A0A087XZ12_POEFO Loading...

Myotubularin related protein 11

AlphaFold DB , UniProt , Accession A0A087XZ12, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 567 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	S	28.3	Very low	66.6	Low	157 Å²	157	74.2 Å²	74.2	100%	1.098	42%	0.421	S	S	*	.				0	89.7	0	47.8	0	0	0	0	109.3
2	R	32.4	Very low	68.8	Low	236 Å²	236	73.6 Å²	73.6	89%	0.891	42%	0.42	S	S	*	.			trans	-125.3	123.3	170.5	-68	179.6	-176.3	179.3	1.3	104.1	S4	R2-S4 PolarHBondContact O-N 3.25Å
3	R	44.1	Very low	70.7	Confident	112 Å²	112	73.9 Å²	73.9	42%	0.423	42%	0.419	S	S	.	.			trans	-57.5	118	161.1	-130.8	178.3	-173	173.1	3.5	105.4	A57	R3-A57 PolarHBondContact NH1-O 2.68Å
4	S	54.7	Low	72.4	Confident	74 Å²	74	71.1 Å²	71.1	52%	0.517	40%	0.401	S	S	.	.			trans	-57.7	167	173.9	48.3	0	0	0	0	107.9	R2 C6	R2-S4 PolarHBondContact O-N 3.25Å; S4-C6 PolarHBondContact O-N 2.91Å; S4-C6 PolarHBondContact OG-O 3.23Å
5	V	66.1	Low	73.9	Confident	52 Å²	52	75.2 Å²	75.2	32%	0.315	41%	0.407	S	S	.	.	S	Bend	trans	-51.5	-7.5	166.5	175	0	0	0	0	112.6	F37 R42 A44 V46	V5-F37 HydrophobicContact CG1-CD2 3.9Å; V5-F37 HydrophobicContact CG1-CE2 4.17Å; V5-F37 HydrophobicContact CG1-CG 4.1Å; V5-F37 HydrophobicContact CG2-CD2 4.46Å; V5-F37 HydrophobicContact CG2-CE1 4.21Å; V5-F37 HydrophobicContact CG2-CE2 3.92Å; V5-F37 HydrophobicContact CG2-CZ 3.78Å; V5-R42 PolarHBondContact O-NH2 3.01Å; V5-A44 HydrophobicContact CG1-CB 4.1Å; V5-V46 HydrophobicContact CG1-CG2 3.76Å; V5-V46 HydrophobicContact CG2-CG2 3.94Å
6	C	81.6	Confident	75.3	Confident	8 Å²	8	70.5 Å²	70.5	5%	0.054	38%	0.382	C	S	.	.	S	Bend	trans	-106.7	147.7	-170.3	-58.2	0	0	0	0	113.1	S4 E10 V12	S4-C6 PolarHBondContact O-N 2.91Å; S4-C6 PolarHBondContact OG-O 3.23Å; C6-E10 WeakPolarHBondContact CA-OE2 3.29Å; C6-E10 HydrophobicContact CB-CB 3.78Å; C6-E10 HydrophobicContact CB-CG 3.81Å; C6-E10 WeakPolarHBondContact CB-O 3.44Å; C6-V12 WeakPolarHBondContact SG-CG2 3.43Å
7	L	85.1	Confident	76.4	Confident	10 Å²	10	68.1 Å²	68.1	5%	0.052	37%	0.37	C	S	.	.			trans	-60.8	160.4	164.6	-61.4	171	0	0	0	110.9	G9 E10 F41 P59 L61 A148 M154	L7-G9 PolarHBondContact O-N 3.35Å; L7-G9 VanDerWaalsContact O-N 3.16Å; L7-E10 HydrophobicContact CB-CB 3.98Å; L7-E10 WeakPolarHBondContact CG-OE2 3.4Å; L7-E10 PolarHBondContact N-OE2 3.38Å; L7-E10 WeakPolarHBondContact O-CB 3.32Å; L7-E10 PolarHBondContact O-N 3.45Å; L7-F41 HydrophobicContact CD1-CD1 4.16Å; L7-F41 HydrophobicContact CD1-CE1 4.05Å; L7-P59 HydrophobicContact CD2-CB 4.04Å; L7-L61 HydrophobicContact CD1-CD2 3.77Å; L7-L61 HydrophobicContact CD2-CD2 4.49Å; L7-A148 HydrophobicContact CD1-CB 4.42Å; L7-M154 HydrophobicContact CB-CE 4.42Å; L7-M154 HydrophobicContact CD2-CE 4.21Å
8	P	83.6	Confident	77.4	Confident	29 Å²	29	68.9 Å²	68.9	19%	0.188	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	121.9	170.1	-24.4	33.5	0	0	0	111.6	E10 S151 E153	P8-E10 VanDerWaalsContact C-N 3.31Å; P8-S151 WeakPolarHBondContact O-CB 3.42Å; P8-S151 PolarHBondContact O-OG 3.16Å; P8-E153 HydrophobicContact CB-CB 3.88Å; P8-E153 HydrophobicContact CG-CB 4.4Å
9	G	81	Confident	78.4	Confident	53 Å²	53	65.3 Å²	65.3	55%	0.546	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	-9.7	-175.9	0	0	0	0	0	115.7	L7 H40	L7-G9 PolarHBondContact O-N 3.35Å; L7-G9 VanDerWaalsContact O-N 3.16Å; G9-H40 PolarHBondContact O-CE1 3.41Å
10	E	87.9	Confident	79.3	Confident	11 Å²	11	66.1 Å²	66.1	5%	0.051	35%	0.35	C	S	.	.			trans	-80.4	137.6	176.2	177	-174.2	-160.7	0	0	110.8	C6 L7 P8 T39 H40 F41 R42	C6-E10 WeakPolarHBondContact CA-OE2 3.29Å; C6-E10 HydrophobicContact CB-CB 3.78Å; C6-E10 HydrophobicContact CB-CG 3.81Å; C6-E10 WeakPolarHBondContact CB-O 3.44Å; L7-E10 HydrophobicContact CB-CB 3.98Å; L7-E10 WeakPolarHBondContact CG-OE2 3.4Å; L7-E10 PolarHBondContact N-OE2 3.38Å; L7-E10 WeakPolarHBondContact O-CB 3.32Å; L7-E10 PolarHBondContact O-N 3.45Å; P8-E10 VanDerWaalsContact C-N 3.31Å; E10-T39 HydrophobicContact CG-CG2 4.01Å; E10-T39 WeakPolarHBondContact OE1-CB 3.43Å; E10-T39 WeakPolarHBondContact OE1-CG2 3.36Å; E10-T39 PolarHBondContact OE1-OG1 3.29Å; E10-H40 VanDerWaalsContact CA-CE1 3.48Å; E10-H40 WeakPolarHBondContact CA-CE1 3.13Å; E10-F41 HydrophobicContact CG-CB 4.49Å; E10-R42 VanDerWaalsContact OE1-CG 3.32Å; E10-R42 WeakPolarHBondContact OE1-CG 3.49Å; E10-R42 IonicContact OE1-CZ 2.82Å; E10-R42 IonicContact OE1-NE 3.8Å; E10-R42 PolarHBondContact OE1-NE 3.31Å; E10-R42 IonicContact OE1-NH2 3.85Å; E10-R42 IonicContact OE2-CZ 2.95Å; E10-R42 IonicContact OE2-NE 3.59Å; E10-R42 PolarHBondContact OE2-NE 2.83Å; E10-R42 IonicContact OE2-NH2 3.89Å; E10-R42 PolarHBondContact OE2-NH2 3Å
11	C	88.3	Confident	80	Confident	74 Å²	74	63 Å²	63	50%	0.5	33%	0.334	S	S	.	.			trans	-123	136	-176	-63.1	0	0	0	0	110.9	L13 T39 H40	C11-L13 PolarHBondContact O-N 3.38Å; C11-T39 VanDerWaalsContact O-CA 3.27Å; C11-T39 WeakPolarHBondContact O-CA 3.17Å; C11-T39 VanDerWaalsContact O-CB 3.27Å; C11-T39 WeakPolarHBondContact O-CB 3.44Å; C11-H40 PolarHBondContact N-CE1 2.84Å; C11-H40 PolarHBondContact N-ND1 3.38Å; C11-H40 PolarHBondContact O-N 3.21Å; C11-H40 PolarHBondContact O-ND1 3.18Å
12	V	92.5	Very high	83	Confident	67 Å²	67	60.8 Å²	60.8	41%	0.406	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	123.4	171.1	-178.2	0	0	0	0	109.4	C6 Q14 R15 F37	C6-V12 WeakPolarHBondContact SG-CG2 3.43Å; V12-Q14 WeakPolarHBondContact CG1-O 3.47Å; V12-R15 HydrophobicContact CG1-CB 4.41Å; V12-F37 HydrophobicContact CG1-CD1 4Å; V12-F37 HydrophobicContact CG2-CD1 4.19Å
13	L	93.1	Very high	85.7	Confident	78 Å²	78	51 Å²	51	41%	0.408	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-38.8	173.5	-58.6	-179.9	0	0	0	111.5	C11 C38 T39 H40 T128 T132	C11-L13 PolarHBondContact O-N 3.38Å; L13-C38 WeakPolarHBondContact CA-O 3.27Å; L13-C38 WeakPolarHBondContact CB-O 3.41Å; L13-C38 PolarHBondContact N-O 3.31Å; L13-T39 WeakPolarHBondContact CD1-O 3.2Å; L13-H40 HydrophobicContact CD1-CB 4.15Å; L13-H40 HydrophobicContact CG-CB 4.45Å; L13-T128 HydrophobicContact CB-CG2 3.68Å; L13-T128 HydrophobicContact CD1-CG2 4.25Å; L13-T132 HydrophobicContact CD1-CG2 3.83Å
14	Q	95.4	Very high	87.5	Confident	35 Å²	35	49.2 Å²	49.2	16%	0.164	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	151.9	176.9	-175.6	61.8	0.1	0	0	111.5	V12 F37 C38 E124 I125 T128	V12-Q14 WeakPolarHBondContact CG1-O 3.47Å; Q14-F37 WeakPolarHBondContact O-CA 3.29Å; Q14-C38 PolarHBondContact N-O 3.27Å; Q14-C38 VanDerWaalsContact N-O 3.12Å; Q14-C38 PolarHBondContact O-N 3.29Å; Q14-E124 HydrophobicContact CG-CB 4.27Å; Q14-E124 VanDerWaalsContact NE2-CB 3.27Å; Q14-E124 PolarHBondContact NE2-OE2 3.24Å; Q14-I125 HydrophobicContact CB-CD1 3.66Å; Q14-I125 HydrophobicContact CG-CB 3.83Å; Q14-I125 HydrophobicContact CG-CD1 3.65Å; Q14-I125 HydrophobicContact CG-CG1 4.33Å; Q14-T128 HydrophobicContact CB-CG2 3.99Å
15	R	94.8	Very high	88.6	Confident	132 Å²	132	48.7 Å²	48.7	50%	0.498	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.8	179.5	175	-172.7	177.9	-116.7	0.9	110.7	V12 T35 L36 F37	V12-R15 HydrophobicContact CG1-CB 4.41Å; R15-T35 HydrophobicContact CG-CG2 3.72Å; R15-L36 WeakPolarHBondContact CA-O 3.35Å; R15-F37 HydrophobicContact CB-CD1 3.95Å; R15-F37 HydrophobicContact CB-CE1 4.12Å; R15-F37 HydrophobicContact CG-CD1 3.83Å; R15-F37 HydrophobicContact CG-CE1 3.57Å; R15-F37 HydrophobicContact CG-CZ 4.18Å
16	T	96	Very high	88.9	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.8	174.1	-56.1	0	0	0	0	110.3	V19 T35 L36 F113 T117 Q121 I125	T16-V19 HydrophobicContact CG2-CG2 3.84Å; T16-T35 WeakPolarHBondContact O-CG2 3.32Å; T16-L36 PolarHBondContact N-O 3.04Å; T16-L36 PolarHBondContact O-N 3.49Å; T16-F113 HydrophobicContact CG2-CD1 4.08Å; T16-F113 HydrophobicContact CG2-CE1 4.05Å; T16-T117 HydrophobicContact CG2-CG2 3.4Å; T16-Q121 HydrophobicContact CG2-CB 4.09Å; T16-Q121 PolarHBondContact OG1-O 3.47Å; T16-I125 HydrophobicContact CG2-CG2 4.49Å; T16-I125 VanDerWaalsContact OG1-CB 3.25Å; T16-I125 WeakPolarHBondContact OG1-CB 3.39Å; T16-I125 VanDerWaalsContact OG1-CG2 3.26Å; T16-I125 WeakPolarHBondContact OG1-CG2 3.26Å
17	V	94.1	Very high	88.7	Confident	29 Å²	29	57 Å²	57	18%	0.176	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	170.5	178.3	-65.5	0	0	0	0	111.5	V19 T35 T117	V17-V19 VanDerWaalsContact C-N 3.3Å; V17-V19 PolarHBondContact O-N 2.92Å; V17-T35 HydrophobicContact CG1-CG2 4.03Å; V17-T117 WeakPolarHBondContact O-CG2 3.21Å; V17-T117 PolarHBondContact O-OG1 3.14Å
18	M	94.2	Very high	88.3	Confident	84 Å²	84	59.5 Å²	59.5	41%	0.414	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.3	45.7	175.4	-59.5	179.5	-76.2	0	0	111.6	G34 D114 L116 T117	M18-G34 PolarHBondContact N-O 3.41Å; M18-D114 HydrophobicContact CB-CB 4.03Å; M18-D114 WeakPolarHBondContact O-CB 3.35Å; M18-D114 PolarHBondContact O-N 3.02Å; M18-D114 VanDerWaalsContact O-N 3.11Å; M18-L116 HydrophobicContact CE-CB 4.06Å; M18-L116 WeakPolarHBondContact CE-O 3.44Å; M18-L116 HydrophobicContact SD-CB 3.77Å; M18-T117 WeakPolarHBondContact CB-OG1 3.43Å; M18-T117 PolarHBondContact O-OG1 3.36Å
19	V	96.1	Very high	88.1	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.4	177.1	-175.4	0	0	0	0	108.6	T16 V17 G34 L36 F45 F111 F113	T16-V19 HydrophobicContact CG2-CG2 3.84Å; V17-V19 VanDerWaalsContact C-N 3.3Å; V17-V19 PolarHBondContact O-N 2.92Å; V19-G34 PolarHBondContact N-O 3.11Å; V19-G34 PolarHBondContact O-N 2.91Å; V19-L36 HydrophobicContact CB-CB 4.25Å; V19-L36 HydrophobicContact CG1-CB 4.25Å; V19-L36 HydrophobicContact CG2-CB 3.92Å; V19-F45 HydrophobicContact CB-CE2 4.3Å; V19-F45 HydrophobicContact CG1-CE2 4.33Å; V19-F111 HydrophobicContact CG1-CB 3.79Å; V19-F111 HydrophobicContact CG1-CD1 4.03Å; V19-F111 HydrophobicContact CG1-CG 4.34Å; V19-F113 HydrophobicContact CG1-CD1 4.45Å; V19-F113 HydrophobicContact CG1-CE1 4.38Å; V19-F113 HydrophobicContact CG2-CD1 3.86Å; V19-F113 HydrophobicContact CG2-CE1 3.96Å
20	R	95.8	Very high	88.4	Confident	80 Å²	80	66.4 Å²	66.4	30%	0.302	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.8	174.2	-72.8	-176.2	-73	165.7	-5.2	110.3	W31 L32 F111 L112	R20-W31 HydrophobicContact CB-CB 4.29Å; R20-W31 HydrophobicContact CB-CD2 4.43Å; R20-W31 HydrophobicContact CB-CE3 3.8Å; R20-W31 WeakPolarHBondContact O-CZ3 3.28Å; R20-L32 CarbonylContact C-O 3.5Å; R20-L32 VanDerWaalsContact CA-O 3.27Å; R20-L32 WeakPolarHBondContact CA-O 3.49Å; R20-F111 CarbonylContact O-C 3.23Å; R20-F111 WeakPolarHBondContact O-CA 3.36Å; R20-L112 HydrophobicContact CB-CB 4.34Å; R20-L112 PolarHBondContact N-O 3.03Å; R20-L112 VanDerWaalsContact NH2-CD2 3.25Å; R20-L112 PolarHBondContact O-N 3.01Å
21	K	94.7	Very high	88.6	Confident	1 Å²	1	71 Å²	71	0%	0.004	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132.5	171.1	-177.3	-160.9	172.7	-160.1	0	109.4	E27 W31 L32 F45 H65 C110 F111	K21-E27 IonicContact NZ-OE1 4Å; K21-E27 PolarHBondContact NZ-OE1 3.46Å; K21-E27 IonicContact NZ-OE2 2.96Å; K21-W31 CarbonylContact O-C 3.6Å; K21-W31 WeakPolarHBondContact O-CA 3.31Å; K21-L32 PolarHBondContact N-O 3.49Å; K21-L32 PolarHBondContact O-N 2.91Å; K21-F45 HydrophobicContact CB-CD1 3.93Å; K21-F45 HydrophobicContact CB-CD2 4.33Å; K21-F45 HydrophobicContact CB-CE1 3.66Å; K21-F45 HydrophobicContact CB-CE2 4.09Å; K21-F45 HydrophobicContact CB-CG 4.26Å; K21-F45 HydrophobicContact CB-CZ 3.75Å; K21-F45 HydrophobicContact CD-CD1 4.06Å; K21-F45 HydrophobicContact CD-CE1 4.4Å; K21-H65 HydrophobicContact CD-CB 4.13Å; K21-H65 PolarHBondContact NZ-ND1 3.15Å; K21-C110 WeakPolarHBondContact CA-O 3.34Å; K21-F111 HydrophobicContact CB-CD1 4.05Å; K21-F111 HydrophobicContact CB-CE1 3.97Å; K21-F111 HydrophobicContact CG-CD1 4.29Å; K21-F111 HydrophobicContact CG-CE1 3.88Å
22	K	92.2	Very high	88.8	Confident	111 Å²	111	69.7 Å²	69.7	48%	0.483	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128	170.5	-167.4	176.6	-179.7	178	0	109.9	W31 C110	K22-W31 HydrophobicContact CB-CE3 3.98Å; K22-W31 HydrophobicContact CB-CH2 3.92Å; K22-W31 HydrophobicContact CB-CZ2 4.48Å; K22-W31 HydrophobicContact CB-CZ3 3.64Å; K22-W31 HydrophobicContact CD-CH2 4.31Å; K22-W31 HydrophobicContact CD-CZ2 4.48Å; K22-W31 HydrophobicContact CG-CH2 4.24Å; K22-W31 HydrophobicContact CG-CZ2 4.36Å; K22-W31 HydrophobicContact CG-CZ3 4.37Å; K22-C110 HydrophobicContact CB-CB 3.77Å; K22-C110 HydrophobicContact CD-CB 4.08Å; K22-C110 PolarHBondContact N-O 2.68Å
23	L	88.6	Confident	88.9	Confident	32 Å²	32	69 Å²	69	17%	0.168	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	139.6	176.1	-64.1	-177.9	0	0	0	110.8	E27 G30 L32	L23-E27 HydrophobicContact CB-CB 3.86Å; L23-E27 HydrophobicContact CD2-CB 4.08Å; L23-E27 HydrophobicContact CG-CB 4.36Å; L23-G30 PolarHBondContact N-O 3.07Å; L23-L32 HydrophobicContact CD1-CB 4.29Å; L23-L32 HydrophobicContact CD2-CB 3.97Å; L23-L32 HydrophobicContact CD2-CD2 4.27Å; L23-L32 HydrophobicContact CG-CB 4.18Å
24	T	81.9	Confident	89	Confident	73 Å²	73	65.6 Å²	65.6	45%	0.448	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-67.8	170.6	173.6	62.4	0	0	0	0	111.6	R26 E27 G28 R29	T24-R26 VanDerWaalsContact C-N 3.26Å; T24-R26 PolarHBondContact O-N 3.3Å; T24-E27 WeakPolarHBondContact CB-OE2 3.4Å; T24-E27 WeakPolarHBondContact CG2-OE2 3.48Å; T24-E27 PolarHBondContact N-OE2 2.86Å; T24-E27 PolarHBondContact O-N 3.35Å; T24-E27 WeakPolarHBondContact OG1-CG 3.38Å; T24-E27 PolarHBondContact OG1-N 3.28Å; T24-E27 PolarHBondContact OG1-OE2 2.9Å; T24-G28 PolarHBondContact O-N 2.99Å; T24-R29 PolarHBondContact O-N 3.12Å
25	A	76.8	Confident	89	Confident	64 Å²	64	65.2 Å²	65.2	53%	0.529	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.3	175.4	0	0	0	0	0	112.7	E27 G28 R29	A25-E27 VanDerWaalsContact C-N 3.35Å; A25-G28 PolarHBondContact O-N 3.12Å; A25-R29 HydrophobicContact CB-CG 4.45Å
26	R	72.8	Confident	89.1	Confident	165 Å²	165	59 Å²	59	62%	0.623	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-33.2	175.3	-71.1	-170.2	176.5	-154.5	-4.7	112.4	T24 G28 D437 D438	T24-R26 VanDerWaalsContact C-N 3.26Å; T24-R26 PolarHBondContact O-N 3.3Å; R26-G28 PolarHBondContact O-N 3Å; R26-D437 IonicContact CZ-OD2 3.35Å; R26-D437 VanDerWaalsContact CZ-OD2 3.24Å; R26-D437 IonicContact NH1-OD2 3.36Å; R26-D437 PolarHBondContact NH1-OD2 3.06Å; R26-D437 IonicContact NH2-OD2 3.76Å; R26-D437 PolarHBondContact NH2-OD2 3.2Å; R26-D438 IonicContact NH1-OD1 3.87Å; R26-D438 PolarHBondContact NH1-OD1 3.29Å
27	E	77.7	Confident	89	Confident	69 Å²	69	59.9 Å²	59.9	32%	0.322	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	9.7	177.9	-67.4	165.3	126.2	0	0	113.3	K21 L23 T24 A25 H65	K21-E27 IonicContact NZ-OE1 4Å; K21-E27 PolarHBondContact NZ-OE1 3.46Å; K21-E27 IonicContact NZ-OE2 2.96Å; L23-E27 HydrophobicContact CB-CB 3.86Å; L23-E27 HydrophobicContact CD2-CB 4.08Å; L23-E27 HydrophobicContact CG-CB 4.36Å; T24-E27 WeakPolarHBondContact CB-OE2 3.4Å; T24-E27 WeakPolarHBondContact CG2-OE2 3.48Å; T24-E27 PolarHBondContact N-OE2 2.86Å; T24-E27 PolarHBondContact O-N 3.35Å; T24-E27 WeakPolarHBondContact OG1-CG 3.38Å; T24-E27 PolarHBondContact OG1-N 3.28Å; T24-E27 PolarHBondContact OG1-OE2 2.9Å; A25-E27 VanDerWaalsContact C-N 3.35Å; E27-H65 IonicContact OE1-CE1 2.63Å; E27-H65 IonicContact OE1-ND1 3.5Å
28	G	76	Confident	89.1	Confident	62 Å²	62	58.5 Å²	58.5	64%	0.639	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	3.5	174.9	0	0	0	0	0	116	T24 A25 R26	T24-G28 PolarHBondContact O-N 2.99Å; A25-G28 PolarHBondContact O-N 3.12Å; R26-G28 PolarHBondContact O-N 3Å
29	R	79.4	Confident	89	Confident	192 Å²	192	54.5 Å²	54.5	73%	0.725	28%	0.283	S	S	*	.	S	Bend	trans	58.8	154.8	-173.8	-56.8	-179.3	-179.9	-104.8	1.1	112.9	T24 A25	T24-R29 PolarHBondContact O-N 3.12Å; A25-R29 HydrophobicContact CB-CG 4.45Å
30	G	88.9	Confident	88.7	Confident	35 Å²	35	57.3 Å²	57.3	36%	0.361	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	111.1	-149.7	177.3	0	0	0	0	0	112.9	L23	L23-G30 PolarHBondContact N-O 3.07Å
31	W	91.4	Very high	88.4	Confident	108 Å²	108	53.5 Å²	53.5	41%	0.409	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.6	-171.2	-64.3	93.8	0	0	0	111.2	R20 K21 K22 L112	R20-W31 HydrophobicContact CB-CB 4.29Å; R20-W31 HydrophobicContact CB-CD2 4.43Å; R20-W31 HydrophobicContact CB-CE3 3.8Å; R20-W31 WeakPolarHBondContact O-CZ3 3.28Å; K21-W31 CarbonylContact O-C 3.6Å; K21-W31 WeakPolarHBondContact O-CA 3.31Å; K22-W31 HydrophobicContact CB-CE3 3.98Å; K22-W31 HydrophobicContact CB-CH2 3.92Å; K22-W31 HydrophobicContact CB-CZ2 4.48Å; K22-W31 HydrophobicContact CB-CZ3 3.64Å; K22-W31 HydrophobicContact CD-CH2 4.31Å; K22-W31 HydrophobicContact CD-CZ2 4.48Å; K22-W31 HydrophobicContact CG-CH2 4.24Å; K22-W31 HydrophobicContact CG-CZ2 4.36Å; K22-W31 HydrophobicContact CG-CZ3 4.37Å; W31-L112 HydrophobicContact CE3-CB 4.18Å; W31-L112 HydrophobicContact CH2-CB 3.84Å; W31-L112 HydrophobicContact CH2-CD2 4.28Å; W31-L112 HydrophobicContact CZ2-CD2 4.4Å; W31-L112 HydrophobicContact CZ3-CB 3.52Å; W31-L112 HydrophobicContact CZ3-CD2 4.43Å
32	L	93	Very high	88.3	Confident	47 Å²	47	54.1 Å²	54.1	25%	0.246	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.9	174.4	-171.8	59.8	0	0	0	109.2	R20 K21 L23 F45 P47 H65	R20-L32 CarbonylContact C-O 3.5Å; R20-L32 VanDerWaalsContact CA-O 3.27Å; R20-L32 WeakPolarHBondContact CA-O 3.49Å; K21-L32 PolarHBondContact N-O 3.49Å; K21-L32 PolarHBondContact O-N 2.91Å; L23-L32 HydrophobicContact CD1-CB 4.29Å; L23-L32 HydrophobicContact CD2-CB 3.97Å; L23-L32 HydrophobicContact CD2-CD2 4.27Å; L23-L32 HydrophobicContact CG-CB 4.18Å; L32-F45 HydrophobicContact CB-CE1 4.33Å; L32-F45 HydrophobicContact CD2-CE1 4.1Å; L32-F45 HydrophobicContact CG-CE1 4.08Å; L32-F45 WeakPolarHBondContact O-CZ 3.47Å; L32-P47 HydrophobicContact CD1-CB 4.23Å; L32-P47 HydrophobicContact CD2-CB 3.92Å; L32-P47 HydrophobicContact CD2-CG 3.59Å; L32-P47 HydrophobicContact CG-CB 4.04Å; L32-P47 HydrophobicContact CG-CG 4.23Å; L32-H65 WeakPolarHBondContact CD2-NE2 3.1Å
33	S	94.9	Very high	88.5	Confident	53 Å²	53	48.8 Å²	48.8	37%	0.371	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	141.6	178.2	-64.5	0	0	0	0	111.3	Q48	S33-Q48 PolarHBondContact O-N 3.08Å
34	G	94.6	Very high	88.7	Confident	6 Å²	6	47.3 Å²	47.3	6%	0.062	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	-161.9	-177.2	0	0	0	0	0	114.1	M18 V19 V46	M18-G34 PolarHBondContact N-O 3.41Å; V19-G34 PolarHBondContact N-O 3.11Å; V19-G34 PolarHBondContact O-N 2.91Å; G34-V46 CarbonylContact C-O 3.6Å; G34-V46 WeakPolarHBondContact CA-O 3.46Å
35	T	94.7	Very high	89.3	Confident	27 Å²	27	44 Å²	44	17%	0.166	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.1	177.5	-56.6	0	0	0	0	109.5	R15 T16 V17 F37 V46	R15-T35 HydrophobicContact CG-CG2 3.72Å; T16-T35 WeakPolarHBondContact O-CG2 3.32Å; V17-T35 HydrophobicContact CG1-CG2 4.03Å; T35-F37 HydrophobicContact CG2-CD2 4.06Å; T35-F37 HydrophobicContact CG2-CE1 4.13Å; T35-F37 HydrophobicContact CG2-CE2 3.37Å; T35-F37 HydrophobicContact CG2-CZ 3.41Å; T35-F37 VanDerWaalsContact CG2-CZ 3.41Å; T35-V46 PolarHBondContact N-O 3.1Å; T35-V46 PolarHBondContact O-N 3.05Å
36	L	96.4	Very high	90.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.1	176	-169.3	67.9	0	0	0	110.1	R15 T16 V19 V43 F45 L99 F111 I125 I129	R15-L36 WeakPolarHBondContact CA-O 3.35Å; T16-L36 PolarHBondContact N-O 3.04Å; T16-L36 PolarHBondContact O-N 3.49Å; V19-L36 HydrophobicContact CB-CB 4.25Å; V19-L36 HydrophobicContact CG1-CB 4.25Å; V19-L36 HydrophobicContact CG2-CB 3.92Å; L36-V43 HydrophobicContact CD1-CG1 3.6Å; L36-V43 HydrophobicContact CG-CG1 4.25Å; L36-F45 HydrophobicContact CD1-CB 4.22Å; L36-F45 HydrophobicContact CD1-CD2 4.22Å; L36-L99 HydrophobicContact CD2-CD2 4.14Å; L36-F111 HydrophobicContact CD1-CD1 3.94Å; L36-F111 HydrophobicContact CD1-CE1 3.69Å; L36-F111 HydrophobicContact CD1-CE2 4.37Å; L36-F111 HydrophobicContact CD1-CG 4.39Å; L36-F111 HydrophobicContact CD1-CZ 3.91Å; L36-F111 HydrophobicContact CD2-CG 4.37Å; L36-I125 HydrophobicContact CD2-CG1 4.11Å; L36-I129 HydrophobicContact CD2-CD1 4.44Å
37	F	95.4	Very high	91	Very high	20 Å²	20	36.3 Å²	36.3	9%	0.088	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.1	177.2	-59.6	-97.6	0	0	0	109.5	V5 V12 Q14 R15 T35 V43 A44 V46	V5-F37 HydrophobicContact CG1-CD2 3.9Å; V5-F37 HydrophobicContact CG1-CE2 4.17Å; V5-F37 HydrophobicContact CG1-CG 4.1Å; V5-F37 HydrophobicContact CG2-CD2 4.46Å; V5-F37 HydrophobicContact CG2-CE1 4.21Å; V5-F37 HydrophobicContact CG2-CE2 3.92Å; V5-F37 HydrophobicContact CG2-CZ 3.78Å; V12-F37 HydrophobicContact CG1-CD1 4Å; V12-F37 HydrophobicContact CG2-CD1 4.19Å; Q14-F37 WeakPolarHBondContact O-CA 3.29Å; R15-F37 HydrophobicContact CB-CD1 3.95Å; R15-F37 HydrophobicContact CB-CE1 4.12Å; R15-F37 HydrophobicContact CG-CD1 3.83Å; R15-F37 HydrophobicContact CG-CE1 3.57Å; R15-F37 HydrophobicContact CG-CZ 4.18Å; T35-F37 HydrophobicContact CG2-CD2 4.06Å; T35-F37 HydrophobicContact CG2-CE1 4.13Å; T35-F37 HydrophobicContact CG2-CE2 3.37Å; T35-F37 HydrophobicContact CG2-CZ 3.41Å; T35-F37 VanDerWaalsContact CG2-CZ 3.41Å; F37-V43 CarbonylContact O-C 3.56Å; F37-V43 VanDerWaalsContact O-CA 3.32Å; F37-V43 WeakPolarHBondContact O-CA 3.16Å; F37-A44 HydrophobicContact CB-CB 4.34Å; F37-A44 PolarHBondContact N-O 3.34Å; F37-A44 PolarHBondContact O-N 2.97Å; F37-V46 HydrophobicContact CD2-CG2 4.06Å; F37-V46 HydrophobicContact CE2-CB 4.11Å; F37-V46 HydrophobicContact CE2-CG2 3.75Å
38	C	95.3	Very high	91.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.2	162.4	-174.1	0	0	0	0	107.4	L13 Q14 I125 T128 I129	L13-C38 WeakPolarHBondContact CA-O 3.27Å; L13-C38 WeakPolarHBondContact CB-O 3.41Å; L13-C38 PolarHBondContact N-O 3.31Å; Q14-C38 PolarHBondContact N-O 3.27Å; Q14-C38 VanDerWaalsContact N-O 3.12Å; Q14-C38 PolarHBondContact O-N 3.29Å; C38-I125 HydrophobicContact CB-CD1 3.51Å; C38-T128 HydrophobicContact CB-CG2 4.1Å; C38-I129 HydrophobicContact CB-CG1 3.8Å
39	T	93	Very high	91.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-175.5	170.2	74.1	0	0	0	0	109.2	E10 C11 L13 F41 R42 L69	E10-T39 HydrophobicContact CG-CG2 4.01Å; E10-T39 WeakPolarHBondContact OE1-CB 3.43Å; E10-T39 WeakPolarHBondContact OE1-CG2 3.36Å; E10-T39 PolarHBondContact OE1-OG1 3.29Å; C11-T39 VanDerWaalsContact O-CA 3.27Å; C11-T39 WeakPolarHBondContact O-CA 3.17Å; C11-T39 VanDerWaalsContact O-CB 3.27Å; C11-T39 WeakPolarHBondContact O-CB 3.44Å; L13-T39 WeakPolarHBondContact CD1-O 3.2Å; T39-F41 PolarHBondContact O-N 2.99Å; T39-F41 PolarHBondContact OG1-N 2.84Å; T39-R42 PolarHBondContact N-O 2.88Å; T39-R42 PolarHBondContact OG1-N 2.84Å; T39-R42 PolarHBondContact OG1-O 3.24Å; T39-L69 WeakPolarHBondContact O-CD1 3.4Å
40	H	88.6	Confident	91.7	Very high	59 Å²	59	37.9 Å²	37.9	27%	0.273	21%	0.207	S	C	.	.	S	Bend	trans	-81.3	3.4	170.4	62.4	-103.4	0	0	0	113.3	G9 E10 C11 L13 A147	G9-H40 PolarHBondContact O-CE1 3.41Å; E10-H40 VanDerWaalsContact CA-CE1 3.48Å; E10-H40 WeakPolarHBondContact CA-CE1 3.13Å; C11-H40 PolarHBondContact N-CE1 2.84Å; C11-H40 PolarHBondContact N-ND1 3.38Å; C11-H40 PolarHBondContact O-N 3.21Å; C11-H40 PolarHBondContact O-ND1 3.18Å; L13-H40 HydrophobicContact CD1-CB 4.15Å; L13-H40 HydrophobicContact CG-CB 4.45Å; H40-A147 VanDerWaalsContact CD2-CB 3.41Å; H40-A147 WeakPolarHBondContact CD2-CB 3.5Å
41	F	90.1	Very high	90.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-121.4	-42.5	179.5	168.9	-116.8	0	0	0	113.1	L7 E10 T39 L61 L62 L69 F144 A147 A148 L451	L7-F41 HydrophobicContact CD1-CD1 4.16Å; L7-F41 HydrophobicContact CD1-CE1 4.05Å; E10-F41 HydrophobicContact CG-CB 4.49Å; T39-F41 PolarHBondContact O-N 2.99Å; T39-F41 PolarHBondContact OG1-N 2.84Å; F41-L61 WeakPolarHBondContact CE1-O 3.33Å; F41-L62 HydrophobicContact CE1-CD2 3.77Å; F41-L62 HydrophobicContact CE1-CG 4.44Å; F41-L62 HydrophobicContact CZ-CD2 3.97Å; F41-L62 HydrophobicContact CZ-CG 4.38Å; F41-L69 WeakPolarHBondContact O-CB 3.46Å; F41-L69 WeakPolarHBondContact O-CG 3.39Å; F41-L69 PolarHBondContact O-N 3.15Å; F41-F144 HydrophobicContact CD2-CD2 4.18Å; F41-F144 HydrophobicContact CD2-CE1 4.4Å; F41-F144 AromaticContact CD2-CE2 3.56Å; F41-F144 HydrophobicContact CD2-CE2 3.56Å; F41-F144 AromaticContact CD2-CZ 3.69Å; F41-F144 HydrophobicContact CD2-CZ 3.69Å; F41-F144 AromaticContact CE2-CE1 3.91Å; F41-F144 HydrophobicContact CE2-CE1 3.91Å; F41-F144 AromaticContact CE2-CE2 3.75Å; F41-F144 HydrophobicContact CE2-CE2 3.75Å; F41-F144 AromaticContact CE2-CZ 3.34Å; F41-F144 HydrophobicContact CE2-CZ 3.34Å; F41-F144 HydrophobicContact CZ-CZ 4.41Å; F41-F144 WeakPolarHBondContact O-CE2 3.49Å; F41-A147 HydrophobicContact CB-CB 4.21Å; F41-A148 HydrophobicContact CD1-CB 4.42Å; F41-A148 HydrophobicContact CD2-CB 3.66Å; F41-A148 HydrophobicContact CE1-CB 4.28Å; F41-A148 HydrophobicContact CE2-CB 3.5Å; F41-A148 VanDerWaalsContact CE2-CB 3.5Å; F41-A148 HydrophobicContact CG-CB 4.14Å; F41-A148 HydrophobicContact CZ-CB 3.84Å; F41-L451 HydrophobicContact CE2-CD1 3.84Å; F41-L451 HydrophobicContact CE2-CD2 4.07Å; F41-L451 HydrophobicContact CE2-CG 4.46Å; F41-L451 HydrophobicContact CZ-CD1 3.78Å
42	R	93	Very high	89.6	Confident	13 Å²	13	46.4 Å²	46.4	5%	0.049	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	162.6	-172.6	60.6	-178.1	164.2	177.9	-11.1	112.9	V5 E10 T39 A44 L61 L62 D66 I67	V5-R42 PolarHBondContact O-NH2 3.01Å; E10-R42 VanDerWaalsContact OE1-CG 3.32Å; E10-R42 WeakPolarHBondContact OE1-CG 3.49Å; E10-R42 IonicContact OE1-CZ 2.82Å; E10-R42 IonicContact OE1-NE 3.8Å; E10-R42 PolarHBondContact OE1-NE 3.31Å; E10-R42 IonicContact OE1-NH2 3.85Å; E10-R42 IonicContact OE2-CZ 2.95Å; E10-R42 IonicContact OE2-NE 3.59Å; E10-R42 PolarHBondContact OE2-NE 2.83Å; E10-R42 IonicContact OE2-NH2 3.89Å; E10-R42 PolarHBondContact OE2-NH2 3Å; T39-R42 PolarHBondContact N-O 2.88Å; T39-R42 PolarHBondContact OG1-N 2.84Å; T39-R42 PolarHBondContact OG1-O 3.24Å; R42-A44 HydrophobicContact CG-CB 4.3Å; R42-L61 PolarHBondContact NH1-O 2.9Å; R42-L61 VanDerWaalsContact NH1-O 3.11Å; R42-L62 HydrophobicContact CB-CD2 4.02Å; R42-D66 IonicContact CZ-OD2 3.87Å; R42-D66 IonicContact NE-OD2 3.32Å; R42-D66 IonicContact NH1-OD2 2.71Å; R42-D66 PolarHBondContact NH1-OD2 3.38Å; R42-I67 CarbonylContact C-O 3.55Å; R42-I67 VanDerWaalsContact CA-O 3.26Å; R42-I67 WeakPolarHBondContact CA-O 3.38Å; R42-I67 VanDerWaalsContact CB-O 3.28Å; R42-I67 WeakPolarHBondContact CB-O 3.29Å
43	V	95.1	Very high	88.2	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.6	156.6	-178.7	0	0	0	0	106.7	L36 F37 D66 I67 L69 I72 L101 I129	L36-V43 HydrophobicContact CD1-CG1 3.6Å; L36-V43 HydrophobicContact CG-CG1 4.25Å; F37-V43 CarbonylContact O-C 3.56Å; F37-V43 VanDerWaalsContact O-CA 3.32Å; F37-V43 WeakPolarHBondContact O-CA 3.16Å; V43-D66 WeakPolarHBondContact O-CA 3.39Å; V43-I67 PolarHBondContact N-O 2.66Å; V43-I67 PolarHBondContact O-N 2.81Å; V43-L69 HydrophobicContact CG2-CD2 3.87Å; V43-I72 HydrophobicContact CG2-CD1 3.82Å; V43-L101 HydrophobicContact CB-CD1 4.42Å; V43-L101 HydrophobicContact CG1-CD1 4.19Å; V43-L101 HydrophobicContact CG2-CD1 4.28Å; V43-I129 HydrophobicContact CG1-CD1 4.01Å; V43-I129 HydrophobicContact CG2-CD1 3.88Å; V43-I129 HydrophobicContact CG2-CG1 3.81Å; V43-I129 HydrophobicContact CG2-CG2 3.97Å
44	A	94.4	Very high	86.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.4	-178.2	0	0	0	0	0	110.9	V5 F37 R42 D66	V5-A44 HydrophobicContact CG1-CB 4.1Å; F37-A44 HydrophobicContact CB-CB 4.34Å; F37-A44 PolarHBondContact N-O 3.34Å; F37-A44 PolarHBondContact O-N 2.97Å; R42-A44 HydrophobicContact CG-CB 4.3Å; A44-D66 WeakPolarHBondContact CA-OD1 3.42Å; A44-D66 WeakPolarHBondContact CB-OD1 3.28Å
45	F	94.2	Very high	85.4	Confident	5 Å²	5	55 Å²	55	2%	0.022	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.7	176.3	179.1	-96.3	0	0	0	109.9	V19 K21 L32 L36 P47 H65 D66 F111	V19-F45 HydrophobicContact CB-CE2 4.3Å; V19-F45 HydrophobicContact CG1-CE2 4.33Å; K21-F45 HydrophobicContact CB-CD1 3.93Å; K21-F45 HydrophobicContact CB-CD2 4.33Å; K21-F45 HydrophobicContact CB-CE1 3.66Å; K21-F45 HydrophobicContact CB-CE2 4.09Å; K21-F45 HydrophobicContact CB-CG 4.26Å; K21-F45 HydrophobicContact CB-CZ 3.75Å; K21-F45 HydrophobicContact CD-CD1 4.06Å; K21-F45 HydrophobicContact CD-CE1 4.4Å; L32-F45 HydrophobicContact CB-CE1 4.33Å; L32-F45 HydrophobicContact CD2-CE1 4.1Å; L32-F45 HydrophobicContact CG-CE1 4.08Å; L32-F45 WeakPolarHBondContact O-CZ 3.47Å; L36-F45 HydrophobicContact CD1-CB 4.22Å; L36-F45 HydrophobicContact CD1-CD2 4.22Å; F45-P47 HydrophobicContact CD1-CG 4.49Å; F45-P47 HydrophobicContact CE1-CG 4.26Å; F45-P47 WeakPolarHBondContact O-CD 3.25Å; F45-H65 HydrophobicContact CB-CB 3.98Å; F45-H65 HydrophobicContact CD1-CB 3.92Å; F45-H65 HydrophobicContact CG-CB 4.44Å; F45-D66 PolarHBondContact N-OD1 3.37Å; F45-D66 VanDerWaalsContact N-OD1 3.17Å; F45-F111 HydrophobicContact CB-CE1 3.94Å; F45-F111 HydrophobicContact CD2-CD1 4.07Å; F45-F111 AromaticContact CD2-CE1 3.8Å; F45-F111 HydrophobicContact CD2-CE1 3.8Å; F45-F111 AromaticContact CG-CE1 3.94Å; F45-F111 HydrophobicContact CG-CE1 3.94Å
46	V	92.3	Very high	84.2	Confident	42 Å²	42	60.9 Å²	60.9	26%	0.255	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	112.3	-178	-176.3	0	0	0	0	109.1	V5 G34 T35 F37	V5-V46 HydrophobicContact CG1-CG2 3.76Å; V5-V46 HydrophobicContact CG2-CG2 3.94Å; G34-V46 CarbonylContact C-O 3.6Å; G34-V46 WeakPolarHBondContact CA-O 3.46Å; T35-V46 PolarHBondContact N-O 3.1Å; T35-V46 PolarHBondContact O-N 3.05Å; F37-V46 HydrophobicContact CD2-CG2 4.06Å; F37-V46 HydrophobicContact CE2-CB 4.11Å; F37-V46 HydrophobicContact CE2-CG2 3.75Å
47	P	91.7	Very high	83.1	Confident	25 Å²	25	63.2 Å²	63.2	16%	0.162	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	148.5	175.5	-23.5	35.1	0	0	0	111.9	L32 F45 D49 S50	L32-P47 HydrophobicContact CD1-CB 4.23Å; L32-P47 HydrophobicContact CD2-CB 3.92Å; L32-P47 HydrophobicContact CD2-CG 3.59Å; L32-P47 HydrophobicContact CG-CB 4.04Å; L32-P47 HydrophobicContact CG-CG 4.23Å; F45-P47 HydrophobicContact CD1-CG 4.49Å; F45-P47 HydrophobicContact CE1-CG 4.26Å; F45-P47 WeakPolarHBondContact O-CD 3.25Å; P47-D49 VanDerWaalsContact C-N 3.28Å; P47-D49 PolarHBondContact O-N 3.42Å; P47-S50 WeakPolarHBondContact O-CB 3.02Å; P47-S50 PolarHBondContact O-N 2.64Å; P47-S50 PolarHBondContact O-OG 3.05Å
48	Q	88.8	Confident	82.4	Confident	151 Å²	151	66.1 Å²	66.1	71%	0.706	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-36.2	-179	-176.4	170.3	-5.7	0	0	112.9	S33	S33-Q48 PolarHBondContact O-N 3.08Å
49	D	82.8	Confident	81.8	Confident	151 Å²	151	66.6 Å²	66.6	81%	0.807	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	19.4	-177.7	-57.7	-44.4	0	0	0	112.9	P47	P47-D49 VanDerWaalsContact C-N 3.28Å; P47-D49 PolarHBondContact O-N 3.42Å
50	S	76.5	Confident	81.6	Confident	53 Å²	53	69.3 Å²	69.3	37%	0.371	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-62.8	132.2	179.8	64.5	0	0	0	0	110.7	P47	P47-S50 WeakPolarHBondContact O-CB 3.02Å; P47-S50 PolarHBondContact O-N 2.64Å; P47-S50 PolarHBondContact O-OG 3.05Å
51	P	69.9	Low	81.6	Confident	118 Å²	118	66.7 Å²	66.7	77%	0.766	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-57.7	146.7	174	23.8	-31.7	0	0	0	110	A53	P51-A53 PolarHBondContact O-N 2.69Å
52	K	66.1	Low	81.6	Confident	205 Å²	205	67.6 Å²	67.6	89%	0.891	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-61.3	127.4	173.8	-71.3	-178.9	-178.8	173.1	0	108.1	D54	K52-D54 PolarHBondContact O-N 3.13Å
53	A	63.9	Low	81.3	Confident	81 Å²	81	68.2 Å²	68.2	67%	0.669	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-56.2	134.6	175	0	0	0	0	0	109.6	P51 D55	P51-A53 PolarHBondContact O-N 2.69Å; A53-D55 PolarHBondContact O-N 3Å
54	D	67.1	Low	80.8	Confident	105 Å²	105	71.8 Å²	71.8	56%	0.561	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-66.3	118.8	170	-177.8	-1.2	0	0	0	108.2	K52 N56 A57	K52-D54 PolarHBondContact O-N 3.13Å; D54-N56 PolarHBondContact O-N 3.23Å; D54-N56 VanDerWaalsContact O-N 3.1Å; D54-N56 PolarHBondContact OD1-N 3.01Å; D54-A57 HydrophobicContact CB-CB 4.16Å; D54-A57 PolarHBondContact O-N 2.88Å; D54-A57 VanDerWaalsContact O-N 3.07Å
55	D	64.1	Low	80.5	Confident	101 Å²	101	73.4 Å²	73.4	54%	0.54	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.3	-179	-76.7	-32.3	0	0	0	111.9	A53	A53-D55 PolarHBondContact O-N 3Å
56	N	68.8	Low	80.4	Confident	149 Å²	149	73.9 Å²	73.9	80%	0.797	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-3.2	178.8	-64.4	-31.8	0	0	0	114.4	D54	D54-N56 PolarHBondContact O-N 3.23Å; D54-N56 VanDerWaalsContact O-N 3.1Å; D54-N56 PolarHBondContact OD1-N 3.01Å
57	A	73.7	Confident	80.4	Confident	49 Å²	49	71.9 Å²	71.9	41%	0.405	40%	0.404	S	S	.	.	S	Bend	trans	-78.2	144.9	-179.6	0	0	0	0	0	112.5	R3 D54	R3-A57 PolarHBondContact NH1-O 2.68Å; D54-A57 HydrophobicContact CB-CB 4.16Å; D54-A57 PolarHBondContact O-N 2.88Å; D54-A57 VanDerWaalsContact O-N 3.07Å
58	D	80.6	Confident	80.4	Confident	82 Å²	82	70.7 Å²	70.7	44%	0.439	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-53.6	136.5	170.8	-81.1	1.5	0	0	0	110.2	I60 F157 R161	D58-I60 PolarHBondContact O-N 3.03Å; D58-F157 HydrophobicContact CB-CE2 4.38Å; D58-F157 HydrophobicContact CB-CZ 3.94Å; D58-F157 WeakPolarHBondContact OD1-CE2 3.34Å; D58-R161 IonicContact OD2-CZ 2.66Å; D58-R161 IonicContact OD2-NH1 3.1Å; D58-R161 PolarHBondContact OD2-NH1 3.01Å
59	P	83.7	Confident	80.5	Confident	10 Å²	10	63.9 Å²	63.9	7%	0.065	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-62.7	130	176.5	26.6	-34.4	0	0	0	111.2	L7 M154 F157	L7-P59 HydrophobicContact CD2-CB 4.04Å; P59-M154 HydrophobicContact CB-CE 4.14Å; P59-M154 HydrophobicContact CG-CE 3.99Å; P59-M154 HydrophobicContact CG-SD 4.19Å; P59-F157 VanDerWaalsContact CD-CZ 3.47Å; P59-F157 HydrophobicContact CG-CD1 3.91Å; P59-F157 HydrophobicContact CG-CE1 3.57Å; P59-F157 HydrophobicContact CG-CG 4.48Å; P59-F157 HydrophobicContact CG-CZ 3.93Å
60	I	88.1	Confident	80.6	Confident	57 Å²	57	57 Å²	57	29%	0.292	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-97	123.7	168.2	-58	170.5	0	0	0	107.4	D58 L62	D58-I60 PolarHBondContact O-N 3.03Å; I60-L62 VanDerWaalsContact CG2-O 3.3Å; I60-L62 WeakPolarHBondContact CG2-O 3.25Å; I60-L62 PolarHBondContact O-N 3.04Å
61	L	89.5	Confident	81.2	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	31%	0.313	C	S	.	.	S	Bend	trans	-63.4	-42.2	-174.1	-65.4	171.9	0	0	0	111.8	L7 F41 R42 A148 L149 M154 L451 F452 L523	L7-L61 HydrophobicContact CD1-CD2 3.77Å; L7-L61 HydrophobicContact CD2-CD2 4.49Å; F41-L61 WeakPolarHBondContact CE1-O 3.33Å; R42-L61 PolarHBondContact NH1-O 2.9Å; R42-L61 VanDerWaalsContact NH1-O 3.11Å; L61-A148 HydrophobicContact CD2-CB 4.5Å; L61-L149 HydrophobicContact CD1-CD2 4.23Å; L61-L149 HydrophobicContact CD2-CD2 3.82Å; L61-M154 HydrophobicContact CD2-CE 4.38Å; L61-L451 HydrophobicContact CD1-CD1 4.12Å; L61-F452 HydrophobicContact CD1-CE1 4.23Å; L61-F452 HydrophobicContact CD1-CZ 3.92Å; L61-L523 WeakPolarHBondContact CB-O 3.38Å; L61-L523 HydrophobicContact CD1-CB 4.15Å; L61-L523 HydrophobicContact CG-CB 4.48Å; L61-L523 WeakPolarHBondContact CG-O 3.15Å; L61-L523 PolarHBondContact N-O 3.32Å
62	L	89.4	Confident	82.2	Confident	20 Å²	20	49.1 Å²	49.1	11%	0.105	28%	0.277	C	S	.	.	S	Bend	trans	-128	120	178.2	-64.7	170.8	0	0	0	109.7	F41 R42 I60 D66 A68 L449	F41-L62 HydrophobicContact CE1-CD2 3.77Å; F41-L62 HydrophobicContact CE1-CG 4.44Å; F41-L62 HydrophobicContact CZ-CD2 3.97Å; F41-L62 HydrophobicContact CZ-CG 4.38Å; R42-L62 HydrophobicContact CB-CD2 4.02Å; I60-L62 VanDerWaalsContact CG2-O 3.3Å; I60-L62 WeakPolarHBondContact CG2-O 3.25Å; I60-L62 PolarHBondContact O-N 3.04Å; L62-D66 HydrophobicContact CB-CB 4.37Å; L62-D66 HydrophobicContact CD2-CB 4.19Å; L62-A68 HydrophobicContact CD1-CB 4Å; L62-A68 HydrophobicContact CD2-CB 4.07Å; L62-L449 HydrophobicContact CD1-CD1 3.63Å; L62-L449 HydrophobicContact CD1-CD2 3.81Å; L62-L449 HydrophobicContact CD1-CG 4.41Å
63	G	86.7	Confident	83.1	Confident	26 Å²	26	41 Å²	41	27%	0.268	24%	0.242	S	C	.	.			trans	-67.1	170.9	170.9	0	0	0	0	0	112.4	H65 D66	G63-H65 PolarHBondContact O-N 2.85Å; G63-D66 WeakPolarHBondContact CA-OD2 3.48Å; G63-D66 PolarHBondContact N-OD2 3.39Å; G63-D66 PolarHBondContact O-N 2.88Å
64	D	83.8	Confident	84.3	Confident	74 Å²	74	41 Å²	41	40%	0.396	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.6	-174.3	-60.6	-13.9	0	0	0	114.4	R529	D64-R529 IonicContact OD1-CZ 2.75Å; D64-R529 IonicContact OD1-NE 3.54Å; D64-R529 PolarHBondContact OD1-NE 3.43Å; D64-R529 IonicContact OD1-NH2 3.48Å; D64-R529 PolarHBondContact OD1-NH2 2.96Å
65	H	88.7	Confident	85.5	Confident	34 Å²	34	36 Å²	36	16%	0.157	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	11	179.8	-53.1	-34.6	0	0	0	112.6	K21 E27 L32 F45 G63	K21-H65 HydrophobicContact CD-CB 4.13Å; K21-H65 PolarHBondContact NZ-ND1 3.15Å; E27-H65 IonicContact OE1-CE1 2.63Å; E27-H65 IonicContact OE1-ND1 3.5Å; L32-H65 WeakPolarHBondContact CD2-NE2 3.1Å; F45-H65 HydrophobicContact CB-CB 3.98Å; F45-H65 HydrophobicContact CD1-CB 3.92Å; F45-H65 HydrophobicContact CG-CB 4.44Å; G63-H65 PolarHBondContact O-N 2.85Å
66	D	91.8	Very high	86.9	Confident	15 Å²	15	31.2 Å²	31.2	8%	0.08	18%	0.175	C	C	.	.			trans	-92.5	152	-178.1	-62.5	-10.8	0	0	0	111.2	R42 V43 A44 F45 L62 G63	R42-D66 IonicContact CZ-OD2 3.87Å; R42-D66 IonicContact NE-OD2 3.32Å; R42-D66 IonicContact NH1-OD2 2.71Å; R42-D66 PolarHBondContact NH1-OD2 3.38Å; V43-D66 WeakPolarHBondContact O-CA 3.39Å; A44-D66 WeakPolarHBondContact CA-OD1 3.42Å; A44-D66 WeakPolarHBondContact CB-OD1 3.28Å; F45-D66 PolarHBondContact N-OD1 3.37Å; F45-D66 VanDerWaalsContact N-OD1 3.17Å; L62-D66 HydrophobicContact CB-CB 4.37Å; L62-D66 HydrophobicContact CD2-CB 4.19Å; G63-D66 WeakPolarHBondContact CA-OD2 3.48Å; G63-D66 PolarHBondContact N-OD2 3.39Å; G63-D66 PolarHBondContact O-N 2.88Å
67	I	92.5	Very high	88.1	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	117.3	179.1	-53	155.8	0	0	0	106.9	R42 V43 L69 I72 L101 M109 F111	R42-I67 CarbonylContact C-O 3.55Å; R42-I67 VanDerWaalsContact CA-O 3.26Å; R42-I67 WeakPolarHBondContact CA-O 3.38Å; R42-I67 VanDerWaalsContact CB-O 3.28Å; R42-I67 WeakPolarHBondContact CB-O 3.29Å; V43-I67 PolarHBondContact N-O 2.66Å; V43-I67 PolarHBondContact O-N 2.81Å; I67-L69 PolarHBondContact O-N 3.04Å; I67-I72 HydrophobicContact CG2-CD1 4.26Å; I67-I72 HydrophobicContact CG2-CG1 3.68Å; I67-L101 HydrophobicContact CD1-CB 4.43Å; I67-L101 HydrophobicContact CD1-CD1 3.71Å; I67-M109 HydrophobicContact CD1-CB 3.52Å; I67-M109 HydrophobicContact CD1-CG 3.39Å; I67-M109 HydrophobicContact CD1-SD 4.05Å; I67-M109 HydrophobicContact CG1-CG 3.92Å; I67-M109 HydrophobicContact CG1-SD 4.24Å; I67-F111 HydrophobicContact CD1-CE2 4.22Å; I67-F111 HydrophobicContact CD1-CZ 4.27Å
