S	C	.	.	H	α-helix	trans	-62.2	-31.2	176.8	23.4	-34.2	0	0	0	112.7	E545 E546 K553	E545-P549 WeakPolarHBondContact O-CD 3.47Å; E546-P549 WeakPolarHBondContact O-CD 3.37Å; E546-P549 WeakPolarHBondContact O-CG 3.46Å; P549-K553 WeakPolarHBondContact O-CB 3.39Å; P549-K553 PolarHBondContact O-N 3.38Å
550	L	98.1	Very high	95.8	Very high	50 Å²	50	41.5 Å²	41.5	26%	0.262	20%	0.201	S	C	.	.	H	α-helix	trans	-70.4	-41.9	176.1	-57.9	178.2	0	0	0	111.8	L536 A547 V548 K553 M554	L536-L550 HydrophobicContact CD1-CB 4.4Å; L536-L550 HydrophobicContact CD2-CB 3.55Å; L536-L550 HydrophobicContact CD2-CD1 4.24Å; A547-L550 WeakPolarHBondContact O-CB 3.45Å; A547-L550 PolarHBondContact O-N 3.49Å; A547-L550 VanDerWaalsContact O-N 3.15Å; V548-L550 PolarHBondContact O-N 3.11Å; L550-K553 PolarHBondContact O-N 2.85Å; L550-M554 PolarHBondContact O-N 3.1Å
551	A	98.2	Very high	95.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.6	-46.9	175.9	0	0	0	0	0	111.7	L536 V540 A547 V548 M554 A555 L567 V571	L536-A551 HydrophobicContact CB-CB 4.31Å; V540-A551 HydrophobicContact CG2-CB 3.86Å; A547-A551 WeakPolarHBondContact O-CB 3.33Å; A547-A551 PolarHBondContact O-N 3.21Å; V548-A551 PolarHBondContact O-N 3.41Å; A551-M554 PolarHBondContact O-N 3.28Å; A551-A555 WeakPolarHBondContact O-CB 3.35Å; A551-A555 PolarHBondContact O-N 3.05Å; A551-L567 HydrophobicContact CB-CD2 4.15Å; A551-V571 HydrophobicContact CB-CG2 4.01Å
552	L	98.1	Very high	95	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-40.8	176.9	-71.3	172.4	0	0	0	111.7	V548 A555 T556 F568 V571 E580 A581 V584	V548-L552 HydrophobicContact CG1-CD1 3.85Å; V548-L552 HydrophobicContact CG1-CG 4.37Å; V548-L552 WeakPolarHBondContact O-CG 3.45Å; V548-L552 PolarHBondContact O-N 3.43Å; L552-A555 PolarHBondContact O-N 3.29Å; L552-T556 PolarHBondContact O-N 2.91Å; L552-T556 VanDerWaalsContact O-N 3.13Å; L552-T556 PolarHBondContact O-OG1 3.16Å; L552-F568 HydrophobicContact CD2-CD1 4.16Å; L552-F568 HydrophobicContact CD2-CE1 3.96Å; L552-V571 HydrophobicContact CD1-CG1 4.3Å; L552-V571 HydrophobicContact CD2-CB 4.36Å; L552-V571 HydrophobicContact CD2-CG1 4.18Å; L552-V571 HydrophobicContact CD2-CG2 4.29Å; L552-V571 HydrophobicContact CG-CG1 4.28Å; L552-V571 HydrophobicContact CG-CG2 4.32Å; L552-E580 HydrophobicContact CD1-CG 3.84Å; L552-A581 HydrophobicContact CD2-CB 4.5Å; L552-V584 HydrophobicContact CB-CG1 4.41Å; L552-V584 HydrophobicContact CD1-CG2 4.16Å; L552-V584 HydrophobicContact CD2-CB 4.38Å; L552-V584 HydrophobicContact CD2-CG1 4.29Å
553	K	97	Very high	94.9	Very high	119 Å²	119	42.9 Å²	42.9	52%	0.517	21%	0.209	S	C	.	.	H	α-helix	trans	-59.1	-48.4	173.9	-175.8	-175.9	179.3	-169.9	0	111.5	P549 L550 A555 T556 E557	P549-K553 WeakPolarHBondContact O-CB 3.39Å; P549-K553 PolarHBondContact O-N 3.38Å; L550-K553 PolarHBondContact O-N 2.85Å; K553-A555 VanDerWaalsContact C-N 3.28Å; K553-A555 PolarHBondContact O-N 3.42Å; K553-T556 PolarHBondContact O-N 3.28Å; K553-T556 PolarHBondContact O-OG1 3.05Å; K553-E557 WeakPolarHBondContact CE-OE2 3.46Å; K553-E557 WeakPolarHBondContact O-CB 3.48Å; K553-E557 VanDerWaalsContact O-CG 3.3Å; K553-E557 WeakPolarHBondContact O-CG 3.15Å; K553-E557 PolarHBondContact O-N 3.21Å
554	M	96.8	Very high	94.8	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-36.3	177.3	-175.2	176.6	-179.5	0	0	111.9	S529 R532 F533 L536 L550 A551 T556 Q558 F563 L567	S529-M554 WeakPolarHBondContact O-CE 3.21Å; R532-M554 HydrophobicContact CB-CE 4.42Å; R532-M554 HydrophobicContact CB-SD 4.14Å; R532-M554 HydrophobicContact CG-SD 3.68Å; F533-M554 HydrophobicContact CB-CE 3.79Å; F533-M554 HydrophobicContact CB-SD 4.37Å; L536-M554 HydrophobicContact CD1-CB 3.99Å; L536-M554 HydrophobicContact CD1-SD 3.82Å; L550-M554 PolarHBondContact O-N 3.1Å; A551-M554 PolarHBondContact O-N 3.28Å; M554-T556 PolarHBondContact O-N 3.17Å; M554-Q558 WeakPolarHBondContact O-CG 3.23Å; M554-Q558 PolarHBondContact O-NE2 2.91Å; M554-F563 HydrophobicContact CE-CB 4.31Å; M554-F563 HydrophobicContact CE-CD2 4.13Å; M554-F563 HydrophobicContact CE-CG 4.14Å; M554-L567 HydrophobicContact CB-CD1 3.97Å; M554-L567 HydrophobicContact CG-CD1 3.84Å; M554-L567 HydrophobicContact SD-CD1 3.97Å
555	A	95.9	Very high	94.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-67.5	-23.2	178.7	0	0	0	0	0	113.5	A551 L552 K553 T564 L567 F568	A551-A555 WeakPolarHBondContact O-CB 3.35Å; A551-A555 PolarHBondContact O-N 3.05Å; L552-A555 PolarHBondContact O-N 3.29Å; K553-A555 VanDerWaalsContact C-N 3.28Å; K553-A555 PolarHBondContact O-N 3.42Å; A555-T564 VanDerWaalsContact O-CG2 3.26Å; A555-T564 WeakPolarHBondContact O-CG2 3.46Å; A555-T564 PolarHBondContact O-OG1 2.92Å; A555-L567 HydrophobicContact CB-CB 3.96Å; A555-L567 HydrophobicContact CB-CD1 4.32Å; A555-F568 HydrophobicContact CB-CD2 3.96Å; A555-F568 HydrophobicContact CB-CE2 3.83Å; A555-F568 HydrophobicContact CB-CG 4.49Å; A555-F568 HydrophobicContact CB-CZ 4.26Å
556	T	93.4	Very high	94.4	Very high	40 Å²	40	36.5 Å²	36.5	25%	0.245	18%	0.179	C	C	.	.	H	α-helix	trans	-111.8	-20.3	-177.1	61.4	0	0	0	0	115.2	L552 K553 M554 Q558 F568 V584 H588	L552-T556 PolarHBondContact O-N 2.91Å; L552-T556 VanDerWaalsContact O-N 3.13Å; L552-T556 PolarHBondContact O-OG1 3.16Å; K553-T556 PolarHBondContact O-N 3.28Å; K553-T556 PolarHBondContact O-OG1 3.05Å; M554-T556 PolarHBondContact O-N 3.17Å; T556-Q558 PolarHBondContact O-N 3.04Å; T556-F568 HydrophobicContact CG2-CE2 4.4Å; T556-F568 HydrophobicContact CG2-CZ 3.82Å; T556-V584 HydrophobicContact CG2-CG1 3.74Å; T556-H588 HydrophobicContact CG2-CB 4.11Å
557	E	90.6	Very high	94.5	Very high	89 Å²	89	30.7 Å²	30.7	42%	0.416	15%	0.152	S	C	.	.	H	α-helix	trans	-77.7	-11.8	176.8	76.9	-168	162.6	0	0	113.3	P260 K553	P260-E557 WeakPolarHBondContact CB-O 3.34Å; K553-E557 WeakPolarHBondContact CE-OE2 3.46Å; K553-E557 WeakPolarHBondContact O-CB 3.48Å; K553-E557 VanDerWaalsContact O-CG 3.3Å; K553-E557 WeakPolarHBondContact O-CG 3.15Å; K553-E557 PolarHBondContact O-N 3.21Å