68	A	91.8	Very high	89	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	135.7	169.7	0	0	0	0	0	110	L62 A70 S71 F144 L449	L62-A68 HydrophobicContact CD1-CB 4Å; L62-A68 HydrophobicContact CD2-CB 4.07Å; A68-A70 PolarHBondContact O-N 3.41Å; A68-S71 WeakPolarHBondContact O-CB 3.4Å; A68-S71 PolarHBondContact O-N 2.98Å; A68-F144 HydrophobicContact CB-CZ 4.02Å; A68-L449 HydrophobicContact CB-CD2 3.33Å
69	L	90.3	Very high	89.5	Confident	8 Å²	8	19.7 Å²	19.7	4%	0.042	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-59	-35.2	179.2	-71.6	172.7	0	0	0	112	T39 F41 V43 I67 S71 I72 T132	T39-L69 WeakPolarHBondContact O-CD1 3.4Å; F41-L69 WeakPolarHBondContact O-CB 3.46Å; F41-L69 WeakPolarHBondContact O-CG 3.39Å; F41-L69 PolarHBondContact O-N 3.15Å; V43-L69 HydrophobicContact CG2-CD2 3.87Å; I67-L69 PolarHBondContact O-N 3.04Å; L69-S71 PolarHBondContact O-N 2.77Å; L69-I72 HydrophobicContact CD2-CD1 4.01Å; L69-I72 PolarHBondContact O-N 2.89Å; L69-T132 HydrophobicContact CD1-CG2 3.44Å; L69-T132 VanDerWaalsContact CD1-CG2 3.44Å
70	A	86.6	Confident	89.6	Confident	8 Å²	8	23.3 Å²	23.3	7%	0.066	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-61.3	-25.8	176.7	0	0	0	0	0	113.9	A68 L136 F144 P450	A68-A70 PolarHBondContact O-N 3.41Å; A70-L136 HydrophobicContact CB-CD1 4.05Å; A70-F144 HydrophobicContact CB-CD1 4.31Å; A70-F144 HydrophobicContact CB-CD2 4.1Å; A70-F144 HydrophobicContact CB-CE1 3.9Å; A70-F144 HydrophobicContact CB-CE2 3.69Å; A70-F144 HydrophobicContact CB-CG 4.39Å; A70-F144 HydrophobicContact CB-CZ 3.58Å; A70-P450 HydrophobicContact CB-CG 3.86Å
71	S	89.1	Confident	89.5	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.007	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-84.6	-16.6	-179.7	-54.3	0	0	0	0	112.7	A68 L69 C103 R104 L449	A68-S71 WeakPolarHBondContact O-CB 3.4Å; A68-S71 PolarHBondContact O-N 2.98Å; L69-S71 PolarHBondContact O-N 2.77Å; S71-C103 CarbonylContact O-C 3.53Å; S71-C103 WeakPolarHBondContact O-CA 3.49Å; S71-R104 PolarHBondContact O-N 3.12Å; S71-L449 WeakPolarHBondContact OG-CD2 3.4Å
72	I	89.8	Confident	89.4	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.2	179.3	-57.6	176.5	0	0	0	109.5	V43 I67 L69 V75 L101 I129 Y133	V43-I72 HydrophobicContact CG2-CD1 3.82Å; I67-I72 HydrophobicContact CG2-CD1 4.26Å; I67-I72 HydrophobicContact CG2-CG1 3.68Å; L69-I72 HydrophobicContact CD2-CD1 4.01Å; L69-I72 PolarHBondContact O-N 2.89Å; I72-V75 HydrophobicContact CG2-CG2 3.83Å; I72-L101 HydrophobicContact CD1-CD1 4.19Å; I72-I129 HydrophobicContact CD1-CG2 4.16Å; I72-Y133 HydrophobicContact CB-CD2 3.76Å; I72-Y133 HydrophobicContact CB-CG 4.17Å; I72-Y133 HydrophobicContact CG2-CD2 3.5Å; I72-Y133 HydrophobicContact CG2-CE2 3.91Å; I72-Y133 HydrophobicContact CG2-CG 3.91Å; I72-Y133 WeakPolarHBondContact O-CD2 3.44Å
73	E	86.3	Confident	89.5	Confident	34 Å²	34	38.5 Å²	38.5	16%	0.159	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-44.5	175.2	-179.3	178.3	140.3	0	0	112.8	Y102 R104 Y133 R298	E73-Y102 PolarHBondContact N-O 2.92Å; E73-R104 HydrophobicContact CB-CG 4.4Å; E73-Y133 WeakPolarHBondContact O-CE2 3.42Å; E73-R298 VanDerWaalsContact CD-NH1 3.25Å; E73-R298 IonicContact OE1-CZ 3.63Å; E73-R298 IonicContact OE1-NH1 2.99Å; E73-R298 PolarHBondContact OE1-NH1 3.04Å; E73-R298 IonicContact OE1-NH2 3.78Å; E73-R298 PolarHBondContact OE1-NH2 3.39Å; E73-R298 IonicContact OE2-CZ 3.13Å; E73-R298 IonicContact OE2-NH1 2.78Å; E73-R298 PolarHBondContact OE2-NH1 3.03Å; E73-R298 IonicContact OE2-NH2 3.83Å; E73-R298 PolarHBondContact OE2-NH2 3.15Å
74	K	88.8	Confident	89.6	Confident	81 Å²	81	40.3 Å²	40.3	35%	0.352	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.2	-178.7	-49	-177.4	-177.4	168.4	0	109.9	L85 Y102 I305	K74-L85 HydrophobicContact CB-CD1 3.83Å; K74-L85 HydrophobicContact CG-CD1 4.37Å; K74-Y102 HydrophobicContact CB-CD2 4.15Å; K74-Y102 HydrophobicContact CB-CG 4.38Å; K74-Y102 PolarHBondContact N-O 3.47Å; K74-Y102 PolarHBondContact O-N 3.42Å; K74-I305 HydrophobicContact CB-CD1 4.47Å; K74-I305 HydrophobicContact CD-CD1 3.77Å
75	V	92.4	Very high	90	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.1	172.4	-178.5	0	0	0	0	107.5	I72 V86 L99 L101 I129 A130 Y133	I72-V75 HydrophobicContact CG2-CG2 3.83Å; V75-V86 HydrophobicContact CB-CB 4.42Å; V75-V86 HydrophobicContact CG1-CB 4.18Å; V75-V86 HydrophobicContact CG1-CG2 4.49Å; V75-V86 PolarHBondContact O-N 3.44Å; V75-L99 HydrophobicContact CG1-CD1 3.73Å; V75-L101 HydrophobicContact CB-CD2 4.24Å; V75-L101 HydrophobicContact CG1-CD2 3.89Å; V75-L101 HydrophobicContact CG2-CD2 3.94Å; V75-I129 HydrophobicContact CG1-CG2 4.45Å; V75-I129 HydrophobicContact CG2-CG2 3.96Å; V75-A130 HydrophobicContact CG1-CB 4.42Å; V75-Y133 HydrophobicContact CB-CE1 4.17Å; V75-Y133 HydrophobicContact CG2-CD1 3.64Å; V75-Y133 HydrophobicContact CG2-CE1 3.34Å; V75-Y133 HydrophobicContact CG2-CE2 4.3Å; V75-Y133 HydrophobicContact CG2-CG 4.2Å
76	V	92.4	Very high	90.1	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.5	-176.1	-179.2	0	0	0	0	109.5	V78 T83 K84 L85 V100 Y102 I305	V76-V78 HydrophobicContact CG1-CG2 4.11Å; V76-T83 HydrophobicContact CG1-CG2 3.43Å; V76-T83 VanDerWaalsContact CG1-CG2 3.43Å; V76-K84 WeakPolarHBondContact CA-O 3.44Å; V76-L85 HydrophobicContact CG2-CD1 4.23Å; V76-V100 HydrophobicContact CB-CB 4.22Å; V76-V100 PolarHBondContact N-O 2.75Å; V76-V100 PolarHBondContact O-N 3.1Å; V76-Y102 HydrophobicContact CB-CE2 4.39Å; V76-Y102 HydrophobicContact CG2-CD2 4Å; V76-Y102 HydrophobicContact CG2-CE2 3.75Å; V76-I305 HydrophobicContact CB-CG2 4.43Å; V76-I305 HydrophobicContact CG1-CG2 3.63Å; V76-I305 HydrophobicContact CG2-CD1 3.5Å; V76-I305 HydrophobicContact CG2-CG1 3.98Å; V76-I305 HydrophobicContact CG2-CG2 3.91Å
77	A	94.1	Very high	89.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.1	170.6	0	0	0	0	0	109.2	T83 K84 V86 L92 F94 P96 T126	A77-T83 CarbonylContact O-C 3.21Å; A77-T83 WeakPolarHBondContact O-CA 3.44Å; A77-K84 PolarHBondContact N-O 2.98Å; A77-K84 PolarHBondContact O-N 3.34Å; A77-V86 HydrophobicContact CB-CG2 3.59Å; A77-L92 HydrophobicContact CB-CD2 3.86Å; A77-F94 HydrophobicContact CB-CE2 4.42Å; A77-F94 HydrophobicContact CB-CZ 4.12Å; A77-P96 HydrophobicContact CB-CB 4.07Å; A77-P96 HydrophobicContact CB-CG 3.8Å; A77-T126 HydrophobicContact CB-CG2 4.27Å
78	V	92.9	Very high	89.3	Confident	32 Å²	32	43 Å²	43	19%	0.194	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.4	176.3	-176.5	0	0	0	0	107.7	V76 T83 P96 E97 E98 V100	V76-V78 HydrophobicContact CG1-CG2 4.11Å; V78-T83 HydrophobicContact CG2-CG2 4.09Å; V78-P96 CarbonylContact O-C 3.58Å; V78-P96 WeakPolarHBondContact O-CA 3.28Å; V78-E97 PolarHBondContact O-N 3.48Å; V78-E98 HydrophobicContact CB-CB 4.07Å; V78-E98 PolarHBondContact N-O 3.03Å; V78-E98 PolarHBondContact O-N 3.35Å; V78-V100 HydrophobicContact CG2-CG2 4.09Å
79	G	90.9	Very high	89	Confident	6 Å²	6	50.6 Å²	50.6	6%	0.062	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	-174.5	171.5	0	0	0	0	0	110.7	N81 R82	G79-N81 VanDerWaalsContact C-N 3.28Å; G79-N81 PolarHBondContact O-N 2.84Å; G79-N81 VanDerWaalsContact O-N 3.11Å; G79-R82 PolarHBondContact N-O 2.82Å
80	P	85.7	Confident	88.7	Confident	85 Å²	85	51.1 Å²	51.1	55%	0.552	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.5	-168.4	-21.4	25.5	0	0	0	114.4	E97	P80-E97 HydrophobicContact CG-CG 4.37Å; P80-E97 WeakPolarHBondContact CG-OE1 3.28Å
81	N	86.7	Confident	88.6	Confident	158 Å²	158	54 Å²	54	85%	0.845	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.7	11.6	-175.4	-66.1	-42.4	0	0	0	112.6	G79	G79-N81 VanDerWaalsContact C-N 3.28Å; G79-N81 PolarHBondContact O-N 2.84Å; G79-N81 VanDerWaalsContact O-N 3.11Å
82	R	87.8	Confident	88.4	Confident	164 Å²	164	55 Å²	55	62%	0.619	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.6	133.3	-172.7	-64.6	-175.1	-179.3	175.1	1	110.7	G79 F94	G79-R82 PolarHBondContact N-O 2.82Å; R82-F94 HydrophobicContact CB-CE1 4.28Å
83	T	90	Very high	88.3	Confident	78 Å²	78	63.3 Å²	63.3	48%	0.479	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.2	170.3	-59.9	0	0	0	0	108.8	V76 A77 V78 I305	V76-T83 HydrophobicContact CG1-CG2 3.43Å; V76-T83 VanDerWaalsContact CG1-CG2 3.43Å; A77-T83 CarbonylContact O-C 3.21Å; A77-T83 WeakPolarHBondContact O-CA 3.44Å; V78-T83 HydrophobicContact CG2-CG2 4.09Å; T83-I305 HydrophobicContact CG2-CG2 3.65Å
84	K	90.4	Very high	88.6	Confident	63 Å²	63	63.4 Å²	63.4	27%	0.274	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	125.6	-179.2	-179.6	164	179.9	170.5	0	111.5	V76 A77 V86 S91 L92 F94	V76-K84 WeakPolarHBondContact CA-O 3.44Å; A77-K84 PolarHBondContact N-O 2.98Å; A77-K84 PolarHBondContact O-N 3.34Å; K84-V86 PolarHBondContact O-N 2.82Å; K84-S91 PolarHBondContact NZ-O 3.45Å; K84-L92 HydrophobicContact CD-CD2 4.25Å; K84-F94 HydrophobicContact CB-CE1 4.08Å; K84-F94 HydrophobicContact CB-CZ 4.19Å
85	L	91	Very high	88.7	Confident	88 Å²	88	61.4 Å²	61.4	46%	0.461	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	121.4	162.2	-178.5	68.3	0	0	0	109	K74 V76	K74-L85 HydrophobicContact CB-CD1 3.83Å; K74-L85 HydrophobicContact CG-CD1 4.37Å; V76-L85 HydrophobicContact CG2-CD1 4.23Å
86	V	90.1	Very high	88.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.326	C	S	.	.			trans	-96.9	121.9	-176	-167	0	0	0	0	109.6	V75 A77 K84 L92 T126 Y127 A130	V75-V86 HydrophobicContact CB-CB 4.42Å; V75-V86 HydrophobicContact CG1-CB 4.18Å; V75-V86 HydrophobicContact CG1-CG2 4.49Å; V75-V86 PolarHBondContact O-N 3.44Å; A77-V86 HydrophobicContact CB-CG2 3.59Å; K84-V86 PolarHBondContact O-N 2.82Å; V86-L92 HydrophobicContact CG2-CD2 4.14Å; V86-T126 HydrophobicContact CG1-CG2 4.33Å; V86-T126 HydrophobicContact CG2-CG2 3.99Å; V86-Y127 HydrophobicContact CG1-CD1 4.36Å; V86-Y127 HydrophobicContact CG1-CE1 4.35Å; V86-A130 HydrophobicContact CB-CB 4.12Å; V86-A130 HydrophobicContact CG1-CB 3.54Å
87	T	87.4	Confident	89	Confident	55 Å²	55	66.3 Å²	66.3	34%	0.337	35%	0.348	S	S	.	.			trans	-116.9	165.8	173.8	66.9	0	0	0	0	109.7	N89 S90	T87-N89 PolarHBondContact O-N 3.3Å; T87-N89 VanDerWaalsContact O-N 3.09Å; T87-S90 PolarHBondContact N-OG 3.23Å; T87-S90 WeakPolarHBondContact O-CB 3.22Å; T87-S90 PolarHBondContact O-N 2.76Å; T87-S90 PolarHBondContact O-OG 2.77Å; T87-S90 PolarHBondContact OG1-OG 3.02Å
88	P	81	Confident	89	Confident	37 Å²	37	68.5 Å²	68.5	24%	0.24	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31	179.5	-26.6	33.9	0	0	0	114.1	S90 K131 Q134	P88-S90 VanDerWaalsContact C-N 3.35Å; P88-K131 HydrophobicContact CB-CG 4.16Å; P88-Q134 HydrophobicContact CG-CG 3.71Å
89	N	84.5	Confident	89.1	Confident	160 Å²	160	67 Å²	67	86%	0.856	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	2	-177.8	-59.5	-22.4	0	0	0	112.2	T87	T87-N89 PolarHBondContact O-N 3.3Å; T87-N89 VanDerWaalsContact O-N 3.09Å
90	S	84.7	Confident	89.3	Confident	19 Å²	19	67.1 Å²	67.1	13%	0.133	35%	0.349	C	S	.	.			trans	-72.4	144.6	-179	-73.9	0	0	0	0	112.2	T87 P88 Y127	T87-S90 PolarHBondContact N-OG 3.23Å; T87-S90 WeakPolarHBondContact O-CB 3.22Å; T87-S90 PolarHBondContact O-N 2.76Å; T87-S90 PolarHBondContact O-OG 2.77Å; T87-S90 PolarHBondContact OG1-OG 3.02Å; P88-S90 VanDerWaalsContact C-N 3.35Å; S90-Y127 WeakPolarHBondContact O-CE1 3.28Å; S90-Y127 PolarHBondContact O-OH 3.27Å
91	S	83.9	Confident	89.6	Confident	69 Å²	69	63.1 Å²	63.1	48%	0.483	32%	0.322	S	S	.	.			trans	-103.9	119.5	162.3	54.6	0	0	0	0	111.1	K84 Y127	K84-S91 PolarHBondContact NZ-O 3.45Å; S91-Y127 VanDerWaalsContact C-OH 3.23Å; S91-Y127 WeakPolarHBondContact CA-OH 3.37Å
92	L	85.5	Confident	89.8	Confident	21 Å²	21	57.1 Å²	57.1	11%	0.11	29%	0.288	C	S	.	.			trans	-86.1	112.4	174.9	-74.1	174.5	0	0	0	106.5	A77 K84 V86 F94 P96 T126 Y127	A77-L92 HydrophobicContact CB-CD2 3.86Å; K84-L92 HydrophobicContact CD-CD2 4.25Å; V86-L92 HydrophobicContact CG2-CD2 4.14Å; L92-F94 VanDerWaalsContact C-N 3.3Å; L92-F94 HydrophobicContact CD2-CE1 4.33Å; L92-F94 HydrophobicContact CD2-CZ 4.43Å; L92-P96 HydrophobicContact CD1-CG 4.3Å; L92-T126 HydrophobicContact CD1-CG2 3.78Å; L92-Y127 HydrophobicContact CB-CE2 3.94Å; L92-Y127 HydrophobicContact CD1-CD2 4.13Å; L92-Y127 HydrophobicContact CD1-CE1 4.38Å; L92-Y127 HydrophobicContact CD1-CE2 3.78Å; L92-Y127 HydrophobicContact CG-CE1 4.29Å; L92-Y127 HydrophobicContact CG-CE2 3.98Å; L92-Y127 PolarHBondContact N-OH 3.4Å
93	K	87.4	Confident	90	Very high	177 Å²	177	49.3 Å²	49.3	77%	0.77	26%	0.259	S	S	*	.			trans	-94.7	11.6	178.8	-61.1	-175.6	178.4	-177.9	0	112.3
94	F	92	Very high	89.8	Confident	37 Å²	37	46.8 Å²	46.8	16%	0.162	24%	0.241	C	C	.	.	S	Bend	trans	-151.8	154.4	-178.9	68.6	-86.6	0	0	0	108.6	A77 R82 K84 L92 P96	A77-F94 HydrophobicContact CB-CE2 4.42Å; A77-F94 HydrophobicContact CB-CZ 4.12Å; R82-F94 HydrophobicContact CB-CE1 4.28Å; K84-F94 HydrophobicContact CB-CE1 4.08Å; K84-F94 HydrophobicContact CB-CZ 4.19Å; L92-F94 VanDerWaalsContact C-N 3.3Å; L92-F94 HydrophobicContact CD2-CE1 4.33Å; L92-F94 HydrophobicContact CD2-CZ 4.43Å; F94-P96 WeakPolarHBondContact O-CD 3.21Å
95	T	92.6	Very high	89.6	Confident	38 Å²	38	44.1 Å²	44.1	23%	0.233	23%	0.229	C	C	.	.			trans	-81.1	120.7	171.4	-51.6	0	0	0	0	108.8	D119 V122	T95-D119 HydrophobicContact CG2-CB 3.82Å; T95-D119 PolarHBondContact OG1-OD2 3.13Å; T95-V122 HydrophobicContact CG2-CB 4.03Å; T95-V122 HydrophobicContact CG2-CG1 4.15Å; T95-V122 HydrophobicContact CG2-CG2 4.45Å
96	P	94.4	Very high	89.5	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.019	22%	0.219	C	C	.	.			trans	-59.6	134.7	174.7	-19.6	29.2	0	0	0	111.7	A77 V78 L92 F94 F113 V122 T126	A77-P96 HydrophobicContact CB-CB 4.07Å; A77-P96 HydrophobicContact CB-CG 3.8Å; V78-P96 CarbonylContact O-C 3.58Å; V78-P96 WeakPolarHBondContact O-CA 3.28Å; L92-P96 HydrophobicContact CD1-CG 4.3Å; F94-P96 WeakPolarHBondContact O-CD 3.21Å; P96-F113 HydrophobicContact CB-CE2 4.36Å; P96-V122 HydrophobicContact CB-CG1 4.06Å; P96-V122 HydrophobicContact CG-CG1 4.1Å; P96-V122 WeakPolarHBondContact O-CG1 3.31Å; P96-T126 HydrophobicContact CG-CG2 4.45Å
97	E	95	Very high	89.4	Confident	103 Å²	103	45.5 Å²	45.5	48%	0.481	23%	0.231	S	C	.	.	S	Bend	trans	-86.3	-33.7	166.4	-67.2	-175.3	155.2	0	0	110.2	V78 P80 L112 F113	V78-E97 PolarHBondContact O-N 3.48Å; P80-E97 HydrophobicContact CG-CG 4.37Å; P80-E97 WeakPolarHBondContact CG-OE1 3.28Å; E97-L112 WeakPolarHBondContact O-CD1 3.39Å; E97-F113 WeakPolarHBondContact O-CD2 3.17Å; E97-F113 PolarHBondContact O-N 2.9Å
98	E	94.8	Very high	89.5	Confident	46 Å²	46	45.3 Å²	45.3	22%	0.215	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	140.1	178.1	172.2	-178.8	-163	0	0	111.1	V78 V100 C110 F111 L112	V78-E98 HydrophobicContact CB-CB 4.07Å; V78-E98 PolarHBondContact N-O 3.03Å; V78-E98 PolarHBondContact O-N 3.35Å; E98-V100 HydrophobicContact CG-CG2 3.76Å; E98-C110 WeakPolarHBondContact OE1-CB 3.36Å; E98-C110 PolarHBondContact OE1-SG 3.23Å; E98-C110 VanDerWaalsContact OE1-SG 3.36Å; E98-F111 CarbonylContact C-O 3.57Å; E98-F111 VanDerWaalsContact CA-O 3.27Å; E98-F111 WeakPolarHBondContact CA-O 3.44Å; E98-L112 HydrophobicContact CB-CD1 4.34Å
99	L	95.5	Very high	90	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.5	170.4	175	68.1	0	0	0	108.8	L36 V75 L101 F111 F113 T126 I129	L36-L99 HydrophobicContact CD2-CD2 4.14Å; V75-L99 HydrophobicContact CG1-CD1 3.73Å; L99-L101 HydrophobicContact CD1-CD2 4.1Å; L99-L101 HydrophobicContact CD2-CD2 4.35Å; L99-L101 HydrophobicContact CG-CD2 4.08Å; L99-L101 HydrophobicContact CG-CG 4.47Å; L99-F111 HydrophobicContact CB-CB 4.33Å; L99-F111 PolarHBondContact N-O 3.17Å; L99-F111 PolarHBondContact O-N 3.32Å; L99-F113 HydrophobicContact CB-CE2 3.66Å; L99-F113 HydrophobicContact CB-CZ 3.8Å; L99-F113 HydrophobicContact CD2-CZ 4.24Å; L99-T126 HydrophobicContact CD1-CG2 3.97Å; L99-I129 HydrophobicContact CD2-CD1 3.79Å
100	V	93.9	Very high	90.5	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.055	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.9	178.8	-170.7	0	0	0	0	109.8	V76 V78 E98 Y102 V108 M109	V76-V100 HydrophobicContact CB-CB 4.22Å; V76-V100 PolarHBondContact N-O 2.75Å; V76-V100 PolarHBondContact O-N 3.1Å; V78-V100 HydrophobicContact CG2-CG2 4.09Å; E98-V100 HydrophobicContact CG-CG2 3.76Å; V100-Y102 HydrophobicContact CB-CE2 4.18Å; V100-Y102 HydrophobicContact CG1-CD2 4.09Å; V100-Y102 HydrophobicContact CG1-CE2 3.5Å; V100-V108 HydrophobicContact CG1-CG1 3.43Å; V100-V108 VanDerWaalsContact CG1-CG1 3.43Å; V100-M109 WeakPolarHBondContact CA-O 3.4Å
101	L	93.6	Very high	91	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.1	177.4	-52.5	-177.8	0	0	0	109.5	V43 I67 I72 V75 L99 V108 M109 F111 I129	V43-L101 HydrophobicContact CB-CD1 4.42Å; V43-L101 HydrophobicContact CG1-CD1 4.19Å; V43-L101 HydrophobicContact CG2-CD1 4.28Å; I67-L101 HydrophobicContact CD1-CB 4.43Å; I67-L101 HydrophobicContact CD1-CD1 3.71Å; I72-L101 HydrophobicContact CD1-CD1 4.19Å; V75-L101 HydrophobicContact CB-CD2 4.24Å; V75-L101 HydrophobicContact CG1-CD2 3.89Å; V75-L101 HydrophobicContact CG2-CD2 3.94Å; L99-L101 HydrophobicContact CD1-CD2 4.1Å; L99-L101 HydrophobicContact CD2-CD2 4.35Å; L99-L101 HydrophobicContact CG-CD2 4.08Å; L99-L101 HydrophobicContact CG-CG 4.47Å; L101-V108 WeakPolarHBondContact O-CA 3.39Å; L101-M109 HydrophobicContact CB-CB 4.31Å; L101-M109 PolarHBondContact N-O 2.72Å; L101-M109 PolarHBondContact O-N 3.48Å; L101-F111 HydrophobicContact CD1-CE2 3.9Å; L101-F111 HydrophobicContact CG-CE2 4.32Å; L101-I129 HydrophobicContact CD2-CG2 4.13Å
102	Y	91.1	Very high	91.6	Very high	33 Å²	33	35.3 Å²	35.3	13%	0.129	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.7	173.6	-67	-101	0	0	0	109	E73 K74 V76 V100 V108 I305	E73-Y102 PolarHBondContact N-O 2.92Å; K74-Y102 HydrophobicContact CB-CD2 4.15Å; K74-Y102 HydrophobicContact CB-CG 4.38Å; K74-Y102 PolarHBondContact N-O 3.47Å; K74-Y102 PolarHBondContact O-N 3.42Å; V76-Y102 HydrophobicContact CB-CE2 4.39Å; V76-Y102 HydrophobicContact CG2-CD2 4Å; V76-Y102 HydrophobicContact CG2-CE2 3.75Å; V100-Y102 HydrophobicContact CB-CE2 4.18Å; V100-Y102 HydrophobicContact CG1-CD2 4.09Å; V100-Y102 HydrophobicContact CG1-CE2 3.5Å; Y102-V108 HydrophobicContact CD1-CG1 4.47Å; Y102-V108 HydrophobicContact CD1-CG2 3.73Å; Y102-V108 HydrophobicContact CE1-CG1 4.26Å; Y102-V108 HydrophobicContact CE1-CG2 3.88Å; Y102-I305 HydrophobicContact CD2-CD1 3.89Å; Y102-I305 HydrophobicContact CD2-CG1 4.34Å; Y102-I305 HydrophobicContact CE1-CD1 4.44Å; Y102-I305 HydrophobicContact CE1-CG1 4.2Å; Y102-I305 HydrophobicContact CE2-CD1 3.54Å; Y102-I305 HydrophobicContact CE2-CG1 3.49Å; Y102-I305 VanDerWaalsContact CE2-CG1 3.49Å; Y102-I305 HydrophobicContact CG-CD1 4.49Å; Y102-I305 VanDerWaalsContact CZ-CG1 3.41Å; Y102-I305 VanDerWaalsContact OH-CG1 3.29Å; Y102-I305 WeakPolarHBondContact OH-CG1 3.35Å
103	C	90.2	Very high	92.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	159.4	-178.2	-57.3	0	0	0	0	111.4	S71 D105 R107 R298	S71-C103 CarbonylContact O-C 3.53Å; S71-C103 WeakPolarHBondContact O-CA 3.49Å; C103-D105 WeakPolarHBondContact CB-OD1 3.17Å; C103-D105 PolarHBondContact O-N 3.07Å; C103-R107 HydrophobicContact CB-CB 4.19Å; C103-R107 WeakPolarHBondContact CB-O 3.31Å; C103-R107 PolarHBondContact N-O 3.08Å; C103-R298 PolarHBondContact O-NH2 3.37Å
104	R	86.2	Confident	92.4	Very high	25 Å²	25	29.3 Å²	29.3	9%	0.094	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-29.7	177.1	-66.7	-172.5	-171.9	-145.4	4.5	112.6	S71 E73 M106 N402 Y403 R405	S71-R104 PolarHBondContact O-N 3.12Å; E73-R104 HydrophobicContact CB-CG 4.4Å; R104-M106 PolarHBondContact O-N 3.36Å; R104-N402 PolarHBondContact NH1-O 2.5Å; R104-Y403 PolarHBondContact NH2-O 2.78Å; R104-R405 VanDerWaalsContact NE-NH2 3.19Å
105	D	87	Confident	92.3	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.037	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	24.3	-178.7	59.1	13.9	0	0	0	113.8	C103 R107	C103-D105 WeakPolarHBondContact CB-OD1 3.17Å; C103-D105 PolarHBondContact O-N 3.07Å; D105-R107 PolarHBondContact O-N 3.47Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 VanDerWaalsContact OD1-CB 3.3Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 WeakPolarHBondContact OD1-CG 3.14Å; D105-R107 PolarHBondContact OD1-N 2.7Å; D105-R107 VanDerWaalsContact OD1-N 3.13Å; D105-R107 IonicContact OD1-NE 2.71Å; D105-R107 PolarHBondContact OD1-NE 2.7Å; D105-R107 IonicContact OD2-CZ 2.65Å; D105-R107 IonicContact OD2-NE 2.74Å; D105-R107 PolarHBondContact OD2-NE 3.11Å; D105-R107 IonicContact OD2-NH2 3.22Å; D105-R107 PolarHBondContact OD2-NH2 3.34Å
106	M	88.4	Confident	92.3	Very high	49 Å²	49	43.7 Å²	43.7	24%	0.241	20%	0.202	C	C	.	.	S	Bend	trans	66.2	5.8	-178.4	-61.7	-81.1	-79.1	0	0	115.6	R104 R298 C301 L302	R104-M106 PolarHBondContact O-N 3.36Å; M106-R298 HydrophobicContact CE-CB 4.08Å; M106-R298 HydrophobicContact CE-CG 4.31Å; M106-R298 HydrophobicContact SD-CB 3.54Å; M106-R298 VanDerWaalsContact SD-CB 3.54Å; M106-R298 WeakPolarHBondContact SD-CD 3.46Å; M106-R298 HydrophobicContact SD-CG 3.31Å; M106-R298 WeakPolarHBondContact SD-CG 3.27Å; M106-C301 HydrophobicContact CE-CB 3.92Å; M106-L302 HydrophobicContact CE-CG 4.45Å; M106-L302 HydrophobicContact SD-CD1 3.93Å; M106-L302 HydrophobicContact SD-CG 4.28Å
107	R	88.2	Confident	92.2	Very high	67 Å²	67	43.7 Å²	43.7	25%	0.253	20%	0.201	S	C	.	.			trans	-80.7	143	174.5	-61.5	-175.9	-65.1	173.5	-5.8	112	C103 D105 D445	C103-R107 HydrophobicContact CB-CB 4.19Å; C103-R107 WeakPolarHBondContact CB-O 3.31Å; C103-R107 PolarHBondContact N-O 3.08Å; D105-R107 PolarHBondContact O-N 3.47Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 VanDerWaalsContact OD1-CB 3.3Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 WeakPolarHBondContact OD1-CG 3.14Å; D105-R107 PolarHBondContact OD1-N 2.7Å; D105-R107 VanDerWaalsContact OD1-N 3.13Å; D105-R107 IonicContact OD1-NE 2.71Å; D105-R107 PolarHBondContact OD1-NE 2.7Å; D105-R107 IonicContact OD2-CZ 2.65Å; D105-R107 IonicContact OD2-NE 2.74Å; D105-R107 PolarHBondContact OD2-NE 3.11Å; D105-R107 IonicContact OD2-NH2 3.22Å; D105-R107 PolarHBondContact OD2-NH2 3.34Å; R107-D445 IonicContact CZ-OD2 2.94Å; R107-D445 IonicContact NH1-OD2 3.05Å
108	V	90.3	Very high	92.2	Very high	52 Å²	52	41.5 Å²	41.5	32%	0.315	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.7	172.4	-176.8	0	0	0	0	108.6	V100 L101 Y102 L302	V100-V108 HydrophobicContact CG1-CG1 3.43Å; V100-V108 VanDerWaalsContact CG1-CG1 3.43Å; L101-V108 WeakPolarHBondContact O-CA 3.39Å; Y102-V108 HydrophobicContact CD1-CG1 4.47Å; Y102-V108 HydrophobicContact CD1-CG2 3.73Å; Y102-V108 HydrophobicContact CE1-CG1 4.26Å; Y102-V108 HydrophobicContact CE1-CG2 3.88Å; V108-L302 HydrophobicContact CG2-CD2 3.84Å
109	M	91.8	Very high	92.2	Very high	21 Å²	21	43.7 Å²	43.7	10%	0.103	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.4	-177.4	-66.7	-94.2	172.9	0	0	109.1	I67 V100 L101 F111	I67-M109 HydrophobicContact CD1-CB 3.52Å; I67-M109 HydrophobicContact CD1-CG 3.39Å; I67-M109 HydrophobicContact CD1-SD 4.05Å; I67-M109 HydrophobicContact CG1-CG 3.92Å; I67-M109 HydrophobicContact CG1-SD 4.24Å; V100-M109 WeakPolarHBondContact CA-O 3.4Å; L101-M109 HydrophobicContact CB-CB 4.31Å; L101-M109 PolarHBondContact N-O 2.72Å; L101-M109 PolarHBondContact O-N 3.48Å; M109-F111 HydrophobicContact CB-CE2 3.87Å; M109-F111 HydrophobicContact CB-CZ 4.27Å
110	C	93.8	Very high	92.1	Very high	16 Å²	16	46.5 Å²	46.5	11%	0.108	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.9	-178.3	-65.8	0	0	0	0	110.4	K21 K22 E98	K21-C110 WeakPolarHBondContact CA-O 3.34Å; K22-C110 HydrophobicContact CB-CB 3.77Å; K22-C110 HydrophobicContact CD-CB 4.08Å; K22-C110 PolarHBondContact N-O 2.68Å; E98-C110 WeakPolarHBondContact OE1-CB 3.36Å; E98-C110 PolarHBondContact OE1-SG 3.23Å; E98-C110 VanDerWaalsContact OE1-SG 3.36Å
111	F	96.3	Very high	92.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	122.7	176.7	-59.4	-81.7	0	0	0	109.6	V19 R20 K21 L36 F45 I67 E98 L99 L101 M109	V19-F111 HydrophobicContact CG1-CB 3.79Å; V19-F111 HydrophobicContact CG1-CD1 4.03Å; V19-F111 HydrophobicContact CG1-CG 4.34Å; R20-F111 CarbonylContact O-C 3.23Å; R20-F111 WeakPolarHBondContact O-CA 3.36Å; K21-F111 HydrophobicContact CB-CD1 4.05Å; K21-F111 HydrophobicContact CB-CE1 3.97Å; K21-F111 HydrophobicContact CG-CD1 4.29Å; K21-F111 HydrophobicContact CG-CE1 3.88Å; L36-F111 HydrophobicContact CD1-CD1 3.94Å; L36-F111 HydrophobicContact CD1-CE1 3.69Å; L36-F111 HydrophobicContact CD1-CE2 4.37Å; L36-F111 HydrophobicContact CD1-CG 4.39Å; L36-F111 HydrophobicContact CD1-CZ 3.91Å; L36-F111 HydrophobicContact CD2-CG 4.37Å; F45-F111 HydrophobicContact CB-CE1 3.94Å; F45-F111 HydrophobicContact CD2-CD1 4.07Å; F45-F111 AromaticContact CD2-CE1 3.8Å; F45-F111 HydrophobicContact CD2-CE1 3.8Å; F45-F111 AromaticContact CG-CE1 3.94Å; F45-F111 HydrophobicContact CG-CE1 3.94Å; I67-F111 HydrophobicContact CD1-CE2 4.22Å; I67-F111 HydrophobicContact CD1-CZ 4.27Å; E98-F111 CarbonylContact C-O 3.57Å; E98-F111 VanDerWaalsContact CA-O 3.27Å; E98-F111 WeakPolarHBondContact CA-O 3.44Å; L99-F111 HydrophobicContact CB-CB 4.33Å; L99-F111 PolarHBondContact N-O 3.17Å; L99-F111 PolarHBondContact O-N 3.32Å; L101-F111 HydrophobicContact CD1-CE2 3.9Å; L101-F111 HydrophobicContact CG-CE2 4.32Å; M109-F111 HydrophobicContact CB-CE2 3.87Å; M109-F111 HydrophobicContact CB-CZ 4.27Å
112	L	96.1	Very high	92.2	Very high	38 Å²	38	48.9 Å²	48.9	20%	0.199	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.9	176	-175	75.8	0	0	0	109.2	R20 W31 E97 E98	R20-L112 HydrophobicContact CB-CB 4.34Å; R20-L112 PolarHBondContact N-O 3.03Å; R20-L112 VanDerWaalsContact NH2-CD2 3.25Å; R20-L112 PolarHBondContact O-N 3.01Å; W31-L112 HydrophobicContact CE3-CB 4.18Å; W31-L112 HydrophobicContact CH2-CB 3.84Å; W31-L112 HydrophobicContact CH2-CD2 4.28Å; W31-L112 HydrophobicContact CZ2-CD2 4.4Å; W31-L112 HydrophobicContact CZ3-CB 3.52Å; W31-L112 HydrophobicContact CZ3-CD2 4.43Å; E97-L112 WeakPolarHBondContact O-CD1 3.39Å; E98-L112 HydrophobicContact CB-CD1 4.34Å
113	F	96.4	Very high	92.3	Very high	15 Å²	15	49.7 Å²	49.7	7%	0.066	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.2	174.8	-57.6	-73.9	0	0	0	109.6	T16 V19 P96 E97 L99 T117 V122 I125	T16-F113 HydrophobicContact CG2-CD1 4.08Å; T16-F113 HydrophobicContact CG2-CE1 4.05Å; V19-F113 HydrophobicContact CG1-CD1 4.45Å; V19-F113 HydrophobicContact CG1-CE1 4.38Å; V19-F113 HydrophobicContact CG2-CD1 3.86Å; V19-F113 HydrophobicContact CG2-CE1 3.96Å; P96-F113 HydrophobicContact CB-CE2 4.36Å; E97-F113 WeakPolarHBondContact O-CD2 3.17Å; E97-F113 PolarHBondContact O-N 2.9Å; L99-F113 HydrophobicContact CB-CE2 3.66Å; L99-F113 HydrophobicContact CB-CZ 3.8Å; L99-F113 HydrophobicContact CD2-CZ 4.24Å; F113-T117 HydrophobicContact CD1-CG2 4.34Å; F113-V122 HydrophobicContact CB-CG1 4.49Å; F113-V122 HydrophobicContact CB-CG2 4.02Å; F113-V122 HydrophobicContact CD1-CG1 4.1Å; F113-V122 HydrophobicContact CD1-CG2 3.87Å; F113-V122 HydrophobicContact CD2-CG1 3.42Å; F113-V122 VanDerWaalsContact CD2-CG1 3.42Å; F113-V122 HydrophobicContact CD2-CG2 4.37Å; F113-V122 HydrophobicContact CE1-CG1 4.18Å; F113-V122 HydrophobicContact CE1-CG2 4.47Å; F113-V122 HydrophobicContact CE2-CG1 3.51Å; F113-V122 HydrophobicContact CG-CB 4.43Å; F113-V122 HydrophobicContact CG-CG1 3.73Å; F113-V122 HydrophobicContact CG-CG2 3.82Å; F113-V122 HydrophobicContact CZ-CG1 3.9Å; F113-I125 HydrophobicContact CE1-CG2 4.13Å; F113-I125 HydrophobicContact CZ-CG2 4.15Å
114	D	93	Very high	92.5	Very high	56 Å²	56	54.2 Å²	54.2	30%	0.299	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-66.2	154.5	173	-159.4	-74.3	0	0	0	110.6	M18 L116 T117	M18-D114 HydrophobicContact CB-CB 4.03Å; M18-D114 WeakPolarHBondContact O-CB 3.35Å; M18-D114 PolarHBondContact O-N 3.02Å; M18-D114 VanDerWaalsContact O-N 3.11Å; D114-L116 PolarHBondContact O-N 3.44Å; D114-L116 VanDerWaalsContact O-N 3.15Å; D114-L116 PolarHBondContact OD1-N 2.75Å; D114-T117 PolarHBondContact N-OG1 3.36Å; D114-T117 VanDerWaalsContact O-CB 3.24Å; D114-T117 WeakPolarHBondContact O-CB 3.39Å; D114-T117 PolarHBondContact O-N 3.02Å; D114-T117 PolarHBondContact O-OG1 3.19Å
115	R	89.9	Confident	92.9	Very high	249 Å²	249	53 Å²	53	94%	0.94	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.9	174.5	-67.1	-177.1	176	176.9	-0.8	112.4	T117	R115-T117 VanDerWaalsContact C-N 3.33Å
116	L	92.6	Very high	93.3	Very high	129 Å²	129	52.7 Å²	52.7	68%	0.675	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.5	175.8	-60.5	178.3	0	0	0	113.2	M18 D114	M18-L116 HydrophobicContact CE-CB 4.06Å; M18-L116 WeakPolarHBondContact CE-O 3.44Å; M18-L116 HydrophobicContact SD-CB 3.77Å; D114-L116 PolarHBondContact O-N 3.44Å; D114-L116 VanDerWaalsContact O-N 3.15Å; D114-L116 PolarHBondContact OD1-N 2.75Å
117	T	93.1	Very high	93.4	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.018	26%	0.26	C	S	.	.	S	Bend	trans	-71.4	125.7	178	-55.7	0	0	0	0	109.9	T16 V17 M18 F113 D114 R115 D119 V122	T16-T117 HydrophobicContact CG2-CG2 3.4Å; V17-T117 WeakPolarHBondContact O-CG2 3.21Å; V17-T117 PolarHBondContact O-OG1 3.14Å; M18-T117 WeakPolarHBondContact CB-OG1 3.43Å; M18-T117 PolarHBondContact O-OG1 3.36Å; F113-T117 HydrophobicContact CD1-CG2 4.34Å; D114-T117 PolarHBondContact N-OG1 3.36Å; D114-T117 VanDerWaalsContact O-CB 3.24Å; D114-T117 WeakPolarHBondContact O-CB 3.39Å; D114-T117 PolarHBondContact O-N 3.02Å; D114-T117 PolarHBondContact O-OG1 3.19Å; R115-T117 VanDerWaalsContact C-N 3.33Å; T117-D119 PolarHBondContact O-N 2.87Å; T117-V122 HydrophobicContact CG2-CG2 3.58Å
118	P	94.9	Very high	93.6	Very high	57 Å²	57	50.8 Å²	50.8	37%	0.37	26%	0.258	S	S	.	.			trans	-61.6	126.3	-178.4	-23.9	34	0	0	0	112.4	A120 Q121 V122	P118-A120 PolarHBondContact O-N 3.47Å; P118-A120 VanDerWaalsContact O-N 3.11Å; P118-Q121 HydrophobicContact CB-CG 4.26Å; P118-Q121 HydrophobicContact CG-CG 4.5Å; P118-Q121 WeakPolarHBondContact O-CB 3.32Å; P118-Q121 PolarHBondContact O-N 2.91Å; P118-V122 PolarHBondContact O-N 3.02Å
119	D	93.4	Very high	93.8	Very high	92 Å²	92	48.3 Å²	48.3	49%	0.492	24%	0.243	S	C	.	.	H	α-helix	trans	-48.6	-41.3	179.6	-75.4	29.6	0	0	0	113.6	T95 T117 Q121 V122 I123	T95-D119 HydrophobicContact CG2-CB 3.82Å; T95-D119 PolarHBondContact OG1-OD2 3.13Å; T117-D119 PolarHBondContact O-N 2.87Å; D119-Q121 VanDerWaalsContact C-N 3.34Å; D119-Q121 PolarHBondContact O-N 3.48Å; D119-V122 PolarHBondContact O-N 3.12Å; D119-I123 WeakPolarHBondContact O-CG1 3.23Å; D119-I123 PolarHBondContact O-N 2.95Å
120	A	93.4	Very high	93.6	Very high	59 Å²	59	47.3 Å²	47.3	49%	0.488	24%	0.238	S	C	.	.	H	α-helix	trans	-58.3	-44.7	176.9	0	0	0	0	0	111.9	P118 V122 I123 E124	P118-A120 PolarHBondContact O-N 3.47Å; P118-A120 VanDerWaalsContact O-N 3.11Å; A120-V122 VanDerWaalsContact C-N 3.34Å; A120-V122 PolarHBondContact O-N 2.65Å; A120-I123 PolarHBondContact O-N 2.78Å; A120-E124 VanDerWaalsContact O-CB 3.28Å; A120-E124 WeakPolarHBondContact O-CB 3.48Å; A120-E124 WeakPolarHBondContact O-CG 3.28Å; A120-E124 PolarHBondContact O-N 2.75Å
121	Q	94.6	Very high	93.2	Very high	57 Å²	57	52.4 Å²	52.4	27%	0.266	26%	0.259	S	S	.	.	H	α-helix	trans	-66	-37.5	178.3	-69.3	-176.5	19	0	0	111.8	T16 P118 D119 I125	T16-Q121 HydrophobicContact CG2-CB 4.09Å; T16-Q121 PolarHBondContact OG1-O 3.47Å; P118-Q121 HydrophobicContact CB-CG 4.26Å; P118-Q121 HydrophobicContact CG-CG 4.5Å; P118-Q121 WeakPolarHBondContact O-CB 3.32Å; P118-Q121 PolarHBondContact O-N 2.91Å; D119-Q121 VanDerWaalsContact C-N 3.34Å; D119-Q121 PolarHBondContact O-N 3.48Å; Q121-I125 WeakPolarHBondContact O-CB 3.07Å; Q121-I125 VanDerWaalsContact O-CG2 3.24Å; Q121-I125 WeakPolarHBondContact O-CG2 3.46Å; Q121-I125 PolarHBondContact O-N 3.45Å
122	V	95.1	Very high	92.6	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-46.5	178.4	-177.1	0	0	0	0	111.1	T95 P96 F113 T117 P118 D119 A120 I125 T126	T95-V122 HydrophobicContact CG2-CB 4.03Å; T95-V122 HydrophobicContact CG2-CG1 4.15Å; T95-V122 HydrophobicContact CG2-CG2 4.45Å; P96-V122 HydrophobicContact CB-CG1 4.06Å; P96-V122 HydrophobicContact CG-CG1 4.1Å; P96-V122 WeakPolarHBondContact O-CG1 3.31Å; F113-V122 HydrophobicContact CB-CG1 4.49Å; F113-V122 HydrophobicContact CB-CG2 4.02Å; F113-V122 HydrophobicContact CD1-CG1 4.1Å; F113-V122 HydrophobicContact CD1-CG2 3.87Å; F113-V122 HydrophobicContact CD2-CG1 3.42Å; F113-V122 VanDerWaalsContact CD2-CG1 3.42Å; F113-V122 HydrophobicContact CD2-CG2 4.37Å; F113-V122 HydrophobicContact CE1-CG1 4.18Å; F113-V122 HydrophobicContact CE1-CG2 4.47Å; F113-V122 HydrophobicContact CE2-CG1 3.51Å; F113-V122 HydrophobicContact CG-CB 4.43Å; F113-V122 HydrophobicContact CG-CG1 3.73Å; F113-V122 HydrophobicContact CG-CG2 3.82Å; F113-V122 HydrophobicContact CZ-CG1 3.9Å; T117-V122 HydrophobicContact CG2-CG2 3.58Å; P118-V122 PolarHBondContact O-N 3.02Å; D119-V122 PolarHBondContact O-N 3.12Å; A120-V122 VanDerWaalsContact C-N 3.34Å; A120-V122 PolarHBondContact O-N 2.65Å; V122-I125 WeakPolarHBondContact O-CG2 3.44Å; V122-T126 WeakPolarHBondContact O-CB 3.43Å; V122-T126 PolarHBondContact O-N 2.94Å; V122-T126 VanDerWaalsContact O-N 3.16Å; V122-T126 PolarHBondContact O-OG1 3.44Å
123	I	93.5	Very high	91.6	Very high	49 Å²	49	54.1 Å²	54.1	25%	0.251	27%	0.268	S	S	.	.	H	α-helix	trans	-64.6	-48.5	178.3	-69.2	170.1	0	0	0	109.7	D119 A120 T126 Y127	D119-I123 WeakPolarHBondContact O-CG1 3.23Å; D119-I123 PolarHBondContact O-N 2.95Å; A120-I123 PolarHBondContact O-N 2.78Å; I123-T126 PolarHBondContact O-N 3.5Å; I123-Y127 HydrophobicContact CG2-CD2 3.53Å; I123-Y127 HydrophobicContact CG2-CE2 3.54Å; I123-Y127 WeakPolarHBondContact O-CB 3.46Å; I123-Y127 WeakPolarHBondContact O-CD2 3.41Å; I123-Y127 PolarHBondContact O-N 3.1Å
124	E	94	Very high	90.1	Very high	95 Å²	95	57 Å²	57	44%	0.444	28%	0.282	S	S	.	.	H	α-helix	trans	-61	-46.4	180	-75.6	172.3	-178.3	0	0	112.9	Q14 A120 T126 Y127 T128	Q14-E124 HydrophobicContact CG-CB 4.27Å; Q14-E124 VanDerWaalsContact NE2-CB 3.27Å; Q14-E124 PolarHBondContact NE2-OE2 3.24Å; A120-E124 VanDerWaalsContact O-CB 3.28Å; A120-E124 WeakPolarHBondContact O-CB 3.48Å; A120-E124 WeakPolarHBondContact O-CG 3.28Å; A120-E124 PolarHBondContact O-N 2.75Å; E124-T126 PolarHBondContact O-N 3.03Å; E124-Y127 PolarHBondContact O-N 3.42Å; E124-T128 WeakPolarHBondContact O-CB 3.43Å; E124-T128 PolarHBondContact O-N 2.9Å; E124-T128 PolarHBondContact O-OG1 3.4Å
125	I	95.1	Very high	88.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-42.5	179.7	-168.5	64.2	0	0	0	111.5	Q14 T16 L36 C38 F113 Q121 V122 Y127 T128 I129	Q14-I125 HydrophobicContact CB-CD1 3.66Å; Q14-I125 HydrophobicContact CG-CB 3.83Å; Q14-I125 HydrophobicContact CG-CD1 3.65Å; Q14-I125 HydrophobicContact CG-CG1 4.33Å; T16-I125 HydrophobicContact CG2-CG2 4.49Å; T16-I125 VanDerWaalsContact OG1-CB 3.25Å; T16-I125 WeakPolarHBondContact OG1-CB 3.39Å; T16-I125 VanDerWaalsContact OG1-CG2 3.26Å; T16-I125 WeakPolarHBondContact OG1-CG2 3.26Å; L36-I125 HydrophobicContact CD2-CG1 4.11Å; C38-I125 HydrophobicContact CB-CD1 3.51Å; F113-I125 HydrophobicContact CE1-CG2 4.13Å; F113-I125 HydrophobicContact CZ-CG2 4.15Å; Q121-I125 WeakPolarHBondContact O-CB 3.07Å; Q121-I125 VanDerWaalsContact O-CG2 3.24Å; Q121-I125 WeakPolarHBondContact O-CG2 3.46Å; Q121-I125 PolarHBondContact O-N 3.45Å; V122-I125 WeakPolarHBondContact O-CG2 3.44Å; I125-Y127 VanDerWaalsContact C-N 3.27Å; I125-Y127 PolarHBondContact O-N 3.48Å; I125-T128 PolarHBondContact O-N 3.42Å; I125-I129 HydrophobicContact CD1-CD1 4.33Å; I125-I129 HydrophobicContact CD1-CG1 4.44Å; I125-I129 HydrophobicContact CG1-CD1 3.96Å; I125-I129 HydrophobicContact CG1-CG1 4.45Å; I125-I129 WeakPolarHBondContact O-CB 3.42Å; I125-I129 VanDerWaalsContact O-CG1 3.25Å; I125-I129 WeakPolarHBondContact O-CG1 3.43Å; I125-I129 PolarHBondContact O-N 3.34Å
126	T	94.6	Very high	87	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-43	177.8	-59.5	0	0	0	0	110.4	A77 V86 L92 P96 L99 V122 I123 E124 A130	A77-T126 HydrophobicContact CB-CG2 4.27Å; V86-T126 HydrophobicContact CG1-CG2 4.33Å; V86-T126 HydrophobicContact CG2-CG2 3.99Å; L92-T126 HydrophobicContact CD1-CG2 3.78Å; P96-T126 HydrophobicContact CG-CG2 4.45Å; L99-T126 HydrophobicContact CD1-CG2 3.97Å; V122-T126 WeakPolarHBondContact O-CB 3.43Å; V122-T126 PolarHBondContact O-N 2.94Å; V122-T126 VanDerWaalsContact O-N 3.16Å; V122-T126 PolarHBondContact O-OG1 3.44Å; I123-T126 PolarHBondContact O-N 3.5Å; E124-T126 PolarHBondContact O-N 3.03Å; T126-A130 VanDerWaalsContact O-CB 3.32Å; T126-A130 WeakPolarHBondContact O-CB 3.42Å; T126-A130 PolarHBondContact O-N 3.4Å
127	Y	91.4	Very high	85.5	Confident	43 Å²	43	47.3 Å²	47.3	17%	0.169	24%	0.244	C	C	.	.	H	α-helix	trans	-70.3	-43.8	177.5	-87.3	-55.5	0	0	0	114.6	V86 S90 S91 L92 I123 E124 I125 I129 A130 K131	V86-Y127 HydrophobicContact CG1-CD1 4.36Å; V86-Y127 HydrophobicContact CG1-CE1 4.35Å; S90-Y127 WeakPolarHBondContact O-CE1 3.28Å; S90-Y127 PolarHBondContact O-OH 3.27Å; S91-Y127 VanDerWaalsContact C-OH 3.23Å; S91-Y127 WeakPolarHBondContact CA-OH 3.37Å; L92-Y127 HydrophobicContact CB-CE2 3.94Å; L92-Y127 HydrophobicContact CD1-CD2 4.13Å; L92-Y127 HydrophobicContact CD1-CE1 4.38Å; L92-Y127 HydrophobicContact CD1-CE2 3.78Å; L92-Y127 HydrophobicContact CG-CE1 4.29Å; L92-Y127 HydrophobicContact CG-CE2 3.98Å; L92-Y127 PolarHBondContact N-OH 3.4Å; I123-Y127 HydrophobicContact CG2-CD2 3.53Å; I123-Y127 HydrophobicContact CG2-CE2 3.54Å; I123-Y127 WeakPolarHBondContact O-CB 3.46Å; I123-Y127 WeakPolarHBondContact O-CD2 3.41Å; I123-Y127 PolarHBondContact O-N 3.1Å; E124-Y127 PolarHBondContact O-N 3.42Å; I125-Y127 VanDerWaalsContact C-N 3.27Å; I125-Y127 PolarHBondContact O-N 3.48Å; Y127-I129 VanDerWaalsContact C-N 3.32Å; Y127-A130 PolarHBondContact O-N 2.88Å; Y127-K131 WeakPolarHBondContact O-CB 3.45Å; Y127-K131 WeakPolarHBondContact O-CG 3.23Å; Y127-K131 PolarHBondContact O-N 3.44Å
128	T	92.8	Very high	83.6	Confident	33 Å²	33	51.4 Å²	51.4	20%	0.202	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-47.6	178.6	-64.6	0	0	0	0	109.3	L13 Q14 C38 E124 I125 A130 K131 T132	L13-T128 HydrophobicContact CB-CG2 3.68Å; L13-T128 HydrophobicContact CD1-CG2 4.25Å; Q14-T128 HydrophobicContact CB-CG2 3.99Å; C38-T128 HydrophobicContact CB-CG2 4.1Å; E124-T128 WeakPolarHBondContact O-CB 3.43Å; E124-T128 PolarHBondContact O-N 2.9Å; E124-T128 PolarHBondContact O-OG1 3.4Å; I125-T128 PolarHBondContact O-N 3.42Å; T128-A130 VanDerWaalsContact C-N 3.34Å; T128-A130 PolarHBondContact O-N 3.13Å; T128-K131 PolarHBondContact O-N 2.91Å; T128-T132 WeakPolarHBondContact O-CB 3.36Å; T128-T132 PolarHBondContact O-N 3.41Å; T128-T132 PolarHBondContact O-OG1 3.25Å
129	I	93.3	Very high	81.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-55.8	-51.6	173.9	-65.8	170.4	0	0	0	109.8	L36 C38 V43 I72 V75 L99 L101 I125 Y127 K131 T132 Y133	L36-I129 HydrophobicContact CD2-CD1 4.44Å; C38-I129 HydrophobicContact CB-CG1 3.8Å; V43-I129 HydrophobicContact CG1-CD1 4.01Å; V43-I129 HydrophobicContact CG2-CD1 3.88Å; V43-I129 HydrophobicContact CG2-CG1 3.81Å; V43-I129 HydrophobicContact CG2-CG2 3.97Å; I72-I129 HydrophobicContact CD1-CG2 4.16Å; V75-I129 HydrophobicContact CG1-CG2 4.45Å; V75-I129 HydrophobicContact CG2-CG2 3.96Å; L99-I129 HydrophobicContact CD2-CD1 3.79Å; L101-I129 HydrophobicContact CD2-CG2 4.13Å; I125-I129 HydrophobicContact CD1-CD1 4.33Å; I125-I129 HydrophobicContact CD1-CG1 4.44Å; I125-I129 HydrophobicContact CG1-CD1 3.96Å; I125-I129 HydrophobicContact CG1-CG1 4.45Å; I125-I129 WeakPolarHBondContact O-CB 3.42Å; I125-I129 VanDerWaalsContact O-CG1 3.25Å; I125-I129 WeakPolarHBondContact O-CG1 3.43Å; I125-I129 PolarHBondContact O-N 3.34Å; Y127-I129 VanDerWaalsContact C-N 3.32Å; I129-K131 VanDerWaalsContact C-N 3.29Å; I129-K131 PolarHBondContact O-N 3.4Å; I129-T132 PolarHBondContact O-N 3.01Å; I129-Y133 WeakPolarHBondContact O-CD1 3.48Å; I129-Y133 PolarHBondContact O-N 3.32Å
130	A	88.8	Confident	80.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-32.8	-177.7	0	0	0	0	0	114.4	V75 V86 T126 Y127 T128 Y133 Q134	V75-A130 HydrophobicContact CG1-CB 4.42Å; V86-A130 HydrophobicContact CB-CB 4.12Å; V86-A130 HydrophobicContact CG1-CB 3.54Å; T126-A130 VanDerWaalsContact O-CB 3.32Å; T126-A130 WeakPolarHBondContact O-CB 3.42Å; T126-A130 PolarHBondContact O-N 3.4Å; Y127-A130 PolarHBondContact O-N 2.88Å; T128-A130 VanDerWaalsContact C-N 3.34Å; T128-A130 PolarHBondContact O-N 3.13Å; A130-Y133 VanDerWaalsContact CA-CD1 3.48Å; A130-Y133 HydrophobicContact CB-CE1 4.32Å; A130-Y133 WeakPolarHBondContact O-CD1 3.48Å; A130-Y133 VanDerWaalsContact O-CE1 3.23Å; A130-Y133 WeakPolarHBondContact O-CE1 3.26Å; A130-Q134 PolarHBondContact O-NE2 3.1Å
131	K	85.7	Confident	79.9	Confident	124 Å²	124	46.1 Å²	46.1	54%	0.539	25%	0.248	S	C	.	.	H	α-helix	trans	-80.9	-33.7	177.4	-74.3	179.3	-179.4	179.7	0	112.9	P88 Y127 T128 I129 Q134	P88-K131 HydrophobicContact CB-CG 4.16Å; Y127-K131 WeakPolarHBondContact O-CB 3.45Å; Y127-K131 WeakPolarHBondContact O-CG 3.23Å; Y127-K131 PolarHBondContact O-N 3.44Å; T128-K131 PolarHBondContact O-N 2.91Å; I129-K131 VanDerWaalsContact C-N 3.29Å; I129-K131 PolarHBondContact O-N 3.4Å; K131-Q134 VanDerWaalsContact O-CG 3.31Å; K131-Q134 WeakPolarHBondContact O-CG 3.4Å
132	T	82.2	Confident	79.1	Confident	48 Å²	48	46.1 Å²	46.1	29%	0.294	25%	0.25	S	C	.	.	H	α-helix	trans	-85	-34	-173.9	-44.8	0	0	0	0	112.2	L13 L69 T128 I129 Q134	L13-T132 HydrophobicContact CD1-CG2 3.83Å; L69-T132 HydrophobicContact CD1-CG2 3.44Å; L69-T132 VanDerWaalsContact CD1-CG2 3.44Å; T128-T132 WeakPolarHBondContact O-CB 3.36Å; T128-T132 PolarHBondContact O-N 3.41Å; T128-T132 PolarHBondContact O-OG1 3.25Å; I129-T132 PolarHBondContact O-N 3.01Å; T132-Q134 PolarHBondContact O-N 3.19Å
133	Y	75.1	Confident	78.3	Confident	25 Å²	25	49 Å²	49	10%	0.098	27%	0.273	C	S	.	.	S	Bend	trans	-73.5	4.9	-176.4	92.2	-78	0	0	0	115.6	I72 E73 V75 I129 A130	I72-Y133 HydrophobicContact CB-CD2 3.76Å; I72-Y133 HydrophobicContact CB-CG 4.17Å; I72-Y133 HydrophobicContact CG2-CD2 3.5Å; I72-Y133 HydrophobicContact CG2-CE2 3.91Å; I72-Y133 HydrophobicContact CG2-CG 3.91Å; I72-Y133 WeakPolarHBondContact O-CD2 3.44Å; E73-Y133 WeakPolarHBondContact O-CE2 3.42Å; V75-Y133 HydrophobicContact CB-CE1 4.17Å; V75-Y133 HydrophobicContact CG2-CD1 3.64Å; V75-Y133 HydrophobicContact CG2-CE1 3.34Å; V75-Y133 HydrophobicContact CG2-CE2 4.3Å; V75-Y133 HydrophobicContact CG2-CG 4.2Å; I129-Y133 WeakPolarHBondContact O-CD1 3.48Å; I129-Y133 PolarHBondContact O-N 3.32Å; A130-Y133 VanDerWaalsContact CA-CD1 3.48Å; A130-Y133 HydrophobicContact CB-CE1 4.32Å; A130-Y133 WeakPolarHBondContact O-CD1 3.48Å; A130-Y133 VanDerWaalsContact O-CE1 3.23Å; A130-Y133 WeakPolarHBondContact O-CE1 3.26Å
134	Q	65.1	Low	77.8	Confident	76 Å²	76	47.3 Å²	47.3	36%	0.355	26%	0.264	S	S	.	.			trans	-48.7	146.4	-168.1	-75.3	-58.8	-69.7	0	0	113.9	P88 A130 K131 T132 L136	P88-Q134 HydrophobicContact CG-CG 3.71Å; A130-Q134 PolarHBondContact O-NE2 3.1Å; K131-Q134 VanDerWaalsContact O-CG 3.31Å; K131-Q134 WeakPolarHBondContact O-CG 3.4Å; T132-Q134 PolarHBondContact O-N 3.19Å; Q134-L136 PolarHBondContact O-N 2.9Å
135	P	58.1	Low	77.4	Confident	53 Å²	53	42.9 Å²	42.9	34%	0.344	24%	0.244	S	C	.	.			trans	-47	129.1	-178.7	-25.4	32.3	0	0	0	110.2	K137	P135-K137 PolarHBondContact O-N 3.17Å
136	L	60.8	Low	76.8	Confident	15 Å²	15	46.8 Å²	46.8	8%	0.079	27%	0.265	C	S	.	.			trans	-59	102.8	-176.5	-71.7	166.3	0	0	0	108.4	A70 Q134 S140 V141 F144 Y403 H404 P450	A70-L136 HydrophobicContact CB-CD1 4.05Å; Q134-L136 PolarHBondContact O-N 2.9Å; L136-S140 WeakPolarHBondContact CA-OG 3.38Å; L136-S140 WeakPolarHBondContact CB-OG 3.38Å; L136-S140 VanDerWaalsContact CD2-OG 3.29Å; L136-S140 WeakPolarHBondContact CD2-OG 3.37Å; L136-V141 HydrophobicContact CB-CG2 4.48Å; L136-V141 HydrophobicContact CD1-CG2 4.19Å; L136-F144 HydrophobicContact CD2-CB 4.29Å; L136-Y403 HydrophobicContact CD1-CD1 4.34Å; L136-H404 WeakPolarHBondContact O-CA 3.35Å; L136-H404 PolarHBondContact O-ND1 2.71Å; L136-P450 HydrophobicContact CD1-CG 4.05Å
137	K	60.6	Low	76.3	Confident	163 Å²	163	47.4 Å²	47.4	71%	0.709	27%	0.27	S	S	*	.			trans	-67.5	157.4	170.5	-64.3	-178	-179.3	179.7	0	110.3	P135 G139 S140	P135-K137 PolarHBondContact O-N 3.17Å; K137-G139 PolarHBondContact O-N 3.11Å; K137-G139 VanDerWaalsContact O-N 3.11Å; K137-S140 PolarHBondContact N-OG 3.48Å; K137-S140 VanDerWaalsContact O-CB 3.32Å; K137-S140 WeakPolarHBondContact O-CB 3.42Å; K137-S140 PolarHBondContact O-N 3.5Å; K137-S140 PolarHBondContact O-OG 3.42Å
138	P	53.8	Low	76.1	Confident	89 Å²	89	45.4 Å²	45.4	58%	0.578	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	121.4	169.1	-28.7	36.3	0	0	0	110.9	E406	P138-E406 WeakPolarHBondContact CD-OE1 3.48Å; P138-E406 WeakPolarHBondContact CG-OE1 3.49Å
139	G	59	Low	75.8	Confident	60 Å²	60	44.3 Å²	44.3	62%	0.619	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	-21.9	-173.7	0	0	0	0	0	115.8	K137 L142	K137-G139 PolarHBondContact O-N 3.11Å; K137-G139 VanDerWaalsContact O-N 3.11Å; G139-L142 PolarHBondContact O-N 3.47Å
140	S	68.5	Low	75.4	Confident	32 Å²	32	45.5 Å²	45.5	22%	0.224	27%	0.267	C	S	.	.	H	α-helix	trans	-74.9	-23.6	178.6	64	0	0	0	0	114.3	L136 K137 L142 A143 F144	L136-S140 WeakPolarHBondContact CA-OG 3.38Å; L136-S140 WeakPolarHBondContact CB-OG 3.38Å; L136-S140 VanDerWaalsContact CD2-OG 3.29Å; L136-S140 WeakPolarHBondContact CD2-OG 3.37Å; K137-S140 PolarHBondContact N-OG 3.48Å; K137-S140 VanDerWaalsContact O-CB 3.32Å; K137-S140 WeakPolarHBondContact O-CB 3.42Å; K137-S140 PolarHBondContact O-N 3.5Å; K137-S140 PolarHBondContact O-OG 3.42Å; S140-L142 VanDerWaalsContact C-N 3.27Å; S140-L142 PolarHBondContact O-N 3.04Å; S140-A143 PolarHBondContact O-N 3.25Å; S140-F144 WeakPolarHBondContact O-CB 3.22Å; S140-F144 PolarHBondContact O-N 2.76Å
141	V	76.5	Confident	75.4	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-59.1	-42.7	173.7	170.8	0	0	0	0	110.1	L136 F144 Q145 P450 L456	L136-V141 HydrophobicContact CB-CG2 4.48Å; L136-V141 HydrophobicContact CD1-CG2 4.19Å; V141-F144 PolarHBondContact O-N 3.23Å; V141-Q145 WeakPolarHBondContact O-CB 3.28Å; V141-Q145 VanDerWaalsContact O-CG 3.23Å; V141-Q145 WeakPolarHBondContact O-CG 3.24Å; V141-Q145 PolarHBondContact O-N 2.94Å; V141-P450 HydrophobicContact CG1-CB 4.13Å; V141-L456 HydrophobicContact CG1-CD2 4.49Å
142	L	77.5	Confident	75.4	Confident	57 Å²	57	45.6 Å²	45.6	30%	0.298	28%	0.279	S	S	.	.	H	α-helix	trans	-66.4	-41.5	176.3	-179.4	57.7	0	0	0	111.4	G139 S140 F144 Q145 N146 L470	G139-L142 PolarHBondContact O-N 3.47Å; S140-L142 VanDerWaalsContact C-N 3.27Å; S140-L142 PolarHBondContact O-N 3.04Å; L142-F144 VanDerWaalsContact C-N 3.32Å; L142-F144 PolarHBondContact O-N 2.76Å; L142-Q145 PolarHBondContact O-N 2.78Å; L142-N146 WeakPolarHBondContact O-CB 3.28Å; L142-N146 VanDerWaalsContact O-CG 3.24Å; L142-N146 PolarHBondContact O-N 2.87Å; L142-L470 HydrophobicContact CD1-CD2 3.46Å; L142-L470 VanDerWaalsContact CD1-CD2 3.46Å; L142-L470 HydrophobicContact CD2-CD2 4.27Å; L142-L470 HydrophobicContact CG-CD2 4.49Å
143	A	78.3	Confident	75.6	Confident	62 Å²	62	48.9 Å²	48.9	51%	0.512	29%	0.291	S	S	.	.	H	α-helix	trans	-61	-41.2	175.2	0	0	0	0	0	112	S140 N146 A147	S140-A143 PolarHBondContact O-N 3.25Å; A143-N146 PolarHBondContact O-N 3.45Å; A143-A147 WeakPolarHBondContact O-CB 3.43Å; A143-A147 PolarHBondContact O-N 3.02Å
144	F	83.3	Confident	76.2	Confident	14 Å²	14	47.8 Å²	47.8	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-38.9	175.4	179.4	-96.6	0	0	0	112.4	F41 A68 A70 L136 S140 V141 L142 A147 A148 P450 L451	F41-F144 HydrophobicContact CD2-CD2 4.18Å; F41-F144 HydrophobicContact CD2-CE1 4.4Å; F41-F144 AromaticContact CD2-CE2 3.56Å; F41-F144 HydrophobicContact CD2-CE2 3.56Å; F41-F144 AromaticContact CD2-CZ 3.69Å; F41-F144 HydrophobicContact CD2-CZ 3.69Å; F41-F144 AromaticContact CE2-CE1 3.91Å; F41-F144 HydrophobicContact CE2-CE1 3.91Å; F41-F144 AromaticContact CE2-CE2 3.75Å; F41-F144 HydrophobicContact CE2-CE2 3.75Å; F41-F144 AromaticContact CE2-CZ 3.34Å; F41-F144 HydrophobicContact CE2-CZ 3.34Å; F41-F144 HydrophobicContact CZ-CZ 4.41Å; F41-F144 WeakPolarHBondContact O-CE2 3.49Å; A68-F144 HydrophobicContact CB-CZ 4.02Å; A70-F144 HydrophobicContact CB-CD1 4.31Å; A70-F144 HydrophobicContact CB-CD2 4.1Å; A70-F144 HydrophobicContact CB-CE1 3.9Å; A70-F144 HydrophobicContact CB-CE2 3.69Å; A70-F144 HydrophobicContact CB-CG 4.39Å; A70-F144 HydrophobicContact CB-CZ 3.58Å; L136-F144 HydrophobicContact CD2-CB 4.29Å; S140-F144 WeakPolarHBondContact O-CB 3.22Å; S140-F144 PolarHBondContact O-N 2.76Å; V141-F144 PolarHBondContact O-N 3.23Å; L142-F144 VanDerWaalsContact C-N 3.32Å; L142-F144 PolarHBondContact O-N 2.76Å; F144-A147 WeakPolarHBondContact O-CB 3.47Å; F144-A147 PolarHBondContact O-N 3.12Å; F144-A148 PolarHBondContact O-N 3.17Å; F144-P450 HydrophobicContact CD1-CG 3.72Å; F144-P450 HydrophobicContact CE1-CG 3.78Å; F144-L451 HydrophobicContact CD1-CD2 3.86Å; F144-L451 HydrophobicContact CD1-CG 4.48Å; F144-L451 HydrophobicContact CE1-CD1 4.41Å; F144-L451 HydrophobicContact CE1-CD2 3.54Å; F144-L451 HydrophobicContact CE1-CG 3.78Å; F144-L451 HydrophobicContact CZ-CD2 4.44Å
145	Q	85.4	Confident	77.2	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-46.2	172.8	-73.5	173.9	-30.2	0	0	111.4	V141 L142 A147 A148 L149 P450 L451 L515	V141-Q145 WeakPolarHBondContact O-CB 3.28Å; V141-Q145 VanDerWaalsContact O-CG 3.23Å; V141-Q145 WeakPolarHBondContact O-CG 3.24Å; V141-Q145 PolarHBondContact O-N 2.94Å; L142-Q145 PolarHBondContact O-N 2.78Å; Q145-A147 VanDerWaalsContact C-N 3.26Å; Q145-A147 PolarHBondContact O-N 2.76Å; Q145-A148 PolarHBondContact O-N 3.38Å; Q145-A148 VanDerWaalsContact O-N 3.15Å; Q145-L149 WeakPolarHBondContact O-CA 3.06Å; Q145-L149 WeakPolarHBondContact O-CB 3.42Å; Q145-L149 PolarHBondContact O-N 2.82Å; Q145-P450 WeakPolarHBondContact CG-O 3.48Å; Q145-P450 PolarHBondContact NE2-O 3.1Å; Q145-L451 HydrophobicContact CG-CD2 4.49Å; Q145-L515 HydrophobicContact CB-CD2 4.39Å; Q145-L515 HydrophobicContact CG-CD2 4.38Å; Q145-L515 VanDerWaalsContact NE2-CD1 3.27Å
146	N	82.1	Confident	78.5	Confident	83 Å²	83	49.6 Å²	49.6	44%	0.444	29%	0.29	S	S	.	.	H	α-helix	trans	-65.3	-31.6	179.1	-71.9	-10.9	0	0	0	112.3	L142 A143 A148 G150	L142-N146 WeakPolarHBondContact O-CB 3.28Å; L142-N146 VanDerWaalsContact O-CG 3.24Å; L142-N146 PolarHBondContact O-N 2.87Å; A143-N146 PolarHBondContact O-N 3.45Å; N146-A148 VanDerWaalsContact C-N 3.27Å; N146-A148 PolarHBondContact O-N 3.24Å; N146-G150 WeakPolarHBondContact O-CA 3.44Å; N146-G150 PolarHBondContact O-N 3.05Å
147	A	83.9	Confident	79.8	Confident	13 Å²	13	51 Å²	51	11%	0.107	30%	0.295	C	S	.	.	H	α-helix	trans	-59.6	-36	173.4	0	0	0	0	0	113.2	H40 F41 A143 F144 Q145	H40-A147 VanDerWaalsContact CD2-CB 3.41Å; H40-A147 WeakPolarHBondContact CD2-CB 3.5Å; F41-A147 HydrophobicContact CB-CB 4.21Å; A143-A147 WeakPolarHBondContact O-CB 3.43Å; A143-A147 PolarHBondContact O-N 3.02Å; F144-A147 WeakPolarHBondContact O-CB 3.47Å; F144-A147 PolarHBondContact O-N 3.12Å; Q145-A147 VanDerWaalsContact C-N 3.26Å; Q145-A147 PolarHBondContact O-N 2.76Å
148	A	86.8	Confident	81	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-98.3	-34.7	-178.3	0	0	0	0	0	113.3	L7 F41 L61 F144 Q145 N146 L451	L7-A148 HydrophobicContact CD1-CB 4.42Å; F41-A148 HydrophobicContact CD1-CB 4.42Å; F41-A148 HydrophobicContact CD2-CB 3.66Å; F41-A148 HydrophobicContact CE1-CB 4.28Å; F41-A148 HydrophobicContact CE2-CB 3.5Å; F41-A148 VanDerWaalsContact CE2-CB 3.5Å; F41-A148 HydrophobicContact CG-CB 4.14Å; F41-A148 HydrophobicContact CZ-CB 3.84Å; L61-A148 HydrophobicContact CD2-CB 4.5Å; F144-A148 PolarHBondContact O-N 3.17Å; Q145-A148 PolarHBondContact O-N 3.38Å; Q145-A148 VanDerWaalsContact O-N 3.15Å; N146-A148 VanDerWaalsContact C-N 3.27Å; N146-A148 PolarHBondContact O-N 3.24Å; A148-L451 HydrophobicContact CB-CD2 3.91Å
149	L	87.9	Confident	82.4	Confident	9 Å²	9	43.1 Å²	43.1	5%	0.047	26%	0.261	C	S	.	.	H	α-helix	trans	-120.3	-7.1	-166.2	-50.3	179.2	0	0	0	113.9	L61 Q145 M154 L158 L515 P516	L61-L149 HydrophobicContact CD1-CD2 4.23Å; L61-L149 HydrophobicContact CD2-CD2 3.82Å; Q145-L149 WeakPolarHBondContact O-CA 3.06Å; Q145-L149 WeakPolarHBondContact O-CB 3.42Å; Q145-L149 PolarHBondContact O-N 2.82Å; L149-M154 HydrophobicContact CD2-CG 4.34Å; L149-L158 HydrophobicContact CB-CD1 4.21Å; L149-L158 HydrophobicContact CD2-CD1 4.14Å; L149-L515 HydrophobicContact CD1-CD2 3.65Å; L149-P516 HydrophobicContact CD1-CG 4.26Å
150	G	84.9	Confident	83.6	Confident	25 Å²	25	46 Å²	46	26%	0.258	26%	0.262	S	S	.	.			trans	-87.7	-11.4	-167	0	0	0	0	0	115.7	N146	N146-G150 WeakPolarHBondContact O-CA 3.44Å; N146-G150 PolarHBondContact O-N 3.05Å
151	S	87.2	Confident	84.4	Confident	18 Å²	18	47.3 Å²	47.3	13%	0.126	26%	0.262	C	S	.	.	S	Bend	trans	-67.4	150.6	176.8	58.6	0	0	0	0	111.6	P8 E153 M154 K155	P8-S151 WeakPolarHBondContact O-CB 3.42Å; P8-S151 PolarHBondContact O-OG 3.16Å; S151-E153 VanDerWaalsContact C-N 3.25Å; S151-E153 PolarHBondContact O-N 3.23Å; S151-M154 PolarHBondContact O-N 3.4Å; S151-M154 VanDerWaalsContact O-N 3.14Å; S151-M154 WeakPolarHBondContact OG-CB 3.44Å; S151-M154 PolarHBondContact OG-N 3.2Å; S151-K155 WeakPolarHBondContact O-CG 3.39Å; S151-K155 PolarHBondContact O-N 3.33Å
152	V	86.5	Confident	84.5	Confident	108 Å²	108	58.3 Å²	58.3	66%	0.655	30%	0.303	S	S	*	.	H	α-helix	trans	-58.5	-42.7	-179.4	177	0	0	0	0	110.4	M154 K155 Q156	V152-M154 PolarHBondContact O-N 2.86Å; V152-K155 PolarHBondContact O-N 2.91Å; V152-Q156 WeakPolarHBondContact O-CB 3.5Å; V152-Q156 PolarHBondContact O-N 3.34Å
153	E	87.3	Confident	84.8	Confident	118 Å²	118	61.9 Å²	61.9	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-63.4	-41.5	178.4	-59.6	80.5	-178.4	0	0	111.7	P8 S151 F157	P8-E153 HydrophobicContact CB-CB 3.88Å; P8-E153 HydrophobicContact CG-CB 4.4Å; S151-E153 VanDerWaalsContact C-N 3.25Å; S151-E153 PolarHBondContact O-N 3.23Å; E153-F157 WeakPolarHBondContact O-CB 3.39Å; E153-F157 PolarHBondContact O-N 2.69Å
154	M	87	Confident	85.1	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-71.1	-41.8	178.7	-170.2	61.2	80.1	0	0	111.6	L7 P59 L61 L149 S151 V152 Q156 F157 L158	L7-M154 HydrophobicContact CB-CE 4.42Å; L7-M154 HydrophobicContact CD2-CE 4.21Å; P59-M154 HydrophobicContact CB-CE 4.14Å; P59-M154 HydrophobicContact CG-CE 3.99Å; P59-M154 HydrophobicContact CG-SD 4.19Å; L61-M154 HydrophobicContact CD2-CE 4.38Å; L149-M154 HydrophobicContact CD2-CG 4.34Å; S151-M154 PolarHBondContact O-N 3.4Å; S151-M154 VanDerWaalsContact O-N 3.14Å; S151-M154 WeakPolarHBondContact OG-CB 3.44Å; S151-M154 PolarHBondContact OG-N 3.2Å; V152-M154 PolarHBondContact O-N 2.86Å; M154-Q156 VanDerWaalsContact C-N 3.33Å; M154-Q156 PolarHBondContact O-N 2.97Å; M154-F157 WeakPolarHBondContact O-CB 3.37Å; M154-F157 PolarHBondContact O-N 3.26Å; M154-F157 HydrophobicContact SD-CD1 3.76Å; M154-F157 HydrophobicContact SD-CE1 4.48Å; M154-L158 HydrophobicContact CG-CD1 4.07Å; M154-L158 HydrophobicContact CG-CG 4.32Å; M154-L158 WeakPolarHBondContact O-CB 2.94Å; M154-L158 VanDerWaalsContact O-CG 3.24Å; M154-L158 WeakPolarHBondContact O-CG 3.36Å; M154-L158 PolarHBondContact O-N 3.4Å; M154-L158 HydrophobicContact SD-CG 4.41Å
155	K	86.3	Confident	85.2	Confident	40 Å²	40	65.7 Å²	65.7	17%	0.174	33%	0.333	C	S	.	.	H	α-helix	trans	-58.3	-45.7	173.7	-71.7	-172.5	179.1	-161.6	0	111.2	S151 V152 F157 L158 S159 D474 P513	S151-K155 WeakPolarHBondContact O-CG 3.39Å; S151-K155 PolarHBondContact O-N 3.33Å; V152-K155 PolarHBondContact O-N 2.91Å; K155-F157 VanDerWaalsContact C-N 3.34Å; K155-F157 PolarHBondContact O-N 3.13Å; K155-L158 PolarHBondContact O-N 3.42Å; K155-S159 PolarHBondContact O-N 3.43Å; K155-S159 PolarHBondContact O-OG 3.4Å; K155-D474 IonicContact NZ-OD1 3.84Å; K155-D474 PolarHBondContact NZ-OD1 3.17Å; K155-D474 IonicContact NZ-OD2 2.7Å; K155-D474 PolarHBondContact NZ-OD2 3.32Å; K155-P513 WeakPolarHBondContact O-CG 3.16Å
156	Q	86	Confident	85.3	Confident	126 Å²	126	72.3 Å²	72.3	59%	0.589	36%	0.364	S	S	*	.	H	α-helix	trans	-65.1	-36.7	176.2	-172.8	178.9	8.6	0	0	112.6	V152 M154 S159 N160	V152-Q156 WeakPolarHBondContact O-CB 3.5Å; V152-Q156 PolarHBondContact O-N 3.34Å; M154-Q156 VanDerWaalsContact C-N 3.33Å; M154-Q156 PolarHBondContact O-N 2.97Å; Q156-S159 PolarHBondContact O-OG 3.4Å; Q156-N160 PolarHBondContact O-ND2 3.19Å
157	F	86.4	Confident	85.7	Confident	46 Å²	46	68.8 Å²	68.8	20%	0.202	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-47.8	174.8	171.1	-106.2	0	0	0	111.4	D58 P59 E153 M154 K155 S159 N160 R161 L523	D58-F157 HydrophobicContact CB-CE2 4.38Å; D58-F157 HydrophobicContact CB-CZ 3.94Å; D58-F157 WeakPolarHBondContact OD1-CE2 3.34Å; P59-F157 VanDerWaalsContact CD-CZ 3.47Å; P59-F157 HydrophobicContact CG-CD1 3.91Å; P59-F157 HydrophobicContact CG-CE1 3.57Å; P59-F157 HydrophobicContact CG-CG 4.48Å; P59-F157 HydrophobicContact CG-CZ 3.93Å; E153-F157 WeakPolarHBondContact O-CB 3.39Å; E153-F157 PolarHBondContact O-N 2.69Å; M154-F157 WeakPolarHBondContact O-CB 3.37Å; M154-F157 PolarHBondContact O-N 3.26Å; M154-F157 HydrophobicContact SD-CD1 3.76Å; M154-F157 HydrophobicContact SD-CE1 4.48Å; K155-F157 VanDerWaalsContact C-N 3.34Å; K155-F157 PolarHBondContact O-N 3.13Å; F157-S159 VanDerWaalsContact C-N 3.35Å; F157-S159 PolarHBondContact O-N 3.03Å; F157-N160 PolarHBondContact O-N 2.88Å; F157-R161 HydrophobicContact CZ-CG 4.48Å; F157-L523 HydrophobicContact CE1-CD2 3.6Å; F157-L523 HydrophobicContact CZ-CD2 4.3Å
158	L	86.9	Confident	86.2	Confident	19 Å²	19	69.3 Å²	69.3	10%	0.099	35%	0.346	C	S	.	.	H	α-helix	trans	-64.9	-35.6	-179.1	-67.8	171.4	0	0	0	112.7	L149 M154 K155 N160 R161 P513 P516 L523	L149-L158 HydrophobicContact CB-CD1 4.21Å; L149-L158 HydrophobicContact CD2-CD1 4.14Å; M154-L158 HydrophobicContact CG-CD1 4.07Å; M154-L158 HydrophobicContact CG-CG 4.32Å; M154-L158 WeakPolarHBondContact O-CB 2.94Å; M154-L158 VanDerWaalsContact O-CG 3.24Å; M154-L158 WeakPolarHBondContact O-CG 3.36Å; M154-L158 PolarHBondContact O-N 3.4Å; M154-L158 HydrophobicContact SD-CG 4.41Å; K155-L158 PolarHBondContact O-N 3.42Å; L158-N160 PolarHBondContact O-N 2.79Å; L158-R161 WeakPolarHBondContact O-CB 3.36Å; L158-R161 PolarHBondContact O-N 3.48Å; L158-R161 VanDerWaalsContact O-N 3.13Å; L158-P513 HydrophobicContact CB-CB 4.3Å; L158-P513 HydrophobicContact CB-CG 4.11Å; L158-P516 HydrophobicContact CD2-CB 4.38Å; L158-P516 HydrophobicContact CD2-CG 4.21Å; L158-L523 HydrophobicContact CD2-CD1 3.83Å; L158-L523 HydrophobicContact CD2-CD2 4.31Å
159	S	83.6	Confident	86.5	Confident	66 Å²	66	70.3 Å²	70.3	46%	0.462	35%	0.35	S	S	.	.	H	α-helix	trans	-66	-24.3	177.8	66.8	0	0	0	0	113.7	K155 Q156 F157	K155-S159 PolarHBondContact O-N 3.43Å; K155-S159 PolarHBondContact O-OG 3.4Å; Q156-S159 PolarHBondContact O-OG 3.4Å; F157-S159 VanDerWaalsContact C-N 3.35Å; F157-S159 PolarHBondContact O-N 3.03Å
160	N	83.7	Confident	86.9	Confident	120 Å²	120	70 Å²	70	64%	0.642	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-11	176	-70.5	-49.6	0	0	0	113.4	Q156 F157 L158	Q156-N160 PolarHBondContact O-ND2 3.19Å; F157-N160 PolarHBondContact O-N 2.88Å; L158-N160 PolarHBondContact O-N 2.79Å
161	R	84.3	Confident	87.3	Confident	61 Å²	61	71.6 Å²	71.6	23%	0.23	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-75.1	138	179.9	-64.6	-169.1	73.9	83.5	-4.8	110.8	D58 F157 L158 D520	D58-R161 IonicContact OD2-CZ 2.66Å; D58-R161 IonicContact OD2-NH1 3.1Å; D58-R161 PolarHBondContact OD2-NH1 3.01Å; F157-R161 HydrophobicContact CZ-CG 4.48Å; L158-R161 WeakPolarHBondContact O-CB 3.36Å; L158-R161 PolarHBondContact O-N 3.48Å; L158-R161 VanDerWaalsContact O-N 3.13Å; R161-D520 WeakPolarHBondContact CD-OD2 3.35Å; R161-D520 IonicContact CZ-OD1 3.34Å; R161-D520 IonicContact CZ-OD2 2.84Å; R161-D520 IonicContact NE-OD1 2.75Å; R161-D520 IonicContact NE-OD2 2.76Å; R161-D520 PolarHBondContact NE-OD2 3.43Å; R161-D520 IonicContact NH2-OD1 3.78Å; R161-D520 PolarHBondContact NH2-OD1 3.07Å; R161-D520 IonicContact NH2-OD2 2.82Å; R161-D520 PolarHBondContact NH2-OD2 3.31Å
162	R	80	Confident	87.6	Confident	235 Å²	235	72.9 Å²	72.9	89%	0.887	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-98.1	139.9	177.7	-63.7	-174.8	-179.3	-171.6	-0.1	109.8
163	R	82.4	Confident	88.1	Confident	131 Å²	131	69.2 Å²	69.2	49%	0.494	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-65.7	144.8	170.2	-64.2	-179.1	76.9	171.2	13	109.6	S165 W169 E171	R163-S165 PolarHBondContact O-N 3.33Å; R163-W169 HydrophobicContact CB-CZ2 4.02Å; R163-W169 HydrophobicContact CG-CZ2 4.42Å; R163-E171 IonicContact CZ-OE2 3.63Å; R163-E171 VanDerWaalsContact CZ-OE2 3.25Å; R163-E171 IonicContact NH1-OE2 3.6Å; R163-E171 PolarHBondContact NH1-OE2 3.49Å; R163-E171 IonicContact NH2-OE1 3.85Å; R163-E171 PolarHBondContact NH2-OE1 3.37Å; R163-E171 IonicContact NH2-OE2 3.77Å; R163-E171 PolarHBondContact NH2-OE2 2.89Å
164	D	85	Confident	88.6	Confident	50 Å²	50	66.3 Å²	66.3	27%	0.267	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-62.1	124.3	173.5	-175.6	8.2	0	0	0	110	H166 W169 H380	D164-H166 IonicContact OD1-CG 3.77Å; D164-H166 PolarHBondContact OD1-N 3.09Å; D164-H166 IonicContact OD1-ND1 3.18Å; D164-H166 PolarHBondContact OD1-ND1 3.16Å; D164-W169 PolarHBondContact O-NE1 3.2Å; D164-H380 IonicContact OD2-CE1 3.05Å; D164-H380 PolarHBondContact OD2-CE1 2.89Å; D164-H380 IonicContact OD2-ND1 3.34Å; D164-H380 PolarHBondContact OD2-ND1 2.97Å
165	S	85.8	Confident	89	Confident	106 Å²	106	67.4 Å²	67.4	74%	0.741	34%	0.337	S	S	*	.	S	Bend	trans	-88.4	-14.1	-178.4	51	0	0	0	0	113.1	R163 M167	R163-S165 PolarHBondContact O-N 3.33Å; S165-M167 VanDerWaalsContact C-N 3.32Å
166	H	87.6	Confident	89.6	Confident	142 Å²	142	66.2 Å²	66.2	66%	0.657	33%	0.332	S	S	*	.	S	Bend	trans	-84.5	-12.3	178.3	-55.4	91	0	0	0	112.4	D164	D164-H166 IonicContact OD1-CG 3.77Å; D164-H166 PolarHBondContact OD1-N 3.09Å; D164-H166 IonicContact OD1-ND1 3.18Å; D164-H166 PolarHBondContact OD1-ND1 3.16Å
167	M	90.5	Very high	90.1	Very high	8 Å²	8	65.1 Å²	65.1	4%	0.039	33%	0.327	C	S	.	.	S	Bend	trans	-96	134.6	177.8	177.2	180	160.3	0	0	110.8	S165 W169 Q383 Q387 W519	S165-M167 VanDerWaalsContact C-N 3.32Å; M167-W169 HydrophobicContact CE-CD2 4.34Å; M167-W169 HydrophobicContact CE-CE3 4.08Å; M167-W169 HydrophobicContact CE-CZ3 4.4Å; M167-W169 HydrophobicContact SD-CZ2 4.41Å; M167-Q383 HydrophobicContact CE-CB 4.05Å; M167-Q383 HydrophobicContact CG-CB 4.28Å; M167-Q383 HydrophobicContact SD-CB 3.59Å; M167-Q383 VanDerWaalsContact SD-CB 3.59Å; M167-Q383 HydrophobicContact SD-CG 4.48Å; M167-Q383 PolarHBondContact SD-NE2 2.93Å; M167-Q383 VanDerWaalsContact SD-NE2 3.42Å; M167-Q387 HydrophobicContact CE-CB 3.63Å; M167-Q387 HydrophobicContact CE-CG 3.9Å; M167-W519 VanDerWaalsContact CE-CD1 3.42Å; M167-W519 HydrophobicContact CE-CD2 4.24Å; M167-W519 HydrophobicContact CE-CG 4.02Å; M167-W519 VanDerWaalsContact CE-NE1 3.31Å; M167-W519 HydrophobicContact SD-CB 4.11Å; M167-W519 HydrophobicContact SD-CD2 4.23Å; M167-W519 HydrophobicContact SD-CG 3.72Å
168	N	94.4	Very high	90.6	Very high	25 Å²	25	67.7 Å²	67.7	13%	0.134	34%	0.339	C	S	.	.			trans	-78.8	123.1	169.3	-169.1	-15.9	0	0	0	110.8	F170 D175	N168-F170 HydrophobicContact CB-CD2 4.36Å; N168-F170 HydrophobicContact CB-CE2 3.78Å; N168-F170 HydrophobicContact CB-CZ 4.1Å; N168-F170 WeakPolarHBondContact ND2-CZ 3.46Å; N168-F170 WeakPolarHBondContact O-CD2 3.39Å; N168-F170 PolarHBondContact OD1-N 3.23Å; N168-D175 PolarHBondContact ND2-O 3.41Å; N168-D175 WeakPolarHBondContact OD1-CB 3.49Å; N168-D175 PolarHBondContact OD1-O 2.9Å
169	W	93.8	Very high	91.1	Very high	22 Å²	22	67 Å²	67	8%	0.083	34%	0.335	C	S	.	.			trans	-94.3	-18.4	-172.9	-72.2	95	0	0	0	114.7	R163 D164 M167 E171 Q387 P517 W519	R163-W169 HydrophobicContact CB-CZ2 4.02Å; R163-W169 HydrophobicContact CG-CZ2 4.42Å; D164-W169 PolarHBondContact O-NE1 3.2Å; M167-W169 HydrophobicContact CE-CD2 4.34Å; M167-W169 HydrophobicContact CE-CE3 4.08Å; M167-W169 HydrophobicContact CE-CZ3 4.4Å; M167-W169 HydrophobicContact SD-CZ2 4.41Å; W169-E171 HydrophobicContact CB-CG 4.49Å; W169-E171 PolarHBondContact O-N 2.96Å; W169-E171 VanDerWaalsContact O-N 3.17Å; W169-Q387 WeakPolarHBondContact O-CG 3.32Å; W169-Q387 PolarHBondContact O-NE2 3.49Å; W169-P517 HydrophobicContact CH2-CB 3.63Å; W169-P517 HydrophobicContact CH2-CG 3.56Å; W169-P517 HydrophobicContact CZ3-CB 3.76Å; W169-P517 HydrophobicContact CZ3-CG 4.18Å; W169-W519 HydrophobicContact CH2-CB 4.3Å; W169-W519 AromaticContact CH2-CD1 3.57Å; W169-W519 HydrophobicContact CH2-CG 4.33Å; W169-W519 AromaticContact CZ3-CD1 3.39Å; W169-W519 HydrophobicContact CZ3-CG 4.49Å
170	F	95.8	Very high	91.8	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.009	32%	0.317	C	S	.	.			trans	56.2	25.3	-179.1	-61.9	-82.2	0	0	0	114.5	N168 W176 E179 G384 Q387 K388 M392	N168-F170 HydrophobicContact CB-CD2 4.36Å; N168-F170 HydrophobicContact CB-CE2 3.78Å; N168-F170 HydrophobicContact CB-CZ 4.1Å; N168-F170 WeakPolarHBondContact ND2-CZ 3.46Å; N168-F170 WeakPolarHBondContact O-CD2 3.39Å; N168-F170 PolarHBondContact OD1-N 3.23Å; F170-W176 HydrophobicContact CB-CZ2 4.02Å; F170-W176 AromaticContact CD1-CD2 3.76Å; F170-W176 HydrophobicContact CD1-CD2 3.76Å; F170-W176 AromaticContact CD1-CE2 3.9Å; F170-W176 AromaticContact CD1-CE3 3.87Å; F170-W176 HydrophobicContact CD1-CE3 3.87Å; F170-W176 HydrophobicContact CD1-CG 4.26Å; F170-W176 HydrophobicContact CD1-CH2 4.29Å; F170-W176 HydrophobicContact CD1-CZ2 4.17Å; F170-W176 HydrophobicContact CD1-CZ3 4.14Å; F170-W176 HydrophobicContact CE1-CE3 4.3Å; F170-W176 HydrophobicContact CG-CZ2 4.49Å; F170-W176 PolarHBondContact O-NE1 2.79Å; F170-E179 HydrophobicContact CE1-CB 3.64Å; F170-E179 HydrophobicContact CE1-CG 3.79Å; F170-E179 HydrophobicContact CZ-CB 4.03Å; F170-E179 HydrophobicContact CZ-CG 3.93Å; F170-G384 WeakPolarHBondContact CE2-O 3.45Å; F170-Q387 HydrophobicContact CD2-CG 4.37Å; F170-K388 HydrophobicContact CD1-CB 4.33Å; F170-K388 HydrophobicContact CD1-CD 4.22Å; F170-K388 HydrophobicContact CD1-CG 4.06Å; F170-K388 HydrophobicContact CD2-CB 3.76Å; F170-K388 HydrophobicContact CD2-CG 4.38Å; F170-K388 HydrophobicContact CE1-CB 4.29Å; F170-K388 HydrophobicContact CE1-CD 3.66Å; F170-K388 HydrophobicContact CE1-CG 3.99Å; F170-K388 HydrophobicContact CE2-CB 3.72Å; F170-K388 HydrophobicContact CE2-CD 4.37Å; F170-K388 HydrophobicContact CE2-CG 4.33Å; F170-K388 HydrophobicContact CG-CB 4.07Å; F170-K388 HydrophobicContact CG-CG 4.25Å; F170-K388 HydrophobicContact CZ-CB 4Å; F170-K388 HydrophobicContact CZ-CD 3.75Å; F170-K388 HydrophobicContact CZ-CG 4.13Å; F170-M392 HydrophobicContact CB-CB 4.5Å; F170-M392 HydrophobicContact CB-CG 3.72Å; F170-M392 WeakPolarHBondContact O-CE 3.42Å
171	E	91.9	Very high	92.4	Very high	59 Å²	59	66.5 Å²	66.5	28%	0.276	32%	0.323	S	S	.	.			trans	-97.6	-19.7	-177.1	-75.5	178.7	168.4	0	0	112.9	R163 W169 D175 M392 R463	R163-E171 IonicContact CZ-OE2 3.63Å; R163-E171 VanDerWaalsContact CZ-OE2 3.25Å; R163-E171 IonicContact NH1-OE2 3.6Å; R163-E171 PolarHBondContact NH1-OE2 3.49Å; R163-E171 IonicContact NH2-OE1 3.85Å; R163-E171 PolarHBondContact NH2-OE1 3.37Å; R163-E171 IonicContact NH2-OE2 3.77Å; R163-E171 PolarHBondContact NH2-OE2 2.89Å; W169-E171 HydrophobicContact CB-CG 4.49Å; W169-E171 PolarHBondContact O-N 2.96Å; W169-E171 VanDerWaalsContact O-N 3.17Å; E171-D175 PolarHBondContact N-OD2 3.03Å; E171-M392 HydrophobicContact CG-SD 4.18Å; E171-R463 IonicContact OE1-NH1 3.52Å
172	S	95	Very high	93	Very high	45 Å²	45	67.9 Å²	67.9	32%	0.315	33%	0.328	S	S	.	.	S	Bend	trans	-117.7	162	177.7	72.4	0	0	0	0	111.9	S174 D175 W176	S172-S174 VanDerWaalsContact C-N 3.27Å; S172-S174 PolarHBondContact O-N 2.82Å; S172-D175 PolarHBondContact N-OD2 3.4Å; S172-D175 WeakPolarHBondContact O-CB 3.35Å; S172-D175 PolarHBondContact O-N 3.47Å; S172-D175 PolarHBondContact OG-N 2.82Å; S172-D175 PolarHBondContact OG-OD1 2.75Å; S172-D175 PolarHBondContact OG-OD2 2.92Å; S172-W176 VanDerWaalsContact O-CD1 3.25Å
173	A	96.9	Very high	93.8	Very high	30 Å²	30	57.6 Å²	57.6	25%	0.248	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-39.3	174.8	0	0	0	0	0	112.4	D175 W176 E177 V190 F206	A173-D175 VanDerWaalsContact C-N 3.29Å; A173-D175 PolarHBondContact O-N 3.39Å; A173-W176 PolarHBondContact O-N 2.83Å; A173-W176 VanDerWaalsContact O-N 3.11Å; A173-E177 WeakPolarHBondContact O-CG 3.34Å; A173-E177 PolarHBondContact O-N 2.84Å; A173-V190 HydrophobicContact CB-CG1 4.12Å; A173-F206 HydrophobicContact CB-CD1 4.05Å; A173-F206 HydrophobicContact CB-CE1 3.9Å; A173-F206 HydrophobicContact CB-CZ 4.27Å
174	S	96.9	Very high	94.4	Very high	57 Å²	57	53.4 Å²	53.4	40%	0.399	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-36.3	179.3	-177.6	0	0	0	0	112.7	S172 W176 E177 Q178	S172-S174 VanDerWaalsContact C-N 3.27Å; S172-S174 PolarHBondContact O-N 2.82Å; S174-W176 VanDerWaalsContact C-N 3.3Å; S174-W176 PolarHBondContact O-N 2.81Å; S174-E177 PolarHBondContact O-N 3.26Å; S174-Q178 VanDerWaalsContact O-CG 3.29Å; S174-Q178 WeakPolarHBondContact O-CG 3.45Å; S174-Q178 PolarHBondContact O-N 3.13Å; S174-Q178 PolarHBondContact O-NE2 3.07Å; S174-Q178 PolarHBondContact OG-NE2 3.43Å
175	D	96.6	Very high	94.7	Very high	26 Å²	26	51.1 Å²	51.1	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-59.8	-41.6	175.6	-67.3	-32.4	0	0	0	111.8	N168 E171 S172 A173 E179	N168-D175 PolarHBondContact ND2-O 3.41Å; N168-D175 WeakPolarHBondContact OD1-CB 3.49Å; N168-D175 PolarHBondContact OD1-O 2.9Å; E171-D175 PolarHBondContact N-OD2 3.03Å; S172-D175 PolarHBondContact N-OD2 3.4Å; S172-D175 WeakPolarHBondContact O-CB 3.35Å; S172-D175 PolarHBondContact O-N 3.47Å; S172-D175 PolarHBondContact OG-N 2.82Å; S172-D175 PolarHBondContact OG-OD1 2.75Å; S172-D175 PolarHBondContact OG-OD2 2.92Å; A173-D175 VanDerWaalsContact C-N 3.29Å; A173-D175 PolarHBondContact O-N 3.39Å; D175-E179 PolarHBondContact O-N 3.34Å
176	W	97.9	Very high	95	Very high	15 Å²	15	51.6 Å²	51.6	6%	0.057	28%	0.275	C	S	.	.	H	α-helix	trans	-72.2	-37.9	176.9	-70.2	94.4	0	0	0	111.9	F170 S172 A173 S174 E179 L180 V190 F206 V208 K388 M392	F170-W176 HydrophobicContact CB-CZ2 4.02Å; F170-W176 AromaticContact CD1-CD2 3.76Å; F170-W176 HydrophobicContact CD1-CD2 3.76Å; F170-W176 AromaticContact CD1-CE2 3.9Å; F170-W176 AromaticContact CD1-CE3 3.87Å; F170-W176 HydrophobicContact CD1-CE3 3.87Å; F170-W176 HydrophobicContact CD1-CG 4.26Å; F170-W176 HydrophobicContact CD1-CH2 4.29Å; F170-W176 HydrophobicContact CD1-CZ2 4.17Å; F170-W176 HydrophobicContact CD1-CZ3 4.14Å; F170-W176 HydrophobicContact CE1-CE3 4.3Å; F170-W176 HydrophobicContact CG-CZ2 4.49Å; F170-W176 PolarHBondContact O-NE1 2.79Å; S172-W176 VanDerWaalsContact O-CD1 3.25Å; A173-W176 PolarHBondContact O-N 2.83Å; A173-W176 VanDerWaalsContact O-N 3.11Å; S174-W176 VanDerWaalsContact C-N 3.3Å; S174-W176 PolarHBondContact O-N 2.81Å; W176-E179 PolarHBondContact O-N 2.81Å; W176-L180 WeakPolarHBondContact O-CG 3.33Å; W176-L180 PolarHBondContact O-N 3Å; W176-V190 HydrophobicContact CB-CG1 4.15Å; W176-V190 HydrophobicContact CB-CG2 3.52Å; W176-F206 HydrophobicContact CG-CB 4.49Å; W176-V208 HydrophobicContact CB-CG2 4.44Å; W176-V208 HydrophobicContact CD2-CG2 4.24Å; W176-V208 HydrophobicContact CE3-CG2 3.56Å; W176-V208 HydrophobicContact CZ3-CG2 4.18Å; W176-K388 HydrophobicContact CH2-CG 3.87Å; W176-K388 HydrophobicContact CZ3-CD 4.15Å; W176-K388 HydrophobicContact CZ3-CG 3.96Å; W176-M392 HydrophobicContact CZ2-CB 4.19Å
177	E	97.8	Very high	95.2	Very high	103 Å²	103	45.5 Å²	45.5	48%	0.481	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-42.7	175.6	-70.5	167.3	176.9	0	0	111.9	A173 S174 E179 L180 E181 V190	A173-E177 WeakPolarHBondContact O-CG 3.34Å; A173-E177 PolarHBondContact O-N 2.84Å; S174-E177 PolarHBondContact O-N 3.26Å; E177-E179 VanDerWaalsContact C-N 3.26Å; E177-E179 PolarHBondContact O-N 2.99Å; E177-L180 WeakPolarHBondContact O-CB 3.48Å; E177-L180 PolarHBondContact O-N 3.2Å; E177-E181 PolarHBondContact O-N 3.34Å; E177-V190 HydrophobicContact CG-CB 4.48Å; E177-V190 HydrophobicContact CG-CG2 3.69Å
178	Q	96.7	Very high	95.4	Very high	99 Å²	99	45.4 Å²	45.4	46%	0.463	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-38.9	175	-73.9	171.1	52.3	0	0	111.7	S174 E181 R182	S174-Q178 VanDerWaalsContact O-CG 3.29Å; S174-Q178 WeakPolarHBondContact O-CG 3.45Å; S174-Q178 PolarHBondContact O-N 3.13Å; S174-Q178 PolarHBondContact O-NE2 3.07Å; S174-Q178 PolarHBondContact OG-NE2 3.43Å; Q178-E181 PolarHBondContact O-N 3.48Å; Q178-R182 WeakPolarHBondContact O-CB 3.36Å; Q178-R182 PolarHBondContact O-N 2.92Å
179	E	97.4	Very high	95.4	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.019	25%	0.249	C	C	.	.	H	α-helix	trans	-72.7	-36.1	178.2	-175.9	61	-176.4	0	0	112.8	F170 D175 W176 E177 E181 R182 C183 W233 Y376 K388	F170-E179 HydrophobicContact CE1-CB 3.64Å; F170-E179 HydrophobicContact CE1-CG 3.79Å; F170-E179 HydrophobicContact CZ-CB 4.03Å; F170-E179 HydrophobicContact CZ-CG 3.93Å; D175-E179 PolarHBondContact O-N 3.34Å; W176-E179 PolarHBondContact O-N 2.81Å; E177-E179 VanDerWaalsContact C-N 3.26Å; E177-E179 PolarHBondContact O-N 2.99Å; E179-E181 VanDerWaalsContact C-N 3.34Å; E179-R182 PolarHBondContact O-N 3.13Å; E179-R182 IonicContact OE1-CZ 3.41Å; E179-R182 IonicContact OE1-NE 3.46Å; E179-R182 PolarHBondContact OE1-NE 3.21Å; E179-R182 IonicContact OE1-NH2 2.82Å; E179-R182 PolarHBondContact OE1-NH2 2.97Å; E179-R182 IonicContact OE2-CZ 2.69Å; E179-R182 IonicContact OE2-NE 3.74Å; E179-R182 PolarHBondContact OE2-NE 3.19Å; E179-R182 IonicContact OE2-NH2 3.29Å; E179-C183 WeakPolarHBondContact O-CB 3.14Å; E179-C183 PolarHBondContact O-N 3.34Å; E179-C183 PolarHBondContact O-SG 3.34Å; E179-W233 HydrophobicContact CG-CH2 4.16Å; E179-W233 HydrophobicContact CG-CZ3 4.33Å; E179-Y376 PolarHBondContact OE1-OH 3.33Å; E179-K388 IonicContact OE1-NZ 3.81Å
180	L	97.5	Very high	95.6	Very high	14 Å²	14	46.3 Å²	46.3	7%	0.073	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-44.6	171.2	-75.9	174	0	0	0	111.4	W176 E177 C183 G184 A185 W188 V190 V208 W233	W176-L180 WeakPolarHBondContact O-CG 3.33Å; W176-L180 PolarHBondContact O-N 3Å; E177-L180 WeakPolarHBondContact O-CB 3.48Å; E177-L180 PolarHBondContact O-N 3.2Å; L180-C183 PolarHBondContact O-N 3.14Å; L180-G184 PolarHBondContact O-N 2.88Å; L180-A185 HydrophobicContact CD2-CB 3.61Å; L180-A185 PolarHBondContact O-N 3.06Å; L180-W188 HydrophobicContact CD2-CB 3.73Å; L180-V190 HydrophobicContact CD1-CG2 3.84Å; L180-V208 HydrophobicContact CD1-CG1 4.16Å; L180-V208 HydrophobicContact CD2-CG1 3.77Å; L180-V208 HydrophobicContact CG-CG1 4.38Å; L180-W233 HydrophobicContact CD2-CD2 4.09Å; L180-W233 HydrophobicContact CD2-CE3 3.9Å; L180-W233 HydrophobicContact CD2-CH2 3.85Å; L180-W233 HydrophobicContact CD2-CZ2 4.04Å; L180-W233 HydrophobicContact CD2-CZ3 3.78Å; L180-W233 HydrophobicContact CG-CZ3 4.38Å
181	E	97.2	Very high	95.7	Very high	163 Å²	163	46.2 Å²	46.2	76%	0.762	25%	0.252	S	S	*	.	H	α-helix	trans	-62.8	-48	176.9	-174.5	174.6	-168.5	0	0	111.1	E177 Q178 E179 C183 G184	E177-E181 PolarHBondContact O-N 3.34Å; Q178-E181 PolarHBondContact O-N 3.48Å; E179-E181 VanDerWaalsContact C-N 3.34Å; E181-C183 PolarHBondContact O-N 3.36Å; E181-G184 PolarHBondContact O-N 3.03Å
182	R	96.9	Very high	95.9	Very high	90 Å²	90	46.2 Å²	46.2	34%	0.34	26%	0.258	S	S	.	.	H	α-helix	trans	-56.2	-39.5	176.8	-168.8	-167	70.2	78.6	-2.2	112.3	Q178 E179 D373 Y376	Q178-R182 WeakPolarHBondContact O-CB 3.36Å; Q178-R182 PolarHBondContact O-N 2.92Å; E179-R182 PolarHBondContact O-N 3.13Å; E179-R182 IonicContact OE1-CZ 3.41Å; E179-R182 IonicContact OE1-NE 3.46Å; E179-R182 PolarHBondContact OE1-NE 3.21Å; E179-R182 IonicContact OE1-NH2 2.82Å; E179-R182 PolarHBondContact OE1-NH2 2.97Å; E179-R182 IonicContact OE2-CZ 2.69Å; E179-R182 IonicContact OE2-NE 3.74Å; E179-R182 PolarHBondContact OE2-NE 3.19Å; E179-R182 IonicContact OE2-NH2 3.29Å; R182-D373 IonicContact CZ-OD2 3.04Å; R182-D373 VanDerWaalsContact CZ-OD2 3.29Å; R182-D373 IonicContact NH1-OD1 3.28Å; R182-D373 PolarHBondContact NH1-OD1 3.18Å; R182-D373 IonicContact NH1-OD2 3.03Å; R182-D373 PolarHBondContact NH1-OD2 3.08Å; R182-D373 IonicContact NH2-OD2 3.88Å; R182-D373 PolarHBondContact NH2-OD2 3.41Å; R182-Y376 PolarHBondContact NH2-OH 2.88Å
183	C	95.6	Very high	96	Very high	19 Å²	19	44.8 Å²	44.8	13%	0.128	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.9	-180	-61.3	0	0	0	0	113.8	E179 L180 E181 A185 W233 R236	E179-C183 WeakPolarHBondContact O-CB 3.14Å; E179-C183 PolarHBondContact O-N 3.34Å; E179-C183 PolarHBondContact O-SG 3.34Å; L180-C183 PolarHBondContact O-N 3.14Å; E181-C183 PolarHBondContact O-N 3.36Å; C183-A185 VanDerWaalsContact C-N 3.26Å; C183-A185 HydrophobicContact CB-CB 4.35Å; C183-A185 PolarHBondContact O-N 3.35Å; C183-W233 HydrophobicContact CB-CH2 4.19Å; C183-W233 HydrophobicContact CB-CZ2 3.92Å; C183-R236 HydrophobicContact CB-CB 4.16Å
184	G	94.4	Very high	96	Very high	42 Å²	42	43.4 Å²	43.4	43%	0.433	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	32.1	-174.7	0	0	0	0	0	113.6	L180 E181 T186	L180-G184 PolarHBondContact O-N 2.88Å; E181-G184 PolarHBondContact O-N 3.03Å; G184-T186 VanDerWaalsContact C-N 3.32Å; G184-T186 PolarHBondContact O-N 3.19Å; G184-T186 VanDerWaalsContact O-N 3.14Å
185	A	92.9	Very high	95.9	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.017	24%	0.236	C	C	.	.			trans	-89	55.8	-172	0	0	0	0	0	112.9	L180 C183 S187 W188 W233 R236	L180-A185 HydrophobicContact CD2-CB 3.61Å; L180-A185 PolarHBondContact O-N 3.06Å; C183-A185 VanDerWaalsContact C-N 3.26Å; C183-A185 HydrophobicContact CB-CB 4.35Å; C183-A185 PolarHBondContact O-N 3.35Å; A185-S187 PolarHBondContact O-N 3.42Å; A185-S187 VanDerWaalsContact O-N 3.12Å; A185-W188 WeakPolarHBondContact O-CB 3.15Å; A185-W188 PolarHBondContact O-N 3.38Å; A185-W188 VanDerWaalsContact O-N 3.12Å; A185-W233 HydrophobicContact CB-CZ2 3.68Å; A185-R236 HydrophobicContact CB-CB 4.05Å