558	Q	89.4	Confident	94.5	Very high	18 Å²	18	30.7 Å²	30.7	8%	0.084	15%	0.152	C	C	.	.			trans	-144.5	163.7	172.8	60.5	70.6	54	0	0	110.5	P260 T278 M554 T556 T564	P260-Q558 HydrophobicContact CB-CB 4.34Å; P260-Q558 CarbonylContact O-C 3.53Å; P260-Q558 WeakPolarHBondContact O-CA 3.21Å; T278-Q558 HydrophobicContact CG2-CB 3.93Å; T278-Q558 HydrophobicContact CG2-CG 3.88Å; M554-Q558 WeakPolarHBondContact O-CG 3.23Å; M554-Q558 PolarHBondContact O-NE2 2.91Å; T556-Q558 PolarHBondContact O-N 3.04Å; Q558-T564 PolarHBondContact NE2-OG1 3.11Å; Q558-T564 PolarHBondContact O-OG1 3.33Å
559	G	85.1	Confident	94.4	Very high	5 Å²	5	34.4 Å²	34.4	5%	0.052	17%	0.166	C	C	.	.			trans	-117.4	3.8	-171.2	0	0	0	0	0	115.5	P260 P263 M561 T596	P260-G559 PolarHBondContact O-N 3.39Å; P263-G559 WeakPolarHBondContact CA-O 3.33Å; G559-M561 PolarHBondContact O-N 3.36Å; G559-M561 VanDerWaalsContact O-N 3.16Å; G559-T596 PolarHBondContact O-OG1 3.05Å
560	R	91.2	Very high	94.2	Very high	22 Å²	22	31.9 Å²	31.9	8%	0.083	15%	0.147	C	C	.	.			trans	-63.4	116.3	-178.9	-169.5	-178	-176	-162.1	0.2	109.3	P263 E530 K562 F563 T564	P263-R560 WeakPolarHBondContact O-CA 3.26Å; E530-R560 IonicContact OE1-NH1 3.77Å; E530-R560 PolarHBondContact OE1-NH1 3.08Å; R560-K562 HydrophobicContact CG-CB 4.2Å; R560-K562 PolarHBondContact O-N 3.33Å; R560-K562 VanDerWaalsContact O-N 3.09Å; R560-F563 HydrophobicContact CB-CD2 4.12Å; R560-F563 HydrophobicContact CG-CD2 4.46Å; R560-F563 VanDerWaalsContact NH1-CZ 3.3Å; R560-F563 PolarHBondContact O-N 3.43Å; R560-T564 PolarHBondContact O-N 2.68Å; R560-T564 PolarHBondContact O-OG1 3.38Å
561	M	89.4	Confident	94.2	Very high	30 Å²	30	29.5 Å²	29.5	15%	0.148	13%	0.134	C	C	.	.	H	α-helix	trans	-60.2	-29.7	-172.1	-69.6	-170.3	-67.5	0	0	113.3	P263 Y264 G559 F563 R565 P566 V595 T596 L599	P263-M561 HydrophobicContact CB-CE 4.21Å; P263-M561 HydrophobicContact CB-CG 4.04Å; P263-M561 HydrophobicContact CB-SD 4.46Å; P263-M561 PolarHBondContact O-N 3.09Å; Y264-M561 HydrophobicContact CD1-CE 4.21Å; Y264-M561 HydrophobicContact CE1-CE 3.64Å; G559-M561 PolarHBondContact O-N 3.36Å; G559-M561 VanDerWaalsContact O-N 3.16Å; M561-F563 PolarHBondContact O-N 3.1Å; M561-R565 HydrophobicContact CB-CG 4.37Å; M561-R565 PolarHBondContact O-N 3.45Å; M561-P566 WeakPolarHBondContact O-CD 3.24Å; M561-V595 HydrophobicContact CE-CG1 4.3Å; M561-V595 HydrophobicContact SD-CG1 3.98Å; M561-T596 HydrophobicContact CG-CG2 3.99Å; M561-T596 WeakPolarHBondContact CG-OG1 3.42Å; M561-L599 HydrophobicContact SD-CD1 3.62Å
562	K	89.8	Confident	94.2	Very high	81 Å²	81	30.4 Å²	30.4	35%	0.352	14%	0.138	S	C	.	.	H	α-helix	trans	-52.9	-35.1	172.9	-174.7	-179.3	-178.1	-178.6	0	112.5	E530 F533 R560 P566	E530-K562 VanDerWaalsContact CD-NZ 3.28Å; E530-K562 WeakPolarHBondContact OE1-CE 3.2Å; E530-K562 IonicContact OE1-NZ 3.63Å; E530-K562 PolarHBondContact OE1-NZ 3.39Å; E530-K562 WeakPolarHBondContact OE2-CE 3.49Å; E530-K562 IonicContact OE2-NZ 2.77Å; E530-K562 PolarHBondContact OE2-NZ 2.83Å; F533-K562 VanDerWaalsContact CZ-O 3.31Å; F533-K562 WeakPolarHBondContact CZ-O 3.32Å; R560-K562 HydrophobicContact CG-CB 4.2Å; R560-K562 PolarHBondContact O-N 3.33Å; R560-K562 VanDerWaalsContact O-N 3.09Å; K562-P566 WeakPolarHBondContact O-CD 3.29Å; K562-P566 WeakPolarHBondContact O-CG 3.27Å
563	F	94.5	Very high	94.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-101.5	-49.7	-178.3	-54.4	-36.8	0	0	0	112	T278 E530 F533 M554 R560 M561 R565 P566 L567	T278-F563 HydrophobicContact CG2-CD2 4.32Å; T278-F563 HydrophobicContact CG2-CE2 4.19Å; E530-F563 HydrophobicContact CG-CZ 4.21Å; E530-F563 WeakPolarHBondContact OE1-CZ 3.36Å; F533-F563 HydrophobicContact CB-CD1 3.67Å; F533-F563 HydrophobicContact CB-CE1 3.93Å; F533-F563 HydrophobicContact CB-CG 4.35Å; F533-F563 AromaticContact CD1-CD1 3.71Å; F533-F563 HydrophobicContact CD1-CD1 3.71Å; F533-F563 AromaticContact CD1-CE1 3.93Å; F533-F563 HydrophobicContact CD1-CE1 3.93Å; F533-F563 HydrophobicContact CD2-CB 4Å; F533-F563 AromaticContact CD2-CD1 3.66Å; F533-F563 HydrophobicContact CD2-CD1 3.66Å; F533-F563 HydrophobicContact CD2-CG 4.22Å; F533-F563 HydrophobicContact CE1-CD1 4.21Å; F533-F563 HydrophobicContact CE2-CB 4.39Å; F533-F563 HydrophobicContact CE2-CD1 4.15Å; F533-F563 AromaticContact CG-CD1 3.39Å; F533-F563 HydrophobicContact CG-CD1 3.39Å; F533-F563 AromaticContact CG-CE1 3.91Å; F533-F563 HydrophobicContact CG-CE1 3.91Å; F533-F563 HydrophobicContact CG-CG 4.27Å; F533-F563 HydrophobicContact CZ-CD1 4.4Å; M554-F563 HydrophobicContact CE-CB 4.31Å; M554-F563 HydrophobicContact CE-CD2 4.13Å; M554-F563 HydrophobicContact CE-CG 4.14Å; R560-F563 HydrophobicContact CB-CD2 4.12Å; R560-F563 HydrophobicContact CG-CD2 4.46Å; R560-F563 VanDerWaalsContact NH1-CZ 3.3Å; R560-F563 PolarHBondContact O-N 3.43Å; M561-F563 PolarHBondContact O-N 3.1Å; F563-R565 PolarHBondContact O-N 2.78Å; F563-P566 WeakPolarHBondContact O-CD 3.44Å; F563-L567 WeakPolarHBondContact O-CB 3.25Å; F563-L567 WeakPolarHBondContact O-CD1 3.5Å; F563-L567 VanDerWaalsContact O-CG 3.23Å; F563-L567 WeakPolarHBondContact O-CG 3.41Å; F563-L567 PolarHBondContact O-N 3.01Å; F563-L567 VanDerWaalsContact O-N 3.14Å
564	T	95.1	Very high	94.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-47.6	-173	-62.9	0	0	0	0	112.5	A555 Q558 R560 F568 M592 T596 V600	A555-T564 VanDerWaalsContact O-CG2 3.26Å; A555-T564 WeakPolarHBondContact O-CG2 3.46Å; A555-T564 PolarHBondContact O-OG1 2.92Å; Q558-T564 PolarHBondContact NE2-OG1 3.11Å; Q558-T564 PolarHBondContact O-OG1 3.33Å; R560-T564 PolarHBondContact O-N 2.68Å; R560-T564 PolarHBondContact O-OG1 3.38Å; T564-F568 HydrophobicContact CG2-CD2 3.74Å; T564-F568 HydrophobicContact CG2-CE2 3.81Å; T564-F568 WeakPolarHBondContact O-CD2 3.43Å; T564-F568 PolarHBondContact O-N 3.11Å; T564-F568 VanDerWaalsContact O-N 3.1Å; T564-M592 HydrophobicContact CG2-CE 3.67Å; T564-T596 HydrophobicContact CG2-CG2 3.98Å; T564-V600 HydrophobicContact CG2-CG2 4.08Å