186	T	91.4	Very high	95.8	Very high	116 Å²	116	51.3 Å²	51.3	71%	0.712	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.8	-172.3	63.1	0	0	0	0	115.3	G184	G184-T186 VanDerWaalsContact C-N 3.32Å; G184-T186 PolarHBondContact O-N 3.19Å; G184-T186 VanDerWaalsContact O-N 3.14Å
187	S	90.9	Very high	95.7	Very high	14 Å²	14	51.3 Å²	51.3	10%	0.098	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	2.7	174.2	57.4	0	0	0	0	113.4	A185 Q211	A185-S187 PolarHBondContact O-N 3.42Å; A185-S187 VanDerWaalsContact O-N 3.12Å; S187-Q211 WeakPolarHBondContact O-CB 3.3Å; S187-Q211 PolarHBondContact O-N 3.44Å
188	W	94.9	Very high	95.6	Very high	6 Å²	6	53.3 Å²	53.3	2%	0.023	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	147.8	-174.5	-62.7	93	0	0	0	110.8	L180 A185 V208 V209 P210 Q211 W233 D242 L244 C270	L180-W188 HydrophobicContact CD2-CB 3.73Å; A185-W188 WeakPolarHBondContact O-CB 3.15Å; A185-W188 PolarHBondContact O-N 3.38Å; A185-W188 VanDerWaalsContact O-N 3.12Å; W188-V208 HydrophobicContact CB-CG1 3.73Å; W188-V208 HydrophobicContact CE3-CG1 4.23Å; W188-V208 HydrophobicContact CG-CG1 4.41Å; W188-V209 WeakPolarHBondContact CA-O 3.14Å; W188-P210 HydrophobicContact CE3-CG 4.27Å; W188-P210 HydrophobicContact CH2-CG 4.06Å; W188-P210 HydrophobicContact CZ3-CB 4.45Å; W188-P210 HydrophobicContact CZ3-CG 3.68Å; W188-Q211 PolarHBondContact O-OE1 3.35Å; W188-W233 AromaticContact CD1-CD1 3.72Å; W188-W233 AromaticContact CD1-NE1 3.93Å; W188-W233 HydrophobicContact CD2-CB 3.68Å; W188-W233 AromaticContact CD2-CD1 3.62Å; W188-W233 AromaticContact CD2-CG 3.81Å; W188-W233 HydrophobicContact CD2-CG 3.81Å; W188-W233 AromaticContact CE2-CD1 3.42Å; W188-W233 VanDerWaalsContact CE2-CD1 3.42Å; W188-W233 HydrophobicContact CE3-CB 3.42Å; W188-W233 VanDerWaalsContact CE3-CB 3.42Å; W188-W233 HydrophobicContact CE3-CG 4.09Å; W188-W233 HydrophobicContact CG-CB 4.32Å; W188-W233 AromaticContact CG-CD1 3.83Å; W188-W233 HydrophobicContact CG-CG 4.05Å; W188-W233 HydrophobicContact CH2-CB 4.19Å; W188-W233 HydrophobicContact CZ2-CB 4.37Å; W188-W233 AromaticContact CZ2-CD1 3.97Å; W188-W233 HydrophobicContact CZ3-CB 3.69Å; W188-W233 AromaticContact NE1-CD1 3.46Å; W188-W233 AromaticContact NE1-NE1 3.91Å; W188-D242 HydrophobicContact CZ2-CB 3.97Å; W188-D242 PolarHBondContact NE1-OD1 3.31Å; W188-D242 VanDerWaalsContact NE1-OD1 3.11Å; W188-D242 PolarHBondContact NE1-OD2 3.45Å; W188-D242 VanDerWaalsContact NE1-OD2 3.08Å; W188-L244 HydrophobicContact CH2-CD1 3.96Å; W188-L244 HydrophobicContact CH2-CD2 3.19Å; W188-L244 HydrophobicContact CH2-CG 4.21Å; W188-L244 HydrophobicContact CZ2-CD2 3.5Å; W188-L244 HydrophobicContact CZ3-CD2 3.97Å; W188-C270 HydrophobicContact CZ2-CB 4.25Å; W188-C270 WeakPolarHBondContact CZ2-SG 3.46Å
189	R	95.9	Very high	95.5	Very high	42 Å²	42	50.8 Å²	50.8	16%	0.158	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	154	176.2	68.3	-179	-175.4	79.9	2.7	111.8	V208 V209 V213 D215	R189-V208 WeakPolarHBondContact O-CA 3.35Å; R189-V209 HydrophobicContact CG-CG2 3.85Å; R189-V209 PolarHBondContact N-O 2.94Å; R189-V209 PolarHBondContact O-N 2.94Å; R189-V213 VanDerWaalsContact CZ-O 3.29Å; R189-V213 PolarHBondContact NE-O 2.96Å; R189-V213 VanDerWaalsContact NE-O 3.08Å; R189-V213 PolarHBondContact NH2-O 2.9Å; R189-D215 IonicContact CZ-OD1 2.82Å; R189-D215 IonicContact NH1-OD1 2.89Å; R189-D215 PolarHBondContact NH1-OD1 2.72Å; R189-D215 IonicContact NH2-OD1 2.61Å; R189-D215 PolarHBondContact NH2-OD1 3Å
190	V	97.9	Very high	95.4	Very high	25 Å²	25	50.8 Å²	50.8	15%	0.152	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131.5	166.2	-171.8	0	0	0	0	108.9	A173 W176 E177 L180 F206	A173-V190 HydrophobicContact CB-CG1 4.12Å; W176-V190 HydrophobicContact CB-CG1 4.15Å; W176-V190 HydrophobicContact CB-CG2 3.52Å; E177-V190 HydrophobicContact CG-CB 4.48Å; E177-V190 HydrophobicContact CG-CG2 3.69Å; L180-V190 HydrophobicContact CD1-CG2 3.84Å; V190-F206 HydrophobicContact CG1-CB 3.94Å; V190-F206 HydrophobicContact CG1-CD1 4.15Å; V190-F206 HydrophobicContact CG1-CG 4.35Å
191	S	97.1	Very high	95.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.5	174.7	173.1	0	0	0	0	109.8	V193 F206 I207 D215	S191-V193 VanDerWaalsContact C-N 3.32Å; S191-V193 VanDerWaalsContact OG-CB 3.28Å; S191-V193 WeakPolarHBondContact OG-CB 3.3Å; S191-V193 VanDerWaalsContact OG-CG1 3.31Å; S191-V193 WeakPolarHBondContact OG-CG1 3.4Å; S191-V193 PolarHBondContact OG-N 3.5Å; S191-V193 VanDerWaalsContact OG-N 3.13Å; S191-F206 WeakPolarHBondContact O-CA 3.35Å; S191-I207 PolarHBondContact N-O 3.09Å; S191-I207 PolarHBondContact O-N 3.3Å; S191-I207 VanDerWaalsContact O-N 3.12Å; S191-D215 WeakPolarHBondContact CB-OD1 3.38Å; S191-D215 VanDerWaalsContact OG-CG 3.28Å; S191-D215 PolarHBondContact OG-OD1 3.22Å; S191-D215 PolarHBondContact OG-OD2 3.32Å
192	S	96.9	Very high	95.2	Very high	59 Å²	59	46.6 Å²	46.6	41%	0.413	24%	0.243	S	C	.	.			trans	-95	16.7	172.2	60.9	0	0	0	0	112.3	N194 D195	S192-N194 PolarHBondContact O-N 3.16Å; S192-D195 WeakPolarHBondContact O-CB 3.45Å; S192-D195 PolarHBondContact O-N 3.26Å
193	V	96.8	Very high	95.2	Very high	14 Å²	14	42.4 Å²	42.4	9%	0.085	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.1	-177.3	72.4	0	0	0	0	113.3	S191 M199 I207 D215 K219 F222	S191-V193 VanDerWaalsContact C-N 3.32Å; S191-V193 VanDerWaalsContact OG-CB 3.28Å; S191-V193 WeakPolarHBondContact OG-CB 3.3Å; S191-V193 VanDerWaalsContact OG-CG1 3.31Å; S191-V193 WeakPolarHBondContact OG-CG1 3.4Å; S191-V193 PolarHBondContact OG-N 3.5Å; S191-V193 VanDerWaalsContact OG-N 3.13Å; V193-M199 HydrophobicContact CG2-CG 4.26Å; V193-M199 VanDerWaalsContact O-CG 3.22Å; V193-M199 WeakPolarHBondContact O-CG 3.45Å; V193-I207 HydrophobicContact CG1-CD1 3.91Å; V193-I207 HydrophobicContact CG1-CG1 4.26Å; V193-D215 HydrophobicContact CB-CB 4.2Å; V193-D215 HydrophobicContact CG2-CB 4.04Å; V193-K219 HydrophobicContact CG2-CD 4.39Å; V193-K219 HydrophobicContact CG2-CG 3.65Å; V193-F222 HydrophobicContact CG1-CE2 3.98Å; V193-F222 HydrophobicContact CG1-CZ 3.82Å
194	N	96.8	Very high	95.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	20.7	180	-161.6	46.8	0	0	0	113.5	S192 R196 F197 M199 S200 S204 K205	S192-N194 PolarHBondContact O-N 3.16Å; N194-R196 PolarHBondContact O-N 2.95Å; N194-R196 VanDerWaalsContact O-N 3.13Å; N194-F197 PolarHBondContact O-N 3.13Å; N194-F197 WeakPolarHBondContact OD1-CA 3.35Å; N194-M199 HydrophobicContact CB-CB 4.45Å; N194-M199 WeakPolarHBondContact OD1-CB 3.47Å; N194-M199 PolarHBondContact OD1-N 2.96Å; N194-M199 VanDerWaalsContact OD1-N 3.13Å; N194-S200 PolarHBondContact ND2-O 3.22Å; N194-S200 PolarHBondContact OD1-N 3.31Å; N194-S200 PolarHBondContact OD1-O 2.99Å; N194-S204 PolarHBondContact ND2-O 3.06Å; N194-K205 CarbonylContact C-O 3.59Å; N194-K205 VanDerWaalsContact C-O 3.27Å; N194-K205 WeakPolarHBondContact O-CA 3.19Å
195	D	95.4	Very high	95.2	Very high	76 Å²	76	43.1 Å²	43.1	41%	0.406	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.1	-175.9	70.4	-23.4	0	0	0	114.6	S192 K205	S192-D195 WeakPolarHBondContact O-CB 3.45Å; S192-D195 PolarHBondContact O-N 3.26Å; D195-K205 PolarHBondContact N-O 3.43Å; D195-K205 WeakPolarHBondContact O-CG 3.47Å
196	R	94.5	Very high	95.5	Very high	174 Å²	174	44.8 Å²	44.8	66%	0.657	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	2.5	176	-66.3	176.5	-172.9	-157.1	-0.8	114.2	N194 E198	N194-R196 PolarHBondContact O-N 2.95Å; N194-R196 VanDerWaalsContact O-N 3.13Å; R196-E198 HydrophobicContact CB-CG 3.9Å; R196-E198 WeakPolarHBondContact CD-OE1 3.48Å; R196-E198 PolarHBondContact O-N 2.82Å
197	F	95.4	Very high	95.7	Very high	15 Å²	15	39.5 Å²	39.5	7%	0.066	19%	0.191	C	C	.	.	S	Bend	trans	61.3	20	-175.1	-47.9	-80.2	0	0	0	114.5	N194 S200 N201 L203 K205 Q460 R461	N194-F197 PolarHBondContact O-N 3.13Å; N194-F197 WeakPolarHBondContact OD1-CA 3.35Å; F197-S200 CarbonylContact O-C 3.51Å; F197-N201 PolarHBondContact O-OD1 3.47Å; F197-L203 WeakPolarHBondContact CD1-O 3.4Å; F197-L203 WeakPolarHBondContact CE1-O 3.36Å; F197-K205 HydrophobicContact CE1-CG 3.73Å; F197-K205 HydrophobicContact CE2-CD 4.49Å; F197-K205 HydrophobicContact CE2-CG 3.97Å; F197-K205 HydrophobicContact CZ-CD 4.16Å; F197-K205 HydrophobicContact CZ-CG 3.37Å; F197-Q460 HydrophobicContact CE1-CB 4.02Å; F197-Q460 HydrophobicContact CE1-CG 4.26Å; F197-Q460 HydrophobicContact CZ-CB 4.2Å; F197-Q460 HydrophobicContact CZ-CG 4.01Å; F197-R461 HydrophobicContact CB-CB 4.27Å; F197-R461 HydrophobicContact CB-CG 4.02Å; F197-R461 HydrophobicContact CD1-CB 3.79Å; F197-R461 HydrophobicContact CD1-CG 4.38Å; F197-R461 HydrophobicContact CD2-CB 3.87Å; F197-R461 HydrophobicContact CD2-CG 3.69Å; F197-R461 HydrophobicContact CE1-CB 3.98Å; F197-R461 HydrophobicContact CE2-CB 4.05Å; F197-R461 HydrophobicContact CE2-CG 4.19Å; F197-R461 HydrophobicContact CG-CB 3.71Å; F197-R461 HydrophobicContact CG-CG 3.78Å; F197-R461 HydrophobicContact CZ-CB 4.09Å
198	E	94.4	Very high	96	Very high	145 Å²	145	38.9 Å²	38.9	68%	0.678	19%	0.187	S	C	*	.	S	Bend	trans	-73.7	-30.2	-178.3	-69.7	172.8	-169.2	0	0	112.3	R196	R196-E198 HydrophobicContact CB-CG 3.9Å; R196-E198 WeakPolarHBondContact CD-OE1 3.48Å; R196-E198 PolarHBondContact O-N 2.82Å
199	M	94.4	Very high	96	Very high	46 Å²	46	38.6 Å²	38.6	23%	0.227	19%	0.186	C	C	.	.	S	Bend	trans	-83.8	-41.2	-177.6	-54.2	-56.4	-56.3	0	0	111.7	V193 N194 K219 F222	V193-M199 HydrophobicContact CG2-CG 4.26Å; V193-M199 VanDerWaalsContact O-CG 3.22Å; V193-M199 WeakPolarHBondContact O-CG 3.45Å; N194-M199 HydrophobicContact CB-CB 4.45Å; N194-M199 WeakPolarHBondContact OD1-CB 3.47Å; N194-M199 PolarHBondContact OD1-N 2.96Å; N194-M199 VanDerWaalsContact OD1-N 3.13Å; M199-K219 VanDerWaalsContact CE-CA 3.44Å; M199-K219 HydrophobicContact CE-CB 3.69Å; M199-K219 HydrophobicContact CE-CG 3.6Å; M199-K219 VanDerWaalsContact CE-O 3.28Å; M199-K219 WeakPolarHBondContact CE-O 3.39Å; M199-K219 HydrophobicContact SD-CD 4.41Å; M199-K219 HydrophobicContact SD-CG 3.87Å; M199-F222 HydrophobicContact CB-CD1 3.48Å; M199-F222 VanDerWaalsContact CB-CD1 3.48Å; M199-F222 HydrophobicContact CB-CD2 4.09Å; M199-F222 HydrophobicContact CB-CE1 3.55Å; M199-F222 HydrophobicContact CB-CE2 4.13Å; M199-F222 HydrophobicContact CB-CG 3.8Å; M199-F222 HydrophobicContact CB-CZ 3.88Å; M199-F222 HydrophobicContact CE-CB 3.93Å; M199-F222 HydrophobicContact CE-CD2 3.59Å; M199-F222 HydrophobicContact CE-CE2 4.25Å; M199-F222 HydrophobicContact CE-CG 3.81Å; M199-F222 HydrophobicContact CG-CE2 4.47Å; M199-F222 WeakPolarHBondContact O-CD1 3.26Å
200	S	96.1	Very high	95.9	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.021	18%	0.178	C	C	.	.			trans	-144.8	122.1	171	174.8	0	0	0	0	110.3	N194 F197 S202 L203 E227	N194-S200 PolarHBondContact ND2-O 3.22Å; N194-S200 PolarHBondContact OD1-N 3.31Å; N194-S200 PolarHBondContact OD1-O 2.99Å; F197-S200 CarbonylContact O-C 3.51Å; S200-S202 PolarHBondContact O-N 3.28Å; S200-S202 PolarHBondContact OG-N 3.48Å; S200-S202 PolarHBondContact OG-OG 3.29Å; S200-L203 PolarHBondContact OG-N 3.36Å; S200-E227 WeakPolarHBondContact CB-O 3.18Å; S200-E227 PolarHBondContact OG-O 3.09Å
201	N	95.8	Very high	95.7	Very high	85 Å²	85	40.3 Å²	40.3	46%	0.455	19%	0.194	S	C	.	.	S	Bend	trans	-71.6	-16.5	178.3	-71.9	-38.1	0	0	0	113.2	F197 C459 R461	F197-N201 PolarHBondContact O-OD1 3.47Å; N201-C459 PolarHBondContact O-SG 3.16Å; N201-R461 PolarHBondContact ND2-NH1 2.65Å; N201-R461 PolarHBondContact OD1-NH1 3.43Å
202	S	95.7	Very high	95.3	Very high	5 Å²	5	48.6 Å²	48.6	4%	0.035	23%	0.23	C	C	.	.	S	Bend	trans	-107.6	-13.3	-176.3	64.2	0	0	0	0	114.3	S200 E227 R229 R358	S200-S202 PolarHBondContact O-N 3.28Å; S200-S202 PolarHBondContact OG-N 3.48Å; S200-S202 PolarHBondContact OG-OG 3.29Å; S202-E227 WeakPolarHBondContact CB-OE2 3.33Å; S202-E227 PolarHBondContact OG-OE2 2.81Å; S202-R229 PolarHBondContact O-NH1 3.07Å; S202-R229 VanDerWaalsContact O-NH1 3.14Å; S202-R229 WeakPolarHBondContact OG-CD 3.36Å; S202-R229 PolarHBondContact OG-NH1 2.96Å; S202-R358 VanDerWaalsContact CB-NH1 3.31Å
203	L	95.6	Very high	95	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	21%	0.211	C	C	.	.	S	Bend	trans	-83.1	165.9	171.1	-72.6	174.5	0	0	0	112.8	F197 S200 I207 F222 R229	F197-L203 WeakPolarHBondContact CD1-O 3.4Å; F197-L203 WeakPolarHBondContact CE1-O 3.36Å; S200-L203 PolarHBondContact OG-N 3.36Å; L203-I207 HydrophobicContact CB-CG2 4.44Å; L203-I207 HydrophobicContact CD1-CG2 4.32Å; L203-F222 HydrophobicContact CD1-CE1 4.18Å; L203-R229 HydrophobicContact CD1-CG 4.42Å; L203-R229 HydrophobicContact CD2-CG 4.3Å; L203-R229 HydrophobicContact CG-CG 4.06Å
204	S	95.3	Very high	94.7	Very high	5 Å²	5	50.1 Å²	50.1	4%	0.035	23%	0.233	C	C	.	.			trans	-68.9	164.2	169.6	46.6	0	0	0	0	112.6	N194 F206 M392 Q460	N194-S204 PolarHBondContact ND2-O 3.06Å; S204-F206 VanDerWaalsContact C-N 3.26Å; S204-F206 PolarHBondContact O-N 3.48Å; S204-F206 PolarHBondContact OG-O 3.03Å; S204-M392 WeakPolarHBondContact CB-O 3.47Å; S204-Q460 VanDerWaalsContact CB-OE1 3.31Å
205	K	96	Very high	94.6	Very high	70 Å²	70	52.2 Å²	52.2	30%	0.304	24%	0.244	S	C	.	.	S	Bend	trans	-57	-41.9	172.9	-69.7	-171.4	175.4	-177.6	0	112.5	N194 D195 F197	N194-K205 CarbonylContact C-O 3.59Å; N194-K205 VanDerWaalsContact C-O 3.27Å; N194-K205 WeakPolarHBondContact O-CA 3.19Å; D195-K205 PolarHBondContact N-O 3.43Å; D195-K205 WeakPolarHBondContact O-CG 3.47Å; F197-K205 HydrophobicContact CE1-CG 3.73Å; F197-K205 HydrophobicContact CE2-CD 4.49Å; F197-K205 HydrophobicContact CE2-CG 3.97Å; F197-K205 HydrophobicContact CZ-CD 4.16Å; F197-K205 HydrophobicContact CZ-CG 3.37Å
206	F	97.4	Very high	94.3	Very high	38 Å²	38	53.3 Å²	53.3	17%	0.167	25%	0.254	C	S	.	.			trans	-109.5	133.7	-179.5	-56.5	-71.2	0	0	0	109.1	A173 W176 V190 S191 S204	A173-F206 HydrophobicContact CB-CD1 4.05Å; A173-F206 HydrophobicContact CB-CE1 3.9Å; A173-F206 HydrophobicContact CB-CZ 4.27Å; W176-F206 HydrophobicContact CG-CB 4.49Å; V190-F206 HydrophobicContact CG1-CB 3.94Å; V190-F206 HydrophobicContact CG1-CD1 4.15Å; V190-F206 HydrophobicContact CG1-CG 4.35Å; S191-F206 WeakPolarHBondContact O-CA 3.35Å; S204-F206 VanDerWaalsContact C-N 3.26Å; S204-F206 PolarHBondContact O-N 3.48Å; S204-F206 PolarHBondContact OG-O 3.03Å
207	I	96.8	Very high	93.9	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	155	173.8	58.9	168.3	0	0	0	109.3	S191 V193 L203 V209 F222 I230	S191-I207 PolarHBondContact N-O 3.09Å; S191-I207 PolarHBondContact O-N 3.3Å; S191-I207 VanDerWaalsContact O-N 3.12Å; V193-I207 HydrophobicContact CG1-CD1 3.91Å; V193-I207 HydrophobicContact CG1-CG1 4.26Å; L203-I207 HydrophobicContact CB-CG2 4.44Å; L203-I207 HydrophobicContact CD1-CG2 4.32Å; I207-V209 HydrophobicContact CD1-CG1 3.86Å; I207-V209 HydrophobicContact CG1-CG1 4.05Å; I207-F222 HydrophobicContact CD1-CE1 4.47Å; I207-F222 HydrophobicContact CD1-CZ 3.71Å; I207-I230 HydrophobicContact CD1-CD1 3.91Å; I207-I230 HydrophobicContact CD1-CG1 4.31Å
208	V	97.1	Very high	93.6	Very high	1 Å²	1	47 Å²	47	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.1	179.8	-178.4	0	0	0	0	110.1	W176 L180 W188 R189 R232 W233	W176-V208 HydrophobicContact CB-CG2 4.44Å; W176-V208 HydrophobicContact CD2-CG2 4.24Å; W176-V208 HydrophobicContact CE3-CG2 3.56Å; W176-V208 HydrophobicContact CZ3-CG2 4.18Å; L180-V208 HydrophobicContact CD1-CG1 4.16Å; L180-V208 HydrophobicContact CD2-CG1 3.77Å; L180-V208 HydrophobicContact CG-CG1 4.38Å; W188-V208 HydrophobicContact CB-CG1 3.73Å; W188-V208 HydrophobicContact CE3-CG1 4.23Å; W188-V208 HydrophobicContact CG-CG1 4.41Å; R189-V208 WeakPolarHBondContact O-CA 3.35Å; V208-R232 WeakPolarHBondContact O-CA 3.45Å; V208-R232 WeakPolarHBondContact O-CB 3.47Å; V208-W233 HydrophobicContact CB-CB 3.95Å; V208-W233 HydrophobicContact CB-CE3 3.98Å; V208-W233 HydrophobicContact CG1-CB 3.61Å; V208-W233 HydrophobicContact CG1-CD2 4Å; V208-W233 HydrophobicContact CG1-CE3 3.75Å; V208-W233 HydrophobicContact CG1-CG 4Å; V208-W233 HydrophobicContact CG2-CE3 4.07Å; V208-W233 PolarHBondContact O-N 2.86Å
209	V	95.3	Very high	93.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	162.6	-170.3	-62.4	0	0	0	0	110.2	W188 R189 I207 Q211 L218 I230	W188-V209 WeakPolarHBondContact CA-O 3.14Å; R189-V209 HydrophobicContact CG-CG2 3.85Å; R189-V209 PolarHBondContact N-O 2.94Å; R189-V209 PolarHBondContact O-N 2.94Å; I207-V209 HydrophobicContact CD1-CG1 3.86Å; I207-V209 HydrophobicContact CG1-CG1 4.05Å; V209-Q211 PolarHBondContact O-N 3.32Å; V209-L218 HydrophobicContact CB-CD1 3.94Å; V209-L218 HydrophobicContact CB-CD2 4.34Å; V209-L218 HydrophobicContact CG1-CD1 3.89Å; V209-L218 HydrophobicContact CG1-CD2 4.21Å; V209-L218 HydrophobicContact CG2-CD1 3.65Å; V209-I230 HydrophobicContact CG1-CD1 4.46Å
210	P	94.1	Very high	93	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	138	-178.4	-22.3	33.2	0	0	0	111.6	W188 K212 V213 V266	W188-P210 HydrophobicContact CE3-CG 4.27Å; W188-P210 HydrophobicContact CH2-CG 4.06Å; W188-P210 HydrophobicContact CZ3-CB 4.45Å; W188-P210 HydrophobicContact CZ3-CG 3.68Å; P210-K212 PolarHBondContact O-N 2.89Å; P210-V213 HydrophobicContact CB-CG2 3.99Å; P210-V213 HydrophobicContact CG-CG2 4.27Å; P210-V213 PolarHBondContact O-N 3.37Å; P210-V213 VanDerWaalsContact O-N 3.1Å; P210-V266 VanDerWaalsContact CG-O 3.28Å; P210-V266 WeakPolarHBondContact CG-O 3.3Å
211	Q	92.6	Very high	92.5	Very high	103 Å²	103	48.8 Å²	48.8	48%	0.481	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-34.7	-174.4	-178.3	69.7	41.1	0	0	113.1	S187 W188 V209	S187-Q211 WeakPolarHBondContact O-CB 3.3Å; S187-Q211 PolarHBondContact O-N 3.44Å; W188-Q211 PolarHBondContact O-OE1 3.35Å; V209-Q211 PolarHBondContact O-N 3.32Å
212	K	89.6	Confident	92.3	Very high	174 Å²	174	45 Å²	45	76%	0.757	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-18.1	-173.8	-65	-178.8	179.8	176	0	114.4	P210	P210-K212 PolarHBondContact O-N 2.89Å
213	V	89.9	Confident	91.9	Very high	3 Å²	3	48 Å²	48	2%	0.018	24%	0.241	C	C	.	.	S	Bend	trans	-87.3	130.6	-175.6	-172.9	0	0	0	0	108.6	R189 P210 E217 L218 M265 V266	R189-V213 VanDerWaalsContact CZ-O 3.29Å; R189-V213 PolarHBondContact NE-O 2.96Å; R189-V213 VanDerWaalsContact NE-O 3.08Å; R189-V213 PolarHBondContact NH2-O 2.9Å; P210-V213 HydrophobicContact CB-CG2 3.99Å; P210-V213 HydrophobicContact CG-CG2 4.27Å; P210-V213 PolarHBondContact O-N 3.37Å; P210-V213 VanDerWaalsContact O-N 3.1Å; V213-E217 HydrophobicContact CG1-CB 4.11Å; V213-L218 HydrophobicContact CB-CD2 4.42Å; V213-L218 HydrophobicContact CG1-CD2 3.7Å; V213-L218 HydrophobicContact CG1-CG 3.72Å; V213-M265 HydrophobicContact CG2-CB 3.92Å; V213-M265 WeakPolarHBondContact CG2-O 3.17Å; V213-V266 HydrophobicContact CG1-CG2 4.46Å
214	L	91.1	Very high	91.5	Very high	103 Å²	103	48.5 Å²	48.5	54%	0.539	24%	0.243	S	C	.	.			trans	-85	153.2	179.4	-62.4	176.6	0	0	0	111.7	T216 E217 L218	L214-T216 PolarHBondContact O-N 3.44Å; L214-E217 HydrophobicContact CB-CG 4.26Å; L214-E217 PolarHBondContact N-OE2 3.13Å; L214-E217 WeakPolarHBondContact O-CB 3.2Å; L214-E217 PolarHBondContact O-N 3.37Å; L214-L218 WeakPolarHBondContact O-CG 3.43Å; L214-L218 PolarHBondContact O-N 3.2Å
215	D	93.6	Very high	91.3	Very high	44 Å²	44	48.6 Å²	48.6	24%	0.235	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-33.7	178.4	-75.2	-0.9	0	0	0	112.4	R189 S191 V193 E217 L218 K219	R189-D215 IonicContact CZ-OD1 2.82Å; R189-D215 IonicContact NH1-OD1 2.89Å; R189-D215 PolarHBondContact NH1-OD1 2.72Å; R189-D215 IonicContact NH2-OD1 2.61Å; R189-D215 PolarHBondContact NH2-OD1 3Å; S191-D215 WeakPolarHBondContact CB-OD1 3.38Å; S191-D215 VanDerWaalsContact OG-CG 3.28Å; S191-D215 PolarHBondContact OG-OD1 3.22Å; S191-D215 PolarHBondContact OG-OD2 3.32Å; V193-D215 HydrophobicContact CB-CB 4.2Å; V193-D215 HydrophobicContact CG2-CB 4.04Å; D215-E217 VanDerWaalsContact C-N 3.27Å; D215-E217 PolarHBondContact O-N 3.31Å; D215-L218 PolarHBondContact O-N 3.33Å; D215-K219 VanDerWaalsContact O-CG 3.29Å; D215-K219 WeakPolarHBondContact O-CG 3.38Å; D215-K219 PolarHBondContact O-N 3.2Å
216	T	90.4	Very high	91.1	Very high	100 Å²	100	47 Å²	47	61%	0.613	24%	0.238	S	C	*	.	H	α-helix	trans	-64	-31.1	175.5	48.4	0	0	0	0	113.3	L214	L214-T216 PolarHBondContact O-N 3.44Å
217	E	85.5	Confident	90.9	Very high	56 Å²	56	49 Å²	49	26%	0.262	25%	0.247	S	C	.	.	H	α-helix	trans	-80.1	-44.2	177.1	-60.7	170.3	144.8	0	0	109.9	V213 L214 D215 K219 K220 M265	V213-E217 HydrophobicContact CG1-CB 4.11Å; L214-E217 HydrophobicContact CB-CG 4.26Å; L214-E217 PolarHBondContact N-OE2 3.13Å; L214-E217 WeakPolarHBondContact O-CB 3.2Å; L214-E217 PolarHBondContact O-N 3.37Å; D215-E217 VanDerWaalsContact C-N 3.27Å; D215-E217 PolarHBondContact O-N 3.31Å; E217-K219 PolarHBondContact O-N 3.27Å; E217-K220 PolarHBondContact O-N 2.98Å; E217-M265 HydrophobicContact CB-CE 4.45Å
218	L	88.5	Confident	90.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-55.8	-39.5	176.6	-71.1	169.8	0	0	0	112.3	V209 V213 L214 D215 K220 S221 F222 I230 V266	V209-L218 HydrophobicContact CB-CD1 3.94Å; V209-L218 HydrophobicContact CB-CD2 4.34Å; V209-L218 HydrophobicContact CG1-CD1 3.89Å; V209-L218 HydrophobicContact CG1-CD2 4.21Å; V209-L218 HydrophobicContact CG2-CD1 3.65Å; V213-L218 HydrophobicContact CB-CD2 4.42Å; V213-L218 HydrophobicContact CG1-CD2 3.7Å; V213-L218 HydrophobicContact CG1-CG 3.72Å; L214-L218 WeakPolarHBondContact O-CG 3.43Å; L214-L218 PolarHBondContact O-N 3.2Å; D215-L218 PolarHBondContact O-N 3.33Å; L218-K220 PolarHBondContact O-N 3.36Å; L218-K220 VanDerWaalsContact O-N 3.1Å; L218-S221 WeakPolarHBondContact O-CB 3.42Å; L218-S221 PolarHBondContact O-N 3Å; L218-F222 HydrophobicContact CB-CE2 4.35Å; L218-F222 WeakPolarHBondContact O-CD2 3.34Å; L218-I230 HydrophobicContact CD2-CD1 4.09Å; L218-V266 HydrophobicContact CD2-CG2 3.62Å
219	K	90.5	Very high	90.6	Very high	113 Å²	113	49.1 Å²	49.1	49%	0.491	25%	0.25	S	C	.	.	H	α-helix	trans	-53.7	-33.9	-178	-79.8	179.6	-179.4	-172	0	113.4	V193 M199 D215 E217	V193-K219 HydrophobicContact CG2-CD 4.39Å; V193-K219 HydrophobicContact CG2-CG 3.65Å; M199-K219 VanDerWaalsContact CE-CA 3.44Å; M199-K219 HydrophobicContact CE-CB 3.69Å; M199-K219 HydrophobicContact CE-CG 3.6Å; M199-K219 VanDerWaalsContact CE-O 3.28Å; M199-K219 WeakPolarHBondContact CE-O 3.39Å; M199-K219 HydrophobicContact SD-CD 4.41Å; M199-K219 HydrophobicContact SD-CG 3.87Å; D215-K219 VanDerWaalsContact O-CG 3.29Å; D215-K219 WeakPolarHBondContact O-CG 3.38Å; D215-K219 PolarHBondContact O-N 3.2Å; E217-K219 PolarHBondContact O-N 3.27Å
220	K	85.1	Confident	90.6	Very high	114 Å²	114	49.1 Å²	49.1	50%	0.496	25%	0.25	S	C	.	.	H	α-helix	trans	-70.3	-34.2	178.5	-58	-175.4	179.1	-175.1	0	111.6	E217 L218 F222 H224	E217-K220 PolarHBondContact O-N 2.98Å; L218-K220 PolarHBondContact O-N 3.36Å; L218-K220 VanDerWaalsContact O-N 3.1Å; K220-F222 PolarHBondContact O-N 3.46Å; K220-H224 PolarHBondContact O-CD2 3.29Å; K220-H224 PolarHBondContact O-NE2 2.98Å
221	S	86.3	Confident	90.6	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.028	25%	0.25	C	S	.	.	H	α-helix	trans	-67.6	-32.8	-177	-55.9	0	0	0	0	113.9	L218 A223 H224 F225	L218-S221 WeakPolarHBondContact O-CB 3.42Å; L218-S221 PolarHBondContact O-N 3Å; S221-A223 VanDerWaalsContact C-N 3.32Å; S221-A223 PolarHBondContact O-N 3.02Å; S221-H224 PolarHBondContact O-CD2 3.31Å; S221-H224 PolarHBondContact O-N 3.15Å; S221-H224 VanDerWaalsContact O-N 3.16Å; S221-F225 WeakPolarHBondContact O-CD2 3.45Å
222	F	90.9	Very high	90.7	Very high	6 Å²	6	45 Å²	45	3%	0.026	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-56.3	-41.9	-174.4	-78.5	-101.7	0	0	0	113.5	V193 M199 L203 I207 L218 K220 H224 F225 G228 I230	V193-F222 HydrophobicContact CG1-CE2 3.98Å; V193-F222 HydrophobicContact CG1-CZ 3.82Å; M199-F222 HydrophobicContact CB-CD1 3.48Å; M199-F222 VanDerWaalsContact CB-CD1 3.48Å; M199-F222 HydrophobicContact CB-CD2 4.09Å; M199-F222 HydrophobicContact CB-CE1 3.55Å; M199-F222 HydrophobicContact CB-CE2 4.13Å; M199-F222 HydrophobicContact CB-CG 3.8Å; M199-F222 HydrophobicContact CB-CZ 3.88Å; M199-F222 HydrophobicContact CE-CB 3.93Å; M199-F222 HydrophobicContact CE-CD2 3.59Å; M199-F222 HydrophobicContact CE-CE2 4.25Å; M199-F222 HydrophobicContact CE-CG 3.81Å; M199-F222 HydrophobicContact CG-CE2 4.47Å; M199-F222 WeakPolarHBondContact O-CD1 3.26Å; L203-F222 HydrophobicContact CD1-CE1 4.18Å; I207-F222 HydrophobicContact CD1-CE1 4.47Å; I207-F222 HydrophobicContact CD1-CZ 3.71Å; L218-F222 HydrophobicContact CB-CE2 4.35Å; L218-F222 WeakPolarHBondContact O-CD2 3.34Å; K220-F222 PolarHBondContact O-N 3.46Å; F222-H224 PolarHBondContact O-N 3.09Å; F222-H224 VanDerWaalsContact O-N 3.07Å; F222-F225 PolarHBondContact O-N 3.33Å; F222-F225 VanDerWaalsContact O-N 3.15Å; F222-G228 WeakPolarHBondContact CD1-O 3.36Å; F222-G228 WeakPolarHBondContact CE1-O 3.49Å; F222-G228 WeakPolarHBondContact O-CA 2.98Å; F222-I230 VanDerWaalsContact CA-CG2 3.48Å; F222-I230 HydrophobicContact CB-CG2 4.2Å; F222-I230 HydrophobicContact CD1-CG2 3.96Å; F222-I230 HydrophobicContact CD2-CD1 4.33Å; F222-I230 HydrophobicContact CD2-CG2 3.97Å; F222-I230 HydrophobicContact CE1-CD1 4.35Å; F222-I230 HydrophobicContact CE1-CG1 4.19Å; F222-I230 HydrophobicContact CE1-CG2 4.3Å; F222-I230 HydrophobicContact CE2-CD1 3.68Å; F222-I230 HydrophobicContact CE2-CG1 4.34Å; F222-I230 HydrophobicContact CE2-CG2 4.32Å; F222-I230 HydrophobicContact CG-CG2 3.76Å; F222-I230 HydrophobicContact CZ-CD1 3.68Å; F222-I230 HydrophobicContact CZ-CG1 4.01Å; F222-I230 HydrophobicContact CZ-CG2 4.47Å
223	A	88.4	Confident	91	Very high	69 Å²	69	36.9 Å²	36.9	57%	0.57	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-62.4	-20.4	-176.2	0	0	0	0	0	113.8	S221 I253	S221-A223 VanDerWaalsContact C-N 3.32Å; S221-A223 PolarHBondContact O-N 3.02Å; A223-I253 VanDerWaalsContact O-CD1 3.25Å; A223-I253 WeakPolarHBondContact O-CD1 3.2Å
224	H	86.6	Confident	91.2	Very high	11 Å²	11	37 Å²	37	5%	0.051	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-88.2	-8.6	-178	-53.9	-85.7	0	0	0	114	K220 S221 F222 F249 Q250 D259	K220-H224 PolarHBondContact O-CD2 3.29Å; K220-H224 PolarHBondContact O-NE2 2.98Å; S221-H224 PolarHBondContact O-CD2 3.31Å; S221-H224 PolarHBondContact O-N 3.15Å; S221-H224 VanDerWaalsContact O-N 3.16Å; F222-H224 PolarHBondContact O-N 3.09Å; F222-H224 VanDerWaalsContact O-N 3.07Å; H224-F249 HydrophobicContact CB-CD2 4.24Å; H224-F249 HydrophobicContact CB-CE2 3.36Å; H224-F249 HydrophobicContact CB-CZ 3.66Å; H224-Q250 PolarHBondContact O-N 2.99Å; H224-D259 IonicContact CE1-OD2 3.9Å; H224-D259 IonicContact NE2-OD1 3.49Å; H224-D259 IonicContact NE2-OD2 2.7Å
225	F	91.2	Very high	91.5	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.031	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-109.9	138.4	-178.1	-75.5	-90.4	0	0	0	109.9	S221 F222 E227 G228 I230 P231 M246 S247 F249 L263	S221-F225 WeakPolarHBondContact O-CD2 3.45Å; F222-F225 PolarHBondContact O-N 3.33Å; F222-F225 VanDerWaalsContact O-N 3.15Å; F225-E227 PolarHBondContact O-N 2.89Å; F225-G228 WeakPolarHBondContact O-CA 3.46Å; F225-G228 PolarHBondContact O-N 3.26Å; F225-I230 HydrophobicContact CD2-CB 4.3Å; F225-I230 HydrophobicContact CD2-CG2 3.86Å; F225-I230 HydrophobicContact CE2-CG2 4.42Å; F225-I230 HydrophobicContact CG-CG2 4.37Å; F225-P231 HydrophobicContact CE1-CG 3.99Å; F225-P231 HydrophobicContact CE2-CG 4.41Å; F225-P231 HydrophobicContact CZ-CG 3.65Å; F225-M246 HydrophobicContact CD1-CB 4.37Å; F225-M246 HydrophobicContact CE1-CB 4.07Å; F225-M246 HydrophobicContact CE1-CG 4.35Å; F225-M246 HydrophobicContact CE1-SD 3.9Å; F225-S247 WeakPolarHBondContact CB-OG 3.45Å; F225-F249 HydrophobicContact CD1-CD2 4.26Å; F225-F249 HydrophobicContact CD2-CD2 4.18Å; F225-F249 HydrophobicContact CD2-CE2 4.42Å; F225-F249 HydrophobicContact CE1-CB 4.21Å; F225-F249 AromaticContact CE1-CD2 3.77Å; F225-F249 HydrophobicContact CE1-CD2 3.77Å; F225-F249 HydrophobicContact CE1-CG 4.49Å; F225-F249 AromaticContact CE2-CD2 3.7Å; F225-F249 HydrophobicContact CE2-CD2 3.7Å; F225-F249 AromaticContact CE2-CE2 3.93Å; F225-F249 HydrophobicContact CE2-CE2 3.93Å; F225-F249 HydrophobicContact CG-CD2 4.45Å; F225-F249 AromaticContact CZ-CD2 3.47Å; F225-F249 HydrophobicContact CZ-CD2 3.47Å; F225-F249 VanDerWaalsContact CZ-CD2 3.47Å; F225-F249 HydrophobicContact CZ-CE2 4.12Å; F225-L263 HydrophobicContact CE2-CD1 3.78Å; F225-L263 HydrophobicContact CZ-CD1 3.47Å; F225-L263 VanDerWaalsContact CZ-CD1 3.47Å
226	N	92.5	Very high	91.6	Very high	38 Å²	38	31.6 Å²	31.6	20%	0.203	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-54.6	134.1	175.2	-171.2	43.3	0	0	0	111.5	G228 R229 S247 S248 V355 E356	N226-G228 PolarHBondContact O-N 2.98Å; N226-R229 PolarHBondContact O-N 3Å; N226-R229 VanDerWaalsContact O-N 3.1Å; N226-S247 PolarHBondContact N-OG 3.4Å; N226-S247 VanDerWaalsContact N-OG 3.13Å; N226-S247 WeakPolarHBondContact O-CB 3.39Å; N226-S247 PolarHBondContact O-OG 2.97Å; N226-S248 PolarHBondContact N-O 3.03Å; N226-S248 VanDerWaalsContact N-O 3.14Å; N226-V355 VanDerWaalsContact CB-O 3.3Å; N226-V355 WeakPolarHBondContact CB-O 3.39Å; N226-V355 PolarHBondContact ND2-O 3.13Å; N226-E356 WeakPolarHBondContact ND2-CG 3.42Å
227	E	92.9	Very high	91.8	Very high	78 Å²	78	27.2 Å²	27.2	36%	0.364	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	51.9	17.6	-170.2	-56.1	-161.5	149.6	0	0	116.1	S200 S202 F225 R229 R358	S200-E227 WeakPolarHBondContact CB-O 3.18Å; S200-E227 PolarHBondContact OG-O 3.09Å; S202-E227 WeakPolarHBondContact CB-OE2 3.33Å; S202-E227 PolarHBondContact OG-OE2 2.81Å; F225-E227 PolarHBondContact O-N 2.89Å; E227-R229 VanDerWaalsContact C-N 3.31Å; E227-R229 HydrophobicContact CB-CG 4.03Å; E227-R229 PolarHBondContact O-N 3.4Å; E227-R358 IonicContact OE1-NH1 3.94Å; E227-R358 WeakPolarHBondContact OE2-CD 3.27Å; E227-R358 IonicContact OE2-CZ 3.04Å; E227-R358 IonicContact OE2-NE 3.28Å; E227-R358 IonicContact OE2-NH1 2.82Å; E227-R358 PolarHBondContact OE2-NH1 2.55Å
228	G	93.4	Very high	92	Very high	8 Å²	8	29.6 Å²	29.6	8%	0.082	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	71.3	22.3	-175.7	0	0	0	0	0	114.1	F222 F225 N226 I230	F222-G228 WeakPolarHBondContact CD1-O 3.36Å; F222-G228 WeakPolarHBondContact CE1-O 3.49Å; F222-G228 WeakPolarHBondContact O-CA 2.98Å; F225-G228 WeakPolarHBondContact O-CA 3.46Å; F225-G228 PolarHBondContact O-N 3.26Å; N226-G228 PolarHBondContact O-N 2.98Å; G228-I230 PolarHBondContact O-N 2.65Å; G228-I230 VanDerWaalsContact O-N 3.09Å
229	R	95.1	Very high	92	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.			trans	-91.7	73.4	-172.6	-60.7	178.2	68.4	86.9	-6.4	111.8	S202 L203 N226 E227 S247 E356 D357 A393	S202-R229 PolarHBondContact O-NH1 3.07Å; S202-R229 VanDerWaalsContact O-NH1 3.14Å; S202-R229 WeakPolarHBondContact OG-CD 3.36Å; S202-R229 PolarHBondContact OG-NH1 2.96Å; L203-R229 HydrophobicContact CD1-CG 4.42Å; L203-R229 HydrophobicContact CD2-CG 4.3Å; L203-R229 HydrophobicContact CG-CG 4.06Å; N226-R229 PolarHBondContact O-N 3Å; N226-R229 VanDerWaalsContact O-N 3.1Å; E227-R229 VanDerWaalsContact C-N 3.31Å; E227-R229 HydrophobicContact CB-CG 4.03Å; E227-R229 PolarHBondContact O-N 3.4Å; R229-S247 PolarHBondContact O-N 3.48Å; R229-S247 PolarHBondContact O-OG 3.08Å; R229-E356 WeakPolarHBondContact CD-O 3.46Å; R229-E356 PolarHBondContact NE-O 3.33Å; R229-D357 IonicContact CZ-OD2 3.5Å; R229-D357 IonicContact NE-OD2 2.78Å; R229-D357 PolarHBondContact NE-OD2 3.33Å; R229-D357 PolarHBondContact NH2-O 3.18Å; R229-D357 IonicContact NH2-OD2 3.25Å; R229-D357 PolarHBondContact NH2-OD2 3.03Å; R229-D357 VanDerWaalsContact NH2-OD2 3.12Å; R229-A393 PolarHBondContact NH1-O 2.86Å; R229-A393 VanDerWaalsContact NH1-O 3.12Å; R229-A393 PolarHBondContact NH2-O 2.81Å
230	I	93.9	Very high	92	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.167	C	C	.	.			trans	-58.2	163.2	179.1	67.4	164.5	0	0	0	112.5	I207 V209 L218 F222 F225 G228 R232	I207-I230 HydrophobicContact CD1-CD1 3.91Å; I207-I230 HydrophobicContact CD1-CG1 4.31Å; V209-I230 HydrophobicContact CG1-CD1 4.46Å; L218-I230 HydrophobicContact CD2-CD1 4.09Å; F222-I230 VanDerWaalsContact CA-CG2 3.48Å; F222-I230 HydrophobicContact CB-CG2 4.2Å; F222-I230 HydrophobicContact CD1-CG2 3.96Å; F222-I230 HydrophobicContact CD2-CD1 4.33Å; F222-I230 HydrophobicContact CD2-CG2 3.97Å; F222-I230 HydrophobicContact CE1-CD1 4.35Å; F222-I230 HydrophobicContact CE1-CG1 4.19Å; F222-I230 HydrophobicContact CE1-CG2 4.3Å; F222-I230 HydrophobicContact CE2-CD1 3.68Å; F222-I230 HydrophobicContact CE2-CG1 4.34Å; F222-I230 HydrophobicContact CE2-CG2 4.32Å; F222-I230 HydrophobicContact CG-CG2 3.76Å; F222-I230 HydrophobicContact CZ-CD1 3.68Å; F222-I230 HydrophobicContact CZ-CG1 4.01Å; F222-I230 HydrophobicContact CZ-CG2 4.47Å; F225-I230 HydrophobicContact CD2-CB 4.3Å; F225-I230 HydrophobicContact CD2-CG2 3.86Å; F225-I230 HydrophobicContact CE2-CG2 4.42Å; F225-I230 HydrophobicContact CG-CG2 4.37Å; G228-I230 PolarHBondContact O-N 2.65Å; G228-I230 VanDerWaalsContact O-N 3.09Å; I230-R232 WeakPolarHBondContact O-CD 3.45Å; I230-R232 PolarHBondContact O-N 3.25Å
231	P	94.4	Very high	92.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.143	C	C	.	.			trans	-60.6	123.1	171.6	-12.2	25.4	0	0	0	109.9	F225 L244 R245 M246 V266 L267	F225-P231 HydrophobicContact CE1-CG 3.99Å; F225-P231 HydrophobicContact CE2-CG 4.41Å; F225-P231 HydrophobicContact CZ-CG 3.65Å; P231-L244 HydrophobicContact CB-CD1 4.34Å; P231-R245 WeakPolarHBondContact CA-O 3.16Å; P231-M246 HydrophobicContact CB-CB 4.08Å; P231-M246 HydrophobicContact CB-SD 4.17Å; P231-M246 HydrophobicContact CG-CB 4.01Å; P231-M246 HydrophobicContact CG-SD 3.7Å; P231-V266 HydrophobicContact CB-CG1 3.92Å; P231-V266 HydrophobicContact CG-CG1 3.9Å; P231-V266 WeakPolarHBondContact O-CG1 3.49Å; P231-L267 HydrophobicContact CB-CD2 3.65Å; P231-L267 HydrophobicContact CG-CD2 3.56Å; P231-L267 HydrophobicContact CG-CG 4.14Å
232	R	94.8	Very high	92.7	Very high	16 Å²	16	26.2 Å²	26.2	6%	0.06	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.6	175.8	67.4	-86.2	-164.2	-113.9	-3.9	110.7	V208 I230 L244 R245 D357	V208-R232 WeakPolarHBondContact O-CA 3.45Å; V208-R232 WeakPolarHBondContact O-CB 3.47Å; I230-R232 WeakPolarHBondContact O-CD 3.45Å; I230-R232 PolarHBondContact O-N 3.25Å; R232-L244 WeakPolarHBondContact O-CA 3.15Å; R232-L244 WeakPolarHBondContact O-CB 3.46Å; R232-R245 WeakPolarHBondContact CD-O 3.25Å; R232-R245 PolarHBondContact N-O 3.49Å; R232-R245 VanDerWaalsContact N-O 3.08Å; R232-R245 PolarHBondContact NH1-O 2.99Å; R232-R245 PolarHBondContact O-N 3.34Å; R232-D357 IonicContact CZ-OD1 2.88Å; R232-D357 IonicContact CZ-OD2 3.54Å; R232-D357 IonicContact NH1-OD1 3.6Å; R232-D357 PolarHBondContact NH1-OD1 2.88Å; R232-D357 IonicContact NH1-OD2 2.94Å; R232-D357 PolarHBondContact NH1-OD2 2.85Å; R232-D357 IonicContact NH2-OD1 3.61Å; R232-D357 IonicContact NH2-OD2 2.68Å; R232-D357 PolarHBondContact NH2-OD2 2.93Å
233	W	96.1	Very high	92.9	Very high	4 Å²	4	26 Å²	26	2%	0.015	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	140.5	178.2	177.3	92.9	0	0	0	112	E179 L180 C183 A185 W188 V208 W235 R236 D242 L244	E179-W233 HydrophobicContact CG-CH2 4.16Å; E179-W233 HydrophobicContact CG-CZ3 4.33Å; L180-W233 HydrophobicContact CD2-CD2 4.09Å; L180-W233 HydrophobicContact CD2-CE3 3.9Å; L180-W233 HydrophobicContact CD2-CH2 3.85Å; L180-W233 HydrophobicContact CD2-CZ2 4.04Å; L180-W233 HydrophobicContact CD2-CZ3 3.78Å; L180-W233 HydrophobicContact CG-CZ3 4.38Å; C183-W233 HydrophobicContact CB-CH2 4.19Å; C183-W233 HydrophobicContact CB-CZ2 3.92Å; A185-W233 HydrophobicContact CB-CZ2 3.68Å; W188-W233 AromaticContact CD1-CD1 3.72Å; W188-W233 AromaticContact CD1-NE1 3.93Å; W188-W233 HydrophobicContact CD2-CB 3.68Å; W188-W233 AromaticContact CD2-CD1 3.62Å; W188-W233 AromaticContact CD2-CG 3.81Å; W188-W233 HydrophobicContact CD2-CG 3.81Å; W188-W233 AromaticContact CE2-CD1 3.42Å; W188-W233 VanDerWaalsContact CE2-CD1 3.42Å; W188-W233 HydrophobicContact CE3-CB 3.42Å; W188-W233 VanDerWaalsContact CE3-CB 3.42Å; W188-W233 HydrophobicContact CE3-CG 4.09Å; W188-W233 HydrophobicContact CG-CB 4.32Å; W188-W233 AromaticContact CG-CD1 3.83Å; W188-W233 HydrophobicContact CG-CG 4.05Å; W188-W233 HydrophobicContact CH2-CB 4.19Å; W188-W233 HydrophobicContact CZ2-CB 4.37Å; W188-W233 AromaticContact CZ2-CD1 3.97Å; W188-W233 HydrophobicContact CZ3-CB 3.69Å; W188-W233 AromaticContact NE1-CD1 3.46Å; W188-W233 AromaticContact NE1-NE1 3.91Å; V208-W233 HydrophobicContact CB-CB 3.95Å; V208-W233 HydrophobicContact CB-CE3 3.98Å; V208-W233 HydrophobicContact CG1-CB 3.61Å; V208-W233 HydrophobicContact CG1-CD2 4Å; V208-W233 HydrophobicContact CG1-CE3 3.75Å; V208-W233 HydrophobicContact CG1-CG 4Å; V208-W233 HydrophobicContact CG2-CE3 4.07Å; V208-W233 PolarHBondContact O-N 2.86Å; W233-W235 VanDerWaalsContact CZ2-CA 3.48Å; W233-W235 VanDerWaalsContact NE1-C 3.33Å; W233-W235 PolarHBondContact NE1-O 3.11Å; W233-R236 HydrophobicContact CZ2-CB 4.15Å; W233-D242 PolarHBondContact NE1-OD1 2.86Å; W233-L244 HydrophobicContact CB-CD2 4.07Å
234	C	94.8	Very high	93.3	Very high	6 Å²	6	22.7 Å²	22.7	4%	0.041	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	-47.8	177.7	-57.5	0	0	0	0	110.6	L243 R245 K388 E389	C234-L243 HydrophobicContact CB-CG 4.47Å; C234-L243 WeakPolarHBondContact CB-O 3.45Å; C234-L243 PolarHBondContact N-O 2.73Å; C234-R245 WeakPolarHBondContact SG-CD 3.22Å; C234-R245 WeakPolarHBondContact SG-CG 3.07Å; C234-K388 PolarHBondContact O-NZ 3.37Å; C234-E389 WeakPolarHBondContact CB-OE1 3.43Å
235	W	97.1	Very high	93.8	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	154	-174.7	-178.7	77.4	0	0	0	111.6	W233 H237 L243 L343 Q369 C372 D373 Y376	W233-W235 VanDerWaalsContact CZ2-CA 3.48Å; W233-W235 VanDerWaalsContact NE1-C 3.33Å; W233-W235 PolarHBondContact NE1-O 3.11Å; W235-H237 HydrophobicContact CE3-CB 4.32Å; W235-H237 HydrophobicContact CH2-CB 3.74Å; W235-H237 AromaticContact CH2-CD2 3.44Å; W235-H237 VanDerWaalsContact CH2-CD2 3.44Å; W235-H237 WeakPolarHBondContact CH2-CD2 3.48Å; W235-H237 AromaticContact CH2-CG 3.8Å; W235-H237 HydrophobicContact CZ3-CB 3.5Å; W235-H237 AromaticContact CZ3-CD2 3.61Å; W235-H237 AromaticContact CZ3-CG 3.9Å; W235-L243 PolarHBondContact N-O 3.41Å; W235-L243 PolarHBondContact O-N 3.47Å; W235-L343 HydrophobicContact CE3-CD1 4.49Å; W235-L343 HydrophobicContact CZ3-CD1 4.22Å; W235-Q369 HydrophobicContact CB-CG 3.74Å; W235-Q369 HydrophobicContact CD2-CG 4.01Å; W235-Q369 HydrophobicContact CE3-CG 4.47Å; W235-Q369 HydrophobicContact CG-CG 3.68Å; W235-C372 HydrophobicContact CH2-CB 3.37Å; W235-C372 HydrophobicContact CZ2-CB 4.12Å; W235-C372 HydrophobicContact CZ3-CB 4Å; W235-D373 HydrophobicContact CZ2-CB 3.81Å; W235-D373 PolarHBondContact NE1-OD2 3.47Å; W235-Y376 AromaticContact CD1-CE2 3.85Å; W235-Y376 AromaticContact NE1-CE2 3.98Å
236	R	94.8	Very high	93.9	Very high	32 Å²	32	22.1 Å²	22.1	12%	0.121	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.2	173.3	-176.9	173.3	-169.2	84.8	-0.9	110.1	C183 A185 W233 G240 S241 D242	C183-R236 HydrophobicContact CB-CB 4.16Å; A185-R236 HydrophobicContact CB-CB 4.05Å; W233-R236 HydrophobicContact CZ2-CB 4.15Å; R236-G240 VanDerWaalsContact CZ-O 3.25Å; R236-G240 PolarHBondContact NH1-O 2.59Å; R236-G240 PolarHBondContact NH2-O 3.35Å; R236-S241 CarbonylContact C-O 3.59Å; R236-S241 WeakPolarHBondContact CA-O 3.21Å; R236-D242 WeakPolarHBondContact CG-OD1 3.35Å; R236-D242 IonicContact CZ-OD1 3.76Å; R236-D242 IonicContact CZ-OD2 3.95Å; R236-D242 IonicContact NH1-OD1 2.79Å; R236-D242 PolarHBondContact NH1-OD1 2.82Å; R236-D242 IonicContact NH1-OD2 3.26Å; R236-D242 PolarHBondContact NH1-OD2 3.22Å
237	H	94.1	Very high	94.1	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.037	10%	0.102	C	C	.	.			trans	-67.7	142	174.3	-168.5	-84	0	0	0	110.6	W235 R239 G240 S241 L343	W235-H237 HydrophobicContact CE3-CB 4.32Å; W235-H237 HydrophobicContact CH2-CB 3.74Å; W235-H237 AromaticContact CH2-CD2 3.44Å; W235-H237 VanDerWaalsContact CH2-CD2 3.44Å; W235-H237 WeakPolarHBondContact CH2-CD2 3.48Å; W235-H237 AromaticContact CH2-CG 3.8Å; W235-H237 HydrophobicContact CZ3-CB 3.5Å; W235-H237 AromaticContact CZ3-CD2 3.61Å; W235-H237 AromaticContact CZ3-CG 3.9Å; H237-R239 WeakPolarHBondContact ND1-CB 3.39Å; H237-R239 PolarHBondContact ND1-N 3.18Å; H237-R239 VanDerWaalsContact ND1-N 3.12Å; H237-R239 PolarHBondContact O-N 3.36Å; H237-G240 PolarHBondContact O-N 3.09Å; H237-S241 PolarHBondContact N-O 3.26Å; H237-L343 HydrophobicContact CB-CB 4.21Å
238	P	90.7	Very high	93.9	Very high	105 Å²	105	18.2 Å²	18.2	68%	0.682	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-17.2	177.8	-28.8	35	0	0	0	115.2	G240	P238-G240 VanDerWaalsContact C-N 3.34Å
239	R	89.5	Confident	93.5	Very high	149 Å²	149	19.7 Å²	19.7	56%	0.562	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	8.8	174.1	-59.7	-173.2	74.1	-178.6	12.3	114	H237 R344	H237-R239 WeakPolarHBondContact ND1-CB 3.39Å; H237-R239 PolarHBondContact ND1-N 3.18Å; H237-R239 VanDerWaalsContact ND1-N 3.12Å; H237-R239 PolarHBondContact O-N 3.36Å; R239-R344 VanDerWaalsContact CD-O 3.27Å; R239-R344 WeakPolarHBondContact CD-O 3.5Å; R239-R344 VanDerWaalsContact CZ-O 3.28Å; R239-R344 PolarHBondContact NE-O 3.36Å; R239-R344 PolarHBondContact NH1-O 3.19Å
240	G	88.9	Confident	92.7	Very high	12 Å²	12	23.7 Å²	23.7	12%	0.124	12%	0.118	C	C	.	.	S	Bend	trans	89.8	4.5	172.1	0	0	0	0	0	116.7	R236 H237 P238	R236-G240 VanDerWaalsContact CZ-O 3.25Å; R236-G240 PolarHBondContact NH1-O 2.59Å; R236-G240 PolarHBondContact NH2-O 3.35Å; H237-G240 PolarHBondContact O-N 3.09Å; P238-G240 VanDerWaalsContact C-N 3.34Å
241	S	91.9	Very high	91.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.			trans	-83.5	146.4	174.1	-59.8	0	0	0	0	111.3	R236 H237 L343 G346 H347 L348	R236-S241 CarbonylContact C-O 3.59Å; R236-S241 WeakPolarHBondContact CA-O 3.21Å; H237-S241 PolarHBondContact N-O 3.26Å; S241-L343 WeakPolarHBondContact CB-O 3.07Å; S241-L343 PolarHBondContact OG-O 3.01Å; S241-G346 VanDerWaalsContact OG-C 3.25Å; S241-G346 WeakPolarHBondContact OG-CA 3.45Å; S241-G346 PolarHBondContact OG-N 3.34Å; S241-H347 PolarHBondContact OG-N 2.77Å; S241-L348 CarbonylContact C-O 3.57Å; S241-L348 WeakPolarHBondContact CA-O 3.16Å; S241-L348 WeakPolarHBondContact CB-O 3.44Å; S241-L348 PolarHBondContact OG-N 3.47Å
242	D	93.6	Very high	89.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.5	-179.8	-67.5	-56.2	0	0	0	111.3	W188 W233 R236 L244 L343 L348 T349 V350	W188-D242 HydrophobicContact CZ2-CB 3.97Å; W188-D242 PolarHBondContact NE1-OD1 3.31Å; W188-D242 VanDerWaalsContact NE1-OD1 3.11Å; W188-D242 PolarHBondContact NE1-OD2 3.45Å; W188-D242 VanDerWaalsContact NE1-OD2 3.08Å; W233-D242 PolarHBondContact NE1-OD1 2.86Å; R236-D242 WeakPolarHBondContact CG-OD1 3.35Å; R236-D242 IonicContact CZ-OD1 3.76Å; R236-D242 IonicContact CZ-OD2 3.95Å; R236-D242 IonicContact NH1-OD1 2.79Å; R236-D242 PolarHBondContact NH1-OD1 2.82Å; R236-D242 IonicContact NH1-OD2 3.26Å; R236-D242 PolarHBondContact NH1-OD2 3.22Å; D242-L244 HydrophobicContact CB-CD2 4.43Å; D242-L343 WeakPolarHBondContact O-CD2 3.16Å; D242-L348 PolarHBondContact N-O 3.44Å; D242-T349 HydrophobicContact CB-CG2 4.47Å; D242-T349 CarbonylContact O-C 3.27Å; D242-T349 WeakPolarHBondContact O-CA 3.44Å; D242-V350 PolarHBondContact O-N 3.11Å
243	L	96.1	Very high	87.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.8	170.7	-179	64.3	0	0	0	109	C234 W235 V339 L343 V350 L352 V368	C234-L243 HydrophobicContact CB-CG 4.47Å; C234-L243 WeakPolarHBondContact CB-O 3.45Å; C234-L243 PolarHBondContact N-O 2.73Å; W235-L243 PolarHBondContact N-O 3.41Å; W235-L243 PolarHBondContact O-N 3.47Å; L243-V339 HydrophobicContact CD1-CG1 4.01Å; L243-L343 HydrophobicContact CB-CD1 4.16Å; L243-L343 HydrophobicContact CB-CD2 4.31Å; L243-L343 HydrophobicContact CD1-CD1 4.35Å; L243-V350 CarbonylContact C-O 3.53Å; L243-V350 WeakPolarHBondContact CA-O 2.87Å; L243-V350 HydrophobicContact CD1-CB 4.39Å; L243-V350 HydrophobicContact CD1-CG1 4.45Å; L243-L352 HydrophobicContact CD1-CD1 4.1Å; L243-L352 HydrophobicContact CD1-CD2 4.3Å; L243-L352 HydrophobicContact CD1-CG 3.88Å; L243-V368 HydrophobicContact CD2-CB 4.27Å; L243-V368 HydrophobicContact CD2-CG1 4Å
244	L	96.5	Very high	85.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	160.9	173.4	-43.9	-174.4	0	0	0	110.3	W188 P231 R232 W233 D242 L267 T349 V350 A351 L352	W188-L244 HydrophobicContact CH2-CD1 3.96Å; W188-L244 HydrophobicContact CH2-CD2 3.19Å; W188-L244 HydrophobicContact CH2-CG 4.21Å; W188-L244 HydrophobicContact CZ2-CD2 3.5Å; W188-L244 HydrophobicContact CZ3-CD2 3.97Å; P231-L244 HydrophobicContact CB-CD1 4.34Å; R232-L244 WeakPolarHBondContact O-CA 3.15Å; R232-L244 WeakPolarHBondContact O-CB 3.46Å; W233-L244 HydrophobicContact CB-CD2 4.07Å; D242-L244 HydrophobicContact CB-CD2 4.43Å; L244-L267 HydrophobicContact CD1-CD2 4.43Å; L244-T349 HydrophobicContact CD1-CG2 3.44Å; L244-T349 VanDerWaalsContact CD1-CG2 3.44Å; L244-T349 HydrophobicContact CD2-CG2 4.29Å; L244-T349 HydrophobicContact CG-CG2 3.56Å; L244-V350 PolarHBondContact N-O 2.92Å; L244-A351 HydrophobicContact CB-CB 4.13Å; L244-L352 PolarHBondContact O-N 3.43Å
245	R	96.5	Very high	83.6	Confident	1 Å²	1	49.1 Å²	49.1	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.3	166.4	-73.1	170.2	59.3	170.9	3.4	109.1	P231 R232 C234 L352 D357 C362 E389	P231-R245 WeakPolarHBondContact CA-O 3.16Å; R232-R245 WeakPolarHBondContact CD-O 3.25Å; R232-R245 PolarHBondContact N-O 3.49Å; R232-R245 VanDerWaalsContact N-O 3.08Å; R232-R245 PolarHBondContact NH1-O 2.99Å; R232-R245 PolarHBondContact O-N 3.34Å; C234-R245 WeakPolarHBondContact SG-CD 3.22Å; C234-R245 WeakPolarHBondContact SG-CG 3.07Å; R245-L352 CarbonylContact C-O 3.51Å; R245-L352 WeakPolarHBondContact CA-O 3.1Å; R245-L352 HydrophobicContact CG-CB 4.23Å; R245-L352 HydrophobicContact CG-CD1 4.23Å; R245-D357 WeakPolarHBondContact CB-OD1 3.43Å; R245-D357 IonicContact CZ-OD1 3.49Å; R245-D357 IonicContact NE-OD1 2.72Å; R245-D357 PolarHBondContact NE-OD1 3.19Å; R245-D357 PolarHBondContact NH2-O 3.39Å; R245-D357 IonicContact NH2-OD1 3.48Å; R245-D357 PolarHBondContact NH2-OD1 3.15Å; R245-C362 PolarHBondContact NH2-SG 3.39Å; R245-E389 WeakPolarHBondContact CD-OE2 3.47Å; R245-E389 IonicContact CZ-OE2 2.73Å; R245-E389 PolarHBondContact NH1-O 3.34Å; R245-E389 IonicContact NH1-OE2 2.75Å; R245-E389 PolarHBondContact NH1-OE2 3.31Å
246	M	95.1	Very high	82	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.03	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	157	174	62.6	-172.8	176.4	0	0	111.1	F225 P231 L267 V277 A351 L352 Q353 E354 D357	F225-M246 HydrophobicContact CD1-CB 4.37Å; F225-M246 HydrophobicContact CE1-CB 4.07Å; F225-M246 HydrophobicContact CE1-CG 4.35Å; F225-M246 HydrophobicContact CE1-SD 3.9Å; P231-M246 HydrophobicContact CB-CB 4.08Å; P231-M246 HydrophobicContact CB-SD 4.17Å; P231-M246 HydrophobicContact CG-CB 4.01Å; P231-M246 HydrophobicContact CG-SD 3.7Å; M246-L267 HydrophobicContact SD-CD2 4.14Å; M246-V277 HydrophobicContact CE-CB 4.23Å; M246-V277 HydrophobicContact CE-CG1 3.51Å; M246-V277 HydrophobicContact CE-CG2 3.67Å; M246-A351 HydrophobicContact CE-CB 3.95Å; M246-A351 HydrophobicContact SD-CB 4.37Å; M246-L352 PolarHBondContact N-O 2.97Å; M246-Q353 HydrophobicContact CE-CB 3.96Å; M246-Q353 HydrophobicContact CE-CG 4.27Å; M246-Q353 HydrophobicContact CG-CB 4.19Å; M246-Q353 HydrophobicContact CG-CG 4.3Å; M246-Q353 WeakPolarHBondContact O-CA 3.26Å; M246-E354 PolarHBondContact O-N 3.28Å; M246-D357 VanDerWaalsContact O-CB 3.25Å; M246-D357 WeakPolarHBondContact O-CB 3.37Å
247	S	95	Very high	80.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	177.3	167.6	64.7	0	0	0	0	112.1	F225 N226 R229 Q353 E354 V355	F225-S247 WeakPolarHBondContact CB-OG 3.45Å; N226-S247 PolarHBondContact N-OG 3.4Å; N226-S247 VanDerWaalsContact N-OG 3.13Å; N226-S247 WeakPolarHBondContact O-CB 3.39Å; N226-S247 PolarHBondContact O-OG 2.97Å; R229-S247 PolarHBondContact O-N 3.48Å; R229-S247 PolarHBondContact O-OG 3.08Å; S247-Q353 PolarHBondContact O-NE2 3.39Å; S247-E354 CarbonylContact C-O 3.55Å; S247-E354 WeakPolarHBondContact CA-O 3.45Å; S247-V355 WeakPolarHBondContact CB-O 3.47Å
248	S	90.6	Very high	79.6	Confident	33 Å²	33	66.4 Å²	66.4	23%	0.231	33%	0.327	C	S	.	.			trans	-59.3	144.4	170.1	61.7	0	0	0	0	111.1	N226 E354 V355	N226-S248 PolarHBondContact N-O 3.03Å; N226-S248 VanDerWaalsContact N-O 3.14Å; S248-E354 PolarHBondContact N-O 3.32Å; S248-V355 PolarHBondContact N-O 3.24Å; S248-V355 PolarHBondContact OG-O 3.08Å
249	F	85.1	Confident	78.7	Confident	40 Å²	40	62.6 Å²	62.6	18%	0.175	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-95	129.5	-179.6	-176.9	-87.3	0	0	0	110	H224 F225 N251 Y254 L263	H224-F249 HydrophobicContact CB-CD2 4.24Å; H224-F249 HydrophobicContact CB-CE2 3.36Å; H224-F249 HydrophobicContact CB-CZ 3.66Å; F225-F249 HydrophobicContact CD1-CD2 4.26Å; F225-F249 HydrophobicContact CD2-CD2 4.18Å; F225-F249 HydrophobicContact CD2-CE2 4.42Å; F225-F249 HydrophobicContact CE1-CB 4.21Å; F225-F249 AromaticContact CE1-CD2 3.77Å; F225-F249 HydrophobicContact CE1-CD2 3.77Å; F225-F249 HydrophobicContact CE1-CG 4.49Å; F225-F249 AromaticContact CE2-CD2 3.7Å; F225-F249 HydrophobicContact CE2-CD2 3.7Å; F225-F249 AromaticContact CE2-CE2 3.93Å; F225-F249 HydrophobicContact CE2-CE2 3.93Å; F225-F249 HydrophobicContact CG-CD2 4.45Å; F225-F249 AromaticContact CZ-CD2 3.47Å; F225-F249 HydrophobicContact CZ-CD2 3.47Å; F225-F249 VanDerWaalsContact CZ-CD2 3.47Å; F225-F249 HydrophobicContact CZ-CE2 4.12Å; F249-N251 WeakPolarHBondContact CD1-OD1 3.42Å; F249-N251 WeakPolarHBondContact CE1-OD1 3.46Å; F249-Y254 HydrophobicContact CD1-CE2 4.28Å; F249-Y254 AromaticContact CE1-CD2 3.99Å; F249-Y254 HydrophobicContact CE1-CD2 3.99Å; F249-Y254 AromaticContact CE1-CE2 3.09Å; F249-Y254 HydrophobicContact CE1-CE2 3.09Å; F249-Y254 AromaticContact CE1-CZ 3.45Å; F249-Y254 VanDerWaalsContact CE1-CZ 3.45Å; F249-Y254 WeakPolarHBondContact CE1-OH 3.37Å; F249-Y254 HydrophobicContact CE2-CE2 4.5Å; F249-Y254 WeakPolarHBondContact CE2-OH 3.25Å; F249-Y254 HydrophobicContact CZ-CD2 4.19Å; F249-Y254 AromaticContact CZ-CE1 3.91Å; F249-Y254 HydrophobicContact CZ-CE1 3.91Å; F249-Y254 AromaticContact CZ-CE2 3.25Å; F249-Y254 HydrophobicContact CZ-CE2 3.25Å; F249-Y254 AromaticContact CZ-CZ 3.06Å; F249-Y254 WeakPolarHBondContact CZ-OH 3.42Å; F249-L263 HydrophobicContact CD2-CD1 4.49Å; F249-L263 HydrophobicContact CD2-CD2 4.18Å; F249-L263 HydrophobicContact CE2-CD1 4.44Å; F249-L263 HydrophobicContact CE2-CD2 3.93Å; F249-L263 HydrophobicContact CZ-CD2 4.37Å
250	Q	76.3	Confident	78	Confident	84 Å²	84	59.3 Å²	59.3	39%	0.393	29%	0.294	S	S	.	.			trans	-96.7	97.9	-179.1	-63.1	-176.9	3.2	0	0	110.8	H224 N252 I253	H224-Q250 PolarHBondContact O-N 2.99Å; Q250-N252 PolarHBondContact O-N 3.3Å; Q250-N252 VanDerWaalsContact O-N 3.13Å; Q250-I253 HydrophobicContact CB-CD1 4.34Å
251	N	62.7	Low	77.5	Confident	113 Å²	113	66.3 Å²	66.3	60%	0.604	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-61.1	-18.7	-179.7	-78	-26.3	0	0	0	115.3	F249 I253 Y254	F249-N251 WeakPolarHBondContact CD1-OD1 3.42Å; F249-N251 WeakPolarHBondContact CE1-OD1 3.46Å; N251-I253 PolarHBondContact O-N 2.86Å; N251-Y254 WeakPolarHBondContact O-CD2 3.27Å
252	N	54.8	Low	76.8	Confident	153 Å²	153	67 Å²	67	82%	0.818	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-79.3	0.7	-171.4	-63.1	-13.4	0	0	0	114.3	Q250	Q250-N252 PolarHBondContact O-N 3.3Å; Q250-N252 VanDerWaalsContact O-N 3.13Å
253	I	56.2	Low	76.1	Confident	65 Å²	65	68.4 Å²	68.4	33%	0.333	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-101.3	-6.8	-178.4	-56.4	173.7	0	0	0	111.4	A223 Q250 N251 H255	A223-I253 VanDerWaalsContact O-CD1 3.25Å; A223-I253 WeakPolarHBondContact O-CD1 3.2Å; Q250-I253 HydrophobicContact CB-CD1 4.34Å; N251-I253 PolarHBondContact O-N 2.86Å; I253-H255 PolarHBondContact O-N 3.41Å; I253-H255 VanDerWaalsContact O-N 3.15Å
254	Y	54.5	Low	75.3	Confident	57 Å²	57	73.3 Å²	73.3	22%	0.224	35%	0.35	C	S	.	.			trans	-73.9	108.1	178.4	-71.7	-59.6	0	0	0	112.3	F249 N251 D259 I260 L263	F249-Y254 HydrophobicContact CD1-CE2 4.28Å; F249-Y254 AromaticContact CE1-CD2 3.99Å; F249-Y254 HydrophobicContact CE1-CD2 3.99Å; F249-Y254 AromaticContact CE1-CE2 3.09Å; F249-Y254 HydrophobicContact CE1-CE2 3.09Å; F249-Y254 AromaticContact CE1-CZ 3.45Å; F249-Y254 VanDerWaalsContact CE1-CZ 3.45Å; F249-Y254 WeakPolarHBondContact CE1-OH 3.37Å; F249-Y254 HydrophobicContact CE2-CE2 4.5Å; F249-Y254 WeakPolarHBondContact CE2-OH 3.25Å; F249-Y254 HydrophobicContact CZ-CD2 4.19Å; F249-Y254 AromaticContact CZ-CE1 3.91Å; F249-Y254 HydrophobicContact CZ-CE1 3.91Å; F249-Y254 AromaticContact CZ-CE2 3.25Å; F249-Y254 HydrophobicContact CZ-CE2 3.25Å; F249-Y254 AromaticContact CZ-CZ 3.06Å; F249-Y254 WeakPolarHBondContact CZ-OH 3.42Å; N251-Y254 WeakPolarHBondContact O-CD2 3.27Å; Y254-D259 HydrophobicContact CD1-CB 3.73Å; Y254-D259 HydrophobicContact CE1-CB 3.76Å; Y254-I260 HydrophobicContact CD1-CG1 3.92Å; Y254-I260 HydrophobicContact CE1-CG1 3.7Å; Y254-L263 WeakPolarHBondContact OH-CD2 3.44Å
255	H	56.5	Low	74.6	Confident	173 Å²	173	75.4 Å²	75.4	80%	0.801	36%	0.361	S	S	*	.			trans	-112.9	-14.7	163.7	-66	-59.7	0	0	0	112.6	I253	I253-H255 PolarHBondContact O-N 3.41Å; I253-H255 VanDerWaalsContact O-N 3.15Å
256	E	63.2	Low	73.9	Confident	129 Å²	129	75.5 Å²	75.5	60%	0.603	36%	0.361	S	S	*	.	S	Bend	trans	-134.8	143.7	-167.6	-60.2	-175	178.7	0	0	113.9	D258 D259	E256-D258 PolarHBondContact O-N 3.25Å; E256-D259 PolarHBondContact O-N 3.37Å
257	K	68.1	Low	73.2	Confident	188 Å²	188	76 Å²	76	82%	0.817	36%	0.364	S	S	*	.	H	α-helix	trans	-60.5	-25.5	-179.8	-74.4	-177.5	176.5	179.1	0	113.6	D259 R261	K257-D259 VanDerWaalsContact C-N 3.33Å; K257-R261 PolarHBondContact O-N 2.97Å
258	D	70.3	Confident	72.2	Confident	86 Å²	86	80.3 Å²	80.3	46%	0.46	38%	0.383	S	S	.	.	H	α-helix	trans	-70	-29.7	-177.4	-73	-11.6	0	0	0	112.3	E256 R261 N262	E256-D258 PolarHBondContact O-N 3.25Å; D258-R261 PolarHBondContact O-N 3.19Å; D258-N262 PolarHBondContact O-N 3.4Å; D258-N262 PolarHBondContact O-ND2 2.97Å
259	D	71.8	Confident	70.9	Confident	26 Å²	26	79.6 Å²	79.6	14%	0.139	38%	0.38	C	S	.	.	H	α-helix	trans	-71.3	-39	-179.9	-64.7	-26.3	0	0	0	112.1	H224 Y254 E256 K257 R261 N262 L263	H224-D259 IonicContact CE1-OD2 3.9Å; H224-D259 IonicContact NE2-OD1 3.49Å; H224-D259 IonicContact NE2-OD2 2.7Å; Y254-D259 HydrophobicContact CD1-CB 3.73Å; Y254-D259 HydrophobicContact CE1-CB 3.76Å; E256-D259 PolarHBondContact O-N 3.37Å; K257-D259 VanDerWaalsContact C-N 3.33Å; D259-R261 VanDerWaalsContact C-N 3.35Å; D259-N262 PolarHBondContact O-N 3.01Å; D259-L263 PolarHBondContact O-N 3.04Å
260	I	74.6	Confident	70	Confident	80 Å²	80	78.3 Å²	78.3	41%	0.41	38%	0.376	S	S	.	.	H	α-helix	trans	-63.2	-45.7	173.8	-62.5	173.7	0	0	0	109.4	Y254 N262 L263 E264	Y254-I260 HydrophobicContact CD1-CG1 3.92Å; Y254-I260 HydrophobicContact CE1-CG1 3.7Å; I260-N262 VanDerWaalsContact C-N 3.33Å; I260-N262 PolarHBondContact O-N 2.86Å; I260-L263 PolarHBondContact O-N 2.93Å; I260-E264 HydrophobicContact CG2-CG 4.48Å; I260-E264 WeakPolarHBondContact O-CG 3.48Å; I260-E264 PolarHBondContact O-N 2.67Å
261	R	77.8	Confident	69.3	Low	159 Å²	159	82 Å²	82	60%	0.6	39%	0.394	S	S	*	.	H	α-helix	trans	-59.6	-43.2	176.1	-177.8	-179.6	177.6	152.1	1.6	111.8	K257 D258 D259 E264 M265	K257-R261 PolarHBondContact O-N 2.97Å; D258-R261 PolarHBondContact O-N 3.19Å; D259-R261 VanDerWaalsContact C-N 3.35Å; R261-E264 PolarHBondContact O-N 3.44Å; R261-M265 VanDerWaalsContact O-CG 3.29Å; R261-M265 WeakPolarHBondContact O-CG 3.38Å; R261-M265 PolarHBondContact O-N 3.25Å
262	N	77.9	Confident	69.3	Low	15 Å²	15	76.9 Å²	76.9	8%	0.08	37%	0.367	C	S	.	.	H	α-helix	trans	-63.1	-42.7	177.2	-68.7	-33.6	0	0	0	111.4	D258 D259 I260 M265 V266	D258-N262 PolarHBondContact O-N 3.4Å; D258-N262 PolarHBondContact O-ND2 2.97Å; D259-N262 PolarHBondContact O-N 3.01Å; I260-N262 VanDerWaalsContact C-N 3.33Å; I260-N262 PolarHBondContact O-N 2.86Å; N262-M265 PolarHBondContact O-N 2.94Å; N262-M265 VanDerWaalsContact OD1-CE 3.32Å; N262-M265 WeakPolarHBondContact OD1-CE 3.49Å; N262-V266 WeakPolarHBondContact O-CG2 3.43Å; N262-V266 PolarHBondContact O-N 3.03Å
263	L	78	Confident	69.8	Low	28 Å²	28	74.6 Å²	74.6	15%	0.147	36%	0.363	C	S	.	.	H	α-helix	trans	-61.4	-45.5	175.2	178.5	63.7	0	0	0	111.7	F225 F249 Y254 D259 I260 M265 V266 L267	F225-L263 HydrophobicContact CE2-CD1 3.78Å; F225-L263 HydrophobicContact CZ-CD1 3.47Å; F225-L263 VanDerWaalsContact CZ-CD1 3.47Å; F249-L263 HydrophobicContact CD2-CD1 4.49Å; F249-L263 HydrophobicContact CD2-CD2 4.18Å; F249-L263 HydrophobicContact CE2-CD1 4.44Å; F249-L263 HydrophobicContact CE2-CD2 3.93Å; F249-L263 HydrophobicContact CZ-CD2 4.37Å; Y254-L263 WeakPolarHBondContact OH-CD2 3.44Å; D259-L263 PolarHBondContact O-N 3.04Å; I260-L263 PolarHBondContact O-N 2.93Å; L263-M265 VanDerWaalsContact C-N 3.28Å; L263-M265 PolarHBondContact O-N 2.61Å; L263-V266 PolarHBondContact O-N 2.85Å; L263-V266 VanDerWaalsContact O-N 3.1Å; L263-L267 HydrophobicContact CD1-CD1 3.86Å; L263-L267 HydrophobicContact CD1-CG 4.18Å; L263-L267 HydrophobicContact CD2-CD1 4.47Å; L263-L267 HydrophobicContact CG-CD1 3.96Å; L263-L267 PolarHBondContact O-N 2.83Å
264	E	80.1	Confident	71	Confident	103 Å²	103	76.8 Å²	76.8	48%	0.481	38%	0.375	S	S	.	.	H	α-helix	trans	-59.7	-40.3	175.8	-74.4	178	165.6	0	0	111.2	I260 R261 V266 L267 F268	I260-E264 HydrophobicContact CG2-CG 4.48Å; I260-E264 WeakPolarHBondContact O-CG 3.48Å; I260-E264 PolarHBondContact O-N 2.67Å; R261-E264 PolarHBondContact O-N 3.44Å; E264-V266 VanDerWaalsContact C-N 3.31Å; E264-V266 PolarHBondContact O-N 3Å; E264-L267 PolarHBondContact O-N 3.09Å; E264-F268 HydrophobicContact CB-CD2 3.95Å; E264-F268 HydrophobicContact CB-CE2 4.42Å; E264-F268 HydrophobicContact CG-CD2 4.16Å; E264-F268 HydrophobicContact CG-CE2 4.16Å; E264-F268 WeakPolarHBondContact O-CA 3.46Å; E264-F268 VanDerWaalsContact O-CB 3.25Å; E264-F268 WeakPolarHBondContact O-CB 3.46Å; E264-F268 VanDerWaalsContact O-CD2 3.28Å; E264-F268 WeakPolarHBondContact O-CD2 3.38Å; E264-F268 PolarHBondContact O-N 3.46Å
265	M	80.9	Confident	72.6	Confident	45 Å²	45	75.4 Å²	75.4	22%	0.222	37%	0.373	C	S	.	.	H	α-helix	trans	-65.3	-33.1	175.4	-71.7	-164.8	-54	0	0	112.8	V213 E217 R261 N262 L263 G269	V213-M265 HydrophobicContact CG2-CB 3.92Å; V213-M265 WeakPolarHBondContact CG2-O 3.17Å; E217-M265 HydrophobicContact CB-CE 4.45Å; R261-M265 VanDerWaalsContact O-CG 3.29Å; R261-M265 WeakPolarHBondContact O-CG 3.38Å; R261-M265 PolarHBondContact O-N 3.25Å; N262-M265 PolarHBondContact O-N 2.94Å; N262-M265 VanDerWaalsContact OD1-CE 3.32Å; N262-M265 WeakPolarHBondContact OD1-CE 3.49Å; L263-M265 VanDerWaalsContact C-N 3.28Å; L263-M265 PolarHBondContact O-N 2.61Å; M265-G269 WeakPolarHBondContact O-CA 3.43Å; M265-G269 PolarHBondContact O-N 2.8Å
266	V	82.8	Confident	74.3	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.012	35%	0.35	C	S	.	.	H	α-helix	trans	-75	-39.3	177.8	177	0	0	0	0	111.8	P210 V213 L218 P231 N262 L263 E264	P210-V266 VanDerWaalsContact CG-O 3.28Å; P210-V266 WeakPolarHBondContact CG-O 3.3Å; V213-V266 HydrophobicContact CG1-CG2 4.46Å; L218-V266 HydrophobicContact CD2-CG2 3.62Å; P231-V266 HydrophobicContact CB-CG1 3.92Å; P231-V266 HydrophobicContact CG-CG1 3.9Å; P231-V266 WeakPolarHBondContact O-CG1 3.49Å; N262-V266 WeakPolarHBondContact O-CG2 3.43Å; N262-V266 PolarHBondContact O-N 3.03Å; L263-V266 PolarHBondContact O-N 2.85Å; L263-V266 VanDerWaalsContact O-N 3.1Å; E264-V266 VanDerWaalsContact C-N 3.31Å; E264-V266 PolarHBondContact O-N 3Å
267	L	79.6	Confident	75.7	Confident	18 Å²	18	66.6 Å²	66.6	9%	0.094	34%	0.34	C	S	.	.	H	α-helix	trans	-82.3	-38	-179.4	-69.8	173.2	0	0	0	113.4	P231 L244 M246 L263 E264 A351	P231-L267 HydrophobicContact CB-CD2 3.65Å; P231-L267 HydrophobicContact CG-CD2 3.56Å; P231-L267 HydrophobicContact CG-CG 4.14Å; L244-L267 HydrophobicContact CD1-CD2 4.43Å; M246-L267 HydrophobicContact SD-CD2 4.14Å; L263-L267 HydrophobicContact CD1-CD1 3.86Å; L263-L267 HydrophobicContact CD1-CG 4.18Å; L263-L267 HydrophobicContact CD2-CD1 4.47Å; L263-L267 HydrophobicContact CG-CD1 3.96Å; L263-L267 PolarHBondContact O-N 2.83Å; E264-L267 PolarHBondContact O-N 3.09Å; L267-A351 HydrophobicContact CD2-CB 4.44Å
268	F	74.4	Confident	77	Confident	89 Å²	89	58.3 Å²	58.3	39%	0.39	31%	0.305	S	S	.	.	H	α-helix	trans	-115.9	5.7	-173.3	-48.3	-75.6	0	0	0	113.5	E264 C270 C275	E264-F268 HydrophobicContact CB-CD2 3.95Å; E264-F268 HydrophobicContact CB-CE2 4.42Å; E264-F268 HydrophobicContact CG-CD2 4.16Å; E264-F268 HydrophobicContact CG-CE2 4.16Å; E264-F268 WeakPolarHBondContact O-CA 3.46Å; E264-F268 VanDerWaalsContact O-CB 3.25Å; E264-F268 WeakPolarHBondContact O-CB 3.46Å; E264-F268 VanDerWaalsContact O-CD2 3.28Å; E264-F268 WeakPolarHBondContact O-CD2 3.38Å; E264-F268 PolarHBondContact O-N 3.46Å; F268-C270 PolarHBondContact O-N 2.98Å; F268-C270 VanDerWaalsContact O-O 3.1Å; F268-C275 HydrophobicContact CD1-CB 3.75Å; F268-C275 HydrophobicContact CE1-CB 3.27Å; F268-C275 HydrophobicContact CZ-CB 4.03Å
269	G	64.1	Low	78.1	Confident	18 Å²	18	58.8 Å²	58.8	19%	0.186	30%	0.304	C	S	.	.	S	Bend	trans	-65.8	-7.1	-179.8	0	0	0	0	0	115	M265	M265-G269 WeakPolarHBondContact O-CA 3.43Å; M265-G269 PolarHBondContact O-N 2.8Å
270	C	66.3	Low	79.3	Confident	13 Å²	13	57.5 Å²	57.5	9%	0.088	30%	0.298	C	S	.	.	S	Bend	trans	-92	173.7	175.1	-66.6	0	0	0	0	111.8	W188 F268 S272	W188-C270 HydrophobicContact CZ2-CB 4.25Å; W188-C270 WeakPolarHBondContact CZ2-SG 3.46Å; F268-C270 PolarHBondContact O-N 2.98Å; F268-C270 VanDerWaalsContact O-O 3.1Å; C270-S272 PolarHBondContact O-N 3.12Å
271	Q	60.7	Low	79.8	Confident	162 Å²	162	55.9 Å²	55.9	76%	0.757	30%	0.301	S	S	*	.	S	Bend	trans	-63.5	-13.3	-176.2	-69.8	172.9	-19.1	0	0	114.4
272	S	62.7	Low	80.1	Confident	6 Å²	6	56.1 Å²	56.1	4%	0.042	31%	0.314	C	S	.	.			trans	-79.5	119.9	178.9	-57	0	0	0	0	110.7	C270 L274 H347	C270-S272 PolarHBondContact O-N 3.12Å; S272-L274 PolarHBondContact O-N 3.11Å; S272-H347 WeakPolarHBondContact CB-O 3.38Å; S272-H347 PolarHBondContact OG-O 3.06Å
273	S	64.6	Low	80.6	Confident	105 Å²	105	59.8 Å²	59.8	73%	0.734	33%	0.331	S	S	*	.	S	Bend	trans	-76.4	-4.2	176.7	54.4	0	0	0	0	113.9
274	L	82.4	Confident	81.5	Confident	111 Å²	111	59 Å²	59	58%	0.581	33%	0.327	S	S	*	.			trans	-133.7	130.3	-173.6	-68.6	167.4	0	0	0	110.6	S272 L348 T349	S272-L274 PolarHBondContact O-N 3.11Å; L274-L348 HydrophobicContact CB-CD1 3.61Å; L274-T349 PolarHBondContact O-N 2.67Å
275	C	88.5	Confident	82.3	Confident	27 Å²	27	54.5 Å²	54.5	18%	0.182	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.7	172.2	-174.7	0	0	0	0	109.2	F268 T349	F268-C275 HydrophobicContact CD1-CB 3.75Å; F268-C275 HydrophobicContact CE1-CB 3.27Å; F268-C275 HydrophobicContact CZ-CB 4.03Å; C275-T349 CarbonylContact C-O 3.42Å; C275-T349 VanDerWaalsContact CA-O 3.23Å; C275-T349 WeakPolarHBondContact CA-O 3.32Å
276	V	91.8	Very high	83	Confident	55 Å²	55	54.7 Å²	54.7	33%	0.333	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.5	172	171.1	0	0	0	0	108.2	V278 L342 L348 T349 V350 A351	V276-V278 HydrophobicContact CG1-CG2 4.14Å; V276-L342 HydrophobicContact CG1-CD1 4.22Å; V276-L348 HydrophobicContact CB-CD2 4.33Å; V276-L348 HydrophobicContact CG2-CD1 4Å; V276-L348 HydrophobicContact CG2-CD2 3.96Å; V276-L348 HydrophobicContact CG2-CG 4.4Å; V276-T349 PolarHBondContact N-O 2.83Å; V276-V350 CarbonylContact O-C 3.49Å; V276-V350 WeakPolarHBondContact O-CA 3.28Å; V276-A351 PolarHBondContact O-N 3.38Å
277	V	92.6	Very high	83.7	Confident	62 Å²	62	56 Å²	56	38%	0.376	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.7	171.9	-178.9	0	0	0	0	108.5	M246 A351 Q353	M246-V277 HydrophobicContact CE-CB 4.23Å; M246-V277 HydrophobicContact CE-CG1 3.51Å; M246-V277 HydrophobicContact CE-CG2 3.67Å; V277-A351 CarbonylContact C-O 3.54Å; V277-A351 WeakPolarHBondContact CA-O 3.48Å; V277-A351 HydrophobicContact CG2-CB 4.49Å; V277-Q353 HydrophobicContact CG1-CB 3.85Å
278	V	95.2	Very high	84.4	Confident	15 Å²	15	58.3 Å²	58.3	9%	0.091	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	107.1	176.9	-179.6	0	0	0	0	107.8	V276 L280 K335 V339 L342 V350 A351 L352 Q353	V276-V278 HydrophobicContact CG1-CG2 4.14Å; V278-L280 HydrophobicContact CG1-CD2 4.07Å; V278-K335 HydrophobicContact CG1-CD 4.08Å; V278-V339 HydrophobicContact CG1-CG2 4.18Å; V278-V339 HydrophobicContact CG2-CG2 4.42Å; V278-L342 HydrophobicContact CG2-CD1 4.11Å; V278-V350 HydrophobicContact CG2-CG1 3.68Å; V278-A351 PolarHBondContact N-O 3.34Å; V278-L352 HydrophobicContact CB-CD2 4.06Å; V278-L352 HydrophobicContact CG1-CD2 4.36Å; V278-Q353 PolarHBondContact O-N 3.07Å
279	E	94.4	Very high	85.5	Confident	95 Å²	95	57.2 Å²	57.2	44%	0.444	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	126.9	176.4	-65	-71	-176.3	0	0	110.3	Q353	E279-Q353 PolarHBondContact OE1-OE1 2.88Å; E279-Q353 WeakPolarHBondContact OE2-CG 3.28Å
280	L	95.3	Very high	87.1	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.331	C	S	.	.			trans	-100.6	-28.4	-179.2	-59	-174.7	0	0	0	112.8	V278 D282 E283 L284 K335 L352 Q353 M360 V364	V278-L280 HydrophobicContact CG1-CD2 4.07Å; L280-D282 PolarHBondContact O-N 2.81Å; L280-E283 PolarHBondContact O-N 3.06Å; L280-L284 HydrophobicContact CB-CD1 4.21Å; L280-L284 HydrophobicContact CD2-CD1 3.97Å; L280-L284 WeakPolarHBondContact O-CB 3.33Å; L280-L284 PolarHBondContact O-N 3.03Å; L280-K335 HydrophobicContact CD2-CD 4.48Å; L280-K335 HydrophobicContact CD2-CG 4.1Å; L280-L352 HydrophobicContact CD1-CB 4.23Å; L280-Q353 WeakPolarHBondContact CB-O 3.41Å; L280-Q353 PolarHBondContact N-O 3.23Å; L280-M360 HydrophobicContact CB-CB 4.25Å; L280-M360 HydrophobicContact CD1-CB 4.14Å; L280-V364 HydrophobicContact CD1-CB 4.25Å; L280-V364 HydrophobicContact CD1-CG2 4.09Å; L280-V364 HydrophobicContact CD2-CG2 4.14Å
281	G	86.1	Confident	88.5	Confident	46 Å²	46	57.1 Å²	57.1	47%	0.474	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-35.8	-168.2	0	0	0	0	0	115.1
282	D	83.6	Confident	90.2	Very high	164 Å²	164	53.6 Å²	53.6	88%	0.877	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-20.4	-177.8	-66	-23.2	0	0	0	112.9	L280	L280-D282 PolarHBondContact O-N 2.81Å
283	E	89.4	Confident	91.9	Very high	92 Å²	92	53.4 Å²	53.4	43%	0.43	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-21.3	-172.4	-71.2	-158.3	-132.9	0	0	114.2	L280 L331 K335	L280-E283 PolarHBondContact O-N 3.06Å; E283-L331 WeakPolarHBondContact O-CD2 3.38Å; E283-K335 IonicContact OE1-NZ 3.06Å; E283-K335 PolarHBondContact OE1-NZ 2.71Å; E283-K335 WeakPolarHBondContact OE2-CE 3.39Å; E283-K335 IonicContact OE2-NZ 3.12Å; E283-K335 PolarHBondContact OE2-NZ 2.74Å
284	L	96.5	Very high	93.3	Very high	12 Å²	12	49.4 Å²	49.4	6%	0.063	29%	0.288	C	S	.	.	S	Bend	trans	-116.9	155.9	-176.1	-62.9	-173.5	0	0	0	110.7	L280 L331 I332 K335 M360 V364	L280-L284 HydrophobicContact CB-CD1 4.21Å; L280-L284 HydrophobicContact CD2-CD1 3.97Å; L280-L284 WeakPolarHBondContact O-CB 3.33Å; L280-L284 PolarHBondContact O-N 3.03Å; L284-L331 HydrophobicContact CD2-CD1 4.41Å; L284-L331 HydrophobicContact CD2-CD2 4.43Å; L284-L331 HydrophobicContact CD2-CG 3.8Å; L284-I332 HydrophobicContact CD2-CG1 4.11Å; L284-K335 HydrophobicContact CD1-CG 4.27Å; L284-K335 HydrophobicContact CD2-CB 4Å; L284-K335 HydrophobicContact CD2-CG 4.3Å; L284-M360 HydrophobicContact CB-CG 3.99Å; L284-M360 HydrophobicContact CB-SD 4.02Å; L284-M360 HydrophobicContact CD1-CB 4.11Å; L284-M360 HydrophobicContact CD1-CG 4.16Å; L284-M360 HydrophobicContact CD1-SD 3.95Å; L284-V364 HydrophobicContact CD1-CG2 3.64Å
285	P	96.8	Very high	93.9	Very high	7 Å²	7	46.6 Å²	46.6	5%	0.045	28%	0.278	C	S	.	.			trans	-65.1	144	-177.9	28.8	-37.9	0	0	0	112	D289 I290 Y328 I332 M360	P285-D289 HydrophobicContact CB-CB 3.95Å; P285-I290 HydrophobicContact CB-CG1 3.99Å; P285-I290 HydrophobicContact CG-CD1 4.28Å; P285-I290 HydrophobicContact CG-CG1 3.93Å; P285-Y328 HydrophobicContact CB-CD1 3.75Å; P285-Y328 HydrophobicContact CB-CD2 3.96Å; P285-Y328 HydrophobicContact CB-CE1 3.73Å; P285-Y328 HydrophobicContact CB-CE2 3.92Å; P285-Y328 HydrophobicContact CB-CG 3.89Å; P285-Y328 HydrophobicContact CG-CD1 3.79Å; P285-Y328 HydrophobicContact CG-CD2 4.08Å; P285-Y328 HydrophobicContact CG-CE1 4.3Å; P285-Y328 HydrophobicContact CG-CG 3.69Å; P285-I332 HydrophobicContact CG-CD1 4.44Å; P285-M360 HydrophobicContact CG-CE 4.4Å
286	S	95.9	Very high	94.1	Very high	50 Å²	50	50.6 Å²	50.6	35%	0.35	29%	0.289	S	S	.	.			trans	-71.3	161.3	171.8	73.8	0	0	0	0	111.3	A288 D289 I290	S286-A288 PolarHBondContact O-N 2.82Å; S286-A288 VanDerWaalsContact O-N 3.15Å; S286-D289 VanDerWaalsContact CB-OD2 3.31Å; S286-D289 WeakPolarHBondContact CB-OD2 3.46Å; S286-D289 PolarHBondContact N-OD2 3.04Å; S286-D289 WeakPolarHBondContact O-CB 3.43Å; S286-D289 PolarHBondContact O-N 3.37Å; S286-D289 PolarHBondContact OG-N 3.16Å; S286-D289 PolarHBondContact OG-OD2 2.92Å; S286-I290 WeakPolarHBondContact O-CG1 3.28Å; S286-I290 PolarHBondContact O-N 3.28Å; S286-I290 VanDerWaalsContact O-N 3.1Å
287	P	95.9	Very high	94.3	Very high	30 Å²	30	49.1 Å²	49.1	20%	0.195	28%	0.279	C	S	.	.	H	α-helix	trans	-52.2	-36.3	172.7	-28.9	36.4	0	0	0	113.7	I290 Q291 D359 S412	P287-I290 PolarHBondContact O-N 2.88Å; P287-Q291 PolarHBondContact O-N 2.86Å; P287-D359 HydrophobicContact CG-CB 4.32Å; P287-S412 WeakPolarHBondContact CA-OG 3.4Å; P287-S412 WeakPolarHBondContact O-CB 3.4Å; P287-S412 PolarHBondContact O-OG 3.4Å
288	A	95.4	Very high	94.2	Very high	65 Å²	65	48.3 Å²	48.3	54%	0.537	27%	0.269	S	S	.	.	H	α-helix	trans	-67.3	-40.7	177.6	0	0	0	0	0	112.4	S286 I290 Q291 L292	S286-A288 PolarHBondContact O-N 2.82Å; S286-A288 VanDerWaalsContact O-N 3.15Å; A288-I290 VanDerWaalsContact C-N 3.33Å; A288-I290 PolarHBondContact O-N 3.48Å; A288-Q291 PolarHBondContact O-N 3.12Å; A288-L292 PolarHBondContact O-N 3.41Å
289	D	96.8	Very high	94	Very high	66 Å²	66	50.5 Å²	50.5	35%	0.353	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-42.7	176.2	-62.1	-46.9	0	0	0	111.2	P285 S286 L292 A293 Y328	P285-D289 HydrophobicContact CB-CB 3.95Å; S286-D289 VanDerWaalsContact CB-OD2 3.31Å; S286-D289 WeakPolarHBondContact CB-OD2 3.46Å; S286-D289 PolarHBondContact N-OD2 3.04Å; S286-D289 WeakPolarHBondContact O-CB 3.43Å; S286-D289 PolarHBondContact O-N 3.37Å; S286-D289 PolarHBondContact OG-N 3.16Å; S286-D289 PolarHBondContact OG-OD2 2.92Å; D289-L292 PolarHBondContact O-N 2.82Å; D289-A293 WeakPolarHBondContact O-CB 3.31Å; D289-A293 PolarHBondContact O-N 2.74Å; D289-Y328 HydrophobicContact CB-CE2 4.08Å
290	I	97.8	Very high	93.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-42.7	178.3	-60.2	161.6	0	0	0	110.9	P285 S286 P287 A288 L292 A293 H294 W325 M360 P413 V414 L417	P285-I290 HydrophobicContact CB-CG1 3.99Å; P285-I290 HydrophobicContact CG-CD1 4.28Å; P285-I290 HydrophobicContact CG-CG1 3.93Å; S286-I290 WeakPolarHBondContact O-CG1 3.28Å; S286-I290 PolarHBondContact O-N 3.28Å; S286-I290 VanDerWaalsContact O-N 3.1Å; P287-I290 PolarHBondContact O-N 2.88Å; A288-I290 VanDerWaalsContact C-N 3.33Å; A288-I290 PolarHBondContact O-N 3.48Å; I290-L292 VanDerWaalsContact C-N 3.33Å; I290-L292 PolarHBondContact O-N 3.1Å; I290-A293 PolarHBondContact O-N 3.12Å; I290-H294 VanDerWaalsContact O-CB 3.3Å; I290-H294 WeakPolarHBondContact O-CB 3.38Å; I290-H294 PolarHBondContact O-N 3.12Å; I290-W325 HydrophobicContact CG2-CH2 4.39Å; I290-W325 HydrophobicContact CG2-CZ3 3.78Å; I290-M360 HydrophobicContact CD1-CE 3.16Å; I290-M360 HydrophobicContact CG1-CE 4.39Å; I290-P413 HydrophobicContact CG2-CG 3.89Å; I290-V414 HydrophobicContact CD1-CG2 4.13Å; I290-L417 HydrophobicContact CD1-CD2 3.81Å; I290-L417 HydrophobicContact CG1-CD2 3.9Å; I290-L417 HydrophobicContact CG2-CB 4.46Å; I290-L417 HydrophobicContact CG2-CD2 4.02Å
291	Q	96.4	Very high	93.4	Very high	29 Å²	29	49.9 Å²	49.9	14%	0.136	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-41.6	177.1	179	61.3	6.5	0	0	111.5	P287 A288 S295 E411	P287-Q291 PolarHBondContact O-N 2.86Å; A288-Q291 PolarHBondContact O-N 3.12Å; Q291-S295 VanDerWaalsContact O-CB 3.32Å; Q291-S295 WeakPolarHBondContact O-CB 3.43Å; Q291-S295 PolarHBondContact O-N 2.65Å; Q291-S295 PolarHBondContact O-OG 3.24Å; Q291-E411 VanDerWaalsContact CB-O 3.3Å; Q291-E411 WeakPolarHBondContact CB-O 3.45Å; Q291-E411 WeakPolarHBondContact CG-O 3.42Å; Q291-E411 VanDerWaalsContact NE2-CD 3.32Å; Q291-E411 PolarHBondContact NE2-OE1 2.67Å
292	L	96.2	Very high	93.4	Very high	88 Å²	88	49.7 Å²	49.7	46%	0.461	28%	0.281	S	S	.	.	H	α-helix	trans	-64.9	-46.2	176.5	-179.3	60.2	0	0	0	111.5	A288 D289 I290 S295 R296	A288-L292 PolarHBondContact O-N 3.41Å; D289-L292 PolarHBondContact O-N 2.82Å; I290-L292 VanDerWaalsContact C-N 3.33Å; I290-L292 PolarHBondContact O-N 3.1Å; L292-S295 PolarHBondContact O-N 2.96Å; L292-R296 WeakPolarHBondContact O-CG 3.47Å; L292-R296 PolarHBondContact O-N 2.71Å
293	A	97.8	Very high	92.9	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-46.6	177.5	0	0	0	0	0	112	D289 I290 S295 R296 L297 T323 W325 Y328	D289-A293 WeakPolarHBondContact O-CB 3.31Å; D289-A293 PolarHBondContact O-N 2.74Å; I290-A293 PolarHBondContact O-N 3.12Å; A293-S295 PolarHBondContact O-N 2.79Å; A293-R296 PolarHBondContact O-N 2.63Å; A293-L297 WeakPolarHBondContact O-CB 3.39Å; A293-L297 PolarHBondContact O-N 2.81Å; A293-T323 WeakPolarHBondContact CA-O 3.41Å; A293-T323 WeakPolarHBondContact CB-O 3.41Å; A293-W325 HydrophobicContact CB-CE3 4.23Å; A293-Y328 HydrophobicContact CB-CD2 3.91Å; A293-Y328 HydrophobicContact CB-CE2 3.67Å
294	H	95.6	Very high	91.7	Very high	21 Å²	21	43.8 Å²	43.8	10%	0.097	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-43.3	175.5	175.7	-110.8	0	0	0	112.4	I290 R296 L297 R298 W325 P413	I290-H294 VanDerWaalsContact O-CB 3.3Å; I290-H294 WeakPolarHBondContact O-CB 3.38Å; I290-H294 PolarHBondContact O-N 3.12Å; H294-R296 VanDerWaalsContact C-N 3.29Å; H294-R296 PolarHBondContact O-N 2.97Å; H294-L297 PolarHBondContact O-N 3.06Å; H294-R298 WeakPolarHBondContact O-CB 3.33Å; H294-R298 PolarHBondContact O-N 2.9Å; H294-W325 HydrophobicContact CB-CE3 4.09Å; H294-W325 HydrophobicContact CB-CH2 4.49Å; H294-W325 HydrophobicContact CB-CZ3 3.73Å; H294-P413 HydrophobicContact CB-CG 3.48Å; H294-P413 VanDerWaalsContact CB-CG 3.48Å
295	S	93.1	Very high	89.9	Confident	53 Å²	53	45.3 Å²	45.3	37%	0.371	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-39.7	178.3	-63.1	0	0	0	0	111.9	Q291 L292 A293 A299	Q291-S295 VanDerWaalsContact O-CB 3.32Å; Q291-S295 WeakPolarHBondContact O-CB 3.43Å; Q291-S295 PolarHBondContact O-N 2.65Å; Q291-S295 PolarHBondContact O-OG 3.24Å; L292-S295 PolarHBondContact O-N 2.96Å; A293-S295 PolarHBondContact O-N 2.79Å; S295-A299 WeakPolarHBondContact O-CB 3.48Å; S295-A299 PolarHBondContact O-N 2.95Å
296	R	94.3	Very high	87.7	Confident	111 Å²	111	49.9 Å²	49.9	42%	0.419	30%	0.302	S	S	.	.	H	α-helix	trans	-67.2	-46.4	174.5	-69.8	175.8	179.4	177.9	4.7	112	L292 A293 H294 R298 A299 L300 G322 T323	L292-R296 WeakPolarHBondContact O-CG 3.47Å; L292-R296 PolarHBondContact O-N 2.71Å; A293-R296 PolarHBondContact O-N 2.63Å; H294-R296 VanDerWaalsContact C-N 3.29Å; H294-R296 PolarHBondContact O-N 2.97Å; R296-R298 VanDerWaalsContact C-N 3.3Å; R296-R298 PolarHBondContact O-N 2.78Å; R296-A299 PolarHBondContact O-N 3.19Å; R296-L300 WeakPolarHBondContact O-CB 3.18Å; R296-L300 PolarHBondContact O-N 3.3Å; R296-G322 PolarHBondContact NH1-O 3.16Å; R296-G322 VanDerWaalsContact NH1-O 3.12Å; R296-T323 HydrophobicContact CB-CG2 3.99Å
297	L	94.9	Very high	85.7	Confident	24 Å²	24	50.3 Å²	50.3	13%	0.126	31%	0.305	C	S	.	.	H	α-helix	trans	-59.2	-44.1	176.5	179.4	64.6	0	0	0	111.2	A293 H294 L300 C301 L320 T323 W325	A293-L297 WeakPolarHBondContact O-CB 3.39Å; A293-L297 PolarHBondContact O-N 2.81Å; H294-L297 PolarHBondContact O-N 3.06Å; L297-L300 WeakPolarHBondContact O-CB 3.27Å; L297-L300 PolarHBondContact O-N 3.35Å; L297-C301 PolarHBondContact O-N 3.27Å; L297-C301 PolarHBondContact O-SG 3.27Å; L297-C301 VanDerWaalsContact O-SG 3.34Å; L297-L320 HydrophobicContact CD1-CD1 3.6Å; L297-T323 HydrophobicContact CB-CG2 4.26Å; L297-W325 HydrophobicContact CB-CB 4.46Å; L297-W325 HydrophobicContact CD2-CB 3.99Å; L297-W325 VanDerWaalsContact CD2-CD1 3.49Å; L297-W325 HydrophobicContact CD2-CD2 4Å; L297-W325 HydrophobicContact CD2-CG 3.55Å
298	R	91.1	Very high	83.5	Confident	44 Å²	44	55 Å²	55	17%	0.166	34%	0.339	C	S	.	.	H	α-helix	trans	-60.3	-47.8	176.7	176	159.5	-167.6	-128.3	2.5	112.6	E73 C103 M106 H294 R296 L300 C301 L302	E73-R298 VanDerWaalsContact CD-NH1 3.25Å; E73-R298 IonicContact OE1-CZ 3.63Å; E73-R298 IonicContact OE1-NH1 2.99Å; E73-R298 PolarHBondContact OE1-NH1 3.04Å; E73-R298 IonicContact OE1-NH2 3.78Å; E73-R298 PolarHBondContact OE1-NH2 3.39Å; E73-R298 IonicContact OE2-CZ 3.13Å; E73-R298 IonicContact OE2-NH1 2.78Å; E73-R298 PolarHBondContact OE2-NH1 3.03Å; E73-R298 IonicContact OE2-NH2 3.83Å; E73-R298 PolarHBondContact OE2-NH2 3.15Å; C103-R298 PolarHBondContact O-NH2 3.37Å; M106-R298 HydrophobicContact CE-CB 4.08Å; M106-R298 HydrophobicContact CE-CG 4.31Å; M106-R298 HydrophobicContact SD-CB 3.54Å; M106-R298 VanDerWaalsContact SD-CB 3.54Å; M106-R298 WeakPolarHBondContact SD-CD 3.46Å; M106-R298 HydrophobicContact SD-CG 3.31Å; M106-R298 WeakPolarHBondContact SD-CG 3.27Å; H294-R298 WeakPolarHBondContact O-CB 3.33Å; H294-R298 PolarHBondContact O-N 2.9Å; R296-R298 VanDerWaalsContact C-N 3.3Å; R296-R298 PolarHBondContact O-N 2.78Å; R298-L300 VanDerWaalsContact C-N 3.28Å; R298-L300 PolarHBondContact O-N 2.7Å; R298-C301 PolarHBondContact O-N 3.14Å; R298-L302 HydrophobicContact CG-CD1 3.89Å; R298-L302 HydrophobicContact CG-CG 4.41Å; R298-L302 WeakPolarHBondContact O-CB 3.21Å; R298-L302 WeakPolarHBondContact O-CG 3.2Å; R298-L302 PolarHBondContact O-N 3.48Å