565	R	94.3	Very high	94.1	Very high	68 Å²	68	37 Å²	37	26%	0.257	17%	0.174	S	C	.	.	H	α-helix	trans	-65.7	-51.1	-176.2	-64.7	177.6	60.6	-164	-1.3	112.4	M561 F563 L567 F568 R569 V600 D603	M561-R565 HydrophobicContact CB-CG 4.37Å; M561-R565 PolarHBondContact O-N 3.45Å; F563-R565 PolarHBondContact O-N 2.78Å; R565-L567 PolarHBondContact O-N 3.06Å; R565-F568 PolarHBondContact O-N 3.37Å; R565-R569 WeakPolarHBondContact O-CB 3.26Å; R565-R569 PolarHBondContact O-N 3.09Å; R565-V600 HydrophobicContact CG-CG2 3.83Å; R565-D603 IonicContact CZ-OD2 3.91Å; R565-D603 IonicContact NE-OD2 2.72Å; R565-D603 PolarHBondContact NE-OD2 2.91Å; R565-D603 IonicContact NH2-OD1 3.78Å; R565-D603 PolarHBondContact NH2-OD1 3.37Å; R565-D603 VanDerWaalsContact NH2-OD1 3.16Å; R565-D603 IonicContact NH2-OD2 3.87Å; R565-D603 PolarHBondContact NH2-OD2 2.92Å
566	P	94.1	Very high	94.1	Very high	23 Å²	23	43.1 Å²	43.1	15%	0.149	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-38	179.9	-23	36.6	0	0	0	112.4	F533 M561 K562 F563 R569 E570	F533-P566 HydrophobicContact CE2-CB 3.93Å; F533-P566 HydrophobicContact CE2-CG 4.21Å; F533-P566 HydrophobicContact CZ-CB 3.94Å; F533-P566 HydrophobicContact CZ-CG 4.01Å; M561-P566 WeakPolarHBondContact O-CD 3.24Å; K562-P566 WeakPolarHBondContact O-CD 3.29Å; K562-P566 WeakPolarHBondContact O-CG 3.27Å; F563-P566 WeakPolarHBondContact O-CD 3.44Å; P566-R569 WeakPolarHBondContact O-CB 3.1Å; P566-R569 PolarHBondContact O-N 3.16Å; P566-E570 WeakPolarHBondContact O-CG 3.28Å; P566-E570 PolarHBondContact O-N 3.08Å
567	L	97.9	Very high	94.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-46	177.9	-72.4	170.3	0	0	0	112.1	F533 L536 R537 A551 M554 A555 F563 R565 R569 E570 V571	F533-L567 HydrophobicContact CD2-CD1 4.17Å; F533-L567 HydrophobicContact CD2-CD2 4.23Å; F533-L567 HydrophobicContact CD2-CG 3.94Å; F533-L567 HydrophobicContact CE2-CG 4.13Å; L536-L567 HydrophobicContact CB-CD2 4Å; R537-L567 HydrophobicContact CG-CD2 3.86Å; A551-L567 HydrophobicContact CB-CD2 4.15Å; M554-L567 HydrophobicContact CB-CD1 3.97Å; M554-L567 HydrophobicContact CG-CD1 3.84Å; M554-L567 HydrophobicContact SD-CD1 3.97Å; A555-L567 HydrophobicContact CB-CB 3.96Å; A555-L567 HydrophobicContact CB-CD1 4.32Å; F563-L567 WeakPolarHBondContact O-CB 3.25Å; F563-L567 WeakPolarHBondContact O-CD1 3.5Å; F563-L567 VanDerWaalsContact O-CG 3.23Å; F563-L567 WeakPolarHBondContact O-CG 3.41Å; F563-L567 PolarHBondContact O-N 3.01Å; F563-L567 VanDerWaalsContact O-N 3.14Å; R565-L567 PolarHBondContact O-N 3.06Å; L567-R569 VanDerWaalsContact C-N 3.3Å; L567-R569 PolarHBondContact O-N 3.2Å; L567-E570 PolarHBondContact O-N 2.88Å; L567-V571 WeakPolarHBondContact O-CG2 3.34Å; L567-V571 PolarHBondContact O-N 3.33Å; L567-V571 VanDerWaalsContact O-N 3.12Å
568	F	98.1	Very high	94.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59	-42.6	173.3	-90.4	-61.5	0	0	0	111.9	L552 A555 T556 T564 R565 V571 F572 V584 F585 M592 V600 L604	L552-F568 HydrophobicContact CD2-CD1 4.16Å; L552-F568 HydrophobicContact CD2-CE1 3.96Å; A555-F568 HydrophobicContact CB-CD2 3.96Å; A555-F568 HydrophobicContact CB-CE2 3.83Å; A555-F568 HydrophobicContact CB-CG 4.49Å; A555-F568 HydrophobicContact CB-CZ 4.26Å; T556-F568 HydrophobicContact CG2-CE2 4.4Å; T556-F568 HydrophobicContact CG2-CZ 3.82Å; T564-F568 HydrophobicContact CG2-CD2 3.74Å; T564-F568 HydrophobicContact CG2-CE2 3.81Å; T564-F568 WeakPolarHBondContact O-CD2 3.43Å; T564-F568 PolarHBondContact O-N 3.11Å; T564-F568 VanDerWaalsContact O-N 3.1Å; R565-F568 PolarHBondContact O-N 3.37Å; F568-V571 PolarHBondContact O-N 3.28Å; F568-F572 WeakPolarHBondContact O-CB 3.14Å; F568-F572 PolarHBondContact O-N 3.45Å; F568-V584 HydrophobicContact CE1-CG1 4.35Å; F568-V584 HydrophobicContact CZ-CG1 4.46Å; F568-F585 HydrophobicContact CD1-CB 4.34Å; F568-F585 HydrophobicContact CE1-CB 3.76Å; F568-F585 HydrophobicContact CZ-CB 4.01Å; F568-M592 HydrophobicContact CE2-CE 4.34Å; F568-V600 HydrophobicContact CB-CG1 4.11Å; F568-V600 HydrophobicContact CD2-CG1 3.63Å; F568-V600 HydrophobicContact CD2-CG2 4.18Å; F568-V600 HydrophobicContact CE2-CG1 4.16Å; F568-V600 HydrophobicContact CG-CG1 3.85Å; F568-L604 HydrophobicContact CB-CD1 4.46Å; F568-L604 HydrophobicContact CB-CD2 4.14Å; F568-L604 HydrophobicContact CD1-CD1 4.02Å; F568-L604 HydrophobicContact CG-CD1 4.35Å
569	R	96.1	Very high	95.1	Very high	81 Å²	81	51.5 Å²	51.5	31%	0.306	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-44.1	178	-170	-174.3	-62	152.9	0.3	112.6	R565 P566 L567 F572 N573 D603	R565-R569 WeakPolarHBondContact O-CB 3.26Å; R565-R569 PolarHBondContact O-N 3.09Å; P566-R569 WeakPolarHBondContact O-CB 3.1Å; P566-R569 PolarHBondContact O-N 3.16Å; L567-R569 VanDerWaalsContact C-N 3.3Å; L567-R569 PolarHBondContact O-N 3.2Å; R569-F572 PolarHBondContact O-N 3.33Å; R569-N573 WeakPolarHBondContact O-CB 3.42Å; R569-N573 PolarHBondContact O-N 3.12Å; R569-N573 PolarHBondContact O-ND2 2.68Å; R569-D603 IonicContact CZ-OD1 3.3Å; R569-D603 IonicContact NE-OD1 2.77Å; R569-D603 IonicContact NH2-OD1 2.74Å; R569-D603 PolarHBondContact NH2-OD1 2.8Å; R569-D603 IonicContact NH2-OD2 2.85Å
570	E	95.6	Very high	95.7	Very high	25 Å²	25	54.4 Å²	54.4	12%	0.117	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-47.6	177.9	-65.4	-56.2	173.5	0	0	110.9	R537 V540 R541 P566 L567 F572 N573 F574	R537-E570 HydrophobicContact CB-CG 4.21Å; R537-E570 HydrophobicContact CG-CG 3.9Å; R537-E570 IonicContact CZ-OE1 2.69Å; R537-E570 VanDerWaalsContact CZ-OE1 3.29Å; R537-E570 IonicContact NE-OE1 3.91Å; R537-E570 PolarHBondContact NE-OE1 3.16Å; R537-E570 IonicContact NH2-OE1 3.4Å; R537-E570 PolarHBondContact NH2-OE1 3.33Å; V540-E570 HydrophobicContact CB-CB 4.27Å; V540-E570 HydrophobicContact CG1-CB 3.81Å; R541-E570 HydrophobicContact CG-CG 4.48Å; R541-E570 WeakPolarHBondContact CG-OE2 3.34Å; P566-E570 WeakPolarHBondContact O-CG 3.28Å; P566-E570 PolarHBondContact O-N 3.08Å; L567-E570 PolarHBondContact O-N 2.88Å; E570-F572 VanDerWaalsContact C-N 3.34Å; E570-F572 PolarHBondContact O-N 2.9Å; E570-N573 PolarHBondContact O-N 3.22Å; E570-F574 PolarHBondContact O-N 2.86Å; E570-F574 VanDerWaalsContact O-N 3.11Å
571	V	98.2	Very high	96	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-38.1	179.8	-176.6	0	0	0	0	111.1	V540 V548 A551 L552 L567 F568 N573 F574 A581	V540-V571 HydrophobicContact CG1-CG2 4.14Å; V540-V571 HydrophobicContact CG2-CG2 4.28Å; V548-V571 HydrophobicContact CG1-CG1 3.72Å; V548-V571 HydrophobicContact CG1-CG2 4.49Å; A551-V571 HydrophobicContact CB-CG2 4.01Å; L552-V571 HydrophobicContact CD1-CG1 4.3Å; L552-V571 HydrophobicContact CD2-CB 4.36Å; L552-V571 HydrophobicContact CD2-CG1 4.18Å; L552-V571 HydrophobicContact CD2-CG2 4.29Å; L552-V571 HydrophobicContact CG-CG1 4.28Å; L552-V571 HydrophobicContact CG-CG2 4.32Å; L567-V571 WeakPolarHBondContact O-CG2 3.34Å; L567-V571 PolarHBondContact O-N 3.33Å; L567-V571 VanDerWaalsContact O-N 3.12Å; F568-V571 PolarHBondContact O-N 3.28Å; V571-N573 VanDerWaalsContact C-N 3.31Å; V571-N573 PolarHBondContact O-N 3.4Å; V571-F574 WeakPolarHBondContact O-CB 3.44Å; V571-F574 PolarHBondContact O-N 3.26Å; V571-A581 HydrophobicContact CB-CB 4.2Å; V571-A581 HydrophobicContact CG1-CB 3.94Å
572	F	97.8	Very high	96.4	Very high	19 Å²	19	53.6 Å²	53.6	8%	0.083	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-35.9	175.9	-178.5	-93.5	0	0	0	113.4	F568 R569 E570 F574 R578 A581 V582 L604	F568-F572 WeakPolarHBondContact O-CB 3.14Å; F568-F572 PolarHBondContact O-N 3.45Å; R569-F572 PolarHBondContact O-N 3.33Å; E570-F572 VanDerWaalsContact C-N 3.34Å; E570-F572 PolarHBondContact O-N 2.9Å; F572-F574 VanDerWaalsContact C-N 3.3Å; F572-R578 HydrophobicContact CD2-CG 3.52Å; F572-R578 HydrophobicContact CE1-CG 4.49Å; F572-R578 HydrophobicContact CE2-CG 3.46Å; F572-R578 VanDerWaalsContact CE2-CG 3.46Å; F572-R578 HydrophobicContact CG-CG 4.1Å; F572-R578 HydrophobicContact CZ-CG 3.98Å; F572-R578 WeakPolarHBondContact O-CG 3.29Å; F572-R578 PolarHBondContact O-NE 3.08Å; F572-A581 HydrophobicContact CB-CB 4.27Å; F572-V582 HydrophobicContact CD2-CG2 4.04Å; F572-V582 HydrophobicContact CE2-CG2 3.91Å; F572-L604 HydrophobicContact CB-CD2 3.47Å; F572-L604 VanDerWaalsContact CB-CD2 3.47Å; F572-L604 HydrophobicContact CD2-CB 4.35Å; F572-L604 HydrophobicContact CD2-CD2 3.6Å; F572-L604 HydrophobicContact CE2-CB 4.49Å; F572-L604 WeakPolarHBondContact CE2-O 3.49Å; F572-L604 HydrophobicContact CG-CD2 3.65Å; F572-L604 WeakPolarHBondContact CZ-O 3.41Å
573	N	96.3	Very high	96.8	Very high	97 Å²	97	56.5 Å²	56.5	52%	0.519	25%	0.25	S	S	.	.	H	α-helix	trans	-74.8	-20.8	176.3	-72.5	-20.1	0	0	0	112.5	R569 E570 V571 E575	R569-N573 WeakPolarHBondContact O-CB 3.42Å; R569-N573 PolarHBondContact O-N 3.12Å; R569-N573 PolarHBondContact O-ND2 2.68Å; E570-N573 PolarHBondContact O-N 3.22Å; V571-N573 VanDerWaalsContact C-N 3.31Å; V571-N573 PolarHBondContact O-N 3.4Å; N573-E575 PolarHBondContact O-N 3.48Å; N573-E575 VanDerWaalsContact O-N 3.12Å
574	F	96.9	Very high	97	Very high	22 Å²	22	57.2 Å²	57.2	10%	0.096	25%	0.254	C	S	.	.	S	Bend	trans	-76.2	96.5	169.3	-167.4	178.4	0	0	0	109.6	V540 Q543 E545 V548 E570 V571 F572 K576 Y577 R578	V540-F574 HydrophobicContact CG1-CB 4.37Å; V540-F574 HydrophobicContact CG1-CD1 4.31Å; Q543-F574 HydrophobicContact CB-CE1 4.22Å; Q543-F574 HydrophobicContact CB-CE2 3.95Å; Q543-F574 HydrophobicContact CB-CZ 3.67Å; Q543-F574 HydrophobicContact CG-CD2 4.34Å; Q543-F574 HydrophobicContact CG-CE2 3.95Å; Q543-F574 HydrophobicContact CG-CZ 4.17Å; E545-F574 HydrophobicContact CG-CE1 4.46Å; E545-F574 HydrophobicContact CG-CZ 4.23Å; V548-F574 HydrophobicContact CG2-CD1 3.97Å; V548-F574 HydrophobicContact CG2-CE1 4.13Å; E570-F574 PolarHBondContact O-N 2.86Å; E570-F574 VanDerWaalsContact O-N 3.11Å; V571-F574 WeakPolarHBondContact O-CB 3.44Å; V571-F574 PolarHBondContact O-N 3.26Å; F572-F574 VanDerWaalsContact C-N 3.3Å; F574-K576 VanDerWaalsContact C-N 3.25Å; F574-K576 HydrophobicContact CD2-CB 4.38Å; F574-K576 HydrophobicContact CE2-CB 4.18Å; F574-K576 PolarHBondContact O-N 2.82Å; F574-Y577 AromaticContact CD1-CD2 3.61Å; F574-Y577 HydrophobicContact CD1-CD2 3.61Å; F574-Y577 HydrophobicContact CD1-CE2 4.16Å; F574-Y577 HydrophobicContact CD2-CD2 4.43Å; F574-Y577 AromaticContact CE1-CD2 3.68Å; F574-Y577 HydrophobicContact CE1-CD2 3.68Å; F574-Y577 AromaticContact CE1-CE2 3.73Å; F574-Y577 HydrophobicContact CE1-CE2 3.73Å; F574-Y577 HydrophobicContact CE2-CD2 4.48Å; F574-Y577 HydrophobicContact CG-CD2 4.02Å; F574-Y577 HydrophobicContact CZ-CD2 4.13Å; F574-Y577 HydrophobicContact CZ-CE2 4.02Å; F574-Y577 PolarHBondContact O-N 3.28Å; F574-R578 PolarHBondContact O-N 3.21Å
575	E	95.9	Very high	97.1	Very high	156 Å²	156	57.2 Å²	57.2	73%	0.729	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-44.9	-43.9	-169.4	-172.8	170.7	-164.2	0	0	114.5	N573 Y577 R578	N573-E575 PolarHBondContact O-N 3.48Å; N573-E575 VanDerWaalsContact O-N 3.12Å; E575-Y577 PolarHBondContact O-N 3.14Å; E575-R578 PolarHBondContact O-N 3.46Å
576	K	97.4	Very high	97.1	Very high	128 Å²	128	57 Å²	57	56%	0.557	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-58.4	-30	178	-175	177.8	-176.3	-175.7	0	114.1	E545 F574	E545-K576 IonicContact OE1-NZ 3.52Å; E545-K576 PolarHBondContact OE1-NZ 3.42Å; E545-K576 IonicContact OE2-NZ 2.74Å; E545-K576 PolarHBondContact OE2-NZ 3.19Å; F574-K576 VanDerWaalsContact C-N 3.25Å; F574-K576 HydrophobicContact CD2-CB 4.38Å; F574-K576 HydrophobicContact CE2-CB 4.18Å; F574-K576 PolarHBondContact O-N 2.82Å