299	A	89.7	Confident	81.7	Confident	61 Å²	61	57.2 Å²	57.2	50%	0.504	35%	0.345	S	S	.	.	H	α-helix	trans	-60.7	-40	176.2	0	0	0	0	0	111.7	S295 R296 G303	S295-A299 WeakPolarHBondContact O-CB 3.48Å; S295-A299 PolarHBondContact O-N 2.95Å; R296-A299 PolarHBondContact O-N 3.19Å; A299-G303 WeakPolarHBondContact O-CA 3.42Å; A299-G303 PolarHBondContact O-N 2.7Å
300	L	90.6	Very high	80.4	Confident	15 Å²	15	58.9 Å²	58.9	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-63.4	-47.4	176.5	-180	60.5	0	0	0	112	R296 L297 R298 V311 W316 T319 L320 T323	R296-L300 WeakPolarHBondContact O-CB 3.18Å; R296-L300 PolarHBondContact O-N 3.3Å; L297-L300 WeakPolarHBondContact O-CB 3.27Å; L297-L300 PolarHBondContact O-N 3.35Å; R298-L300 VanDerWaalsContact C-N 3.28Å; R298-L300 PolarHBondContact O-N 2.7Å; L300-V311 HydrophobicContact CD1-CB 4.18Å; L300-V311 HydrophobicContact CD1-CG1 4.39Å; L300-V311 HydrophobicContact CD1-CG2 3.7Å; L300-W316 HydrophobicContact CD1-CD2 4.26Å; L300-W316 HydrophobicContact CD1-CE3 3.52Å; L300-W316 HydrophobicContact CD1-CH2 3.78Å; L300-W316 HydrophobicContact CD1-CZ2 4.45Å; L300-W316 HydrophobicContact CD1-CZ3 3.25Å; L300-W316 HydrophobicContact CD2-CH2 4.32Å; L300-W316 HydrophobicContact CD2-CZ2 4.3Å; L300-W316 HydrophobicContact CD2-CZ3 4.5Å; L300-W316 HydrophobicContact CG-CE3 4.12Å; L300-W316 HydrophobicContact CG-CH2 3.52Å; L300-W316 HydrophobicContact CG-CZ2 3.98Å; L300-W316 HydrophobicContact CG-CZ3 3.59Å; L300-W316 VanDerWaalsContact O-CH2 3.27Å; L300-W316 WeakPolarHBondContact O-CH2 3.1Å; L300-W316 WeakPolarHBondContact O-CZ3 3.48Å; L300-T319 HydrophobicContact CD1-CG2 3.63Å; L300-T319 HydrophobicContact CD2-CG2 4.26Å; L300-T319 HydrophobicContact CG-CG2 4.47Å; L300-L320 VanDerWaalsContact CD2-CA 3.48Å; L300-L320 HydrophobicContact CD2-CB 3.86Å; L300-L320 HydrophobicContact CD2-CD1 4.16Å; L300-T323 HydrophobicContact CD2-CG2 4.07Å
301	C	88.6	Confident	79.6	Confident	67 Å²	67	61.1 Å²	61.1	45%	0.453	38%	0.376	S	S	.	.	H	α-helix	trans	-73.4	-37.2	-176.9	-68.3	0	0	0	0	114.2	M106 L297 R298	M106-C301 HydrophobicContact CE-CB 3.92Å; L297-C301 PolarHBondContact O-N 3.27Å; L297-C301 PolarHBondContact O-SG 3.27Å; L297-C301 VanDerWaalsContact O-SG 3.34Å; R298-C301 PolarHBondContact O-N 3.14Å
302	L	85.1	Confident	79	Confident	42 Å²	42	62.8 Å²	62.8	22%	0.22	39%	0.389	C	S	.	.	H	α-helix	trans	-99.5	-17	-172.2	-56	-173.6	0	0	0	113.6	M106 V108 R298	M106-L302 HydrophobicContact CE-CG 4.45Å; M106-L302 HydrophobicContact SD-CD1 3.93Å; M106-L302 HydrophobicContact SD-CG 4.28Å; V108-L302 HydrophobicContact CG2-CD2 3.84Å; R298-L302 HydrophobicContact CG-CD1 3.89Å; R298-L302 HydrophobicContact CG-CG 4.41Å; R298-L302 WeakPolarHBondContact O-CB 3.21Å; R298-L302 WeakPolarHBondContact O-CG 3.2Å; R298-L302 PolarHBondContact O-N 3.48Å
303	G	72.8	Confident	78.4	Confident	43 Å²	43	66 Å²	66	44%	0.443	41%	0.407	S	S	.	.			trans	68.9	171.4	-171.5	0	0	0	0	0	113.1	A299	A299-G303 WeakPolarHBondContact O-CA 3.42Å; A299-G303 PolarHBondContact O-N 2.7Å
304	D	64.4	Low	78.1	Confident	90 Å²	90	72.1 Å²	72.1	48%	0.481	44%	0.439	S	S	.	.			trans	-97.2	127.3	169.4	-169.2	-23.7	0	0	0	109	S306 S307	D304-S306 PolarHBondContact O-N 3.4Å; D304-S306 WeakPolarHBondContact OD1-CB 3.42Å; D304-S306 PolarHBondContact OD1-N 3.01Å; D304-S306 PolarHBondContact OD1-OG 3.1Å; D304-S306 PolarHBondContact OD2-OG 3.5Å; D304-S307 WeakPolarHBondContact CB-OG 3.18Å; D304-S307 PolarHBondContact O-N 2.7Å; D304-S307 VanDerWaalsContact O-O 3.07Å
305	I	58.4	Low	77.9	Confident	44 Å²	44	76.7 Å²	76.7	23%	0.226	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-28.4	176.1	-61.7	146.7	0	0	0	111.4	K74 V76 T83 Y102	K74-I305 HydrophobicContact CB-CD1 4.47Å; K74-I305 HydrophobicContact CD-CD1 3.77Å; V76-I305 HydrophobicContact CB-CG2 4.43Å; V76-I305 HydrophobicContact CG1-CG2 3.63Å; V76-I305 HydrophobicContact CG2-CD1 3.5Å; V76-I305 HydrophobicContact CG2-CG1 3.98Å; V76-I305 HydrophobicContact CG2-CG2 3.91Å; T83-I305 HydrophobicContact CG2-CG2 3.65Å; Y102-I305 HydrophobicContact CD2-CD1 3.89Å; Y102-I305 HydrophobicContact CD2-CG1 4.34Å; Y102-I305 HydrophobicContact CE1-CD1 4.44Å; Y102-I305 HydrophobicContact CE1-CG1 4.2Å; Y102-I305 HydrophobicContact CE2-CD1 3.54Å; Y102-I305 HydrophobicContact CE2-CG1 3.49Å; Y102-I305 VanDerWaalsContact CE2-CG1 3.49Å; Y102-I305 HydrophobicContact CG-CD1 4.49Å; Y102-I305 VanDerWaalsContact CZ-CG1 3.41Å; Y102-I305 VanDerWaalsContact OH-CG1 3.29Å; Y102-I305 WeakPolarHBondContact OH-CG1 3.35Å
306	S	50.9	Low	77.9	Confident	102 Å²	102	78.6 Å²	78.6	71%	0.713	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-12.2	-177.8	68.4	0	0	0	0	114.6	D304	D304-S306 PolarHBondContact O-N 3.4Å; D304-S306 WeakPolarHBondContact OD1-CB 3.42Å; D304-S306 PolarHBondContact OD1-N 3.01Å; D304-S306 PolarHBondContact OD1-OG 3.1Å; D304-S306 PolarHBondContact OD2-OG 3.5Å
307	S	54	Low	77.9	Confident	59 Å²	59	79.6 Å²	79.6	41%	0.413	47%	0.471	S	S	.	.			trans	-115	116.9	178.6	75.9	0	0	0	0	110.6	D304 V309	D304-S307 WeakPolarHBondContact CB-OG 3.18Å; D304-S307 PolarHBondContact O-N 2.7Å; D304-S307 VanDerWaalsContact O-O 3.07Å; S307-V309 PolarHBondContact O-N 2.94Å
308	S	49.4	Very low	77.9	Confident	130 Å²	130	81.7 Å²	81.7	91%	0.909	49%	0.488	S	S	*	.			trans	-74.1	12.1	176.5	53.8	0	0	0	0	113.5
309	V	57.5	Low	78.1	Confident	110 Å²	110	82.3 Å²	82.3	67%	0.667	50%	0.496	S	S	*	.			trans	-112.1	97.7	-171.3	-175	0	0	0	0	108.6	S307	S307-V309 PolarHBondContact O-N 2.94Å
310	S	70.8	Confident	78.4	Confident	101 Å²	101	81 Å²	81	71%	0.706	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-62.4	145.3	164.7	54.7	0	0	0	0	109.6	P312	S310-P312 WeakPolarHBondContact O-CD 3.26Å
311	V	79.8	Confident	78.7	Confident	47 Å²	47	86.8 Å²	86.8	29%	0.285	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-57.3	125.6	172.4	177.4	0	0	0	0	108.2	L300 K315 W316	L300-V311 HydrophobicContact CD1-CB 4.18Å; L300-V311 HydrophobicContact CD1-CG1 4.39Å; L300-V311 HydrophobicContact CD1-CG2 3.7Å; V311-K315 HydrophobicContact CG1-CB 4.25Å; V311-W316 HydrophobicContact CB-CE3 4.09Å; V311-W316 HydrophobicContact CB-CZ3 4.47Å; V311-W316 HydrophobicContact CG1-CE3 4.32Å
312	P	83.7	Confident	79.1	Confident	64 Å²	64	85.3 Å²	85.3	42%	0.416	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-55.7	140.9	176.2	-28.8	37.6	0	0	0	111.9	S310 D314 K315 W316	S310-P312 WeakPolarHBondContact O-CD 3.26Å; P312-D314 WeakPolarHBondContact CB-OD1 3.37Å; P312-D314 PolarHBondContact O-N 2.88Å; P312-D314 VanDerWaalsContact O-N 3.16Å; P312-K315 PolarHBondContact O-N 3.27Å; P312-W316 PolarHBondContact O-N 3.13Å; P312-W316 VanDerWaalsContact O-N 3.16Å
313	D	84.8	Confident	79.6	Confident	155 Å²	155	83.4 Å²	83.4	83%	0.829	49%	0.494	S	S	*	.	H	α-helix	trans	-55.6	-35.9	-175.7	-71.8	-7.3	0	0	0	112.7	K315 W316	D313-K315 PolarHBondContact O-N 3.15Å; D313-W316 PolarHBondContact O-N 2.84Å
314	D	90.9	Very high	80.8	Confident	132 Å²	132	85 Å²	85	71%	0.706	49%	0.49	S	S	*	.	H	α-helix	trans	-67.4	-20.7	178.5	66.7	-43.7	0	0	0	113.5	P312	P312-D314 WeakPolarHBondContact CB-OD1 3.37Å; P312-D314 PolarHBondContact O-N 2.88Å; P312-D314 VanDerWaalsContact O-N 3.16Å
315	K	91.3	Very high	82.5	Confident	116 Å²	116	81 Å²	81	50%	0.504	47%	0.467	S	S	.	.	H	α-helix	trans	-105.3	-6.7	178.4	-64.6	-175.8	-178.3	179.2	0	113.5	V311 P312 D313 L317 S318 T319	V311-K315 HydrophobicContact CG1-CB 4.25Å; P312-K315 PolarHBondContact O-N 3.27Å; D313-K315 PolarHBondContact O-N 3.15Å; K315-L317 PolarHBondContact O-N 3.42Å; K315-S318 PolarHBondContact O-N 2.87Å; K315-S318 PolarHBondContact O-OG 3.36Å; K315-T319 WeakPolarHBondContact O-CB 2.99Å; K315-T319 PolarHBondContact O-N 3.07Å; K315-T319 PolarHBondContact O-OG1 3.39Å
316	W	92.4	Very high	84.4	Confident	93 Å²	93	82.8 Å²	82.8	35%	0.352	48%	0.477	S	S	.	.	H	α-helix	trans	-55.5	-51.9	-174.2	179.7	-99.9	0	0	0	112.5	L300 V311 P312 D313 S318 T319 L320	L300-W316 HydrophobicContact CD1-CD2 4.26Å; L300-W316 HydrophobicContact CD1-CE3 3.52Å; L300-W316 HydrophobicContact CD1-CH2 3.78Å; L300-W316 HydrophobicContact CD1-CZ2 4.45Å; L300-W316 HydrophobicContact CD1-CZ3 3.25Å; L300-W316 HydrophobicContact CD2-CH2 4.32Å; L300-W316 HydrophobicContact CD2-CZ2 4.3Å; L300-W316 HydrophobicContact CD2-CZ3 4.5Å; L300-W316 HydrophobicContact CG-CE3 4.12Å; L300-W316 HydrophobicContact CG-CH2 3.52Å; L300-W316 HydrophobicContact CG-CZ2 3.98Å; L300-W316 HydrophobicContact CG-CZ3 3.59Å; L300-W316 VanDerWaalsContact O-CH2 3.27Å; L300-W316 WeakPolarHBondContact O-CH2 3.1Å; L300-W316 WeakPolarHBondContact O-CZ3 3.48Å; V311-W316 HydrophobicContact CB-CE3 4.09Å; V311-W316 HydrophobicContact CB-CZ3 4.47Å; V311-W316 HydrophobicContact CG1-CE3 4.32Å; P312-W316 PolarHBondContact O-N 3.13Å; P312-W316 VanDerWaalsContact O-N 3.16Å; D313-W316 PolarHBondContact O-N 2.84Å; W316-S318 PolarHBondContact O-N 3.15Å; W316-T319 PolarHBondContact O-N 2.88Å; W316-T319 VanDerWaalsContact O-N 3.17Å; W316-L320 WeakPolarHBondContact O-CB 3.41Å; W316-L320 PolarHBondContact O-N 3.48Å
317	L	95.3	Very high	86.6	Confident	132 Å²	132	80.3 Å²	80.3	69%	0.691	46%	0.456	S	S	*	.	H	α-helix	trans	-64.1	-41.2	-178.2	-64.6	178.3	0	0	0	112.5	K315 T319 L320 E321	K315-L317 PolarHBondContact O-N 3.42Å; L317-T319 VanDerWaalsContact C-N 3.29Å; L317-T319 PolarHBondContact O-N 3.47Å; L317-L320 WeakPolarHBondContact O-CB 3.39Å; L317-L320 PolarHBondContact O-N 3.35Å; L317-E321 PolarHBondContact O-N 3.28Å
318	S	95.2	Very high	88.7	Confident	69 Å²	69	79.5 Å²	79.5	48%	0.483	44%	0.444	S	S	.	.	H	α-helix	trans	-65.8	-33.8	175.6	66.7	0	0	0	0	112.5	K315 W316 G322	K315-S318 PolarHBondContact O-N 2.87Å; K315-S318 PolarHBondContact O-OG 3.36Å; W316-S318 PolarHBondContact O-N 3.15Å; S318-G322 PolarHBondContact O-N 3.4Å
319	T	94.3	Very high	91	Very high	56 Å²	56	73.5 Å²	73.5	34%	0.344	40%	0.402	S	S	.	.	H	α-helix	trans	-72.8	-38.4	176.7	-50.3	0	0	0	0	110.7	L300 K315 W316 L317 G322 T323	L300-T319 HydrophobicContact CD1-CG2 3.63Å; L300-T319 HydrophobicContact CD2-CG2 4.26Å; L300-T319 HydrophobicContact CG-CG2 4.47Å; K315-T319 WeakPolarHBondContact O-CB 2.99Å; K315-T319 PolarHBondContact O-N 3.07Å; K315-T319 PolarHBondContact O-OG1 3.39Å; W316-T319 PolarHBondContact O-N 2.88Å; W316-T319 VanDerWaalsContact O-N 3.17Å; L317-T319 VanDerWaalsContact C-N 3.29Å; L317-T319 PolarHBondContact O-N 3.47Å; T319-G322 PolarHBondContact O-N 2.81Å; T319-T323 WeakPolarHBondContact O-CG2 3.23Å; T319-T323 PolarHBondContact O-N 3.33Å
320	L	95.7	Very high	93	Very high	35 Å²	35	74.6 Å²	74.6	18%	0.183	39%	0.394	C	S	.	.	H	α-helix	trans	-61.2	-45.3	173	177.6	62.3	0	0	0	111.3	L297 L300 W316 L317 G322 T323 L326	L297-L320 HydrophobicContact CD1-CD1 3.6Å; L300-L320 VanDerWaalsContact CD2-CA 3.48Å; L300-L320 HydrophobicContact CD2-CB 3.86Å; L300-L320 HydrophobicContact CD2-CD1 4.16Å; W316-L320 WeakPolarHBondContact O-CB 3.41Å; W316-L320 PolarHBondContact O-N 3.48Å; L317-L320 WeakPolarHBondContact O-CB 3.39Å; L317-L320 PolarHBondContact O-N 3.35Å; L320-G322 VanDerWaalsContact C-N 3.31Å; L320-G322 PolarHBondContact O-N 2.77Å; L320-T323 WeakPolarHBondContact O-CB 3.43Å; L320-T323 WeakPolarHBondContact O-CG2 3.2Å; L320-T323 PolarHBondContact O-N 3.21Å; L320-T323 VanDerWaalsContact O-N 3.08Å; L320-T323 PolarHBondContact O-OG1 2.97Å; L320-L326 HydrophobicContact CD1-CD1 4.33Å; L320-L326 HydrophobicContact CD2-CD1 3.84Å; L320-L326 HydrophobicContact CG-CD1 4.01Å
321	E	96.8	Very high	94.3	Very high	135 Å²	135	71.2 Å²	71.2	63%	0.631	37%	0.368	S	S	*	.	H	α-helix	trans	-58.5	-43.6	173.6	-174.2	176.5	-167.1	0	0	111.2	L317 T323 H324	L317-E321 PolarHBondContact O-N 3.28Å; E321-T323 PolarHBondContact O-N 2.85Å; E321-H324 PolarHBondContact O-N 3.36Å
322	G	96.8	Very high	95.1	Very high	36 Å²	36	69 Å²	69	37%	0.371	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.9	175.2	0	0	0	0	0	115.7	R296 S318 T319 L320	R296-G322 PolarHBondContact NH1-O 3.16Å; R296-G322 VanDerWaalsContact NH1-O 3.12Å; S318-G322 PolarHBondContact O-N 3.4Å; T319-G322 PolarHBondContact O-N 2.81Å; L320-G322 VanDerWaalsContact C-N 3.31Å; L320-G322 PolarHBondContact O-N 2.77Å
323	T	97.4	Very high	95.8	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.012	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-24	170.7	74.4	0	0	0	0	112.7	A293 R296 L297 L300 T319 L320 E321 W325	A293-T323 WeakPolarHBondContact CA-O 3.41Å; A293-T323 WeakPolarHBondContact CB-O 3.41Å; R296-T323 HydrophobicContact CB-CG2 3.99Å; L297-T323 HydrophobicContact CB-CG2 4.26Å; L300-T323 HydrophobicContact CD2-CG2 4.07Å; T319-T323 WeakPolarHBondContact O-CG2 3.23Å; T319-T323 PolarHBondContact O-N 3.33Å; L320-T323 WeakPolarHBondContact O-CB 3.43Å; L320-T323 WeakPolarHBondContact O-CG2 3.2Å; L320-T323 PolarHBondContact O-N 3.21Å; L320-T323 VanDerWaalsContact O-N 3.08Å; L320-T323 PolarHBondContact O-OG1 2.97Å; E321-T323 PolarHBondContact O-N 2.85Å; T323-W325 PolarHBondContact O-N 3.3Å; T323-W325 VanDerWaalsContact O-N 3.12Å; T323-W325 PolarHBondContact OG1-N 3.19Å
324	H	98.2	Very high	96.5	Very high	78 Å²	78	64.6 Å²	64.6	36%	0.361	32%	0.319	S	S	.	.			trans	59.6	3.3	-170.9	-58.2	-64	0	0	0	116.6	E321 L326 D327 Y328	E321-H324 PolarHBondContact O-N 3.36Å; H324-L326 PolarHBondContact O-N 3.39Å; H324-D327 HydrophobicContact CB-CB 4.48Å; H324-D327 IonicContact ND1-OD2 3.43Å; H324-D327 PolarHBondContact ND1-OD2 3.48Å; H324-D327 WeakPolarHBondContact O-CB 3.49Å; H324-D327 PolarHBondContact O-N 3.37Å; H324-Y328 HydrophobicContact CB-CE1 4.44Å; H324-Y328 HydrophobicContact CB-CE2 4.24Å; H324-Y328 PolarHBondContact O-N 2.93Å
325	W	98.3	Very high	96.8	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-49.3	-178.9	-176.2	-100.9	0	0	0	112.2	I290 A293 H294 L297 T323 D327 Y328 I329 P413 L416 L417 D420	I290-W325 HydrophobicContact CG2-CH2 4.39Å; I290-W325 HydrophobicContact CG2-CZ3 3.78Å; A293-W325 HydrophobicContact CB-CE3 4.23Å; H294-W325 HydrophobicContact CB-CE3 4.09Å; H294-W325 HydrophobicContact CB-CH2 4.49Å; H294-W325 HydrophobicContact CB-CZ3 3.73Å; L297-W325 HydrophobicContact CB-CB 4.46Å; L297-W325 HydrophobicContact CD2-CB 3.99Å; L297-W325 VanDerWaalsContact CD2-CD1 3.49Å; L297-W325 HydrophobicContact CD2-CD2 4Å; L297-W325 HydrophobicContact CD2-CG 3.55Å; T323-W325 PolarHBondContact O-N 3.3Å; T323-W325 VanDerWaalsContact O-N 3.12Å; T323-W325 PolarHBondContact OG1-N 3.19Å; W325-D327 VanDerWaalsContact C-N 3.28Å; W325-D327 PolarHBondContact O-N 2.91Å; W325-Y328 PolarHBondContact O-N 3.41Å; W325-I329 PolarHBondContact O-N 3.3Å; W325-I329 VanDerWaalsContact O-N 3.08Å; W325-P413 HydrophobicContact CH2-CG 4.12Å; W325-P413 HydrophobicContact CZ3-CG 4.06Å; W325-L416 HydrophobicContact CH2-CD2 4.46Å; W325-L416 HydrophobicContact CH2-CG 4.34Å; W325-L416 HydrophobicContact CZ2-CD2 4.47Å; W325-L416 HydrophobicContact CZ2-CG 4.19Å; W325-L417 HydrophobicContact CD2-CD1 4.38Å; W325-L417 HydrophobicContact CE3-CD1 4.39Å; W325-L417 HydrophobicContact CH2-CB 3.79Å; W325-L417 HydrophobicContact CH2-CD1 3.88Å; W325-L417 HydrophobicContact CH2-CG 4.42Å; W325-L417 HydrophobicContact CZ2-CB 4.2Å; W325-L417 HydrophobicContact CZ2-CD1 3.85Å; W325-L417 HydrophobicContact CZ3-CB 4.48Å; W325-L417 HydrophobicContact CZ3-CD1 4.15Å; W325-D420 PolarHBondContact NE1-OD2 3.29Å
326	L	98.2	Very high	97.1	Very high	83 Å²	83	53.2 Å²	53.2	44%	0.435	26%	0.263	S	S	.	.	H	α-helix	trans	-67.3	-28.4	178.3	-62.5	177.5	0	0	0	112.6	L320 H324 I329 R330	L320-L326 HydrophobicContact CD1-CD1 4.33Å; L320-L326 HydrophobicContact CD2-CD1 3.84Å; L320-L326 HydrophobicContact CG-CD1 4.01Å; H324-L326 PolarHBondContact O-N 3.39Å; L326-I329 HydrophobicContact CD2-CD1 4.27Å; L326-R330 WeakPolarHBondContact O-CB 3.43Å; L326-R330 PolarHBondContact O-N 3.15Å
327	D	97.8	Very high	97.4	Very high	49 Å²	49	49 Å²	49	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-65.8	-43	173.3	-84.5	-44.7	0	0	0	111.8	H324 W325 R330 L331	H324-D327 HydrophobicContact CB-CB 4.48Å; H324-D327 IonicContact ND1-OD2 3.43Å; H324-D327 PolarHBondContact ND1-OD2 3.48Å; H324-D327 WeakPolarHBondContact O-CB 3.49Å; H324-D327 PolarHBondContact O-N 3.37Å; W325-D327 VanDerWaalsContact C-N 3.28Å; W325-D327 PolarHBondContact O-N 2.91Å; D327-R330 WeakPolarHBondContact O-CB 3.3Å; D327-R330 PolarHBondContact O-N 2.83Å; D327-R330 IonicContact OD1-CZ 3.57Å; D327-R330 IonicContact OD1-NE 2.65Å; D327-R330 IonicContact OD1-NH2 3.42Å; D327-R330 PolarHBondContact OD1-NH2 3.22Å; D327-L331 VanDerWaalsContact O-CB 3.3Å; D327-L331 WeakPolarHBondContact O-CB 3.36Å; D327-L331 PolarHBondContact O-N 3.14Å
328	Y	98.4	Very high	97.4	Very high	43 Å²	43	45.9 Å²	45.9	17%	0.169	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-41	176.7	-65.8	-22.3	0	0	0	112.1	P285 D289 A293 H324 W325 R330 L331 I332	P285-Y328 HydrophobicContact CB-CD1 3.75Å; P285-Y328 HydrophobicContact CB-CD2 3.96Å; P285-Y328 HydrophobicContact CB-CE1 3.73Å; P285-Y328 HydrophobicContact CB-CE2 3.92Å; P285-Y328 HydrophobicContact CB-CG 3.89Å; P285-Y328 HydrophobicContact CG-CD1 3.79Å; P285-Y328 HydrophobicContact CG-CD2 4.08Å; P285-Y328 HydrophobicContact CG-CE1 4.3Å; P285-Y328 HydrophobicContact CG-CG 3.69Å; D289-Y328 HydrophobicContact CB-CE2 4.08Å; A293-Y328 HydrophobicContact CB-CD2 3.91Å; A293-Y328 HydrophobicContact CB-CE2 3.67Å; H324-Y328 HydrophobicContact CB-CE1 4.44Å; H324-Y328 HydrophobicContact CB-CE2 4.24Å; H324-Y328 PolarHBondContact O-N 2.93Å; W325-Y328 PolarHBondContact O-N 3.41Å; Y328-R330 VanDerWaalsContact C-N 3.35Å; Y328-R330 PolarHBondContact O-N 3.45Å; Y328-L331 PolarHBondContact O-N 3.14Å; Y328-I332 WeakPolarHBondContact O-CB 3.12Å; Y328-I332 WeakPolarHBondContact O-CD1 3.37Å; Y328-I332 VanDerWaalsContact O-CG1 3.28Å; Y328-I332 WeakPolarHBondContact O-CG1 3.28Å; Y328-I332 PolarHBondContact O-N 3.37Å
329	I	98.4	Very high	97.5	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-56.6	-49.9	171.7	-69.5	175.9	0	0	0	110.7	W325 L326 L331 I332 L333 L417 D420	W325-I329 PolarHBondContact O-N 3.3Å; W325-I329 VanDerWaalsContact O-N 3.08Å; L326-I329 HydrophobicContact CD2-CD1 4.27Å; I329-L331 VanDerWaalsContact C-N 3.34Å; I329-L331 PolarHBondContact O-N 3.16Å; I329-I332 PolarHBondContact O-N 3.37Å; I329-L333 HydrophobicContact CG2-CD1 3.76Å; I329-L333 HydrophobicContact CG2-CG 4.4Å; I329-L333 WeakPolarHBondContact O-CB 3.38Å; I329-L333 WeakPolarHBondContact O-CG 3.31Å; I329-L333 PolarHBondContact O-N 3.2Å; I329-L417 HydrophobicContact CG1-CD1 3.69Å; I329-D420 HydrophobicContact CD1-CB 3.97Å; I329-D420 VanDerWaalsContact CD1-CG 3.43Å; I329-D420 WeakPolarHBondContact CD1-OD2 3.31Å
330	R	97.9	Very high	97.6	Very high	132 Å²	132	40 Å²	40	50%	0.498	19%	0.191	S	C	.	.	H	α-helix	trans	-58.1	-46	178.4	176.3	-177.5	60.1	76.3	0.3	111.7	L326 D327 Y328 R334	L326-R330 WeakPolarHBondContact O-CB 3.43Å; L326-R330 PolarHBondContact O-N 3.15Å; D327-R330 WeakPolarHBondContact O-CB 3.3Å; D327-R330 PolarHBondContact O-N 2.83Å; D327-R330 IonicContact OD1-CZ 3.57Å; D327-R330 IonicContact OD1-NE 2.65Å; D327-R330 IonicContact OD1-NH2 3.42Å; D327-R330 PolarHBondContact OD1-NH2 3.22Å; Y328-R330 VanDerWaalsContact C-N 3.35Å; Y328-R330 PolarHBondContact O-N 3.45Å; R330-R334 VanDerWaalsContact O-CB 3.26Å; R330-R334 WeakPolarHBondContact O-CB 3.34Å; R330-R334 PolarHBondContact O-N 2.97Å
331	L	97.9	Very high	97.5	Very high	30 Å²	30	41 Å²	41	16%	0.157	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-45.2	-178.2	179.5	56.1	0	0	0	111.9	E283 L284 D327 Y328 I329 R334 K335	E283-L331 WeakPolarHBondContact O-CD2 3.38Å; L284-L331 HydrophobicContact CD2-CD1 4.41Å; L284-L331 HydrophobicContact CD2-CD2 4.43Å; L284-L331 HydrophobicContact CD2-CG 3.8Å; D327-L331 VanDerWaalsContact O-CB 3.3Å; D327-L331 WeakPolarHBondContact O-CB 3.36Å; D327-L331 PolarHBondContact O-N 3.14Å; Y328-L331 PolarHBondContact O-N 3.14Å; I329-L331 VanDerWaalsContact C-N 3.34Å; I329-L331 PolarHBondContact O-N 3.16Å; L331-R334 PolarHBondContact O-N 3.39Å; L331-K335 PolarHBondContact O-N 3.16Å
332	I	98.4	Very high	97.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.3	-47.8	178.9	-71.6	167.2	0	0	0	111.3	L284 P285 Y328 I329 R334 K335 A336 M360 V363 L367 L417	L284-I332 HydrophobicContact CD2-CG1 4.11Å; P285-I332 HydrophobicContact CG-CD1 4.44Å; Y328-I332 WeakPolarHBondContact O-CB 3.12Å; Y328-I332 WeakPolarHBondContact O-CD1 3.37Å; Y328-I332 VanDerWaalsContact O-CG1 3.28Å; Y328-I332 WeakPolarHBondContact O-CG1 3.28Å; Y328-I332 PolarHBondContact O-N 3.37Å; I329-I332 PolarHBondContact O-N 3.37Å; I332-R334 VanDerWaalsContact C-N 3.27Å; I332-R334 PolarHBondContact O-N 2.93Å; I332-K335 PolarHBondContact O-N 3.2Å; I332-K335 VanDerWaalsContact O-N 3.15Å; I332-A336 PolarHBondContact O-N 2.9Å; I332-M360 HydrophobicContact CD1-CE 4.42Å; I332-M360 HydrophobicContact CD1-SD 4.1Å; I332-M360 HydrophobicContact CG1-SD 4.38Å; I332-V363 HydrophobicContact CD1-CG1 4.45Å; I332-V363 HydrophobicContact CG2-CG1 3.47Å; I332-V363 VanDerWaalsContact CG2-CG1 3.47Å; I332-L367 HydrophobicContact CG2-CD1 3.41Å; I332-L367 VanDerWaalsContact CG2-CD1 3.41Å; I332-L417 HydrophobicContact CD1-CD1 4.43Å; I332-L417 HydrophobicContact CD1-CD2 3.29Å; I332-L417 HydrophobicContact CD1-CG 3.83Å
333	L	98.5	Very high	97.2	Very high	15 Å²	15	35.7 Å²	35.7	8%	0.079	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-37.8	177.2	-74.7	174.2	0	0	0	111.6	I329 S337 L367 M371 C421 H424 L425	I329-L333 HydrophobicContact CG2-CD1 3.76Å; I329-L333 HydrophobicContact CG2-CG 4.4Å; I329-L333 WeakPolarHBondContact O-CB 3.38Å; I329-L333 WeakPolarHBondContact O-CG 3.31Å; I329-L333 PolarHBondContact O-N 3.2Å; L333-S337 WeakPolarHBondContact O-CB 3.39Å; L333-S337 PolarHBondContact O-N 3.38Å; L333-L367 HydrophobicContact CD2-CD1 4.36Å; L333-L367 HydrophobicContact CD2-CD2 4.39Å; L333-M371 HydrophobicContact CD2-CE 3.77Å; L333-C421 HydrophobicContact CD2-CB 3.94Å; L333-C421 HydrophobicContact CG-CB 4.23Å; L333-H424 HydrophobicContact CD1-CB 4.07Å; L333-L425 HydrophobicContact CD2-CD1 4.34Å; L333-L425 HydrophobicContact CD2-CD2 4.03Å; L333-L425 HydrophobicContact CD2-CG 4.02Å
334	R	97.8	Very high	96.8	Very high	112 Å²	112	37.5 Å²	37.5	42%	0.423	17%	0.174	S	C	.	.	H	α-helix	trans	-61.2	-49.1	173.1	-179.7	179.9	66.3	171.7	5.8	111	R330 L331 I332 S337 E338	R330-R334 VanDerWaalsContact O-CB 3.26Å; R330-R334 WeakPolarHBondContact O-CB 3.34Å; R330-R334 PolarHBondContact O-N 2.97Å; L331-R334 PolarHBondContact O-N 3.39Å; I332-R334 VanDerWaalsContact C-N 3.27Å; I332-R334 PolarHBondContact O-N 2.93Å; R334-S337 WeakPolarHBondContact O-CB 3.47Å; R334-S337 PolarHBondContact O-N 2.97Å; R334-E338 WeakPolarHBondContact CG-OE1 3.35Å; R334-E338 WeakPolarHBondContact O-CG 3.48Å; R334-E338 PolarHBondContact O-N 2.97Å
335	K	98.1	Very high	96.1	Very high	10 Å²	10	38 Å²	38	4%	0.043	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-44.6	179.6	-174.8	57.3	61.4	-170.9	0	112.2	V278 L280 E283 L284 L331 I332 S337 E338 V339 V364	V278-K335 HydrophobicContact CG1-CD 4.08Å; L280-K335 HydrophobicContact CD2-CD 4.48Å; L280-K335 HydrophobicContact CD2-CG 4.1Å; E283-K335 IonicContact OE1-NZ 3.06Å; E283-K335 PolarHBondContact OE1-NZ 2.71Å; E283-K335 WeakPolarHBondContact OE2-CE 3.39Å; E283-K335 IonicContact OE2-NZ 3.12Å; E283-K335 PolarHBondContact OE2-NZ 2.74Å; L284-K335 HydrophobicContact CD1-CG 4.27Å; L284-K335 HydrophobicContact CD2-CB 4Å; L284-K335 HydrophobicContact CD2-CG 4.3Å; L331-K335 PolarHBondContact O-N 3.16Å; I332-K335 PolarHBondContact O-N 3.2Å; I332-K335 VanDerWaalsContact O-N 3.15Å; K335-S337 VanDerWaalsContact C-N 3.3Å; K335-S337 PolarHBondContact O-N 3.45Å; K335-E338 WeakPolarHBondContact CE-OE2 3.39Å; K335-E338 IonicContact NZ-OE2 3.64Å; K335-E338 PolarHBondContact NZ-OE2 3.1Å; K335-E338 WeakPolarHBondContact O-CB 3.26Å; K335-E338 PolarHBondContact O-N 3.25Å; K335-E338 VanDerWaalsContact O-N 3.16Å; K335-V339 WeakPolarHBondContact O-CG2 3.44Å; K335-V339 PolarHBondContact O-N 3.29Å; K335-V364 HydrophobicContact CG-CG2 4.43Å
336	A	98.4	Very high	95.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-38.2	174.8	0	0	0	0	0	112.2	I332 S340 L367 V368 M371	I332-A336 PolarHBondContact O-N 2.9Å; A336-S340 WeakPolarHBondContact O-CB 3.45Å; A336-S340 PolarHBondContact O-N 2.96Å; A336-S340 PolarHBondContact O-OG 2.87Å; A336-L367 HydrophobicContact CB-CB 3.66Å; A336-L367 HydrophobicContact CB-CD1 4.29Å; A336-V368 HydrophobicContact CB-CG2 4.25Å; A336-V368 WeakPolarHBondContact O-CG2 3.29Å; A336-M371 HydrophobicContact CB-CE 3.81Å; A336-M371 HydrophobicContact CB-SD 4.09Å
337	S	97.2	Very high	94.1	Very high	5 Å²	5	41.6 Å²	41.6	4%	0.035	21%	0.205	C	C	.	.	H	α-helix	trans	-66.6	-38.3	173.9	-173.1	0	0	0	0	112.6	L333 R334 K335 S340 C341 R559 T563	L333-S337 WeakPolarHBondContact O-CB 3.39Å; L333-S337 PolarHBondContact O-N 3.38Å; R334-S337 WeakPolarHBondContact O-CB 3.47Å; R334-S337 PolarHBondContact O-N 2.97Å; K335-S337 VanDerWaalsContact C-N 3.3Å; K335-S337 PolarHBondContact O-N 3.45Å; S337-S340 PolarHBondContact O-N 2.95Å; S337-C341 PolarHBondContact O-N 3Å; S337-C341 PolarHBondContact O-SG 3.23Å; S337-R559 PolarHBondContact OG-O 2.73Å; S337-T563 PolarHBondContact OG-OG1 2.83Å
338	E	96.3	Very high	93.6	Very high	66 Å²	66	40.3 Å²	40.3	31%	0.308	20%	0.198	S	C	.	.	H	α-helix	trans	-62.4	-47.8	175.2	-73.2	166.9	-170.2	0	0	111.2	R334 K335 S340 C341 L342	R334-E338 WeakPolarHBondContact CG-OE1 3.35Å; R334-E338 WeakPolarHBondContact O-CG 3.48Å; R334-E338 PolarHBondContact O-N 2.97Å; K335-E338 WeakPolarHBondContact CE-OE2 3.39Å; K335-E338 IonicContact NZ-OE2 3.64Å; K335-E338 PolarHBondContact NZ-OE2 3.1Å; K335-E338 WeakPolarHBondContact O-CB 3.26Å; K335-E338 PolarHBondContact O-N 3.25Å; K335-E338 VanDerWaalsContact O-N 3.16Å; E338-S340 VanDerWaalsContact C-N 3.32Å; E338-S340 PolarHBondContact O-N 3.19Å; E338-C341 WeakPolarHBondContact O-CB 3.39Å; E338-C341 PolarHBondContact O-N 3.06Å; E338-C341 VanDerWaalsContact O-N 3.15Å; E338-L342 PolarHBondContact O-N 2.9Å
339	V	96.9	Very high	93.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-42.5	175.7	173.9	0	0	0	0	111.1	L243 V278 K335 C341 L342 L343 V350 L352 V364 V368	L243-V339 HydrophobicContact CD1-CG1 4.01Å; V278-V339 HydrophobicContact CG1-CG2 4.18Å; V278-V339 HydrophobicContact CG2-CG2 4.42Å; K335-V339 WeakPolarHBondContact O-CG2 3.44Å; K335-V339 PolarHBondContact O-N 3.29Å; V339-C341 VanDerWaalsContact C-N 3.3Å; V339-C341 PolarHBondContact O-N 3.03Å; V339-L342 WeakPolarHBondContact O-CB 3.46Å; V339-L342 PolarHBondContact O-N 2.6Å; V339-L343 HydrophobicContact CG1-CD1 4.17Å; V339-L343 WeakPolarHBondContact O-CG 3.37Å; V339-L343 PolarHBondContact O-N 3.33Å; V339-V350 HydrophobicContact CG1-CG1 4.09Å; V339-L352 HydrophobicContact CG1-CD2 4.23Å; V339-L352 HydrophobicContact CG2-CD2 3.92Å; V339-V364 HydrophobicContact CG2-CG1 4.12Å; V339-V368 HydrophobicContact CB-CG2 3.75Å; V339-V368 HydrophobicContact CG1-CG1 4.34Å; V339-V368 HydrophobicContact CG1-CG2 3.56Å
340	S	96.4	Very high	93	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.4	-39.7	175.7	-59.3	0	0	0	0	112	A336 S337 E338 L343 R344	A336-S340 WeakPolarHBondContact O-CB 3.45Å; A336-S340 PolarHBondContact O-N 2.96Å; A336-S340 PolarHBondContact O-OG 2.87Å; S337-S340 PolarHBondContact O-N 2.95Å; E338-S340 VanDerWaalsContact C-N 3.32Å; E338-S340 PolarHBondContact O-N 3.19Å; S340-L343 PolarHBondContact O-N 3.37Å; S340-R344 WeakPolarHBondContact O-CB 3.36Å; S340-R344 PolarHBondContact O-N 2.88Å
341	C	94.4	Very high	92.9	Very high	57 Å²	57	31.9 Å²	31.9	39%	0.385	17%	0.165	S	C	.	.	H	α-helix	trans	-65.7	-40.9	174.7	-74.1	0	0	0	0	112.5	S337 E338 V339 R344 S345	S337-C341 PolarHBondContact O-N 3Å; S337-C341 PolarHBondContact O-SG 3.23Å; E338-C341 WeakPolarHBondContact O-CB 3.39Å; E338-C341 PolarHBondContact O-N 3.06Å; E338-C341 VanDerWaalsContact O-N 3.15Å; V339-C341 VanDerWaalsContact C-N 3.3Å; V339-C341 PolarHBondContact O-N 3.03Å; C341-R344 PolarHBondContact O-N 3.21Å; C341-S345 PolarHBondContact O-N 2.9Å; C341-S345 PolarHBondContact O-OG 2.81Å
342	L	93.1	Very high	92.8	Very high	59 Å²	59	30.4 Å²	30.4	31%	0.309	16%	0.158	S	C	.	.	H	α-helix	trans	-59.5	-48.5	174.9	-69.7	174.1	0	0	0	111	V276 V278 E338 V339 R344 S345 L348 V350	V276-L342 HydrophobicContact CG1-CD1 4.22Å; V278-L342 HydrophobicContact CG2-CD1 4.11Å; E338-L342 PolarHBondContact O-N 2.9Å; V339-L342 WeakPolarHBondContact O-CB 3.46Å; V339-L342 PolarHBondContact O-N 2.6Å; L342-R344 VanDerWaalsContact C-N 3.31Å; L342-R344 PolarHBondContact O-N 3.3Å; L342-S345 WeakPolarHBondContact O-CB 3.39Å; L342-S345 PolarHBondContact O-N 3.15Å; L342-S345 PolarHBondContact O-OG 3.41Å; L342-L348 HydrophobicContact CB-CD2 4.23Å; L342-V350 HydrophobicContact CB-CG2 3.86Å; L342-V350 HydrophobicContact CD1-CG1 4.49Å
343	L	92.6	Very high	92.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-37.2	178.4	-68.7	170	0	0	0	112.2	W235 H237 S241 D242 L243 V339 S340 S345 G346 V350 V368	W235-L343 HydrophobicContact CE3-CD1 4.49Å; W235-L343 HydrophobicContact CZ3-CD1 4.22Å; H237-L343 HydrophobicContact CB-CB 4.21Å; S241-L343 WeakPolarHBondContact CB-O 3.07Å; S241-L343 PolarHBondContact OG-O 3.01Å; D242-L343 WeakPolarHBondContact O-CD2 3.16Å; L243-L343 HydrophobicContact CB-CD1 4.16Å; L243-L343 HydrophobicContact CB-CD2 4.31Å; L243-L343 HydrophobicContact CD1-CD1 4.35Å; V339-L343 HydrophobicContact CG1-CD1 4.17Å; V339-L343 WeakPolarHBondContact O-CG 3.37Å; V339-L343 PolarHBondContact O-N 3.33Å; S340-L343 PolarHBondContact O-N 3.37Å; L343-S345 PolarHBondContact O-N 3.27Å; L343-G346 PolarHBondContact O-N 3.48Å; L343-V350 HydrophobicContact CD2-CB 3.97Å; L343-V350 HydrophobicContact CD2-CG2 3.73Å; L343-V350 HydrophobicContact CG-CB 4.46Å; L343-V350 HydrophobicContact CG-CG2 4.08Å; L343-V368 HydrophobicContact CD1-CG1 3.49Å; L343-V368 VanDerWaalsContact CD1-CG1 3.49Å
344	R	90.4	Very high	92.5	Very high	39 Å²	39	31.3 Å²	31.3	15%	0.147	16%	0.162	C	C	.	.	H	α-helix	trans	-61.7	-26.2	178.2	-176.1	-176.9	-64.1	-169.1	-0	113	R239 S340 C341 L342 G346 V562 T563	R239-R344 VanDerWaalsContact CD-O 3.27Å; R239-R344 WeakPolarHBondContact CD-O 3.5Å; R239-R344 VanDerWaalsContact CZ-O 3.28Å; R239-R344 PolarHBondContact NE-O 3.36Å; R239-R344 PolarHBondContact NH1-O 3.19Å; S340-R344 WeakPolarHBondContact O-CB 3.36Å; S340-R344 PolarHBondContact O-N 2.88Å; C341-R344 PolarHBondContact O-N 3.21Å; L342-R344 VanDerWaalsContact C-N 3.31Å; L342-R344 PolarHBondContact O-N 3.3Å; R344-G346 PolarHBondContact O-N 3.44Å; R344-G346 VanDerWaalsContact O-N 3.17Å; R344-V562 PolarHBondContact NH1-O 2.77Å; R344-V562 PolarHBondContact NH2-O 3.15Å; R344-T563 VanDerWaalsContact NH2-CA 3.33Å; R344-T563 PolarHBondContact NH2-O 2.71Å
345	S	83	Confident	92.2	Very high	90 Å²	90	30.2 Å²	30.2	63%	0.629	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.3	179.5	-58.6	0	0	0	0	113.1	C341 L342 L343	C341-S345 PolarHBondContact O-N 2.9Å; C341-S345 PolarHBondContact O-OG 2.81Å; L342-S345 WeakPolarHBondContact O-CB 3.39Å; L342-S345 PolarHBondContact O-N 3.15Å; L342-S345 PolarHBondContact O-OG 3.41Å; L343-S345 PolarHBondContact O-N 3.27Å
346	G	77.4	Confident	92	Very high	14 Å²	14	32 Å²	32	14%	0.144	18%	0.176	C	C	.	.	S	Bend	trans	85.1	152.8	-178.1	0	0	0	0	0	112.9	S241 L343 R344 L348	S241-G346 VanDerWaalsContact OG-C 3.25Å; S241-G346 WeakPolarHBondContact OG-CA 3.45Å; S241-G346 PolarHBondContact OG-N 3.34Å; L343-G346 PolarHBondContact O-N 3.48Å; R344-G346 PolarHBondContact O-N 3.44Å; R344-G346 VanDerWaalsContact O-N 3.17Å; G346-L348 PolarHBondContact O-N 2.85Å; G346-L348 VanDerWaalsContact O-N 3.13Å
347	H	76.1	Confident	91.9	Very high	148 Å²	148	32 Å²	32	69%	0.685	18%	0.176	S	C	*	.	S	Bend	trans	56.4	25.6	173.9	-51.2	-68	0	0	0	116.2	S241 S272	S241-H347 PolarHBondContact OG-N 2.77Å; S272-H347 WeakPolarHBondContact CB-O 3.38Å; S272-H347 PolarHBondContact OG-O 3.06Å
348	L	87.3	Confident	91.8	Very high	22 Å²	22	32.4 Å²	32.4	12%	0.115	18%	0.176	C	C	.	.			trans	-118.4	141.2	179.1	-170.9	74.6	0	0	0	110.1	S241 D242 L274 V276 L342 G346 V350	S241-L348 CarbonylContact C-O 3.57Å; S241-L348 WeakPolarHBondContact CA-O 3.16Å; S241-L348 WeakPolarHBondContact CB-O 3.44Å; S241-L348 PolarHBondContact OG-N 3.47Å; D242-L348 PolarHBondContact N-O 3.44Å; L274-L348 HydrophobicContact CB-CD1 3.61Å; V276-L348 HydrophobicContact CB-CD2 4.33Å; V276-L348 HydrophobicContact CG2-CD1 4Å; V276-L348 HydrophobicContact CG2-CD2 3.96Å; V276-L348 HydrophobicContact CG2-CG 4.4Å; L342-L348 HydrophobicContact CB-CD2 4.23Å; G346-L348 PolarHBondContact O-N 2.85Å; G346-L348 VanDerWaalsContact O-N 3.13Å; L348-V350 HydrophobicContact CD2-CG2 3.78Å; L348-V350 HydrophobicContact CG-CG2 4.3Å
349	T	90.6	Very high	91.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.3	163.4	-59.6	0	0	0	0	108.7	D242 L244 L274 C275 V276	D242-T349 HydrophobicContact CB-CG2 4.47Å; D242-T349 CarbonylContact O-C 3.27Å; D242-T349 WeakPolarHBondContact O-CA 3.44Å; L244-T349 HydrophobicContact CD1-CG2 3.44Å; L244-T349 VanDerWaalsContact CD1-CG2 3.44Å; L244-T349 HydrophobicContact CD2-CG2 4.29Å; L244-T349 HydrophobicContact CG-CG2 3.56Å; L274-T349 PolarHBondContact O-N 2.67Å; C275-T349 CarbonylContact C-O 3.42Å; C275-T349 VanDerWaalsContact CA-O 3.23Å; C275-T349 WeakPolarHBondContact CA-O 3.32Å; V276-T349 PolarHBondContact N-O 2.83Å
350	V	94.5	Very high	91.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.7	173.1	-177.1	0	0	0	0	108.3	D242 L243 L244 V276 V278 V339 L342 L343 L348	D242-V350 PolarHBondContact O-N 3.11Å; L243-V350 CarbonylContact C-O 3.53Å; L243-V350 WeakPolarHBondContact CA-O 2.87Å; L243-V350 HydrophobicContact CD1-CB 4.39Å; L243-V350 HydrophobicContact CD1-CG1 4.45Å; L244-V350 PolarHBondContact N-O 2.92Å; V276-V350 CarbonylContact O-C 3.49Å; V276-V350 WeakPolarHBondContact O-CA 3.28Å; V278-V350 HydrophobicContact CG2-CG1 3.68Å; V339-V350 HydrophobicContact CG1-CG1 4.09Å; L342-V350 HydrophobicContact CB-CG2 3.86Å; L342-V350 HydrophobicContact CD1-CG1 4.49Å; L343-V350 HydrophobicContact CD2-CB 3.97Å; L343-V350 HydrophobicContact CD2-CG2 3.73Å; L343-V350 HydrophobicContact CG-CB 4.46Å; L343-V350 HydrophobicContact CG-CG2 4.08Å; L348-V350 HydrophobicContact CD2-CG2 3.78Å; L348-V350 HydrophobicContact CG-CG2 4.3Å
351	A	94.9	Very high	91.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.5	178.7	0	0	0	0	0	110.2	L244 M246 L267 V276 V277 V278	L244-A351 HydrophobicContact CB-CB 4.13Å; M246-A351 HydrophobicContact CE-CB 3.95Å; M246-A351 HydrophobicContact SD-CB 4.37Å; L267-A351 HydrophobicContact CD2-CB 4.44Å; V276-A351 PolarHBondContact O-N 3.38Å; V277-A351 CarbonylContact C-O 3.54Å; V277-A351 WeakPolarHBondContact CA-O 3.48Å; V277-A351 HydrophobicContact CG2-CB 4.49Å; V278-A351 PolarHBondContact N-O 3.34Å
352	L	97	Very high	92.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	127	172.5	-56.6	-177.8	0	0	0	109.4	L243 L244 R245 M246 V278 L280 V339 V364	L243-L352 HydrophobicContact CD1-CD1 4.1Å; L243-L352 HydrophobicContact CD1-CD2 4.3Å; L243-L352 HydrophobicContact CD1-CG 3.88Å; L244-L352 PolarHBondContact O-N 3.43Å; R245-L352 CarbonylContact C-O 3.51Å; R245-L352 WeakPolarHBondContact CA-O 3.1Å; R245-L352 HydrophobicContact CG-CB 4.23Å; R245-L352 HydrophobicContact CG-CD1 4.23Å; M246-L352 PolarHBondContact N-O 2.97Å; V278-L352 HydrophobicContact CB-CD2 4.06Å; V278-L352 HydrophobicContact CG1-CD2 4.36Å; L280-L352 HydrophobicContact CD1-CB 4.23Å; V339-L352 HydrophobicContact CG1-CD2 4.23Å; V339-L352 HydrophobicContact CG2-CD2 3.92Å; L352-V364 HydrophobicContact CD1-CB 4.03Å; L352-V364 HydrophobicContact CD1-CG1 3.82Å; L352-V364 HydrophobicContact CD2-CG1 4.08Å
353	Q	95.3	Very high	92.3	Very high	15 Å²	15	24.1 Å²	24.1	7%	0.07	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.8	178.6	-173.2	160	43	0	0	111.2	M246 S247 V277 V278 E279 L280	M246-Q353 HydrophobicContact CE-CB 3.96Å; M246-Q353 HydrophobicContact CE-CG 4.27Å; M246-Q353 HydrophobicContact CG-CB 4.19Å; M246-Q353 HydrophobicContact CG-CG 4.3Å; M246-Q353 WeakPolarHBondContact O-CA 3.26Å; S247-Q353 PolarHBondContact O-NE2 3.39Å; V277-Q353 HydrophobicContact CG1-CB 3.85Å; V278-Q353 PolarHBondContact O-N 3.07Å; E279-Q353 PolarHBondContact OE1-OE1 2.88Å; E279-Q353 WeakPolarHBondContact OE2-CG 3.28Å; L280-Q353 WeakPolarHBondContact CB-O 3.41Å; L280-Q353 PolarHBondContact N-O 3.23Å
354	E	94.6	Very high	92.6	Very high	19 Å²	19	24.1 Å²	24.1	9%	0.089	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.5	174	172.8	-179.8	-142.5	0	0	107.4	M246 S247 S248 E356 D357 R358 D359 M360 S361	M246-E354 PolarHBondContact O-N 3.28Å; S247-E354 CarbonylContact C-O 3.55Å; S247-E354 WeakPolarHBondContact CA-O 3.45Å; S248-E354 PolarHBondContact N-O 3.32Å; E354-E356 VanDerWaalsContact C-N 3.3Å; E354-E356 PolarHBondContact O-N 3.17Å; E354-D357 HydrophobicContact CB-CB 4.36Å; E354-D357 PolarHBondContact O-N 3.45Å; E354-D357 VanDerWaalsContact OE2-CA 3.27Å; E354-D357 WeakPolarHBondContact OE2-CA 3.44Å; E354-R358 PolarHBondContact OE2-N 3.02Å; E354-R358 VanDerWaalsContact OE2-N 3.17Å; E354-D359 PolarHBondContact OE2-N 3.29Å; E354-D359 VanDerWaalsContact OE2-N 3.08Å; E354-M360 VanDerWaalsContact CD-N 3.34Å; E354-M360 WeakPolarHBondContact OE1-CB 3.27Å; E354-M360 PolarHBondContact OE1-N 2.79Å; E354-M360 PolarHBondContact OE2-N 3.1Å; E354-M360 VanDerWaalsContact OE2-N 3.13Å; E354-S361 WeakPolarHBondContact CB-OG 3.42Å; E354-S361 PolarHBondContact OE2-N 3.22Å; E354-S361 VanDerWaalsContact OE2-N 3.1Å
355	V	92.8	Very high	93	Very high	88 Å²	88	22.2 Å²	22.2	53%	0.533	12%	0.123	S	C	.	.	S	Bend	trans	-49.9	-49	-175.8	178.2	0	0	0	0	112.8	N226 S247 S248	N226-V355 VanDerWaalsContact CB-O 3.3Å; N226-V355 WeakPolarHBondContact CB-O 3.39Å; N226-V355 PolarHBondContact ND2-O 3.13Å; S247-V355 WeakPolarHBondContact CB-O 3.47Å; S248-V355 PolarHBondContact N-O 3.24Å; S248-V355 PolarHBondContact OG-O 3.08Å