577	Y	98.1	Very high	97.2	Very high	46 Å²	46	59.3 Å²	59.3	18%	0.18	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-113.7	10.1	-173.8	-66.4	-81.8	0	0	0	113.7	E545 V548 F574 E575 E579 E580 A581	E545-Y577 HydrophobicContact CB-CE2 4.25Å; E545-Y577 WeakPolarHBondContact CB-OH 3.21Å; E545-Y577 HydrophobicContact CG-CE2 3.99Å; E545-Y577 PolarHBondContact OE2-OH 2.84Å; E545-Y577 VanDerWaalsContact OE2-OH 3.1Å; V548-Y577 HydrophobicContact CB-CD1 4.28Å; V548-Y577 HydrophobicContact CB-CE1 4.36Å; V548-Y577 HydrophobicContact CB-CG 4.35Å; V548-Y577 HydrophobicContact CG1-CD1 3.66Å; V548-Y577 HydrophobicContact CG1-CD2 4.44Å; V548-Y577 HydrophobicContact CG1-CE1 4.15Å; V548-Y577 HydrophobicContact CG1-CG 3.81Å; V548-Y577 HydrophobicContact CG2-CD1 4.34Å; V548-Y577 HydrophobicContact CG2-CD2 3.73Å; V548-Y577 HydrophobicContact CG2-CE1 4.48Å; V548-Y577 HydrophobicContact CG2-CE2 3.9Å; V548-Y577 HydrophobicContact CG2-CG 3.96Å; F574-Y577 AromaticContact CD1-CD2 3.61Å; F574-Y577 HydrophobicContact CD1-CD2 3.61Å; F574-Y577 HydrophobicContact CD1-CE2 4.16Å; F574-Y577 HydrophobicContact CD2-CD2 4.43Å; F574-Y577 AromaticContact CE1-CD2 3.68Å; F574-Y577 HydrophobicContact CE1-CD2 3.68Å; F574-Y577 AromaticContact CE1-CE2 3.73Å; F574-Y577 HydrophobicContact CE1-CE2 3.73Å; F574-Y577 HydrophobicContact CE2-CD2 4.48Å; F574-Y577 HydrophobicContact CG-CD2 4.02Å; F574-Y577 HydrophobicContact CZ-CD2 4.13Å; F574-Y577 HydrophobicContact CZ-CE2 4.02Å; F574-Y577 PolarHBondContact O-N 3.28Å; E575-Y577 PolarHBondContact O-N 3.14Å; Y577-E579 PolarHBondContact O-N 3.43Å; Y577-E580 HydrophobicContact CD1-CB 4.46Å; Y577-E580 WeakPolarHBondContact O-CB 3.22Å; Y577-E580 PolarHBondContact O-N 3.31Å; Y577-E580 VanDerWaalsContact O-N 3.16Å; Y577-A581 PolarHBondContact O-N 3.45Å
578	R	97.4	Very high	96.9	Very high	107 Å²	107	62.7 Å²	62.7	40%	0.404	30%	0.295	S	S	.	.	H	α-helix	trans	-56.6	-48.9	-179.1	-175.2	177.9	-65.9	166.9	7.1	112.7	F572 F574 E575 E580 A581 V582	F572-R578 HydrophobicContact CD2-CG 3.52Å; F572-R578 HydrophobicContact CE1-CG 4.49Å; F572-R578 HydrophobicContact CE2-CG 3.46Å; F572-R578 VanDerWaalsContact CE2-CG 3.46Å; F572-R578 HydrophobicContact CG-CG 4.1Å; F572-R578 HydrophobicContact CZ-CG 3.98Å; F572-R578 WeakPolarHBondContact O-CG 3.29Å; F572-R578 PolarHBondContact O-NE 3.08Å; F574-R578 PolarHBondContact O-N 3.21Å; E575-R578 PolarHBondContact O-N 3.46Å; R578-E580 VanDerWaalsContact C-N 3.3Å; R578-E580 PolarHBondContact O-N 2.91Å; R578-A581 PolarHBondContact O-N 2.77Å; R578-V582 PolarHBondContact O-N 3.49Å
579	E	97.6	Very high	96.4	Very high	170 Å²	170	65 Å²	65	79%	0.794	30%	0.303	S	S	*	.	H	α-helix	trans	-66.4	-34.7	179.5	-65	-173.3	169	0	0	111.8	Y577 V582 R583	Y577-E579 PolarHBondContact O-N 3.43Å; E579-V582 PolarHBondContact O-N 2.92Å; E579-R583 WeakPolarHBondContact O-CB 3.49Å; E579-R583 PolarHBondContact O-N 2.93Å
580	E	98	Very high	95.7	Very high	66 Å²	66	66 Å²	66	31%	0.308	33%	0.329	S	S	.	.	H	α-helix	trans	-66.6	-41.2	177.4	-178.2	62.1	-171.6	0	0	111.6	L552 Y577 R578 V582 R583 V584	L552-E580 HydrophobicContact CD1-CG 3.84Å; Y577-E580 HydrophobicContact CD1-CB 4.46Å; Y577-E580 WeakPolarHBondContact O-CB 3.22Å; Y577-E580 PolarHBondContact O-N 3.31Å; Y577-E580 VanDerWaalsContact O-N 3.16Å; R578-E580 VanDerWaalsContact C-N 3.3Å; R578-E580 PolarHBondContact O-N 2.91Å; E580-V582 VanDerWaalsContact C-N 3.33Å; E580-V582 PolarHBondContact O-N 2.85Å; E580-R583 VanDerWaalsContact CD-NH2 3.28Å; E580-R583 PolarHBondContact O-N 3.39Å; E580-R583 IonicContact OE1-CZ 3.24Å; E580-R583 IonicContact OE1-NE 3.35Å; E580-R583 IonicContact OE1-NH2 2.73Å; E580-R583 PolarHBondContact OE1-NH2 3.41Å; E580-R583 IonicContact OE2-CZ 2.87Å; E580-R583 IonicContact OE2-NE 3.82Å; E580-R583 PolarHBondContact OE2-NE 3.01Å; E580-R583 IonicContact OE2-NH2 2.96Å; E580-R583 PolarHBondContact OE2-NH2 2.9Å; E580-R583 VanDerWaalsContact OE2-NH2 3.13Å; E580-V584 HydrophobicContact CG-CG2 4.46Å; E580-V584 WeakPolarHBondContact O-CB 3.2Å; E580-V584 WeakPolarHBondContact O-CG2 3.3Å; E580-V584 PolarHBondContact O-N 3.39Å
581	A	97.9	Very high	95	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-58.2	-45.2	173.5	0	0	0	0	0	111.8	L552 V571 F572 Y577 R578 F585	L552-A581 HydrophobicContact CD2-CB 4.5Å; V571-A581 HydrophobicContact CB-CB 4.2Å; V571-A581 HydrophobicContact CG1-CB 3.94Å; F572-A581 HydrophobicContact CB-CB 4.27Å; Y577-A581 PolarHBondContact O-N 3.45Å; R578-A581 PolarHBondContact O-N 2.77Å; A581-F585 WeakPolarHBondContact O-CB 3.34Å; A581-F585 PolarHBondContact O-N 2.7Å
582	V	98.1	Very high	94.2	Very high	35 Å²	35	68 Å²	68	21%	0.212	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-46.8	176.9	173.4	0	0	0	0	111.1	F572 R578 E579 E580 V584 F585 L586 V606	F572-V582 HydrophobicContact CD2-CG2 4.04Å; F572-V582 HydrophobicContact CE2-CG2 3.91Å; R578-V582 PolarHBondContact O-N 3.49Å; E579-V582 PolarHBondContact O-N 2.92Å; E580-V582 VanDerWaalsContact C-N 3.33Å; E580-V582 PolarHBondContact O-N 2.85Å; V582-V584 PolarHBondContact O-N 3.08Å; V582-F585 PolarHBondContact O-N 3.31Å; V582-L586 HydrophobicContact CG1-CD1 3.96Å; V582-L586 HydrophobicContact CG1-CG 4.41Å; V582-L586 WeakPolarHBondContact O-CG 3.37Å; V582-L586 PolarHBondContact O-N 3.14Å; V582-V606 HydrophobicContact CG1-CG2 3.81Å; V582-V606 HydrophobicContact CG2-CG2 4.12Å
583	R	98.1	Very high	93.4	Very high	143 Å²	143	67.6 Å²	67.6	54%	0.54	35%	0.345	S	S	.	.	H	α-helix	trans	-60	-46.4	179.7	-170.7	-171.3	71.5	79.3	-0	111.7	E579 E580 L586 A587	E579-R583 WeakPolarHBondContact O-CB 3.49Å; E579-R583 PolarHBondContact O-N 2.93Å; E580-R583 VanDerWaalsContact CD-NH2 3.28Å; E580-R583 PolarHBondContact O-N 3.39Å; E580-R583 IonicContact OE1-CZ 3.24Å; E580-R583 IonicContact OE1-NE 3.35Å; E580-R583 IonicContact OE1-NH2 2.73Å; E580-R583 PolarHBondContact OE1-NH2 3.41Å; E580-R583 IonicContact OE2-CZ 2.87Å; E580-R583 IonicContact OE2-NE 3.82Å; E580-R583 PolarHBondContact OE2-NE 3.01Å; E580-R583 IonicContact OE2-NH2 2.96Å; E580-R583 PolarHBondContact OE2-NH2 2.9Å; E580-R583 VanDerWaalsContact OE2-NH2 3.13Å; R583-L586 PolarHBondContact O-N 3.46Å; R583-A587 WeakPolarHBondContact O-CB 3.44Å; R583-A587 PolarHBondContact O-N 3.38Å
584	V	97.5	Very high	92.5	Very high	14 Å²	14	67.3 Å²	67.3	9%	0.085	35%	0.348	C	S	.	.	H	α-helix	trans	-66.7	-41.9	178.6	169.5	0	0	0	0	111.3	L552 T556 F568 E580 V582 A587 H588	L552-V584 HydrophobicContact CB-CG1 4.41Å; L552-V584 HydrophobicContact CD1-CG2 4.16Å; L552-V584 HydrophobicContact CD2-CB 4.38Å; L552-V584 HydrophobicContact CD2-CG1 4.29Å; T556-V584 HydrophobicContact CG2-CG1 3.74Å; F568-V584 HydrophobicContact CE1-CG1 4.35Å; F568-V584 HydrophobicContact CZ-CG1 4.46Å; E580-V584 HydrophobicContact CG-CG2 4.46Å; E580-V584 WeakPolarHBondContact O-CB 3.2Å; E580-V584 WeakPolarHBondContact O-CG2 3.3Å; E580-V584 PolarHBondContact O-N 3.39Å; V582-V584 PolarHBondContact O-N 3.08Å; V584-A587 PolarHBondContact O-N 2.82Å; V584-H588 PolarHBondContact O-N 3.14Å; V584-H588 PolarHBondContact O-ND1 3.08Å
585	F	97.1	Very high	91.6	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-57.1	-52.5	173.7	166.8	-113.2	0	0	0	111.2	F568 A581 V582 A587 H588 R589 M592 S597 V600 A601 L604 V606	F568-F585 HydrophobicContact CD1-CB 4.34Å; F568-F585 HydrophobicContact CE1-CB 3.76Å; F568-F585 HydrophobicContact CZ-CB 4.01Å; A581-F585 WeakPolarHBondContact O-CB 3.34Å; A581-F585 PolarHBondContact O-N 2.7Å; V582-F585 PolarHBondContact O-N 3.31Å; F585-A587 VanDerWaalsContact C-N 3.28Å; F585-A587 PolarHBondContact O-N 2.95Å; F585-H588 CarbonylContact O-C 3.58Å; F585-H588 PolarHBondContact O-N 2.98Å; F585-R589 HydrophobicContact CE1-CG 4.34Å; F585-R589 HydrophobicContact CE2-CB 4.32Å; F585-R589 HydrophobicContact CE2-CG 4.06Å; F585-R589 HydrophobicContact CZ-CB 4.31Å; F585-R589 HydrophobicContact CZ-CG 3.74Å; F585-R589 WeakPolarHBondContact O-CA 3.44Å; F585-R589 WeakPolarHBondContact O-CB 3.5Å; F585-R589 PolarHBondContact O-N 3.13Å; F585-M592 HydrophobicContact CD2-SD 3.85Å; F585-M592 HydrophobicContact CE2-CE 4.47Å; F585-M592 HydrophobicContact CE2-SD 3.82Å; F585-S597 WeakPolarHBondContact CZ-O 3.36Å; F585-V600 HydrophobicContact CD2-CB 4.07Å; F585-V600 HydrophobicContact CD2-CG1 3.36Å; F585-V600 HydrophobicContact CE2-CB 3.78Å; F585-V600 HydrophobicContact CE2-CG1 3.59Å; F585-V600 HydrophobicContact CG-CG1 3.94Å; F585-V600 HydrophobicContact CZ-CB 4.44Å; F585-V600 HydrophobicContact CZ-CG1 4.33Å; F585-A601 HydrophobicContact CE1-CB 3.87Å; F585-A601 HydrophobicContact CZ-CB 3.76Å; F585-L604 HydrophobicContact CB-CD1 3.54Å; F585-L604 HydrophobicContact CD1-CD1 3.9Å; F585-L604 HydrophobicContact CD2-CD1 4.43Å; F585-L604 HydrophobicContact CG-CD1 3.69Å; F585-V606 HydrophobicContact CD1-CG2 4.44Å; F585-V606 HydrophobicContact CE1-CB 4.45Å; F585-V606 HydrophobicContact CE1-CG1 4.44Å
586	L	96	Very high	91	Very high	64 Å²	64	60.8 Å²	60.8	34%	0.335	32%	0.321	S	S	.	.	H	α-helix	trans	-59.2	-38.8	-179.8	-71.9	174.4	0	0	0	112.3	V582 R583 H588 V606 T611	V582-L586 HydrophobicContact CG1-CD1 3.96Å; V582-L586 HydrophobicContact CG1-CG 4.41Å; V582-L586 WeakPolarHBondContact O-CG 3.37Å; V582-L586 PolarHBondContact O-N 3.14Å; R583-L586 PolarHBondContact O-N 3.46Å; L586-H588 VanDerWaalsContact C-N 3.27Å; L586-H588 PolarHBondContact O-N 3.08Å; L586-V606 HydrophobicContact CD2-CG1 4.02Å; L586-T611 HydrophobicContact CD2-CG2 4.48Å
587	A	94.8	Very high	90.5	Very high	71 Å²	71	55.3 Å²	55.3	59%	0.587	30%	0.299	S	S	*	.	H	α-helix	trans	-65.6	-26.5	177.2	0	0	0	0	0	113.8	R583 V584 F585	R583-A587 WeakPolarHBondContact O-CB 3.44Å; R583-A587 PolarHBondContact O-N 3.38Å; V584-A587 PolarHBondContact O-N 2.82Å; F585-A587 VanDerWaalsContact C-N 3.28Å; F585-A587 PolarHBondContact O-N 2.95Å
588	H	91.5	Very high	89.8	Confident	72 Å²	72	55 Å²	55	33%	0.333	31%	0.309	S	S	.	.	H	α-helix	trans	-108.1	-6.9	-178.7	-64.2	80	0	0	0	113.4	T556 V584 F585 L586 A590 A591 M592	T556-H588 HydrophobicContact CG2-CB 4.11Å; V584-H588 PolarHBondContact O-N 3.14Å; V584-H588 PolarHBondContact O-ND1 3.08Å; F585-H588 CarbonylContact O-C 3.58Å; F585-H588 PolarHBondContact O-N 2.98Å; L586-H588 VanDerWaalsContact C-N 3.27Å; L586-H588 PolarHBondContact O-N 3.08Å; H588-A590 PolarHBondContact O-N 2.83Å; H588-A590 VanDerWaalsContact O-N 3.13Å; H588-A591 WeakPolarHBondContact O-CA 3.23Å; H588-A591 WeakPolarHBondContact O-CB 3.31Å; H588-A591 PolarHBondContact O-N 2.64Å; H588-M592 WeakPolarHBondContact O-CG 3.41Å; H588-M592 PolarHBondContact O-N 2.83Å
589	R	88.6	Confident	89.2	Confident	49 Å²	49	52.3 Å²	52.3	19%	0.185	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-53.2	-40.2	-171.5	-172.1	178.8	179.6	-164.5	-4.4	113.2	F585 A591 M592 S597	F585-R589 HydrophobicContact CE1-CG 4.34Å; F585-R589 HydrophobicContact CE2-CB 4.32Å; F585-R589 HydrophobicContact CE2-CG 4.06Å; F585-R589 HydrophobicContact CZ-CB 4.31Å; F585-R589 HydrophobicContact CZ-CG 3.74Å; F585-R589 WeakPolarHBondContact O-CA 3.44Å; F585-R589 WeakPolarHBondContact O-CB 3.5Å; F585-R589 PolarHBondContact O-N 3.13Å; R589-A591 VanDerWaalsContact C-N 3.28Å; R589-A591 PolarHBondContact O-N 3.3Å; R589-M592 PolarHBondContact O-N 3.49Å; R589-S597 WeakPolarHBondContact CG-OG 3.34Å; R589-S597 PolarHBondContact NE-OG 3.01Å
590	A	81.1	Confident	88.9	Confident	102 Å²	102	44.2 Å²	44.2	84%	0.843	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-68.1	-26.3	178.9	0	0	0	0	0	113.3	H588	H588-A590 PolarHBondContact O-N 2.83Å; H588-A590 VanDerWaalsContact O-N 3.13Å
591	A	80.1	Confident	88.7	Confident	46 Å²	46	41.3 Å²	41.3	38%	0.38	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-87.7	-12.8	179.7	0	0	0	0	0	113.4	Q119 H588 R589	Q119-A591 HydrophobicContact CG-CB 4.45Å; Q119-A591 VanDerWaalsContact NE2-CA 3.33Å; Q119-A591 PolarHBondContact NE2-O 3.42Å; Q119-A591 VanDerWaalsContact NE2-O 3.09Å; H588-A591 WeakPolarHBondContact O-CA 3.23Å; H588-A591 WeakPolarHBondContact O-CB 3.31Å; H588-A591 PolarHBondContact O-N 2.64Å; R589-A591 VanDerWaalsContact C-N 3.28Å; R589-A591 PolarHBondContact O-N 3.3Å