356	E	92.9	Very high	93.8	Very high	48 Å²	48	18 Å²	18	22%	0.224	9%	0.093	C	C	.	.	S	Bend	trans	-108.8	-17.3	175.8	-69.2	176.8	-146.9	0	0	112.8	N226 R229 E354 R358 R396	N226-E356 WeakPolarHBondContact ND2-CG 3.42Å; R229-E356 WeakPolarHBondContact CD-O 3.46Å; R229-E356 PolarHBondContact NE-O 3.33Å; E354-E356 VanDerWaalsContact C-N 3.3Å; E354-E356 PolarHBondContact O-N 3.17Å; E356-R358 VanDerWaalsContact C-N 3.33Å; E356-R358 HydrophobicContact CB-CG 4.19Å; E356-R358 WeakPolarHBondContact O-CG 3.49Å; E356-R358 PolarHBondContact O-N 2.77Å; E356-R396 VanDerWaalsContact CD-NH2 3.3Å; E356-R396 IonicContact OE1-CZ 3.87Å; E356-R396 IonicContact OE1-NH1 2.68Å; E356-R396 IonicContact OE1-NH2 3.97Å; E356-R396 PolarHBondContact OE1-NH2 2.95Å; E356-R396 IonicContact OE2-CZ 3.5Å; E356-R396 IonicContact OE2-NE 3.22Å; E356-R396 IonicContact OE2-NH1 3.24Å; E356-R396 PolarHBondContact OE2-NH1 2.94Å; E356-R396 IonicContact OE2-NH2 3.55Å; E356-R396 PolarHBondContact OE2-NH2 3.21Å
357	D	95.8	Very high	94.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	56.3	46.7	-176	156.4	69.4	0	0	0	113	R229 R232 R245 M246 E354 S361	R229-D357 IonicContact CZ-OD2 3.5Å; R229-D357 IonicContact NE-OD2 2.78Å; R229-D357 PolarHBondContact NE-OD2 3.33Å; R229-D357 PolarHBondContact NH2-O 3.18Å; R229-D357 IonicContact NH2-OD2 3.25Å; R229-D357 PolarHBondContact NH2-OD2 3.03Å; R229-D357 VanDerWaalsContact NH2-OD2 3.12Å; R232-D357 IonicContact CZ-OD1 2.88Å; R232-D357 IonicContact CZ-OD2 3.54Å; R232-D357 IonicContact NH1-OD1 3.6Å; R232-D357 PolarHBondContact NH1-OD1 2.88Å; R232-D357 IonicContact NH1-OD2 2.94Å; R232-D357 PolarHBondContact NH1-OD2 2.85Å; R232-D357 IonicContact NH2-OD1 3.61Å; R232-D357 IonicContact NH2-OD2 2.68Å; R232-D357 PolarHBondContact NH2-OD2 2.93Å; R245-D357 WeakPolarHBondContact CB-OD1 3.43Å; R245-D357 IonicContact CZ-OD1 3.49Å; R245-D357 IonicContact NE-OD1 2.72Å; R245-D357 PolarHBondContact NE-OD1 3.19Å; R245-D357 PolarHBondContact NH2-O 3.39Å; R245-D357 IonicContact NH2-OD1 3.48Å; R245-D357 PolarHBondContact NH2-OD1 3.15Å; M246-D357 VanDerWaalsContact O-CB 3.25Å; M246-D357 WeakPolarHBondContact O-CB 3.37Å; E354-D357 HydrophobicContact CB-CB 4.36Å; E354-D357 PolarHBondContact O-N 3.45Å; E354-D357 VanDerWaalsContact OE2-CA 3.27Å; E354-D357 WeakPolarHBondContact OE2-CA 3.44Å; D357-S361 WeakPolarHBondContact OD1-CB 3.41Å; D357-S361 PolarHBondContact OD1-OG 2.93Å
358	R	95.6	Very high	95.8	Very high	14 Å²	14	10.2 Å²	10.2	5%	0.053	5%	0.054	C	C	.	.	S	Bend	trans	-128.2	-8.1	-178.8	-60.4	-177.5	76.9	177.3	-1.5	112.9	S202 E227 E354 E356 C362 G394 H395 N458	S202-R358 VanDerWaalsContact CB-NH1 3.31Å; E227-R358 IonicContact OE1-NH1 3.94Å; E227-R358 WeakPolarHBondContact OE2-CD 3.27Å; E227-R358 IonicContact OE2-CZ 3.04Å; E227-R358 IonicContact OE2-NE 3.28Å; E227-R358 IonicContact OE2-NH1 2.82Å; E227-R358 PolarHBondContact OE2-NH1 2.55Å; E354-R358 PolarHBondContact OE2-N 3.02Å; E354-R358 VanDerWaalsContact OE2-N 3.17Å; E356-R358 VanDerWaalsContact C-N 3.33Å; E356-R358 HydrophobicContact CB-CG 4.19Å; E356-R358 WeakPolarHBondContact O-CG 3.49Å; E356-R358 PolarHBondContact O-N 2.77Å; R358-C362 PolarHBondContact O-SG 2.69Å; R358-C362 VanDerWaalsContact O-SG 3.32Å; R358-G394 PolarHBondContact NE-O 3.12Å; R358-G394 PolarHBondContact NH2-O 2.77Å; R358-H395 PolarHBondContact O-ND1 2.88Å; R358-N458 PolarHBondContact NH2-O 3.31Å
359	D	96.7	Very high	96.4	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.021	5%	0.048	C	C	.	.	S	Bend	trans	-124.8	-87.2	-176.7	-64.4	-65.6	0	0	0	109.8	P287 E354 S361 C362 V363 H395 R396 R400 V414	P287-D359 HydrophobicContact CG-CB 4.32Å; E354-D359 PolarHBondContact OE2-N 3.29Å; E354-D359 VanDerWaalsContact OE2-N 3.08Å; D359-S361 VanDerWaalsContact C-N 3.3Å; D359-S361 PolarHBondContact O-N 2.72Å; D359-C362 VanDerWaalsContact O-CB 3.27Å; D359-C362 WeakPolarHBondContact O-CB 3.45Å; D359-C362 PolarHBondContact O-N 2.77Å; D359-V363 PolarHBondContact O-N 3.44Å; D359-H395 IonicContact OD1-CE1 2.81Å; D359-H395 PolarHBondContact OD1-CE1 3.37Å; D359-H395 IonicContact OD1-ND1 3.39Å; D359-R396 IonicContact OD2-NH2 3.72Å; D359-R400 IonicContact OD1-CZ 3.52Å; D359-R400 IonicContact OD1-NE 3.38Å; D359-R400 PolarHBondContact OD1-NE 3.38Å; D359-R400 IonicContact OD1-NH2 3.52Å; D359-R400 IonicContact OD2-CZ 3.82Å; D359-R400 IonicContact OD2-NE 3.07Å; D359-R400 IonicContact OD2-NH2 2.83Å; D359-R400 PolarHBondContact OD2-NH2 3.23Å; D359-V414 HydrophobicContact CB-CG1 4.19Å; D359-V414 HydrophobicContact CB-CG2 4.46Å
360	M	97.5	Very high	96.8	Very high	4 Å²	4	9.1 Å²	9.1	2%	0.02	5%	0.048	C	C	.	.	H	α-helix	trans	-63.8	-33.2	-175.2	-75	-61.2	134.5	0	0	113.5	L280 L284 P285 I290 I332 E354 C362 V363 V364 V414 L417	L280-M360 HydrophobicContact CB-CB 4.25Å; L280-M360 HydrophobicContact CD1-CB 4.14Å; L284-M360 HydrophobicContact CB-CG 3.99Å; L284-M360 HydrophobicContact CB-SD 4.02Å; L284-M360 HydrophobicContact CD1-CB 4.11Å; L284-M360 HydrophobicContact CD1-CG 4.16Å; L284-M360 HydrophobicContact CD1-SD 3.95Å; P285-M360 HydrophobicContact CG-CE 4.4Å; I290-M360 HydrophobicContact CD1-CE 3.16Å; I290-M360 HydrophobicContact CG1-CE 4.39Å; I332-M360 HydrophobicContact CD1-CE 4.42Å; I332-M360 HydrophobicContact CD1-SD 4.1Å; I332-M360 HydrophobicContact CG1-SD 4.38Å; E354-M360 VanDerWaalsContact CD-N 3.34Å; E354-M360 WeakPolarHBondContact OE1-CB 3.27Å; E354-M360 PolarHBondContact OE1-N 2.79Å; E354-M360 PolarHBondContact OE2-N 3.1Å; E354-M360 VanDerWaalsContact OE2-N 3.13Å; M360-C362 PolarHBondContact O-N 2.84Å; M360-V363 PolarHBondContact O-N 3.41Å; M360-V363 VanDerWaalsContact O-N 3.15Å; M360-V363 HydrophobicContact SD-CG2 4.41Å; M360-V364 WeakPolarHBondContact O-CG2 3.37Å; M360-V364 PolarHBondContact O-N 3.18Å; M360-V414 HydrophobicContact CE-CG1 4.39Å; M360-L417 HydrophobicContact CE-CD2 4.37Å
361	S	97.1	Very high	96.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.1	-35.7	174.5	-69.7	0	0	0	0	112	E354 D357 D359 S365	E354-S361 WeakPolarHBondContact CB-OG 3.42Å; E354-S361 PolarHBondContact OE2-N 3.22Å; E354-S361 VanDerWaalsContact OE2-N 3.1Å; D357-S361 WeakPolarHBondContact OD1-CB 3.41Å; D357-S361 PolarHBondContact OD1-OG 2.93Å; D359-S361 VanDerWaalsContact C-N 3.3Å; D359-S361 PolarHBondContact O-N 2.72Å; S361-S365 WeakPolarHBondContact O-CB 3.13Å; S361-S365 PolarHBondContact O-N 2.97Å; S361-S365 PolarHBondContact O-OG 3.31Å
362	C	98.2	Very high	97	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.2	-44	174.1	-55.9	0	0	0	0	111.2	R245 R358 D359 M360 S365 S366 E389 W390	R245-C362 PolarHBondContact NH2-SG 3.39Å; R358-C362 PolarHBondContact O-SG 2.69Å; R358-C362 VanDerWaalsContact O-SG 3.32Å; D359-C362 VanDerWaalsContact O-CB 3.27Å; D359-C362 WeakPolarHBondContact O-CB 3.45Å; D359-C362 PolarHBondContact O-N 2.77Å; M360-C362 PolarHBondContact O-N 2.84Å; C362-S365 PolarHBondContact O-OG 3.26Å; C362-S366 WeakPolarHBondContact O-CB 3.29Å; C362-S366 PolarHBondContact O-N 3.34Å; C362-S366 VanDerWaalsContact O-N 3.09Å; C362-S366 PolarHBondContact O-OG 3.44Å; C362-E389 PolarHBondContact SG-O 3.13Å; C362-E389 VanDerWaalsContact SG-O 3.34Å; C362-W390 HydrophobicContact CB-CD2 3.85Å; C362-W390 HydrophobicContact CB-CE3 3.94Å; C362-W390 HydrophobicContact CB-CG 4.47Å; C362-W390 HydrophobicContact CB-CH2 4.05Å; C362-W390 HydrophobicContact CB-CZ2 3.92Å; C362-W390 HydrophobicContact CB-CZ3 4.04Å
363	V	98.7	Very high	96.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.8	-54.2	-179.1	-179.6	0	0	0	0	110.3	I332 D359 M360 S366 L367 W390 V414 F418	I332-V363 HydrophobicContact CD1-CG1 4.45Å; I332-V363 HydrophobicContact CG2-CG1 3.47Å; I332-V363 VanDerWaalsContact CG2-CG1 3.47Å; D359-V363 PolarHBondContact O-N 3.44Å; M360-V363 PolarHBondContact O-N 3.41Å; M360-V363 VanDerWaalsContact O-N 3.15Å; M360-V363 HydrophobicContact SD-CG2 4.41Å; V363-S366 PolarHBondContact O-N 3.49Å; V363-L367 HydrophobicContact CG1-CD1 3.81Å; V363-L367 WeakPolarHBondContact O-CB 3.42Å; V363-L367 VanDerWaalsContact O-CG 3.28Å; V363-L367 WeakPolarHBondContact O-CG 3.39Å; V363-L367 PolarHBondContact O-N 2.91Å; V363-W390 HydrophobicContact CG2-CH2 3.63Å; V363-W390 HydrophobicContact CG2-CZ2 4.09Å; V363-V414 HydrophobicContact CG2-CG1 3.73Å; V363-F418 HydrophobicContact CG1-CB 4.36Å; V363-F418 HydrophobicContact CG2-CB 4.34Å
364	V	98.7	Very high	96.9	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-67.8	-44.1	-175.3	177	0	0	0	0	111	L280 L284 K335 V339 L352 M360 S366 L367 V368	L280-V364 HydrophobicContact CD1-CB 4.25Å; L280-V364 HydrophobicContact CD1-CG2 4.09Å; L280-V364 HydrophobicContact CD2-CG2 4.14Å; L284-V364 HydrophobicContact CD1-CG2 3.64Å; K335-V364 HydrophobicContact CG-CG2 4.43Å; V339-V364 HydrophobicContact CG2-CG1 4.12Å; L352-V364 HydrophobicContact CD1-CB 4.03Å; L352-V364 HydrophobicContact CD1-CG1 3.82Å; L352-V364 HydrophobicContact CD2-CG1 4.08Å; M360-V364 WeakPolarHBondContact O-CG2 3.37Å; M360-V364 PolarHBondContact O-N 3.18Å; V364-S366 VanDerWaalsContact C-N 3.31Å; V364-S366 PolarHBondContact O-N 2.88Å; V364-L367 PolarHBondContact O-N 3.38Å; V364-V368 HydrophobicContact CG1-CG2 4.29Å; V364-V368 WeakPolarHBondContact O-CB 3.39Å; V364-V368 WeakPolarHBondContact O-CG2 3.22Å; V364-V368 PolarHBondContact O-N 2.84Å
365	S	98.6	Very high	97	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.7	-39.4	178.9	70.4	0	0	0	0	112.4	S361 C362 Q369 E389	S361-S365 WeakPolarHBondContact O-CB 3.13Å; S361-S365 PolarHBondContact O-N 2.97Å; S361-S365 PolarHBondContact O-OG 3.31Å; C362-S365 PolarHBondContact O-OG 3.26Å; S365-Q369 WeakPolarHBondContact O-CB 3.32Å; S365-Q369 VanDerWaalsContact O-CG 3.31Å; S365-Q369 WeakPolarHBondContact O-CG 3.37Å; S365-Q369 PolarHBondContact O-N 2.9Å; S365-Q369 PolarHBondContact O-NE2 2.82Å; S365-E389 WeakPolarHBondContact CB-OE2 3.36Å; S365-E389 PolarHBondContact OG-OE2 3.05Å
366	S	98.8	Very high	97.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-68.7	-44.5	178.6	-59.5	0	0	0	0	111.2	C362 V363 V364 Q369 V370 E389 W390	C362-S366 WeakPolarHBondContact O-CB 3.29Å; C362-S366 PolarHBondContact O-N 3.34Å; C362-S366 VanDerWaalsContact O-N 3.09Å; C362-S366 PolarHBondContact O-OG 3.44Å; V363-S366 PolarHBondContact O-N 3.49Å; V364-S366 VanDerWaalsContact C-N 3.31Å; V364-S366 PolarHBondContact O-N 2.88Å; S366-Q369 WeakPolarHBondContact O-CB 3.36Å; S366-Q369 PolarHBondContact O-N 3.26Å; S366-V370 WeakPolarHBondContact O-CG2 3.41Å; S366-V370 PolarHBondContact O-N 3.44Å; S366-E389 VanDerWaalsContact OG-CB 3.3Å; S366-E389 WeakPolarHBondContact OG-CB 3.15Å; S366-W390 PolarHBondContact OG-NE1 3.1Å
367	L	98.9	Very high	97.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.7	-40.5	179.2	-72.3	171.8	0	0	0	112.4	I332 L333 A336 V363 V364 Q369 V370 M371 F418 C421 V422 L425	I332-L367 HydrophobicContact CG2-CD1 3.41Å; I332-L367 VanDerWaalsContact CG2-CD1 3.41Å; L333-L367 HydrophobicContact CD2-CD1 4.36Å; L333-L367 HydrophobicContact CD2-CD2 4.39Å; A336-L367 HydrophobicContact CB-CB 3.66Å; A336-L367 HydrophobicContact CB-CD1 4.29Å; V363-L367 HydrophobicContact CG1-CD1 3.81Å; V363-L367 WeakPolarHBondContact O-CB 3.42Å; V363-L367 VanDerWaalsContact O-CG 3.28Å; V363-L367 WeakPolarHBondContact O-CG 3.39Å; V363-L367 PolarHBondContact O-N 2.91Å; V364-L367 PolarHBondContact O-N 3.38Å; L367-Q369 VanDerWaalsContact C-N 3.28Å; L367-Q369 PolarHBondContact O-N 3.37Å; L367-V370 PolarHBondContact O-N 3.18Å; L367-M371 WeakPolarHBondContact O-CB 3.5Å; L367-M371 WeakPolarHBondContact O-CG 3.21Å; L367-M371 PolarHBondContact O-N 3.26Å; L367-F418 HydrophobicContact CD2-CD2 4.08Å; L367-F418 HydrophobicContact CD2-CE2 4.09Å; L367-F418 HydrophobicContact CG-CD2 4.05Å; L367-F418 HydrophobicContact CG-CE2 4.23Å; L367-C421 HydrophobicContact CD1-CB 3.81Å; L367-C421 HydrophobicContact CD2-CB 3.7Å; L367-C421 HydrophobicContact CG-CB 4.38Å; L367-V422 HydrophobicContact CD2-CG2 3.95Å; L367-L425 HydrophobicContact CD2-CD1 4.2Å
368	V	98.6	Very high	97.5	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-57.4	-45.5	173.7	169.2	0	0	0	0	110.5	L243 A336 V339 L343 V364 M371 C372	L243-V368 HydrophobicContact CD2-CB 4.27Å; L243-V368 HydrophobicContact CD2-CG1 4Å; A336-V368 HydrophobicContact CB-CG2 4.25Å; A336-V368 WeakPolarHBondContact O-CG2 3.29Å; V339-V368 HydrophobicContact CB-CG2 3.75Å; V339-V368 HydrophobicContact CG1-CG1 4.34Å; V339-V368 HydrophobicContact CG1-CG2 3.56Å; L343-V368 HydrophobicContact CD1-CG1 3.49Å; L343-V368 VanDerWaalsContact CD1-CG1 3.49Å; V364-V368 HydrophobicContact CG1-CG2 4.29Å; V364-V368 WeakPolarHBondContact O-CB 3.39Å; V364-V368 WeakPolarHBondContact O-CG2 3.22Å; V364-V368 PolarHBondContact O-N 2.84Å; V368-M371 PolarHBondContact O-N 2.96Å; V368-C372 WeakPolarHBondContact O-CB 3.16Å; V368-C372 PolarHBondContact O-N 2.8Å; V368-C372 PolarHBondContact O-SG 2.84Å
369	Q	98.5	Very high	97.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.5	-44.2	177.6	-80.3	177.4	84.2	0	0	112.5	W235 S365 S366 L367 M371 C372 D373 Y376 L385 E389	W235-Q369 HydrophobicContact CB-CG 3.74Å; W235-Q369 HydrophobicContact CD2-CG 4.01Å; W235-Q369 HydrophobicContact CE3-CG 4.47Å; W235-Q369 HydrophobicContact CG-CG 3.68Å; S365-Q369 WeakPolarHBondContact O-CB 3.32Å; S365-Q369 VanDerWaalsContact O-CG 3.31Å; S365-Q369 WeakPolarHBondContact O-CG 3.37Å; S365-Q369 PolarHBondContact O-N 2.9Å; S365-Q369 PolarHBondContact O-NE2 2.82Å; S366-Q369 WeakPolarHBondContact O-CB 3.36Å; S366-Q369 PolarHBondContact O-N 3.26Å; L367-Q369 VanDerWaalsContact C-N 3.28Å; L367-Q369 PolarHBondContact O-N 3.37Å; Q369-M371 VanDerWaalsContact C-N 3.33Å; Q369-M371 PolarHBondContact O-N 3.05Å; Q369-C372 PolarHBondContact O-N 3.07Å; Q369-D373 WeakPolarHBondContact O-CB 3.27Å; Q369-D373 PolarHBondContact O-N 3.24Å; Q369-Y376 HydrophobicContact CB-CD2 3.56Å; Q369-Y376 HydrophobicContact CB-CE2 3.67Å; Q369-Y376 HydrophobicContact CG-CD2 4.25Å; Q369-Y376 HydrophobicContact CG-CE2 3.83Å; Q369-Y376 PolarHBondContact OE1-OH 3.06Å; Q369-Y376 VanDerWaalsContact OE1-OH 3.07Å; Q369-L385 HydrophobicContact CB-CD1 3.86Å; Q369-L385 HydrophobicContact CG-CD1 4.39Å; Q369-E389 VanDerWaalsContact NE2-CD 3.28Å; Q369-E389 PolarHBondContact NE2-OE1 3.24Å
370	V	98.5	Very high	97.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.2	-39.4	173.4	171.1	0	0	0	0	111.7	S366 L367 R377 F382 L385 L425 F433	S366-V370 WeakPolarHBondContact O-CG2 3.41Å; S366-V370 PolarHBondContact O-N 3.44Å; L367-V370 PolarHBondContact O-N 3.18Å; V370-R377 HydrophobicContact CG1-CG 4.43Å; V370-R377 PolarHBondContact O-NE 2.87Å; V370-F382 HydrophobicContact CG2-CD2 4.26Å; V370-F382 HydrophobicContact CG2-CE2 4.09Å; V370-L385 HydrophobicContact CG2-CD2 3.5Å; V370-L425 HydrophobicContact CG1-CD1 4.03Å; V370-F433 HydrophobicContact CG1-CE1 3.69Å; V370-F433 HydrophobicContact CG1-CZ 3.72Å
371	M	97.5	Very high	97.4	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.02	7%	0.074	C	C	.	.	H	α-helix	trans	-68	-38.4	178.3	-73.3	175	-174.7	0	0	111.9	L333 A336 L367 V368 Q369 R377 L425 I564	L333-M371 HydrophobicContact CD2-CE 3.77Å; A336-M371 HydrophobicContact CB-CE 3.81Å; A336-M371 HydrophobicContact CB-SD 4.09Å; L367-M371 WeakPolarHBondContact O-CB 3.5Å; L367-M371 WeakPolarHBondContact O-CG 3.21Å; L367-M371 PolarHBondContact O-N 3.26Å; V368-M371 PolarHBondContact O-N 2.96Å; Q369-M371 VanDerWaalsContact C-N 3.33Å; Q369-M371 PolarHBondContact O-N 3.05Å; M371-R377 PolarHBondContact O-NH2 3.36Å; M371-L425 HydrophobicContact CE-CD1 4.07Å; M371-L425 HydrophobicContact CE-CD2 4.09Å; M371-L425 HydrophobicContact CG-CD1 3.95Å; M371-I564 HydrophobicContact CG-CD1 4.47Å
372	C	96.1	Very high	97.5	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.014	7%	0.074	C	C	.	.	H	α-helix	trans	-105.2	-18.3	-167.8	-56.6	0	0	0	0	115.4	W235 V368 Q369 I567	W235-C372 HydrophobicContact CH2-CB 3.37Å; W235-C372 HydrophobicContact CZ2-CB 4.12Å; W235-C372 HydrophobicContact CZ3-CB 4Å; V368-C372 WeakPolarHBondContact O-CB 3.16Å; V368-C372 PolarHBondContact O-N 2.8Å; V368-C372 PolarHBondContact O-SG 2.84Å; Q369-C372 PolarHBondContact O-N 3.07Å; C372-I567 HydrophobicContact CB-CD1 4.26Å; C372-I567 WeakPolarHBondContact O-CG2 3.49Å
373	D	96.3	Very high	97.4	Very high	17 Å²	17	14.1 Å²	14.1	9%	0.091	7%	0.074	C	C	.	.			trans	-122.7	109.6	-175	-166	-23.7	0	0	0	111.1	R182 W235 Q369 H375 Y376	R182-D373 IonicContact CZ-OD2 3.04Å; R182-D373 VanDerWaalsContact CZ-OD2 3.29Å; R182-D373 IonicContact NH1-OD1 3.28Å; R182-D373 PolarHBondContact NH1-OD1 3.18Å; R182-D373 IonicContact NH1-OD2 3.03Å; R182-D373 PolarHBondContact NH1-OD2 3.08Å; R182-D373 IonicContact NH2-OD2 3.88Å; R182-D373 PolarHBondContact NH2-OD2 3.41Å; W235-D373 HydrophobicContact CZ2-CB 3.81Å; W235-D373 PolarHBondContact NE1-OD2 3.47Å; Q369-D373 WeakPolarHBondContact O-CB 3.27Å; Q369-D373 PolarHBondContact O-N 3.24Å; D373-H375 PolarHBondContact O-N 3.22Å; D373-H375 VanDerWaalsContact O-N 3.15Å; D373-H375 WeakPolarHBondContact OD1-CB 3.36Å; D373-H375 PolarHBondContact OD1-N 3.42Å; D373-Y376 HydrophobicContact CB-CD2 3.67Å; D373-Y376 HydrophobicContact CB-CE2 4.11Å; D373-Y376 PolarHBondContact O-N 3.14Å; D373-Y376 VanDerWaalsContact O-N 3.16Å
374	P	95.4	Very high	97.4	Very high	53 Å²	53	14.3 Å²	14.3	34%	0.344	8%	0.075	S	C	.	.	G	3₁₀ helix	trans	-57.3	-26.2	177.1	-24.8	34	0	0	0	114	Y376 R377 M540	P374-Y376 VanDerWaalsContact C-N 3.25Å; P374-Y376 PolarHBondContact O-N 3.13Å; P374-R377 PolarHBondContact O-N 2.89Å; P374-M540 HydrophobicContact CB-CE 4.35Å; P374-M540 HydrophobicContact CG-CE 3.56Å; P374-M540 HydrophobicContact CG-SD 4.49Å
375	H	95.8	Very high	97.4	Very high	68 Å²	68	14.3 Å²	14.3	32%	0.315	8%	0.075	S	C	.	.	G	3₁₀ helix	trans	-55.9	-43.7	177	176	69	0	0	0	110.9	D373 R377 T378 G381	D373-H375 PolarHBondContact O-N 3.22Å; D373-H375 VanDerWaalsContact O-N 3.15Å; D373-H375 WeakPolarHBondContact OD1-CB 3.36Å; D373-H375 PolarHBondContact OD1-N 3.42Å; H375-R377 PolarHBondContact O-N 2.78Å; H375-R377 VanDerWaalsContact O-N 3.17Å; H375-T378 WeakPolarHBondContact O-CB 3.3Å; H375-T378 PolarHBondContact O-N 3.27Å; H375-T378 VanDerWaalsContact O-N 3.12Å; H375-T378 PolarHBondContact O-OG1 3.37Å; H375-G381 WeakPolarHBondContact O-CA 3.5Å
376	Y	97.6	Very high	97.4	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.008	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-76.5	1.8	-179.2	-59.6	-49.1	0	0	0	114.7	E179 R182 W235 Q369 D373 P374 G381 F382 L385 K388	E179-Y376 PolarHBondContact OE1-OH 3.33Å; R182-Y376 PolarHBondContact NH2-OH 2.88Å; W235-Y376 AromaticContact CD1-CE2 3.85Å; W235-Y376 AromaticContact NE1-CE2 3.98Å; Q369-Y376 HydrophobicContact CB-CD2 3.56Å; Q369-Y376 HydrophobicContact CB-CE2 3.67Å; Q369-Y376 HydrophobicContact CG-CD2 4.25Å; Q369-Y376 HydrophobicContact CG-CE2 3.83Å; Q369-Y376 PolarHBondContact OE1-OH 3.06Å; Q369-Y376 VanDerWaalsContact OE1-OH 3.07Å; D373-Y376 HydrophobicContact CB-CD2 3.67Å; D373-Y376 HydrophobicContact CB-CE2 4.11Å; D373-Y376 PolarHBondContact O-N 3.14Å; D373-Y376 VanDerWaalsContact O-N 3.16Å; P374-Y376 VanDerWaalsContact C-N 3.25Å; P374-Y376 PolarHBondContact O-N 3.13Å; Y376-G381 WeakPolarHBondContact CD1-O 3.33Å; Y376-F382 WeakPolarHBondContact O-CD2 3.28Å; Y376-L385 HydrophobicContact CD1-CB 3.72Å; Y376-L385 HydrophobicContact CD1-CD1 4.22Å; Y376-L385 HydrophobicContact CD1-CG 4.42Å; Y376-L385 HydrophobicContact CD2-CD1 4.22Å; Y376-L385 HydrophobicContact CE1-CB 4.1Å; Y376-L385 HydrophobicContact CE1-CD1 4.2Å; Y376-L385 HydrophobicContact CE2-CD1 4.18Å; Y376-L385 HydrophobicContact CG-CB 4.19Å; Y376-L385 HydrophobicContact CG-CD1 4.21Å; Y376-L385 HydrophobicContact CG-CD2 4.32Å; Y376-L385 HydrophobicContact CG-CG 4.48Å; Y376-K388 PolarHBondContact OH-NZ 2.68Å
377	R	97.4	Very high	97.3	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.015	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-98.9	5	169.9	-51.6	-177	-155.3	135	2.3	112.6	V370 M371 P374 H375 R432 F433 Q434	V370-R377 HydrophobicContact CG1-CG 4.43Å; V370-R377 PolarHBondContact O-NE 2.87Å; M371-R377 PolarHBondContact O-NH2 3.36Å; P374-R377 PolarHBondContact O-N 2.89Å; H375-R377 PolarHBondContact O-N 2.78Å; H375-R377 VanDerWaalsContact O-N 3.17Å; R377-R432 WeakPolarHBondContact CD-O 3.32Å; R377-F433 HydrophobicContact CB-CD1 3.84Å; R377-F433 HydrophobicContact CB-CE1 4.18Å; R377-F433 HydrophobicContact CB-CG 4.27Å; R377-F433 HydrophobicContact CG-CD1 4.02Å; R377-F433 HydrophobicContact CG-CE1 3.85Å; R377-F433 HydrophobicContact CG-CZ 4.22Å; R377-Q434 WeakPolarHBondContact O-CB 3.25Å; R377-Q434 PolarHBondContact O-N 3.43Å
378	T	96.4	Very high	97.3	Very high	44 Å²	44	14.6 Å²	14.6	27%	0.27	8%	0.077	S	C	.	.	S	Bend	trans	-92.5	160.9	170.2	70.6	0	0	0	0	111.1	H375 G381 F382	H375-T378 WeakPolarHBondContact O-CB 3.3Å; H375-T378 PolarHBondContact O-N 3.27Å; H375-T378 VanDerWaalsContact O-N 3.12Å; H375-T378 PolarHBondContact O-OG1 3.37Å; T378-G381 PolarHBondContact OG1-N 2.97Å; T378-F382 VanDerWaalsContact O-CB 3.28Å; T378-F382 WeakPolarHBondContact O-CB 3.37Å; T378-F382 PolarHBondContact O-N 3.41Å
379	Q	95.6	Very high	97.3	Very high	35 Å²	35	14.8 Å²	14.8	16%	0.164	8%	0.078	C	C	.	.	H	α-helix	trans	-56.8	-57.4	176.4	-174.3	177.2	-2	0	0	112	G381 F382 Q383 L435 F439 V534	Q379-G381 PolarHBondContact O-N 2.84Å; Q379-F382 PolarHBondContact O-N 3.36Å; Q379-Q383 VanDerWaalsContact O-CG 3.23Å; Q379-Q383 WeakPolarHBondContact O-CG 3.35Å; Q379-Q383 PolarHBondContact O-N 3.43Å; Q379-L435 VanDerWaalsContact CA-CD2 3.49Å; Q379-L435 HydrophobicContact CB-CD2 4.16Å; Q379-F439 HydrophobicContact CG-CD2 4.42Å; Q379-F439 HydrophobicContact CG-CE2 3.95Å; Q379-V534 HydrophobicContact CB-CG1 3.93Å; Q379-V534 HydrophobicContact CG-CG1 4.5Å
380	H	95.6	Very high	97.3	Very high	67 Å²	67	14.8 Å²	14.8	31%	0.31	8%	0.078	S	C	.	.	H	α-helix	trans	-65.8	-38.3	-178.5	-61	-68.4	0	0	0	112.5	D164 Q383 G384	D164-H380 IonicContact OD2-CE1 3.05Å; D164-H380 PolarHBondContact OD2-CE1 2.89Å; D164-H380 IonicContact OD2-ND1 3.34Å; D164-H380 PolarHBondContact OD2-ND1 2.97Å; H380-Q383 PolarHBondContact O-N 3.34Å; H380-G384 PolarHBondContact O-N 2.9Å
381	G	97.3	Very high	97.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.1	-44.8	177.2	0	0	0	0	0	112.1	H375 Y376 T378 Q379 Q383 G384 L385	H375-G381 WeakPolarHBondContact O-CA 3.5Å; Y376-G381 WeakPolarHBondContact CD1-O 3.33Å; T378-G381 PolarHBondContact OG1-N 2.97Å; Q379-G381 PolarHBondContact O-N 2.84Å; G381-Q383 PolarHBondContact O-N 3.16Å; G381-G384 CarbonylContact O-C 3.51Å; G381-G384 PolarHBondContact O-N 3.01Å; G381-L385 PolarHBondContact O-N 2.93Å
382	F	98.4	Very high	97.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66	-38.6	177.7	-167.1	-88.8	0	0	0	112.5	V370 Y376 T378 Q379 G384 L385 V386 F418 L419 V422 L435 F439 L440 L443	V370-F382 HydrophobicContact CG2-CD2 4.26Å; V370-F382 HydrophobicContact CG2-CE2 4.09Å; Y376-F382 WeakPolarHBondContact O-CD2 3.28Å; T378-F382 VanDerWaalsContact O-CB 3.28Å; T378-F382 WeakPolarHBondContact O-CB 3.37Å; T378-F382 PolarHBondContact O-N 3.41Å; Q379-F382 PolarHBondContact O-N 3.36Å; F382-G384 VanDerWaalsContact C-N 3.33Å; F382-G384 PolarHBondContact O-N 3.41Å; F382-L385 HydrophobicContact CD2-CD2 4.48Å; F382-L385 WeakPolarHBondContact O-CB 3.3Å; F382-L385 PolarHBondContact O-N 2.82Å; F382-V386 HydrophobicContact CD1-CG2 4Å; F382-V386 HydrophobicContact CE1-CG2 3.71Å; F382-V386 HydrophobicContact CZ-CG2 4.34Å; F382-V386 WeakPolarHBondContact O-CG2 3.01Å; F382-V386 PolarHBondContact O-N 3.17Å; F382-F418 HydrophobicContact CE1-CE1 4.43Å; F382-F418 HydrophobicContact CE2-CE1 4.36Å; F382-F418 AromaticContact CE2-CZ 3.89Å; F382-F418 HydrophobicContact CE2-CZ 3.89Å; F382-F418 AromaticContact CZ-CE1 3.69Å; F382-F418 HydrophobicContact CZ-CE1 3.69Å; F382-F418 AromaticContact CZ-CZ 3.69Å; F382-F418 HydrophobicContact CZ-CZ 3.69Å; F382-L419 HydrophobicContact CE1-CD2 4.27Å; F382-L419 HydrophobicContact CZ-CD2 4.15Å; F382-V422 HydrophobicContact CE2-CB 4.49Å; F382-V422 HydrophobicContact CE2-CG1 3.87Å; F382-V422 HydrophobicContact CE2-CG2 3.95Å; F382-V422 HydrophobicContact CZ-CG1 4.23Å; F382-V422 HydrophobicContact CZ-CG2 4.17Å; F382-L435 HydrophobicContact CB-CD1 3.66Å; F382-L435 HydrophobicContact CB-CD2 4.37Å; F382-L435 HydrophobicContact CD1-CD1 4.2Å; F382-L435 HydrophobicContact CD2-CD1 3.67Å; F382-L435 HydrophobicContact CE2-CD1 4.34Å; F382-L435 HydrophobicContact CG-CD1 3.57Å; F382-F439 AromaticContact CD1-CE1 3.57Å; F382-F439 HydrophobicContact CD1-CE1 3.57Å; F382-F439 HydrophobicContact CD1-CZ 4.18Å; F382-F439 HydrophobicContact CE1-CE1 4.05Å; F382-F439 HydrophobicContact CG-CE1 4.33Å; F382-L440 HydrophobicContact CE1-CD2 4.28Å; F382-L440 HydrophobicContact CZ-CD2 4.12Å; F382-L443 HydrophobicContact CD1-CD2 4.44Å; F382-L443 HydrophobicContact CE1-CD2 3.82Å
383	Q	97.8	Very high	97.2	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-59.1	-45.2	170.9	-67.7	172.7	-175.9	0	0	111.4	M167 Q379 H380 G381 L385 V386 Q387 F439 W519	M167-Q383 HydrophobicContact CE-CB 4.05Å; M167-Q383 HydrophobicContact CG-CB 4.28Å; M167-Q383 HydrophobicContact SD-CB 3.59Å; M167-Q383 VanDerWaalsContact SD-CB 3.59Å; M167-Q383 HydrophobicContact SD-CG 4.48Å; M167-Q383 PolarHBondContact SD-NE2 2.93Å; M167-Q383 VanDerWaalsContact SD-NE2 3.42Å; Q379-Q383 VanDerWaalsContact O-CG 3.23Å; Q379-Q383 WeakPolarHBondContact O-CG 3.35Å; Q379-Q383 PolarHBondContact O-N 3.43Å; H380-Q383 PolarHBondContact O-N 3.34Å; G381-Q383 PolarHBondContact O-N 3.16Å; Q383-L385 VanDerWaalsContact C-N 3.34Å; Q383-L385 PolarHBondContact O-N 2.61Å; Q383-V386 PolarHBondContact O-N 2.66Å; Q383-Q387 VanDerWaalsContact O-CB 3.26Å; Q383-Q387 WeakPolarHBondContact O-CB 3.45Å; Q383-Q387 PolarHBondContact O-N 2.94Å; Q383-F439 HydrophobicContact CG-CE2 4.48Å; Q383-F439 HydrophobicContact CG-CZ 4.12Å; Q383-W519 HydrophobicContact CB-CD2 4.19Å; Q383-W519 HydrophobicContact CB-CE3 4Å; Q383-W519 HydrophobicContact CB-CH2 4.46Å; Q383-W519 HydrophobicContact CB-CZ3 4.14Å; Q383-W519 HydrophobicContact CG-CD2 4.18Å; Q383-W519 HydrophobicContact CG-CE3 3.57Å; Q383-W519 HydrophobicContact CG-CZ3 3.79Å
384	G	97.7	Very high	97.2	Very high	3 Å²	3	14.4 Å²	14.4	3%	0.031	8%	0.077	C	C	.	.	H	α-helix	trans	-61.4	-39	174.1	0	0	0	0	0	113	F170 H380 G381 F382 Q387 K388	F170-G384 WeakPolarHBondContact CE2-O 3.45Å; H380-G384 PolarHBondContact O-N 2.9Å; G381-G384 CarbonylContact O-C 3.51Å; G381-G384 PolarHBondContact O-N 3.01Å; F382-G384 VanDerWaalsContact C-N 3.33Å; F382-G384 PolarHBondContact O-N 3.41Å; G384-Q387 PolarHBondContact O-N 3.15Å; G384-K388 VanDerWaalsContact O-CB 3.28Å; G384-K388 WeakPolarHBondContact O-CB 3.32Å; G384-K388 PolarHBondContact O-N 2.98Å
385	L	98.6	Very high	97.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.4	-50	175.8	-178.8	68.2	0	0	0	111.3	Q369 V370 Y376 G381 F382 Q383 Q387 K388 E389	Q369-L385 HydrophobicContact CB-CD1 3.86Å; Q369-L385 HydrophobicContact CG-CD1 4.39Å; V370-L385 HydrophobicContact CG2-CD2 3.5Å; Y376-L385 HydrophobicContact CD1-CB 3.72Å; Y376-L385 HydrophobicContact CD1-CD1 4.22Å; Y376-L385 HydrophobicContact CD1-CG 4.42Å; Y376-L385 HydrophobicContact CD2-CD1 4.22Å; Y376-L385 HydrophobicContact CE1-CB 4.1Å; Y376-L385 HydrophobicContact CE1-CD1 4.2Å; Y376-L385 HydrophobicContact CE2-CD1 4.18Å; Y376-L385 HydrophobicContact CG-CB 4.19Å; Y376-L385 HydrophobicContact CG-CD1 4.21Å; Y376-L385 HydrophobicContact CG-CD2 4.32Å; Y376-L385 HydrophobicContact CG-CG 4.48Å; G381-L385 PolarHBondContact O-N 2.93Å; F382-L385 HydrophobicContact CD2-CD2 4.48Å; F382-L385 WeakPolarHBondContact O-CB 3.3Å; F382-L385 PolarHBondContact O-N 2.82Å; Q383-L385 VanDerWaalsContact C-N 3.34Å; Q383-L385 PolarHBondContact O-N 2.61Å; L385-Q387 VanDerWaalsContact C-N 3.31Å; L385-Q387 PolarHBondContact O-N 3.28Å; L385-K388 PolarHBondContact O-N 2.89Å; L385-E389 HydrophobicContact CD1-CG 3.7Å; L385-E389 HydrophobicContact CG-CG 4.49Å; L385-E389 WeakPolarHBondContact O-CB 3.22Å; L385-E389 PolarHBondContact O-N 2.94Å
386	V	98.6	Very high	97.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.3	-43.3	177.4	175.2	0	0	0	0	110.2	F382 Q383 K388 W390 V391 F415 F418 L443 F455 W519	F382-V386 HydrophobicContact CD1-CG2 4Å; F382-V386 HydrophobicContact CE1-CG2 3.71Å; F382-V386 HydrophobicContact CZ-CG2 4.34Å; F382-V386 WeakPolarHBondContact O-CG2 3.01Å; F382-V386 PolarHBondContact O-N 3.17Å; Q383-V386 PolarHBondContact O-N 2.66Å; V386-K388 VanDerWaalsContact C-N 3.35Å; V386-K388 PolarHBondContact O-N 3.15Å; V386-W390 HydrophobicContact CG1-CB 4.39Å; V386-W390 VanDerWaalsContact O-CB 3.26Å; V386-W390 WeakPolarHBondContact O-CB 3.4Å; V386-W390 PolarHBondContact O-N 3.26Å; V386-W390 VanDerWaalsContact O-N 3.11Å; V386-V391 PolarHBondContact O-N 2.79Å; V386-V391 VanDerWaalsContact O-N 3.12Å; V386-F415 HydrophobicContact CG1-CE2 3.89Å; V386-F415 HydrophobicContact CG1-CZ 3.78Å; V386-F415 HydrophobicContact CG2-CE2 4.23Å; V386-F415 HydrophobicContact CG2-CZ 4.19Å; V386-F418 HydrophobicContact CG2-CE1 4.33Å; V386-L443 HydrophobicContact CG2-CD2 4.33Å; V386-F455 HydrophobicContact CG1-CE1 4.19Å; V386-F455 HydrophobicContact CG1-CZ 4.27Å; V386-W519 HydrophobicContact CB-CH2 3.75Å; V386-W519 HydrophobicContact CB-CZ2 4.09Å; V386-W519 HydrophobicContact CG1-CH2 3.68Å; V386-W519 HydrophobicContact CG1-CZ2 3.95Å; V386-W519 HydrophobicContact CG2-CH2 4.45Å
387	Q	97.8	Very high	97.2	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.009	5%	0.053	C	C	.	.	I	π-helix	trans	-57.9	-46.7	175.6	-173	67.9	30.4	0	0	111.3	M167 W169 F170 Q383 G384 L385 V391 M392	M167-Q387 HydrophobicContact CE-CB 3.63Å; M167-Q387 HydrophobicContact CE-CG 3.9Å; W169-Q387 WeakPolarHBondContact O-CG 3.32Å; W169-Q387 PolarHBondContact O-NE2 3.49Å; F170-Q387 HydrophobicContact CD2-CG 4.37Å; Q383-Q387 VanDerWaalsContact O-CB 3.26Å; Q383-Q387 WeakPolarHBondContact O-CB 3.45Å; Q383-Q387 PolarHBondContact O-N 2.94Å; G384-Q387 PolarHBondContact O-N 3.15Å; L385-Q387 VanDerWaalsContact C-N 3.31Å; L385-Q387 PolarHBondContact O-N 3.28Å; Q387-V391 WeakPolarHBondContact O-CB 3.22Å; Q387-V391 PolarHBondContact O-N 3.08Å; Q387-M392 HydrophobicContact CG-CG 4.47Å; Q387-M392 WeakPolarHBondContact O-CB 3.35Å; Q387-M392 VanDerWaalsContact O-CG 3.26Å; Q387-M392 WeakPolarHBondContact O-CG 3.45Å; Q387-M392 PolarHBondContact O-N 3.28Å
388	K	98.1	Very high	96.8	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.017	6%	0.062	C	C	.	.	I	π-helix	trans	-70.1	-60.3	-179.3	-171.9	-178.7	64.4	169.3	0	113	F170 W176 E179 C234 Y376 G384 L385 V386 W390 A393	F170-K388 HydrophobicContact CD1-CB 4.33Å; F170-K388 HydrophobicContact CD1-CD 4.22Å; F170-K388 HydrophobicContact CD1-CG 4.06Å; F170-K388 HydrophobicContact CD2-CB 3.76Å; F170-K388 HydrophobicContact CD2-CG 4.38Å; F170-K388 HydrophobicContact CE1-CB 4.29Å; F170-K388 HydrophobicContact CE1-CD 3.66Å; F170-K388 HydrophobicContact CE1-CG 3.99Å; F170-K388 HydrophobicContact CE2-CB 3.72Å; F170-K388 HydrophobicContact CE2-CD 4.37Å; F170-K388 HydrophobicContact CE2-CG 4.33Å; F170-K388 HydrophobicContact CG-CB 4.07Å; F170-K388 HydrophobicContact CG-CG 4.25Å; F170-K388 HydrophobicContact CZ-CB 4Å; F170-K388 HydrophobicContact CZ-CD 3.75Å; F170-K388 HydrophobicContact CZ-CG 4.13Å; W176-K388 HydrophobicContact CH2-CG 3.87Å; W176-K388 HydrophobicContact CZ3-CD 4.15Å; W176-K388 HydrophobicContact CZ3-CG 3.96Å; E179-K388 IonicContact OE1-NZ 3.81Å; C234-K388 PolarHBondContact O-NZ 3.37Å; Y376-K388 PolarHBondContact OH-NZ 2.68Å; G384-K388 VanDerWaalsContact O-CB 3.28Å; G384-K388 WeakPolarHBondContact O-CB 3.32Å; G384-K388 PolarHBondContact O-N 2.98Å; L385-K388 PolarHBondContact O-N 2.89Å; V386-K388 VanDerWaalsContact C-N 3.35Å; V386-K388 PolarHBondContact O-N 3.15Å; K388-W390 PolarHBondContact O-N 3.38Å; K388-A393 PolarHBondContact O-N 2.91Å; K388-A393 VanDerWaalsContact O-N 3.07Å
389	E	98.3	Very high	96.6	Very high	4 Å²	4	12.4 Å²	12.4	2%	0.019	6%	0.061	C	C	.	.	I	π-helix	trans	-81.6	-15.4	-166.7	-68.7	-63.8	153.2	0	0	114	C234 R245 C362 S365 S366 Q369 L385 A393	C234-E389 WeakPolarHBondContact CB-OE1 3.43Å; R245-E389 WeakPolarHBondContact CD-OE2 3.47Å; R245-E389 IonicContact CZ-OE2 2.73Å; R245-E389 PolarHBondContact NH1-O 3.34Å; R245-E389 IonicContact NH1-OE2 2.75Å; R245-E389 PolarHBondContact NH1-OE2 3.31Å; C362-E389 PolarHBondContact SG-O 3.13Å; C362-E389 VanDerWaalsContact SG-O 3.34Å; S365-E389 WeakPolarHBondContact CB-OE2 3.36Å; S365-E389 PolarHBondContact OG-OE2 3.05Å; S366-E389 VanDerWaalsContact OG-CB 3.3Å; S366-E389 WeakPolarHBondContact OG-CB 3.15Å; Q369-E389 VanDerWaalsContact NE2-CD 3.28Å; Q369-E389 PolarHBondContact NE2-OE1 3.24Å; L385-E389 HydrophobicContact CD1-CG 3.7Å; L385-E389 HydrophobicContact CG-CG 4.49Å; L385-E389 WeakPolarHBondContact O-CB 3.22Å; L385-E389 PolarHBondContact O-N 2.94Å; E389-A393 WeakPolarHBondContact O-CB 3.31Å
390	W	98.4	Very high	96.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.055	C	C	.	.	I	π-helix	trans	-119.1	-57	-179.3	-59.4	73.4	0	0	0	111.6	C362 V363 S366 V386 K388 G394 H395 F397 V414 F415 F418	C362-W390 HydrophobicContact CB-CD2 3.85Å; C362-W390 HydrophobicContact CB-CE3 3.94Å; C362-W390 HydrophobicContact CB-CG 4.47Å; C362-W390 HydrophobicContact CB-CH2 4.05Å; C362-W390 HydrophobicContact CB-CZ2 3.92Å; C362-W390 HydrophobicContact CB-CZ3 4.04Å; V363-W390 HydrophobicContact CG2-CH2 3.63Å; V363-W390 HydrophobicContact CG2-CZ2 4.09Å; S366-W390 PolarHBondContact OG-NE1 3.1Å; V386-W390 HydrophobicContact CG1-CB 4.39Å; V386-W390 VanDerWaalsContact O-CB 3.26Å; V386-W390 WeakPolarHBondContact O-CB 3.4Å; V386-W390 PolarHBondContact O-N 3.26Å; V386-W390 VanDerWaalsContact O-N 3.11Å; K388-W390 PolarHBondContact O-N 3.38Å; W390-G394 PolarHBondContact O-N 3.42Å; W390-G394 VanDerWaalsContact O-N 3.1Å; W390-H395 HydrophobicContact CB-CB 4.31Å; W390-H395 HydrophobicContact CE3-CB 3.92Å; W390-H395 AromaticContact CE3-CD2 3.73Å; W390-H395 AromaticContact CE3-CG 3.6Å; W390-H395 AromaticContact CE3-ND1 4Å; W390-H395 AromaticContact CZ3-CE1 3.97Å; W390-H395 AromaticContact CZ3-CG 4Å; W390-H395 AromaticContact CZ3-ND1 3.95Å; W390-H395 WeakPolarHBondContact O-CB 3.46Å; W390-H395 PolarHBondContact O-N 2.94Å; W390-F397 HydrophobicContact CB-CE2 3.83Å; W390-F397 HydrophobicContact CB-CZ 3.82Å; W390-F397 HydrophobicContact CE3-CZ 4.22Å; W390-F397 HydrophobicContact CG-CZ 4.5Å; W390-V414 HydrophobicContact CH2-CG1 4.21Å; W390-V414 HydrophobicContact CZ3-CG1 4.2Å; W390-F415 AromaticContact CD2-CD2 3.59Å; W390-F415 HydrophobicContact CD2-CD2 3.59Å; W390-F415 AromaticContact CD2-CE2 3.87Å; W390-F415 HydrophobicContact CD2-CE2 3.87Å; W390-F415 AromaticContact CE2-CD2 3.84Å; W390-F415 HydrophobicContact CE3-CB 4.4Å; W390-F415 AromaticContact CE3-CD2 3.49Å; W390-F415 HydrophobicContact CE3-CD2 3.49Å; W390-F415 VanDerWaalsContact CE3-CD2 3.49Å; W390-F415 HydrophobicContact CE3-CE2 4.22Å; W390-F415 HydrophobicContact CE3-CG 4.37Å; W390-F415 HydrophobicContact CG-CD2 4.29Å; W390-F415 HydrophobicContact CG-CE2 4.13Å; W390-F415 HydrophobicContact CH2-CB 4.43Å; W390-F415 AromaticContact CH2-CD2 3.88Å; W390-F415 HydrophobicContact CH2-CD2 3.88Å; W390-F415 AromaticContact CZ2-CD2 4Å; W390-F415 HydrophobicContact CZ2-CD2 4Å; W390-F415 HydrophobicContact CZ3-CB 3.96Å; W390-F415 AromaticContact CZ3-CD2 3.64Å; W390-F415 HydrophobicContact CZ3-CD2 3.64Å; W390-F415 HydrophobicContact CZ3-CG 4.3Å; W390-F418 AromaticContact CE2-CD1 3.97Å; W390-F418 HydrophobicContact CH2-CB 3.68Å; W390-F418 HydrophobicContact CH2-CD1 4.42Å; W390-F418 HydrophobicContact CH2-CG 4.14Å; W390-F418 HydrophobicContact CZ2-CB 3.47Å; W390-F418 VanDerWaalsContact CZ2-CB 3.47Å; W390-F418 AromaticContact CZ2-CD1 3.63Å; W390-F418 HydrophobicContact CZ2-CD1 3.63Å; W390-F418 HydrophobicContact CZ2-CD2 4Å; W390-F418 HydrophobicContact CZ2-CE1 4.37Å; W390-F418 AromaticContact CZ2-CG 3.41Å; W390-F418 HydrophobicContact CZ2-CG 3.41Å; W390-F418 VanDerWaalsContact CZ2-CG 3.41Å
391	V	97.3	Very high	96.2	Very high	5 Å²	5	8.8 Å²	8.8	3%	0.03	5%	0.045	C	C	.	.	I	π-helix	trans	-75.2	-45.4	-171	-178.2	0	0	0	0	111.8	V386 Q387 F397 T454 F455	V386-V391 PolarHBondContact O-N 2.79Å; V386-V391 VanDerWaalsContact O-N 3.12Å; Q387-V391 WeakPolarHBondContact O-CB 3.22Å; Q387-V391 PolarHBondContact O-N 3.08Å; V391-F397 HydrophobicContact CG2-CE2 4.13Å; V391-T454 HydrophobicContact CB-CG2 4.44Å; V391-T454 HydrophobicContact CG1-CG2 4.12Å; V391-T454 HydrophobicContact CG2-CG2 3.5Å; V391-T454 VanDerWaalsContact CG2-CG2 3.5Å; V391-F455 HydrophobicContact CG2-CD1 4.3Å; V391-F455 HydrophobicContact CG2-CE1 3.92Å
392	M	96.7	Very high	95.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-82.2	-35.6	178.6	-64.3	-50.5	-60.6	0	0	112.3	F170 E171 W176 S204 Q387 G394 Q460 R463	F170-M392 HydrophobicContact CB-CB 4.5Å; F170-M392 HydrophobicContact CB-CG 3.72Å; F170-M392 WeakPolarHBondContact O-CE 3.42Å; E171-M392 HydrophobicContact CG-SD 4.18Å; W176-M392 HydrophobicContact CZ2-CB 4.19Å; S204-M392 WeakPolarHBondContact CB-O 3.47Å; Q387-M392 HydrophobicContact CG-CG 4.47Å; Q387-M392 WeakPolarHBondContact O-CB 3.35Å; Q387-M392 VanDerWaalsContact O-CG 3.26Å; Q387-M392 WeakPolarHBondContact O-CG 3.45Å; Q387-M392 PolarHBondContact O-N 3.28Å; M392-G394 PolarHBondContact O-N 2.85Å; M392-Q460 HydrophobicContact CE-CB 4.45Å; M392-Q460 HydrophobicContact CE-CG 4.08Å; M392-Q460 VanDerWaalsContact CE-OE1 3.31Å; M392-R463 PolarHBondContact SD-NH2 2.99Å
393	A	96.3	Very high	94.7	Very high	10 Å²	10	9.7 Å²	9.7	8%	0.083	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.4	171	0	0	0	0	0	113.1	R229 K388 E389	R229-A393 PolarHBondContact NH1-O 2.86Å; R229-A393 VanDerWaalsContact NH1-O 3.12Å; R229-A393 PolarHBondContact NH2-O 2.81Å; K388-A393 PolarHBondContact O-N 2.91Å; K388-A393 VanDerWaalsContact O-N 3.07Å; E389-A393 WeakPolarHBondContact O-CB 3.31Å
394	G	96.6	Very high	93.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	42	174.3	0	0	0	0	0	113.6	R358 W390 M392 N458	R358-G394 PolarHBondContact NE-O 3.12Å; R358-G394 PolarHBondContact NH2-O 2.77Å; W390-G394 PolarHBondContact O-N 3.42Å; W390-G394 VanDerWaalsContact O-N 3.1Å; M392-G394 PolarHBondContact O-N 2.85Å; G394-N458 CarbonylContact C-O 3.58Å; G394-N458 WeakPolarHBondContact CA-O 3.38Å
395	H	97.6	Very high	92.2	Very high	3 Å²	3	14.9 Å²	14.9	1%	0.014	7%	0.069	C	C	.	.			trans	-56.1	140	165.6	177.7	66.9	0	0	0	110.4	R358 D359 W390 F397 N458	R358-H395 PolarHBondContact O-ND1 2.88Å; D359-H395 IonicContact OD1-CE1 2.81Å; D359-H395 PolarHBondContact OD1-CE1 3.37Å; D359-H395 IonicContact OD1-ND1 3.39Å; W390-H395 HydrophobicContact CB-CB 4.31Å; W390-H395 HydrophobicContact CE3-CB 3.92Å; W390-H395 AromaticContact CE3-CD2 3.73Å; W390-H395 AromaticContact CE3-CG 3.6Å; W390-H395 AromaticContact CE3-ND1 4Å; W390-H395 AromaticContact CZ3-CE1 3.97Å; W390-H395 AromaticContact CZ3-CG 4Å; W390-H395 AromaticContact CZ3-ND1 3.95Å; W390-H395 WeakPolarHBondContact O-CB 3.46Å; W390-H395 PolarHBondContact O-N 2.94Å; H395-F397 HydrophobicContact CB-CD2 4.22Å; H395-F397 HydrophobicContact CB-CE2 4.04Å; H395-F397 AromaticContact CD2-CD1 3.72Å; H395-F397 AromaticContact CD2-CD2 3.75Å; H395-F397 AromaticContact CD2-CE1 3.78Å; H395-F397 AromaticContact CD2-CE2 3.82Å; H395-F397 AromaticContact CD2-CG 3.7Å; H395-F397 AromaticContact CD2-CZ 3.83Å; H395-F397 PolarHBondContact O-N 2.99Å; H395-N458 CarbonylContact C-O 3.51Å