592	M	82.8	Confident	88.3	Confident	22 Å²	22	49 Å²	49	11%	0.108	29%	0.286	C	S	.	.	S	Bend	trans	-81.7	154.1	-177.9	-65	174.9	79.4	0	0	111.8	T564 F568 F585 H588 R589 T596 V600	T564-M592 HydrophobicContact CG2-CE 3.67Å; F568-M592 HydrophobicContact CE2-CE 4.34Å; F585-M592 HydrophobicContact CD2-SD 3.85Å; F585-M592 HydrophobicContact CE2-CE 4.47Å; F585-M592 HydrophobicContact CE2-SD 3.82Å; H588-M592 WeakPolarHBondContact O-CG 3.41Å; H588-M592 PolarHBondContact O-N 2.83Å; R589-M592 PolarHBondContact O-N 3.49Å; M592-T596 HydrophobicContact CE-CG2 3.48Å; M592-T596 VanDerWaalsContact CE-CG2 3.48Å; M592-V600 HydrophobicContact CE-CB 4.45Å; M592-V600 HydrophobicContact CE-CG2 4.02Å
593	H	79.9	Confident	87.9	Confident	10 Å²	10	48.8 Å²	48.8	5%	0.046	28%	0.283	C	S	.	.			trans	-56.2	136.5	167.6	-173.9	-80.6	0	0	0	110.6	Q113 P263 V595 T596 S597	Q113-H593 VanDerWaalsContact NE2-CA 3.32Å; Q113-H593 PolarHBondContact OE1-CD2 2.8Å; P263-H593 HydrophobicContact CB-CB 4.35Å; P263-H593 HydrophobicContact CG-CB 4.32Å; H593-V595 VanDerWaalsContact C-N 3.29Å; H593-V595 WeakPolarHBondContact ND1-CB 3.46Å; H593-V595 PolarHBondContact ND1-N 2.89Å; H593-V595 VanDerWaalsContact ND1-N 3.18Å; H593-V595 PolarHBondContact O-N 3.5Å; H593-T596 WeakPolarHBondContact O-CB 3.39Å; H593-T596 PolarHBondContact O-N 3.31Å; H593-S597 WeakPolarHBondContact O-CB 3.48Å; H593-S597 PolarHBondContact O-N 3.45Å
594	P	77.1	Confident	87.8	Confident	90 Å²	90	42 Å²	42	58%	0.584	26%	0.258	S	S	*	.	H	α-helix	trans	-53	-42.3	-175.4	-29.5	35.4	0	0	0	114	S597 G598	P594-S597 PolarHBondContact O-N 3Å; P594-G598 PolarHBondContact O-N 3.22Å
595	V	77.9	Confident	87.6	Confident	42 Å²	42	49.7 Å²	49.7	26%	0.255	29%	0.29	S	S	.	.	H	α-helix	trans	-62.8	-48.3	175.2	178.8	0	0	0	0	111.6	M561 H593 S597 G598 L599	M561-V595 HydrophobicContact CE-CG1 4.3Å; M561-V595 HydrophobicContact SD-CG1 3.98Å; H593-V595 VanDerWaalsContact C-N 3.29Å; H593-V595 WeakPolarHBondContact ND1-CB 3.46Å; H593-V595 PolarHBondContact ND1-N 2.89Å; H593-V595 VanDerWaalsContact ND1-N 3.18Å; H593-V595 PolarHBondContact O-N 3.5Å; V595-S597 VanDerWaalsContact C-N 3.33Å; V595-S597 PolarHBondContact O-N 2.86Å; V595-G598 PolarHBondContact O-N 2.95Å; V595-L599 HydrophobicContact CG1-CD1 3.97Å; V595-L599 WeakPolarHBondContact O-CG 3.33Å; V595-L599 PolarHBondContact O-N 3.4Å
596	T	83.6	Confident	87.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-45.8	177.2	-51.9	0	0	0	0	110.6	P263 G559 M561 T564 M592 H593 L599 V600	P263-T596 WeakPolarHBondContact CB-OG1 3.39Å; G559-T596 PolarHBondContact O-OG1 3.05Å; M561-T596 HydrophobicContact CG-CG2 3.99Å; M561-T596 WeakPolarHBondContact CG-OG1 3.42Å; T564-T596 HydrophobicContact CG2-CG2 3.98Å; M592-T596 HydrophobicContact CE-CG2 3.48Å; M592-T596 VanDerWaalsContact CE-CG2 3.48Å; H593-T596 WeakPolarHBondContact O-CB 3.39Å; H593-T596 PolarHBondContact O-N 3.31Å; T596-L599 PolarHBondContact O-N 3.43Å; T596-V600 HydrophobicContact CG2-CG2 4.29Å; T596-V600 WeakPolarHBondContact O-CB 3.48Å; T596-V600 VanDerWaalsContact O-CG2 3.26Å; T596-V600 WeakPolarHBondContact O-CG2 3.4Å; T596-V600 PolarHBondContact O-N 2.88Å
597	S	87.3	Confident	86.5	Confident	13 Å²	13	53.2 Å²	53.2	9%	0.091	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-47.8	177.7	172.1	0	0	0	0	112.1	F585 R589 H593 P594 V595 L599 A601	F585-S597 WeakPolarHBondContact CZ-O 3.36Å; R589-S597 WeakPolarHBondContact CG-OG 3.34Å; R589-S597 PolarHBondContact NE-OG 3.01Å; H593-S597 WeakPolarHBondContact O-CB 3.48Å; H593-S597 PolarHBondContact O-N 3.45Å; P594-S597 PolarHBondContact O-N 3Å; V595-S597 VanDerWaalsContact C-N 3.33Å; V595-S597 PolarHBondContact O-N 2.86Å; S597-L599 PolarHBondContact O-N 3.05Å; S597-A601 WeakPolarHBondContact O-CB 3.47Å; S597-A601 PolarHBondContact O-N 2.58Å
598	G	84.5	Confident	84.6	Confident	39 Å²	39	53.8 Å²	53.8	40%	0.402	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-43.6	178.2	0	0	0	0	0	113	P594 V595 K602	P594-G598 PolarHBondContact O-N 3.22Å; V595-G598 PolarHBondContact O-N 2.95Å; G598-K602 PolarHBondContact O-N 3.3Å; G598-K602 VanDerWaalsContact O-N 3.15Å
599	L	84.5	Confident	82.3	Confident	50 Å²	50	55.2 Å²	55.2	26%	0.262	33%	0.333	S	S	.	.	H	α-helix	trans	-71.6	-39.1	-179.8	-70.2	174.1	0	0	0	112.8	M561 V595 T596 S597 K602 D603	M561-L599 HydrophobicContact SD-CD1 3.62Å; V595-L599 HydrophobicContact CG1-CD1 3.97Å; V595-L599 WeakPolarHBondContact O-CG 3.33Å; V595-L599 PolarHBondContact O-N 3.4Å; T596-L599 PolarHBondContact O-N 3.43Å; S597-L599 PolarHBondContact O-N 3.05Å; L599-K602 PolarHBondContact O-N 3.18Å; L599-D603 PolarHBondContact O-N 3.19Å
600	V	91.8	Very high	79.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-66.4	-40.8	174.7	174.3	0	0	0	0	110.8	T564 R565 F568 F585 M592 T596 K602 D603 L604	T564-V600 HydrophobicContact CG2-CG2 4.08Å; R565-V600 HydrophobicContact CG-CG2 3.83Å; F568-V600 HydrophobicContact CB-CG1 4.11Å; F568-V600 HydrophobicContact CD2-CG1 3.63Å; F568-V600 HydrophobicContact CD2-CG2 4.18Å; F568-V600 HydrophobicContact CE2-CG1 4.16Å; F568-V600 HydrophobicContact CG-CG1 3.85Å; F585-V600 HydrophobicContact CD2-CB 4.07Å; F585-V600 HydrophobicContact CD2-CG1 3.36Å; F585-V600 HydrophobicContact CE2-CB 3.78Å; F585-V600 HydrophobicContact CE2-CG1 3.59Å; F585-V600 HydrophobicContact CG-CG1 3.94Å; F585-V600 HydrophobicContact CZ-CB 4.44Å; F585-V600 HydrophobicContact CZ-CG1 4.33Å; M592-V600 HydrophobicContact CE-CB 4.45Å; M592-V600 HydrophobicContact CE-CG2 4.02Å; T596-V600 HydrophobicContact CG2-CG2 4.29Å; T596-V600 WeakPolarHBondContact O-CB 3.48Å; T596-V600 VanDerWaalsContact O-CG2 3.26Å; T596-V600 WeakPolarHBondContact O-CG2 3.4Å; T596-V600 PolarHBondContact O-N 2.88Å; V600-K602 VanDerWaalsContact C-N 3.28Å; V600-K602 PolarHBondContact O-N 3.2Å; V600-D603 PolarHBondContact O-N 3.23Å; V600-L604 HydrophobicContact CG1-CD1 3.65Å; V600-L604 HydrophobicContact CG1-CG 4.01Å; V600-L604 WeakPolarHBondContact O-CB 3.43Å; V600-L604 VanDerWaalsContact O-CG 3.29Å; V600-L604 WeakPolarHBondContact O-CG 3.4Å; V600-L604 PolarHBondContact O-N 3.3Å
601	A	93	Very high	77.8	Confident	5 Å²	5	55.4 Å²	55.4	4%	0.041	33%	0.331	C	S	.	.	H	α-helix	trans	-56.3	-44.5	174.2	0	0	0	0	0	111.6	F585 S597 L604 K605 V606	F585-A601 HydrophobicContact CE1-CB 3.87Å; F585-A601 HydrophobicContact CZ-CB 3.76Å; S597-A601 WeakPolarHBondContact O-CB 3.47Å; S597-A601 PolarHBondContact O-N 2.58Å; A601-L604 CarbonylContact O-C 3.47Å; A601-L604 PolarHBondContact O-N 2.89Å; A601-K605 PolarHBondContact O-N 3.06Å; A601-V606 PolarHBondContact O-N 3.34Å
602	K	89	Confident	75.4	Confident	163 Å²	163	56.7 Å²	56.7	71%	0.709	35%	0.349	S	S	*	.	H	α-helix	trans	-63.3	-45.2	175.8	-172	179.3	-179.2	-179.9	0	112.1	G598 L599 V600 L604 K605	G598-K602 PolarHBondContact O-N 3.3Å; G598-K602 VanDerWaalsContact O-N 3.15Å; L599-K602 PolarHBondContact O-N 3.18Å; V600-K602 VanDerWaalsContact C-N 3.28Å; V600-K602 PolarHBondContact O-N 3.2Å; K602-L604 VanDerWaalsContact C-N 3.27Å; K602-L604 PolarHBondContact O-N 3.24Å; K602-K605 PolarHBondContact O-N 2.84Å
603	D	90.3	Very high	73	Confident	29 Å²	29	63.9 Å²	63.9	16%	0.155	39%	0.388	C	S	.	.	H	α-helix	trans	-61.4	-36.2	177.4	-73.6	-40.3	0	0	0	111.9	R565 R569 L599 V600	R565-D603 IonicContact CZ-OD2 3.91Å; R565-D603 IonicContact NE-OD2 2.72Å; R565-D603 PolarHBondContact NE-OD2 2.91Å; R565-D603 IonicContact NH2-OD1 3.78Å; R565-D603 PolarHBondContact NH2-OD1 3.37Å; R565-D603 VanDerWaalsContact NH2-OD1 3.16Å; R565-D603 IonicContact NH2-OD2 3.87Å; R565-D603 PolarHBondContact NH2-OD2 2.92Å; R569-D603 IonicContact CZ-OD1 3.3Å; R569-D603 IonicContact NE-OD1 2.77Å; R569-D603 IonicContact NH2-OD1 2.74Å; R569-D603 PolarHBondContact NH2-OD1 2.8Å; R569-D603 IonicContact NH2-OD2 2.85Å; L599-D603 PolarHBondContact O-N 3.19Å; V600-D603 PolarHBondContact O-N 3.23Å
604	L	95.1	Very high	70.5	Confident	2 Å²	2	78.5 Å²	78.5	1%	0.01	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-0.3	-179.8	-62.2	-176.7	0	0	0	114.2	F568 F572 F585 V600 A601 K602 V606	F568-L604 HydrophobicContact CB-CD1 4.46Å; F568-L604 HydrophobicContact CB-CD2 4.14Å; F568-L604 HydrophobicContact CD1-CD1 4.02Å; F568-L604 HydrophobicContact CG-CD1 4.35Å; F572-L604 HydrophobicContact CB-CD2 3.47Å; F572-L604 VanDerWaalsContact CB-CD2 3.47Å; F572-L604 HydrophobicContact CD2-CB 4.35Å; F572-L604 HydrophobicContact CD2-CD2 3.6Å; F572-L604 HydrophobicContact CE2-CB 4.49Å; F572-L604 WeakPolarHBondContact CE2-O 3.49Å; F572-L604 HydrophobicContact CG-CD2 3.65Å; F572-L604 WeakPolarHBondContact CZ-O 3.41Å; F585-L604 HydrophobicContact CB-CD1 3.54Å; F585-L604 HydrophobicContact CD1-CD1 3.9Å; F585-L604 HydrophobicContact CD2-CD1 4.43Å; F585-L604 HydrophobicContact CG-CD1 3.69Å; V600-L604 HydrophobicContact CG1-CD1 3.65Å; V600-L604 HydrophobicContact CG1-CG 4.01Å; V600-L604 WeakPolarHBondContact O-CB 3.43Å; V600-L604 VanDerWaalsContact O-CG 3.29Å; V600-L604 WeakPolarHBondContact O-CG 3.4Å; V600-L604 PolarHBondContact O-N 3.3Å; A601-L604 CarbonylContact O-C 3.47Å; A601-L604 PolarHBondContact O-N 2.89Å; K602-L604 VanDerWaalsContact C-N 3.27Å; K602-L604 PolarHBondContact O-N 3.24Å; L604-V606 HydrophobicContact CB-CG2 3.87Å; L604-V606 PolarHBondContact O-N 3.24Å
605	K	94.3	Very high	70.2	Confident	174 Å²	174	77.9 Å²	77.9	76%	0.757	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	38.7	-176.8	-50.9	177	-176.4	178.2	0	112.8	A601 K602	A601-K605 PolarHBondContact O-N 3.06Å; K602-K605 PolarHBondContact O-N 2.84Å
606	V	91.4	Very high	69.8	Low	19 Å²	19	79.8 Å²	79.8	12%	0.115	45%	0.445	C	S	.	.			trans	-96.5	120.2	175.5	178.9	0	0	0	0	108.3	V582 F585 L586 A601 L604 A608	V582-V606 HydrophobicContact CG1-CG2 3.81Å; V582-V606 HydrophobicContact CG2-CG2 4.12Å; F585-V606 HydrophobicContact CD1-CG2 4.44Å; F585-V606 HydrophobicContact CE1-CB 4.45Å; F585-V606 HydrophobicContact CE1-CG1 4.44Å; L586-V606 HydrophobicContact CD2-CG1 4.02Å; A601-V606 PolarHBondContact O-N 3.34Å; L604-V606 HydrophobicContact CB-CG2 3.87Å; L604-V606 PolarHBondContact O-N 3.24Å; V606-A608 PolarHBondContact O-N 3.49Å
607	D	78.7	Confident	69	Low	120 Å²	120	84.2 Å²	84.2	64%	0.642	47%	0.47	S	S	*	.			trans	-63	135.8	179.7	-75.5	-33.3	0	0	0	111.2	S609 S610	D607-S609 PolarHBondContact O-N 2.94Å; D607-S610 PolarHBondContact O-N 3.22Å; D607-S610 VanDerWaalsContact O-N 3.13Å; D607-S610 PolarHBondContact O-OG 3.27Å
608	A	55.2	Low	68	Low	82 Å²	82	88.4 Å²	88.4	68%	0.678	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.4	179.7	0	0	0	0	0	113.3	V606	V606-A608 PolarHBondContact O-N 3.49Å
609	S	42.4	Very low	66.9	Low	103 Å²	103	91.5 Å²	91.5	72%	0.72	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-2.9	-177.8	51.2	0	0	0	0	115.4	D607 T611	D607-S609 PolarHBondContact O-N 2.94Å; S609-T611 VanDerWaalsContact C-N 3.31Å; S609-T611 PolarHBondContact O-N 2.9Å; S609-T611 VanDerWaalsContact O-N 3.12Å
610	S	35.8	Very low	65.8	Low	60 Å²	60	94.3 Å²	94.3	42%	0.42	51%	0.513	S	S	.	.			trans	-87.2	46.3	-173	60.7	0	0	0	0	115	D607	D607-S610 PolarHBondContact O-N 3.22Å; D607-S610 VanDerWaalsContact O-N 3.13Å; D607-S610 PolarHBondContact O-OG 3.27Å
611	T	39.4	Very low	63.9	Low	94 Å²	94	101 Å²	101	58%	0.577	55%	0.55	S	S	*	*			trans	-162.6	112.6	160.2	48.6	0	0	0	0	105.5	L586 S609	L586-T611 HydrophobicContact CD2-CG2 4.48Å; S609-T611 VanDerWaalsContact C-N 3.31Å; S609-T611 PolarHBondContact O-N 2.9Å; S609-T611 VanDerWaalsContact O-N 3.12Å
612	G	29.8	Very low	61.7	Low	74 Å²	74	108.4 Å²	108.4	76%	0.763	59%	0.589	S	S	*	*				87.6	72.3	50.7	0	0	0	0	0	108.5	R614	G612-R614 PolarHBondContact O-N 3.23Å; G612-R614 VanDerWaalsContact O-N 3.09Å
613	D	31.2	Very low	59.4	Low	172 Å²	172	103.8 Å²	103.8	92%	0.92	58%	0.579	S	S	*	*			trans	-52.4	111.4	164.4	-82	-34.7	0	0	0	108.8
614	R	29.2	Very low	56.6	Low	317 Å²	317	110.6 Å²	110.6	100%	1.196	62%	0.618	S	S	*	*			trans	-145.9	0	150.4	-77.6	-160.4	-175.6	-179.3	2.2	110.1	G612	G612-R614 PolarHBondContact O-N 3.23Å; G612-R614 VanDerWaalsContact O-N 3.09Å

Retrieved 614 of 614 residues in 1600.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).