396	R	95.1	Very high	90.7	Very high	33 Å²	33	21.5 Å²	21.5	13%	0.125	10%	0.1	C	C	.	.			trans	-78.2	53.7	-173.9	-64.2	-174.1	-77.7	-172	-19.7	112.7	E356 D359 Y398 S399 R400 E410 N458	E356-R396 VanDerWaalsContact CD-NH2 3.3Å; E356-R396 IonicContact OE1-CZ 3.87Å; E356-R396 IonicContact OE1-NH1 2.68Å; E356-R396 IonicContact OE1-NH2 3.97Å; E356-R396 PolarHBondContact OE1-NH2 2.95Å; E356-R396 IonicContact OE2-CZ 3.5Å; E356-R396 IonicContact OE2-NE 3.22Å; E356-R396 IonicContact OE2-NH1 3.24Å; E356-R396 PolarHBondContact OE2-NH1 2.94Å; E356-R396 IonicContact OE2-NH2 3.55Å; E356-R396 PolarHBondContact OE2-NH2 3.21Å; D359-R396 IonicContact OD2-NH2 3.72Å; R396-Y398 VanDerWaalsContact C-N 3.29Å; R396-Y398 PolarHBondContact O-N 3.15Å; R396-S399 PolarHBondContact O-N 2.89Å; R396-S399 VanDerWaalsContact O-N 3.17Å; R396-R400 HydrophobicContact CB-CG 4.21Å; R396-R400 VanDerWaalsContact O-CB 3.29Å; R396-R400 WeakPolarHBondContact O-CB 3.15Å; R396-R400 WeakPolarHBondContact O-CG 3.42Å; R396-R400 PolarHBondContact O-N 3.27Å; R396-E410 IonicContact CZ-OE2 3.07Å; R396-E410 IonicContact NH1-OE2 2.89Å; R396-E410 PolarHBondContact NH1-OE2 3.48Å; R396-N458 VanDerWaalsContact CA-OD1 3.26Å; R396-N458 WeakPolarHBondContact CA-OD1 3.35Å; R396-N458 HydrophobicContact CB-CB 4.29Å; R396-N458 HydrophobicContact CG-CB 4.22Å; R396-N458 PolarHBondContact O-OD1 3.06Å
397	F	94.9	Very high	89.6	Confident	4 Å²	4	24.1 Å²	24.1	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-49.4	-49.7	-176.6	-79.7	-75.2	0	0	0	112.1	W390 V391 H395 S399 R400 I401 F415 F455	W390-F397 HydrophobicContact CB-CE2 3.83Å; W390-F397 HydrophobicContact CB-CZ 3.82Å; W390-F397 HydrophobicContact CE3-CZ 4.22Å; W390-F397 HydrophobicContact CG-CZ 4.5Å; V391-F397 HydrophobicContact CG2-CE2 4.13Å; H395-F397 HydrophobicContact CB-CD2 4.22Å; H395-F397 HydrophobicContact CB-CE2 4.04Å; H395-F397 AromaticContact CD2-CD1 3.72Å; H395-F397 AromaticContact CD2-CD2 3.75Å; H395-F397 AromaticContact CD2-CE1 3.78Å; H395-F397 AromaticContact CD2-CE2 3.82Å; H395-F397 AromaticContact CD2-CG 3.7Å; H395-F397 AromaticContact CD2-CZ 3.83Å; H395-F397 PolarHBondContact O-N 2.99Å; F397-S399 PolarHBondContact O-N 2.91Å; F397-R400 PolarHBondContact O-N 2.85Å; F397-I401 HydrophobicContact CB-CD1 4.1Å; F397-I401 HydrophobicContact CD1-CD1 4.34Å; F397-I401 WeakPolarHBondContact O-CB 3.33Å; F397-I401 WeakPolarHBondContact O-CD1 2.95Å; F397-I401 WeakPolarHBondContact O-CG1 3.37Å; F397-I401 PolarHBondContact O-N 2.73Å; F397-F415 HydrophobicContact CE1-CB 4.08Å; F397-F415 HydrophobicContact CE1-CD1 4.04Å; F397-F415 HydrophobicContact CE1-CD2 4.09Å; F397-F415 HydrophobicContact CE1-CE1 4.48Å; F397-F415 AromaticContact CE1-CG 3.8Å; F397-F415 HydrophobicContact CE1-CG 3.8Å; F397-F415 HydrophobicContact CZ-CD2 4.14Å; F397-F415 HydrophobicContact CZ-CE2 4.34Å; F397-F415 HydrophobicContact CZ-CG 4.32Å; F397-F455 HydrophobicContact CB-CB 4.27Å; F397-F455 WeakPolarHBondContact CB-O 3.43Å; F397-F455 HydrophobicContact CD1-CB 4.15Å; F397-F455 AromaticContact CD1-CD1 3.77Å; F397-F455 HydrophobicContact CD1-CD1 3.77Å; F397-F455 HydrophobicContact CD1-CE1 4.48Å; F397-F455 HydrophobicContact CD1-CG 4.14Å; F397-F455 AromaticContact CD2-CD1 3.83Å; F397-F455 HydrophobicContact CD2-CD1 3.83Å; F397-F455 AromaticContact CE1-CD1 3.56Å; F397-F455 HydrophobicContact CE1-CD1 3.56Å; F397-F455 AromaticContact CE1-CE1 3.82Å; F397-F455 HydrophobicContact CE1-CE1 3.82Å; F397-F455 HydrophobicContact CE1-CG 4.22Å; F397-F455 AromaticContact CE2-CD1 3.62Å; F397-F455 HydrophobicContact CE2-CD1 3.62Å; F397-F455 AromaticContact CE2-CE1 3.92Å; F397-F455 HydrophobicContact CE2-CE1 3.92Å; F397-F455 HydrophobicContact CG-CB 4.13Å; F397-F455 AromaticContact CG-CD1 3.91Å; F397-F455 HydrophobicContact CG-CD1 3.91Å; F397-F455 HydrophobicContact CG-CG 4.39Å; F397-F455 AromaticContact CZ-CD1 3.48Å; F397-F455 HydrophobicContact CZ-CD1 3.48Å; F397-F455 VanDerWaalsContact CZ-CD1 3.48Å; F397-F455 AromaticContact CZ-CE1 3.5Å; F397-F455 HydrophobicContact CZ-CE1 3.5Å; F397-F455 VanDerWaalsContact CZ-CE1 3.5Å
398	Y	90.1	Very high	88.7	Confident	53 Å²	53	29.2 Å²	29.2	21%	0.208	15%	0.145	C	C	.	.	H	α-helix	trans	-60.6	-44	-176.7	-165.7	-96.7	0	0	0	112.8	R396 N402 Y403 H404 N458	R396-Y398 VanDerWaalsContact C-N 3.29Å; R396-Y398 PolarHBondContact O-N 3.15Å; Y398-N402 PolarHBondContact O-N 2.75Å; Y398-Y403 HydrophobicContact CD2-CD2 4.1Å; Y398-Y403 HydrophobicContact CD2-CE2 4.36Å; Y398-Y403 HydrophobicContact CE2-CD2 4.14Å; Y398-H404 AromaticContact CZ-NE2 3.67Å; Y398-H404 PolarHBondContact OH-NE2 3.32Å; Y398-N458 WeakPolarHBondContact CB-OD1 3.44Å; Y398-N458 PolarHBondContact N-OD1 3.37Å
399	S	91.6	Very high	87.9	Confident	36 Å²	36	37.8 Å²	37.8	25%	0.252	18%	0.183	S	C	.	.	H	α-helix	trans	-70.6	-40.2	177.1	-58	0	0	0	0	112.3	R396 F397 N402 N458	R396-S399 PolarHBondContact O-N 2.89Å; R396-S399 VanDerWaalsContact O-N 3.17Å; F397-S399 PolarHBondContact O-N 2.91Å; S399-N402 PolarHBondContact O-N 2.88Å; S399-N458 PolarHBondContact N-OD1 2.92Å; S399-N458 PolarHBondContact OG-ND2 3.25Å; S399-N458 PolarHBondContact OG-OD1 3.3Å
400	R	94.1	Very high	87.3	Confident	9 Å²	9	41.6 Å²	41.6	3%	0.034	20%	0.201	C	C	.	.	H	α-helix	trans	-71.7	-33	-176.4	-68.9	-77	174.9	-90.6	3.8	113.4	D359 R396 F397 E410 E411 S412	D359-R400 IonicContact OD1-CZ 3.52Å; D359-R400 IonicContact OD1-NE 3.38Å; D359-R400 PolarHBondContact OD1-NE 3.38Å; D359-R400 IonicContact OD1-NH2 3.52Å; D359-R400 IonicContact OD2-CZ 3.82Å; D359-R400 IonicContact OD2-NE 3.07Å; D359-R400 IonicContact OD2-NH2 2.83Å; D359-R400 PolarHBondContact OD2-NH2 3.23Å; R396-R400 HydrophobicContact CB-CG 4.21Å; R396-R400 VanDerWaalsContact O-CB 3.29Å; R396-R400 WeakPolarHBondContact O-CB 3.15Å; R396-R400 WeakPolarHBondContact O-CG 3.42Å; R396-R400 PolarHBondContact O-N 3.27Å; F397-R400 PolarHBondContact O-N 2.85Å; R400-E410 WeakPolarHBondContact CD-O 2.93Å; R400-E410 IonicContact CZ-OE2 2.67Å; R400-E410 PolarHBondContact NH1-O 3.17Å; R400-E410 IonicContact NH1-OE2 3.93Å; R400-E410 PolarHBondContact NH1-OE2 3.25Å; R400-E410 IonicContact NH2-OE2 3.96Å; R400-E411 WeakPolarHBondContact O-CA 3.5Å; R400-E411 WeakPolarHBondContact O-CG 3.2Å; R400-S412 PolarHBondContact O-N 3.3Å
401	I	89.6	Confident	87.1	Confident	18 Å²	18	44 Å²	44	9%	0.092	21%	0.212	C	C	.	.	H	α-helix	trans	-79.4	-27.3	176.5	-61.6	158.3	0	0	0	111.5	F397 Y403 V447	F397-I401 HydrophobicContact CB-CD1 4.1Å; F397-I401 HydrophobicContact CD1-CD1 4.34Å; F397-I401 WeakPolarHBondContact O-CB 3.33Å; F397-I401 WeakPolarHBondContact O-CD1 2.95Å; F397-I401 WeakPolarHBondContact O-CG1 3.37Å; F397-I401 PolarHBondContact O-N 2.73Å; I401-Y403 HydrophobicContact CB-CD2 4.3Å; I401-Y403 HydrophobicContact CB-CE2 3.98Å; I401-Y403 HydrophobicContact CD1-CE2 3.92Å; I401-Y403 HydrophobicContact CG2-CD1 3.99Å; I401-Y403 HydrophobicContact CG2-CD2 3.99Å; I401-Y403 HydrophobicContact CG2-CE1 3.69Å; I401-Y403 HydrophobicContact CG2-CE2 3.68Å; I401-Y403 HydrophobicContact CG2-CG 4.15Å; I401-Y403 PolarHBondContact O-N 2.83Å; I401-V447 HydrophobicContact CD1-CG1 3.57Å; I401-V447 WeakPolarHBondContact CD1-O 3.31Å; I401-V447 HydrophobicContact CG1-CG1 3.82Å
402	N	85.9	Confident	87	Confident	16 Å²	16	44 Å²	44	9%	0.086	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	56.6	176.9	-172.1	22.5	0	0	0	112.9	R104 Y398 S399 H404 R405 S407 D408 E411	R104-N402 PolarHBondContact NH1-O 2.5Å; Y398-N402 PolarHBondContact O-N 2.75Å; S399-N402 PolarHBondContact O-N 2.88Å; N402-H404 PolarHBondContact O-N 3.48Å; N402-H404 VanDerWaalsContact O-N 3.14Å; N402-R405 PolarHBondContact O-N 3.35Å; N402-R405 WeakPolarHBondContact OD1-CA 3.43Å; N402-R405 PolarHBondContact OD1-N 3.36Å; N402-R405 VanDerWaalsContact OD1-N 3.12Å; N402-S407 PolarHBondContact ND2-O 2.96Å; N402-D408 PolarHBondContact ND2-OD1 3.45Å; N402-E411 HydrophobicContact CB-CB 3.87Å; N402-E411 HydrophobicContact CB-CG 3.9Å; N402-E411 PolarHBondContact ND2-OE2 3.37Å
403	Y	76.9	Confident	87	Confident	2 Å²	2	45 Å²	45	1%	0.008	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-37.9	-179.1	-72.5	-73.7	0	0	0	113.1	R104 L136 Y398 I401 V447 P450 L456	R104-Y403 PolarHBondContact NH2-O 2.78Å; L136-Y403 HydrophobicContact CD1-CD1 4.34Å; Y398-Y403 HydrophobicContact CD2-CD2 4.1Å; Y398-Y403 HydrophobicContact CD2-CE2 4.36Å; Y398-Y403 HydrophobicContact CE2-CD2 4.14Å; I401-Y403 HydrophobicContact CB-CD2 4.3Å; I401-Y403 HydrophobicContact CB-CE2 3.98Å; I401-Y403 HydrophobicContact CD1-CE2 3.92Å; I401-Y403 HydrophobicContact CG2-CD1 3.99Å; I401-Y403 HydrophobicContact CG2-CD2 3.99Å; I401-Y403 HydrophobicContact CG2-CE1 3.69Å; I401-Y403 HydrophobicContact CG2-CE2 3.68Å; I401-Y403 HydrophobicContact CG2-CG 4.15Å; I401-Y403 PolarHBondContact O-N 2.83Å; Y403-V447 PolarHBondContact OH-O 2.91Å; Y403-P450 HydrophobicContact CD1-CB 4.1Å; Y403-P450 HydrophobicContact CD1-CG 4.22Å; Y403-P450 HydrophobicContact CE1-CB 3.71Å; Y403-P450 HydrophobicContact CE1-CG 3.99Å; Y403-L456 HydrophobicContact CE2-CD2 4.14Å
404	H	71.9	Confident	87	Confident	30 Å²	30	44.5 Å²	44.5	14%	0.139	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-18	-173.4	-59	-47.7	0	0	0	115.2	L136 Y398 N402 E406	L136-H404 WeakPolarHBondContact O-CA 3.35Å; L136-H404 PolarHBondContact O-ND1 2.71Å; Y398-H404 AromaticContact CZ-NE2 3.67Å; Y398-H404 PolarHBondContact OH-NE2 3.32Å; N402-H404 PolarHBondContact O-N 3.48Å; N402-H404 VanDerWaalsContact O-N 3.14Å; H404-E406 HydrophobicContact CB-CG 3.88Å; H404-E406 PolarHBondContact O-N 3.45Å
405	R	72.1	Confident	87.1	Confident	84 Å²	84	45 Å²	45	32%	0.317	22%	0.216	S	C	.	.			trans	55.2	36.2	-178	-54.5	-177.1	179.7	168.8	3.6	113.6	R104 N402	R104-R405 VanDerWaalsContact NE-NH2 3.19Å; N402-R405 PolarHBondContact O-N 3.35Å; N402-R405 WeakPolarHBondContact OD1-CA 3.43Å; N402-R405 PolarHBondContact OD1-N 3.36Å; N402-R405 VanDerWaalsContact OD1-N 3.12Å
406	E	68	Low	87.1	Confident	138 Å²	138	46.5 Å²	46.5	65%	0.645	23%	0.225	S	C	*	.	S	Bend	trans	-78.5	-34.6	178.3	-68.2	-179.6	171	0	0	111.4	P138 H404	P138-E406 WeakPolarHBondContact CD-OE1 3.48Å; P138-E406 WeakPolarHBondContact CG-OE1 3.49Å; H404-E406 HydrophobicContact CB-CG 3.88Å; H404-E406 PolarHBondContact O-N 3.45Å
407	S	75.2	Confident	87.3	Confident	55 Å²	55	45 Å²	45	39%	0.385	22%	0.219	S	C	.	.			trans	-156	124.7	179.3	164.3	0	0	0	0	110.5	N402 K409	N402-S407 PolarHBondContact ND2-O 2.96Å; S407-K409 PolarHBondContact O-N 2.59Å; S407-K409 WeakPolarHBondContact OG-CB 3.37Å; S407-K409 WeakPolarHBondContact OG-CG 3.35Å; S407-K409 PolarHBondContact OG-N 2.88Å
408	D	77.6	Confident	87.5	Confident	109 Å²	109	44.8 Å²	44.8	58%	0.583	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-78.4	-2.1	179.6	-55.8	-19.7	0	0	0	112.8	N402 E410 E411	N402-D408 PolarHBondContact ND2-OD1 3.45Å; D408-E410 VanDerWaalsContact C-N 3.26Å; D408-E410 PolarHBondContact O-N 2.7Å; D408-E411 PolarHBondContact O-N 3.11Å
409	K	82.6	Confident	87.9	Confident	184 Å²	184	42.5 Å²	42.5	80%	0.8	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-60.2	-32.1	-176.7	-66.3	-177.4	178.8	-177.5	0	114.3	S407	S407-K409 PolarHBondContact O-N 2.59Å; S407-K409 WeakPolarHBondContact OG-CB 3.37Å; S407-K409 WeakPolarHBondContact OG-CG 3.35Å; S407-K409 PolarHBondContact OG-N 2.88Å
410	E	85.9	Confident	88.2	Confident	85 Å²	85	42.5 Å²	42.5	40%	0.397	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-104.8	-8.7	-175.8	-68.3	-70.5	160.9	0	0	112.7	R396 R400 D408 S412	R396-E410 IonicContact CZ-OE2 3.07Å; R396-E410 IonicContact NH1-OE2 2.89Å; R396-E410 PolarHBondContact NH1-OE2 3.48Å; R400-E410 WeakPolarHBondContact CD-O 2.93Å; R400-E410 IonicContact CZ-OE2 2.67Å; R400-E410 PolarHBondContact NH1-O 3.17Å; R400-E410 IonicContact NH1-OE2 3.93Å; R400-E410 PolarHBondContact NH1-OE2 3.25Å; R400-E410 IonicContact NH2-OE2 3.96Å; D408-E410 VanDerWaalsContact C-N 3.26Å; D408-E410 PolarHBondContact O-N 2.7Å; E410-S412 PolarHBondContact O-N 3.05Å
411	E	92.5	Very high	88.4	Confident	50 Å²	50	42.1 Å²	42.1	23%	0.234	21%	0.205	C	C	.	.			trans	-69.1	130	-178.9	-171.7	-179.5	145.9	0	0	109.7	Q291 R400 N402 D408	Q291-E411 VanDerWaalsContact CB-O 3.3Å; Q291-E411 WeakPolarHBondContact CB-O 3.45Å; Q291-E411 WeakPolarHBondContact CG-O 3.42Å; Q291-E411 VanDerWaalsContact NE2-CD 3.32Å; Q291-E411 PolarHBondContact NE2-OE1 2.67Å; R400-E411 WeakPolarHBondContact O-CA 3.5Å; R400-E411 WeakPolarHBondContact O-CG 3.2Å; N402-E411 HydrophobicContact CB-CB 3.87Å; N402-E411 HydrophobicContact CB-CG 3.9Å; N402-E411 PolarHBondContact ND2-OE2 3.37Å; D408-E411 PolarHBondContact O-N 3.11Å
412	S	95.5	Very high	88.9	Confident	5 Å²	5	41.3 Å²	41.3	4%	0.035	20%	0.201	C	C	.	.			trans	-165.9	132.9	175.4	-175.2	0	0	0	0	111.5	P287 R400 E410 V414	P287-S412 WeakPolarHBondContact CA-OG 3.4Å; P287-S412 WeakPolarHBondContact O-CB 3.4Å; P287-S412 PolarHBondContact O-OG 3.4Å; R400-S412 PolarHBondContact O-N 3.3Å; E410-S412 PolarHBondContact O-N 3.05Å; S412-V414 PolarHBondContact O-N 3.44Å; S412-V414 WeakPolarHBondContact OG-CG2 3.39Å
413	P	96.4	Very high	89.5	Confident	21 Å²	21	44.4 Å²	44.4	14%	0.136	21%	0.212	C	C	.	.			trans	-84.2	47.5	-177.6	37.6	-39.6	0	0	0	111.4	I290 H294 W325 F415 L416 L417	I290-P413 HydrophobicContact CG2-CG 3.89Å; H294-P413 HydrophobicContact CB-CG 3.48Å; H294-P413 VanDerWaalsContact CB-CG 3.48Å; W325-P413 HydrophobicContact CH2-CG 4.12Å; W325-P413 HydrophobicContact CZ3-CG 4.06Å; P413-F415 VanDerWaalsContact C-N 3.26Å; P413-F415 PolarHBondContact O-N 3.38Å; P413-L416 HydrophobicContact CB-CB 4.03Å; P413-L416 HydrophobicContact CB-CD2 4.21Å; P413-L416 PolarHBondContact O-N 2.78Å; P413-L416 VanDerWaalsContact O-N 3.13Å; P413-L417 PolarHBondContact O-N 3.19Å
414	V	98	Very high	90.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.5	-41.9	-179.5	-177.7	0	0	0	0	111.3	I290 D359 M360 V363 W390 S412 L417 F418	I290-V414 HydrophobicContact CD1-CG2 4.13Å; D359-V414 HydrophobicContact CB-CG1 4.19Å; D359-V414 HydrophobicContact CB-CG2 4.46Å; M360-V414 HydrophobicContact CE-CG1 4.39Å; V363-V414 HydrophobicContact CG2-CG1 3.73Å; W390-V414 HydrophobicContact CH2-CG1 4.21Å; W390-V414 HydrophobicContact CZ3-CG1 4.2Å; S412-V414 PolarHBondContact O-N 3.44Å; S412-V414 WeakPolarHBondContact OG-CG2 3.39Å; V414-L417 WeakPolarHBondContact O-CB 3.43Å; V414-L417 PolarHBondContact O-N 3.36Å; V414-F418 PolarHBondContact O-N 3.01Å; V414-F418 VanDerWaalsContact O-N 3.1Å
415	F	98.3	Very high	91.7	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.039	22%	0.215	C	C	.	.	H	α-helix	trans	-69.1	-38.1	178.4	-171.6	-114.9	0	0	0	112.5	V386 W390 F397 P413 L417 F418 L419 L443 V447 F455	V386-F415 HydrophobicContact CG1-CE2 3.89Å; V386-F415 HydrophobicContact CG1-CZ 3.78Å; V386-F415 HydrophobicContact CG2-CE2 4.23Å; V386-F415 HydrophobicContact CG2-CZ 4.19Å; W390-F415 AromaticContact CD2-CD2 3.59Å; W390-F415 HydrophobicContact CD2-CD2 3.59Å; W390-F415 AromaticContact CD2-CE2 3.87Å; W390-F415 HydrophobicContact CD2-CE2 3.87Å; W390-F415 AromaticContact CE2-CD2 3.84Å; W390-F415 HydrophobicContact CE3-CB 4.4Å; W390-F415 AromaticContact CE3-CD2 3.49Å; W390-F415 HydrophobicContact CE3-CD2 3.49Å; W390-F415 VanDerWaalsContact CE3-CD2 3.49Å; W390-F415 HydrophobicContact CE3-CE2 4.22Å; W390-F415 HydrophobicContact CE3-CG 4.37Å; W390-F415 HydrophobicContact CG-CD2 4.29Å; W390-F415 HydrophobicContact CG-CE2 4.13Å; W390-F415 HydrophobicContact CH2-CB 4.43Å; W390-F415 AromaticContact CH2-CD2 3.88Å; W390-F415 HydrophobicContact CH2-CD2 3.88Å; W390-F415 AromaticContact CZ2-CD2 4Å; W390-F415 HydrophobicContact CZ2-CD2 4Å; W390-F415 HydrophobicContact CZ3-CB 3.96Å; W390-F415 AromaticContact CZ3-CD2 3.64Å; W390-F415 HydrophobicContact CZ3-CD2 3.64Å; W390-F415 HydrophobicContact CZ3-CG 4.3Å; F397-F415 HydrophobicContact CE1-CB 4.08Å; F397-F415 HydrophobicContact CE1-CD1 4.04Å; F397-F415 HydrophobicContact CE1-CD2 4.09Å; F397-F415 HydrophobicContact CE1-CE1 4.48Å; F397-F415 AromaticContact CE1-CG 3.8Å; F397-F415 HydrophobicContact CE1-CG 3.8Å; F397-F415 HydrophobicContact CZ-CD2 4.14Å; F397-F415 HydrophobicContact CZ-CE2 4.34Å; F397-F415 HydrophobicContact CZ-CG 4.32Å; P413-F415 VanDerWaalsContact C-N 3.26Å; P413-F415 PolarHBondContact O-N 3.38Å; F415-L417 VanDerWaalsContact C-N 3.34Å; F415-F418 AromaticContact CD2-CD1 3.96Å; F415-F418 HydrophobicContact CD2-CD1 3.96Å; F415-F418 AromaticContact CE2-CD1 3.8Å; F415-F418 HydrophobicContact CE2-CD1 3.8Å; F415-F418 HydrophobicContact CE2-CE1 4.08Å; F415-F418 WeakPolarHBondContact O-CB 3.44Å; F415-F418 PolarHBondContact O-N 2.86Å; F415-L419 HydrophobicContact CD1-CD1 4.07Å; F415-L419 HydrophobicContact CD1-CG 4.37Å; F415-L419 HydrophobicContact CE1-CD1 3.82Å; F415-L419 HydrophobicContact CE1-CD2 4.29Å; F415-L419 HydrophobicContact CE1-CG 4.16Å; F415-L419 HydrophobicContact CZ-CD1 4.47Å; F415-L419 HydrophobicContact CZ-CD2 4.12Å; F415-L419 HydrophobicContact CZ-CG 4.41Å; F415-L419 WeakPolarHBondContact O-CG 3.45Å; F415-L419 PolarHBondContact O-N 2.83Å; F415-L443 HydrophobicContact CE1-CD2 4.33Å; F415-L443 HydrophobicContact CE1-CG 4.08Å; F415-L443 HydrophobicContact CZ-CD2 3.99Å; F415-L443 HydrophobicContact CZ-CG 4.21Å; F415-V447 HydrophobicContact CD1-CG2 3.6Å; F415-V447 HydrophobicContact CE1-CG2 3.59Å; F415-F455 HydrophobicContact CE1-CZ 4.43Å; F415-F455 HydrophobicContact CZ-CZ 4.47Å
416	L	97.7	Very high	92.8	Very high	36 Å²	36	42.9 Å²	42.9	19%	0.188	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-40.9	172.8	168.7	62.5	0	0	0	111	W325 P413 F418 L419 D420	W325-L416 HydrophobicContact CH2-CD2 4.46Å; W325-L416 HydrophobicContact CH2-CG 4.34Å; W325-L416 HydrophobicContact CZ2-CD2 4.47Å; W325-L416 HydrophobicContact CZ2-CG 4.19Å; P413-L416 HydrophobicContact CB-CB 4.03Å; P413-L416 HydrophobicContact CB-CD2 4.21Å; P413-L416 PolarHBondContact O-N 2.78Å; P413-L416 VanDerWaalsContact O-N 3.13Å; L416-F418 VanDerWaalsContact C-N 3.25Å; L416-F418 PolarHBondContact O-N 2.76Å; L416-L419 PolarHBondContact O-N 2.82Å; L416-L419 VanDerWaalsContact O-N 3.1Å; L416-D420 WeakPolarHBondContact O-CB 3.46Å; L416-D420 PolarHBondContact O-N 3.38Å
417	L	98.3	Very high	94.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.1	-40	174.9	-176.3	65.3	0	0	0	111.7	I290 W325 I329 I332 M360 P413 V414 F415 C421	I290-L417 HydrophobicContact CD1-CD2 3.81Å; I290-L417 HydrophobicContact CG1-CD2 3.9Å; I290-L417 HydrophobicContact CG2-CB 4.46Å; I290-L417 HydrophobicContact CG2-CD2 4.02Å; W325-L417 HydrophobicContact CD2-CD1 4.38Å; W325-L417 HydrophobicContact CE3-CD1 4.39Å; W325-L417 HydrophobicContact CH2-CB 3.79Å; W325-L417 HydrophobicContact CH2-CD1 3.88Å; W325-L417 HydrophobicContact CH2-CG 4.42Å; W325-L417 HydrophobicContact CZ2-CB 4.2Å; W325-L417 HydrophobicContact CZ2-CD1 3.85Å; W325-L417 HydrophobicContact CZ3-CB 4.48Å; W325-L417 HydrophobicContact CZ3-CD1 4.15Å; I329-L417 HydrophobicContact CG1-CD1 3.69Å; I332-L417 HydrophobicContact CD1-CD1 4.43Å; I332-L417 HydrophobicContact CD1-CD2 3.29Å; I332-L417 HydrophobicContact CD1-CG 3.83Å; M360-L417 HydrophobicContact CE-CD2 4.37Å; P413-L417 PolarHBondContact O-N 3.19Å; V414-L417 WeakPolarHBondContact O-CB 3.43Å; V414-L417 PolarHBondContact O-N 3.36Å; F415-L417 VanDerWaalsContact C-N 3.34Å; L417-C421 PolarHBondContact O-N 2.9Å; L417-C421 PolarHBondContact O-SG 3.45Å
418	F	98.8	Very high	95.1	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-48.3	171.5	161.2	-108.2	0	0	0	112.4	V363 L367 F382 V386 W390 V414 F415 L416 D420 C421 V422	V363-F418 HydrophobicContact CG1-CB 4.36Å; V363-F418 HydrophobicContact CG2-CB 4.34Å; L367-F418 HydrophobicContact CD2-CD2 4.08Å; L367-F418 HydrophobicContact CD2-CE2 4.09Å; L367-F418 HydrophobicContact CG-CD2 4.05Å; L367-F418 HydrophobicContact CG-CE2 4.23Å; F382-F418 HydrophobicContact CE1-CE1 4.43Å; F382-F418 HydrophobicContact CE2-CE1 4.36Å; F382-F418 AromaticContact CE2-CZ 3.89Å; F382-F418 HydrophobicContact CE2-CZ 3.89Å; F382-F418 AromaticContact CZ-CE1 3.69Å; F382-F418 HydrophobicContact CZ-CE1 3.69Å; F382-F418 AromaticContact CZ-CZ 3.69Å; F382-F418 HydrophobicContact CZ-CZ 3.69Å; V386-F418 HydrophobicContact CG2-CE1 4.33Å; W390-F418 AromaticContact CE2-CD1 3.97Å; W390-F418 HydrophobicContact CH2-CB 3.68Å; W390-F418 HydrophobicContact CH2-CD1 4.42Å; W390-F418 HydrophobicContact CH2-CG 4.14Å; W390-F418 HydrophobicContact CZ2-CB 3.47Å; W390-F418 VanDerWaalsContact CZ2-CB 3.47Å; W390-F418 AromaticContact CZ2-CD1 3.63Å; W390-F418 HydrophobicContact CZ2-CD1 3.63Å; W390-F418 HydrophobicContact CZ2-CD2 4Å; W390-F418 HydrophobicContact CZ2-CE1 4.37Å; W390-F418 AromaticContact CZ2-CG 3.41Å; W390-F418 HydrophobicContact CZ2-CG 3.41Å; W390-F418 VanDerWaalsContact CZ2-CG 3.41Å; V414-F418 PolarHBondContact O-N 3.01Å; V414-F418 VanDerWaalsContact O-N 3.1Å; F415-F418 AromaticContact CD2-CD1 3.96Å; F415-F418 HydrophobicContact CD2-CD1 3.96Å; F415-F418 AromaticContact CE2-CD1 3.8Å; F415-F418 HydrophobicContact CE2-CD1 3.8Å; F415-F418 HydrophobicContact CE2-CE1 4.08Å; F415-F418 WeakPolarHBondContact O-CB 3.44Å; F415-F418 PolarHBondContact O-N 2.86Å; L416-F418 VanDerWaalsContact C-N 3.25Å; L416-F418 PolarHBondContact O-N 2.76Å; F418-D420 VanDerWaalsContact C-N 3.27Å; F418-D420 PolarHBondContact O-N 3.45Å; F418-C421 WeakPolarHBondContact O-CB 3.4Å; F418-C421 PolarHBondContact O-N 3.33Å; F418-V422 HydrophobicContact CD2-CG2 4.06Å; F418-V422 HydrophobicContact CE1-CG2 4.33Å; F418-V422 HydrophobicContact CE2-CG2 3.52Å; F418-V422 HydrophobicContact CZ-CG2 3.68Å; F418-V422 WeakPolarHBondContact O-CG2 3.3Å; F418-V422 PolarHBondContact O-N 3.07Å
419	L	98.6	Very high	95.9	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-37.9	178.6	-64.9	-179.4	0	0	0	111.9	F382 F415 L416 V422 W423 L440 L443 H444	F382-L419 HydrophobicContact CE1-CD2 4.27Å; F382-L419 HydrophobicContact CZ-CD2 4.15Å; F415-L419 HydrophobicContact CD1-CD1 4.07Å; F415-L419 HydrophobicContact CD1-CG 4.37Å; F415-L419 HydrophobicContact CE1-CD1 3.82Å; F415-L419 HydrophobicContact CE1-CD2 4.29Å; F415-L419 HydrophobicContact CE1-CG 4.16Å; F415-L419 HydrophobicContact CZ-CD1 4.47Å; F415-L419 HydrophobicContact CZ-CD2 4.12Å; F415-L419 HydrophobicContact CZ-CG 4.41Å; F415-L419 WeakPolarHBondContact O-CG 3.45Å; F415-L419 PolarHBondContact O-N 2.83Å; L416-L419 PolarHBondContact O-N 2.82Å; L416-L419 VanDerWaalsContact O-N 3.1Å; L419-V422 PolarHBondContact O-N 2.77Å; L419-W423 PolarHBondContact O-N 3.16Å; L419-L440 HydrophobicContact CD2-CD2 4.21Å; L419-L443 HydrophobicContact CD1-CG 4.48Å; L419-L443 HydrophobicContact CD2-CD2 3.93Å; L419-H444 HydrophobicContact CD1-CB 3.87Å
420	D	98.5	Very high	96.4	Very high	37 Å²	37	34.1 Å²	34.1	20%	0.198	16%	0.162	C	C	.	.	H	α-helix	trans	-66.8	-41.6	176.1	-156.7	-15.2	0	0	0	111.3	W325 I329 L416 F418 V422 W423 H424	W325-D420 PolarHBondContact NE1-OD2 3.29Å; I329-D420 HydrophobicContact CD1-CB 3.97Å; I329-D420 VanDerWaalsContact CD1-CG 3.43Å; I329-D420 WeakPolarHBondContact CD1-OD2 3.31Å; L416-D420 WeakPolarHBondContact O-CB 3.46Å; L416-D420 PolarHBondContact O-N 3.38Å; F418-D420 VanDerWaalsContact C-N 3.27Å; F418-D420 PolarHBondContact O-N 3.45Å; D420-V422 VanDerWaalsContact C-N 3.31Å; D420-V422 PolarHBondContact O-N 3.08Å; D420-W423 WeakPolarHBondContact O-CB 3.09Å; D420-W423 PolarHBondContact O-N 3.23Å; D420-W423 VanDerWaalsContact O-N 3.15Å; D420-H424 PolarHBondContact O-CD2 3.23Å; D420-H424 VanDerWaalsContact O-CD2 3.27Å; D420-H424 PolarHBondContact O-N 3.07Å; D420-H424 IonicContact OD1-CD2 3.61Å; D420-H424 PolarHBondContact OD1-CD2 3.37Å; D420-H424 IonicContact OD1-NE2 3.37Å
421	C	98.8	Very high	96.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.5	-42.1	171	-69.1	0	0	0	0	112.1	L333 L367 L417 F418 H424 L425	L333-C421 HydrophobicContact CD2-CB 3.94Å; L333-C421 HydrophobicContact CG-CB 4.23Å; L367-C421 HydrophobicContact CD1-CB 3.81Å; L367-C421 HydrophobicContact CD2-CB 3.7Å; L367-C421 HydrophobicContact CG-CB 4.38Å; L417-C421 PolarHBondContact O-N 2.9Å; L417-C421 PolarHBondContact O-SG 3.45Å; F418-C421 WeakPolarHBondContact O-CB 3.4Å; F418-C421 PolarHBondContact O-N 3.33Å; C421-H424 PolarHBondContact O-N 3.04Å; C421-L425 WeakPolarHBondContact O-CG 3.41Å; C421-L425 PolarHBondContact O-N 2.85Å; C421-L425 VanDerWaalsContact O-N 3.14Å
422	V	98.8	Very high	96.7	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-65.8	-40.6	175.3	175.7	0	0	0	0	110.9	L367 F382 F418 L419 D420 H424 L425 W426 F433 L440	L367-V422 HydrophobicContact CD2-CG2 3.95Å; F382-V422 HydrophobicContact CE2-CB 4.49Å; F382-V422 HydrophobicContact CE2-CG1 3.87Å; F382-V422 HydrophobicContact CE2-CG2 3.95Å; F382-V422 HydrophobicContact CZ-CG1 4.23Å; F382-V422 HydrophobicContact CZ-CG2 4.17Å; F418-V422 HydrophobicContact CD2-CG2 4.06Å; F418-V422 HydrophobicContact CE1-CG2 4.33Å; F418-V422 HydrophobicContact CE2-CG2 3.52Å; F418-V422 HydrophobicContact CZ-CG2 3.68Å; F418-V422 WeakPolarHBondContact O-CG2 3.3Å; F418-V422 PolarHBondContact O-N 3.07Å; L419-V422 PolarHBondContact O-N 2.77Å; D420-V422 VanDerWaalsContact C-N 3.31Å; D420-V422 PolarHBondContact O-N 3.08Å; V422-H424 VanDerWaalsContact C-N 3.33Å; V422-H424 PolarHBondContact O-N 2.85Å; V422-L425 WeakPolarHBondContact O-CB 3.18Å; V422-L425 PolarHBondContact O-N 3.13Å; V422-L425 VanDerWaalsContact O-N 3.14Å; V422-W426 WeakPolarHBondContact O-CB 3.15Å; V422-W426 PolarHBondContact O-N 2.87Å; V422-F433 HydrophobicContact CG1-CE1 4.27Å; V422-L440 HydrophobicContact CG1-CD1 4.15Å; V422-L440 HydrophobicContact CG1-CD2 4.04Å
423	W	98.3	Very high	96.7	Very high	82 Å²	82	34.2 Å²	34.2	31%	0.311	17%	0.167	S	C	.	.	H	α-helix	trans	-60.1	-42.5	174.8	-179.8	87.2	0	0	0	111.5	L419 D420 L425 W426 F427 L440	L419-W423 PolarHBondContact O-N 3.16Å; D420-W423 WeakPolarHBondContact O-CB 3.09Å; D420-W423 PolarHBondContact O-N 3.23Å; D420-W423 VanDerWaalsContact O-N 3.15Å; W423-L425 VanDerWaalsContact C-N 3.3Å; W423-L425 PolarHBondContact O-N 2.8Å; W423-W426 WeakPolarHBondContact O-CB 3.43Å; W423-W426 PolarHBondContact O-N 3.44Å; W423-F427 HydrophobicContact CH2-CB 4.3Å; W423-F427 AromaticContact CH2-CD2 3.93Å; W423-F427 HydrophobicContact CH2-CD2 3.93Å; W423-F427 HydrophobicContact CH2-CE2 4.47Å; W423-F427 HydrophobicContact CH2-CG 4.05Å; W423-F427 HydrophobicContact CZ2-CB 4.33Å; W423-F427 AromaticContact CZ2-CD2 3.8Å; W423-F427 HydrophobicContact CZ2-CD2 3.8Å; W423-F427 HydrophobicContact CZ2-CE2 4.48Å; W423-F427 HydrophobicContact CZ2-CG 4.23Å; W423-F427 HydrophobicContact CZ3-CB 4.42Å; W423-F427 VanDerWaalsContact O-CB 3.31Å; W423-F427 WeakPolarHBondContact O-CB 3.26Å; W423-F427 PolarHBondContact O-N 3.05Å; W423-L440 HydrophobicContact CB-CD1 3.88Å
424	H	98	Very high	96.7	Very high	44 Å²	44	36.3 Å²	36.3	20%	0.204	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-33.3	174.8	-85.9	-75.1	0	0	0	113.4	L333 D420 C421 V422 Q428	L333-H424 HydrophobicContact CD1-CB 4.07Å; D420-H424 PolarHBondContact O-CD2 3.23Å; D420-H424 VanDerWaalsContact O-CD2 3.27Å; D420-H424 PolarHBondContact O-N 3.07Å; D420-H424 IonicContact OD1-CD2 3.61Å; D420-H424 PolarHBondContact OD1-CD2 3.37Å; D420-H424 IonicContact OD1-NE2 3.37Å; C421-H424 PolarHBondContact O-N 3.04Å; V422-H424 VanDerWaalsContact C-N 3.33Å; V422-H424 PolarHBondContact O-N 2.85Å; H424-Q428 WeakPolarHBondContact O-CG 3.33Å; H424-Q428 PolarHBondContact O-N 3.15Å; H424-Q428 PolarHBondContact O-NE2 2.95Å
425	L	97.4	Very high	96.6	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-70.3	-45.2	172.3	-68.1	-179.3	0	0	0	111.4	L333 L367 V370 M371 C421 V422 W423 Q428 F429 F433 I564	L333-L425 HydrophobicContact CD2-CD1 4.34Å; L333-L425 HydrophobicContact CD2-CD2 4.03Å; L333-L425 HydrophobicContact CD2-CG 4.02Å; L367-L425 HydrophobicContact CD2-CD1 4.2Å; V370-L425 HydrophobicContact CG1-CD1 4.03Å; M371-L425 HydrophobicContact CE-CD1 4.07Å; M371-L425 HydrophobicContact CE-CD2 4.09Å; M371-L425 HydrophobicContact CG-CD1 3.95Å; C421-L425 WeakPolarHBondContact O-CG 3.41Å; C421-L425 PolarHBondContact O-N 2.85Å; C421-L425 VanDerWaalsContact O-N 3.14Å; V422-L425 WeakPolarHBondContact O-CB 3.18Å; V422-L425 PolarHBondContact O-N 3.13Å; V422-L425 VanDerWaalsContact O-N 3.14Å; W423-L425 VanDerWaalsContact C-N 3.3Å; W423-L425 PolarHBondContact O-N 2.8Å; L425-Q428 PolarHBondContact O-N 3.1Å; L425-F429 WeakPolarHBondContact O-CD2 3.25Å; L425-F429 PolarHBondContact O-N 3.12Å; L425-F433 HydrophobicContact CB-CE2 4.2Å; L425-F433 HydrophobicContact CB-CZ 3.87Å; L425-I564 HydrophobicContact CD2-CD1 3.62Å
426	W	96	Very high	96.5	Very high	37 Å²	37	36.5 Å²	36.5	14%	0.14	18%	0.177	C	C	.	.	H	α-helix	trans	-59.2	-47.1	175.8	175.4	90.9	0	0	0	111.4	V422 W423 Q428 F429 P430 F433 L435 D437	V422-W426 WeakPolarHBondContact O-CB 3.15Å; V422-W426 PolarHBondContact O-N 2.87Å; W423-W426 WeakPolarHBondContact O-CB 3.43Å; W423-W426 PolarHBondContact O-N 3.44Å; W426-Q428 VanDerWaalsContact C-N 3.29Å; W426-Q428 PolarHBondContact O-N 2.67Å; W426-F429 CarbonylContact O-C 3.53Å; W426-F429 VanDerWaalsContact O-C 3.23Å; W426-F429 PolarHBondContact O-N 3.02Å; W426-F429 VanDerWaalsContact O-N 3.16Å; W426-P430 WeakPolarHBondContact O-CA 3.32Å; W426-P430 VanDerWaalsContact O-CD 3.27Å; W426-P430 WeakPolarHBondContact O-CD 3.3Å; W426-F433 HydrophobicContact CB-CD2 4.33Å; W426-F433 HydrophobicContact CB-CG 4.38Å; W426-F433 AromaticContact CD1-CG 3.88Å; W426-L435 PolarHBondContact NE1-O 3.44Å; W426-D437 HydrophobicContact CH2-CB 4.3Å; W426-D437 HydrophobicContact CZ3-CB 4.18Å
427	F	95.6	Very high	96.4	Very high	129 Å²	129	36.1 Å²	36.1	57%	0.566	18%	0.175	S	C	*	.	H	α-helix	trans	-61.6	-37.3	-179.6	-176.2	-96.1	0	0	0	112.2	W423	W423-F427 HydrophobicContact CH2-CB 4.3Å; W423-F427 AromaticContact CH2-CD2 3.93Å; W423-F427 HydrophobicContact CH2-CD2 3.93Å; W423-F427 HydrophobicContact CH2-CE2 4.47Å; W423-F427 HydrophobicContact CH2-CG 4.05Å; W423-F427 HydrophobicContact CZ2-CB 4.33Å; W423-F427 AromaticContact CZ2-CD2 3.8Å; W423-F427 HydrophobicContact CZ2-CD2 3.8Å; W423-F427 HydrophobicContact CZ2-CE2 4.48Å; W423-F427 HydrophobicContact CZ2-CG 4.23Å; W423-F427 HydrophobicContact CZ3-CB 4.42Å; W423-F427 VanDerWaalsContact O-CB 3.31Å; W423-F427 WeakPolarHBondContact O-CB 3.26Å; W423-F427 PolarHBondContact O-N 3.05Å
428	Q	95	Very high	96.2	Very high	89 Å²	89	39.4 Å²	39.4	42%	0.416	19%	0.193	S	C	.	.	H	α-helix	trans	-76.8	-30.9	176.8	-74.1	176.1	71.4	0	0	113.2	H424 L425 W426	H424-Q428 WeakPolarHBondContact O-CG 3.33Å; H424-Q428 PolarHBondContact O-N 3.15Å; H424-Q428 PolarHBondContact O-NE2 2.95Å; L425-Q428 PolarHBondContact O-N 3.1Å; W426-Q428 VanDerWaalsContact C-N 3.29Å; W426-Q428 PolarHBondContact O-N 2.67Å
429	F	94.1	Very high	96.1	Very high	28 Å²	28	39.4 Å²	39.4	12%	0.123	19%	0.193	C	C	.	.			trans	-135.2	57.2	-173.5	-54	-76.8	0	0	0	112.5	L425 W426 S431 R432 F433 I564 Q565	L425-F429 WeakPolarHBondContact O-CD2 3.25Å; L425-F429 PolarHBondContact O-N 3.12Å; W426-F429 CarbonylContact O-C 3.53Å; W426-F429 VanDerWaalsContact O-C 3.23Å; W426-F429 PolarHBondContact O-N 3.02Å; W426-F429 VanDerWaalsContact O-N 3.16Å; F429-S431 VanDerWaalsContact C-N 3.27Å; F429-S431 PolarHBondContact O-N 2.78Å; F429-R432 HydrophobicContact CB-CB 4.21Å; F429-R432 HydrophobicContact CB-CG 4.07Å; F429-R432 WeakPolarHBondContact O-CB 3.24Å; F429-R432 PolarHBondContact O-N 2.88Å; F429-F433 WeakPolarHBondContact O-CD2 3.28Å; F429-I564 HydrophobicContact CB-CG2 4.13Å; F429-I564 HydrophobicContact CD1-CB 4.45Å; F429-I564 HydrophobicContact CD1-CG2 3.81Å; F429-I564 HydrophobicContact CD2-CB 4.04Å; F429-I564 HydrophobicContact CD2-CD1 3.5Å; F429-I564 HydrophobicContact CD2-CG1 4.36Å; F429-I564 HydrophobicContact CD2-CG2 3.74Å; F429-I564 HydrophobicContact CE1-CB 4.27Å; F429-I564 HydrophobicContact CE1-CG2 4.11Å; F429-I564 HydrophobicContact CE2-CB 3.86Å; F429-I564 HydrophobicContact CE2-CD1 3.55Å; F429-I564 HydrophobicContact CE2-CG1 4.23Å; F429-I564 HydrophobicContact CE2-CG2 4.06Å; F429-I564 HydrophobicContact CG-CB 4.33Å; F429-I564 HydrophobicContact CG-CD1 4.43Å; F429-I564 HydrophobicContact CG-CG2 3.61Å; F429-I564 HydrophobicContact CZ-CB 3.97Å; F429-I564 HydrophobicContact CZ-CD1 4.48Å; F429-I564 HydrophobicContact CZ-CG2 4.23Å; F429-Q565 HydrophobicContact CE1-CG 4.27Å
430	P	93	Very high	96	Very high	56 Å²	56	39.7 Å²	39.7	36%	0.364	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-60.1	-38.6	-169.5	21.5	-33.1	0	0	0	112	W426 R432 F433 Q535	W426-P430 WeakPolarHBondContact O-CA 3.32Å; W426-P430 VanDerWaalsContact O-CD 3.27Å; W426-P430 WeakPolarHBondContact O-CD 3.3Å; P430-R432 PolarHBondContact O-N 3.18Å; P430-F433 PolarHBondContact O-N 3.35Å; P430-F433 VanDerWaalsContact O-N 3.11Å; P430-Q535 PolarHBondContact O-NE2 2.78Å
431	S	92.1	Very high	95.8	Very high	77 Å²	77	41.7 Å²	41.7	54%	0.538	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-67.3	-7.6	178.9	61.3	0	0	0	0	115.2	F429 V537	F429-S431 VanDerWaalsContact C-N 3.27Å; F429-S431 PolarHBondContact O-N 2.78Å; S431-V537 WeakPolarHBondContact O-CG1 3.42Å
432	R	93.7	Very high	95.6	Very high	64 Å²	64	41.9 Å²	41.9	24%	0.242	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-94.4	-7.2	176	-63.6	-61.5	-162	106.4	16.6	112.9	R377 F429 P430 M540 I564 I567	R377-R432 WeakPolarHBondContact CD-O 3.32Å; F429-R432 HydrophobicContact CB-CB 4.21Å; F429-R432 HydrophobicContact CB-CG 4.07Å; F429-R432 WeakPolarHBondContact O-CB 3.24Å; F429-R432 PolarHBondContact O-N 2.88Å; P430-R432 PolarHBondContact O-N 3.18Å; R432-M540 PolarHBondContact NH1-SD 3.25Å; R432-I564 HydrophobicContact CG-CG2 4.36Å; R432-I564 PolarHBondContact NH2-O 3.21Å; R432-I567 PolarHBondContact NH1-OXT 2.92Å; R432-I567 PolarHBondContact NH2-OXT 3.42Å
433	F	96	Very high	95.5	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	21%	0.206	C	C	.	.			trans	-115.9	131.9	-177.6	-74.6	-99.7	0	0	0	110.9	V370 R377 V422 L425 W426 F429 P430 L435 Q535	V370-F433 HydrophobicContact CG1-CE1 3.69Å; V370-F433 HydrophobicContact CG1-CZ 3.72Å; R377-F433 HydrophobicContact CB-CD1 3.84Å; R377-F433 HydrophobicContact CB-CE1 4.18Å; R377-F433 HydrophobicContact CB-CG 4.27Å; R377-F433 HydrophobicContact CG-CD1 4.02Å; R377-F433 HydrophobicContact CG-CE1 3.85Å; R377-F433 HydrophobicContact CG-CZ 4.22Å; V422-F433 HydrophobicContact CG1-CE1 4.27Å; L425-F433 HydrophobicContact CB-CE2 4.2Å; L425-F433 HydrophobicContact CB-CZ 3.87Å; W426-F433 HydrophobicContact CB-CD2 4.33Å; W426-F433 HydrophobicContact CB-CG 4.38Å; W426-F433 AromaticContact CD1-CG 3.88Å; F429-F433 WeakPolarHBondContact O-CD2 3.28Å; P430-F433 PolarHBondContact O-N 3.35Å; P430-F433 VanDerWaalsContact O-N 3.11Å; F433-L435 VanDerWaalsContact C-N 3.31Å; F433-Q535 WeakPolarHBondContact O-CG 3.45Å; F433-Q535 PolarHBondContact O-NE2 2.9Å
434	Q	96.6	Very high	95.3	Very high	64 Å²	64	38.9 Å²	38.9	30%	0.299	20%	0.195	S	C	.	.	S	Bend	trans	-74.4	-30.3	165	-166.6	-168.6	17.9	0	0	110.3	R377 V534 Q535 V537	R377-Q434 WeakPolarHBondContact O-CB 3.25Å; R377-Q434 PolarHBondContact O-N 3.43Å; Q434-V534 HydrophobicContact CG-CB 4.1Å; Q434-V534 HydrophobicContact CG-CG1 4.13Å; Q434-V534 CarbonylContact O-C 3.21Å; Q434-V534 WeakPolarHBondContact O-CA 3.49Å; Q434-Q535 PolarHBondContact O-N 3.16Å; Q434-V537 HydrophobicContact CB-CG2 3.65Å; Q434-V537 HydrophobicContact CG-CG2 4.21Å; Q434-V537 VanDerWaalsContact N-CG2 3.3Å
435	L	95.8	Very high	95	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-68.1	151.9	179.1	-52.1	174.9	0	0	0	111.4	Q379 F382 W426 F433 F439	Q379-L435 VanDerWaalsContact CA-CD2 3.49Å; Q379-L435 HydrophobicContact CB-CD2 4.16Å; F382-L435 HydrophobicContact CB-CD1 3.66Å; F382-L435 HydrophobicContact CB-CD2 4.37Å; F382-L435 HydrophobicContact CD1-CD1 4.2Å; F382-L435 HydrophobicContact CD2-CD1 3.67Å; F382-L435 HydrophobicContact CE2-CD1 4.34Å; F382-L435 HydrophobicContact CG-CD1 3.57Å; W426-L435 PolarHBondContact NE1-O 3.44Å; F433-L435 VanDerWaalsContact C-N 3.31Å; L435-F439 HydrophobicContact CB-CD1 4.4Å; L435-F439 HydrophobicContact CD1-CD1 4.21Å; L435-F439 HydrophobicContact CD1-CE1 4.23Å; L435-F439 HydrophobicContact CD2-CD1 3.74Å; L435-F439 HydrophobicContact CD2-CE1 3.86Å; L435-F439 HydrophobicContact CD2-CG 4.1Å; L435-F439 HydrophobicContact CD2-CZ 4.32Å; L435-F439 HydrophobicContact CG-CD1 4.33Å
436	T	95.9	Very high	94.7	Very high	12 Å²	12	37.7 Å²	37.7	7%	0.074	19%	0.191	C	C	.	.			trans	-109.6	172.6	168.1	63.5	0	0	0	0	111.1	D438 F439 G532 F533 Q535	T436-D438 VanDerWaalsContact C-N 3.27Å; T436-D438 PolarHBondContact O-N 3.12Å; T436-D438 PolarHBondContact OG1-N 3.01Å; T436-F439 PolarHBondContact O-N 3.14Å; T436-F439 PolarHBondContact OG1-N 3.48Å; T436-G532 WeakPolarHBondContact CB-O 3.18Å; T436-G532 VanDerWaalsContact CG2-O 3.3Å; T436-G532 WeakPolarHBondContact CG2-O 3.48Å; T436-G532 PolarHBondContact OG1-O 2.99Å; T436-F533 PolarHBondContact N-O 3.39Å; T436-F533 VanDerWaalsContact N-O 3.09Å; T436-F533 VanDerWaalsContact OG1-C 3.3Å; T436-F533 WeakPolarHBondContact OG1-CA 3.45Å; T436-F533 PolarHBondContact OG1-O 3.3Å; T436-Q535 HydrophobicContact CG2-CB 3.97Å; T436-Q535 HydrophobicContact CG2-CG 4.14Å
437	D	94.2	Very high	94.4	Very high	27 Å²	27	36.4 Å²	36.4	14%	0.144	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-30.9	170.8	63.6	-48.2	0	0	0	112.5	R26 W426 F439 L440 L441	R26-D437 IonicContact CZ-OD2 3.35Å; R26-D437 VanDerWaalsContact CZ-OD2 3.24Å; R26-D437 IonicContact NH1-OD2 3.36Å; R26-D437 PolarHBondContact NH1-OD2 3.06Å; R26-D437 IonicContact NH2-OD2 3.76Å; R26-D437 PolarHBondContact NH2-OD2 3.2Å; W426-D437 HydrophobicContact CH2-CB 4.3Å; W426-D437 HydrophobicContact CZ3-CB 4.18Å; D437-F439 VanDerWaalsContact C-N 3.3Å; D437-F439 PolarHBondContact O-N 3.42Å; D437-L440 PolarHBondContact O-N 3.35Å; D437-L440 VanDerWaalsContact O-N 3.16Å; D437-L441 WeakPolarHBondContact O-CG 3.23Å; D437-L441 PolarHBondContact O-N 2.76Å
438	D	94.7	Very high	94	Very high	70 Å²	70	31.6 Å²	31.6	37%	0.374	17%	0.166	S	C	.	.	H	α-helix	trans	-61.5	-36.2	175.4	-72.6	-25.9	0	0	0	112.4	R26 T436 A442 F533	R26-D438 IonicContact NH1-OD1 3.87Å; R26-D438 PolarHBondContact NH1-OD1 3.29Å; T436-D438 VanDerWaalsContact C-N 3.27Å; T436-D438 PolarHBondContact O-N 3.12Å; T436-D438 PolarHBondContact OG1-N 3.01Å; D438-A442 VanDerWaalsContact O-CB 3.28Å; D438-A442 WeakPolarHBondContact O-CB 3.43Å; D438-A442 PolarHBondContact O-N 2.88Å; D438-F533 HydrophobicContact CB-CD1 4.48Å
439	F	97.1	Very high	93.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.3	-42.8	173.3	174.8	-93.3	0	0	0	112.2	Q379 F382 Q383 L435 T436 D437 A442 L443 W521 F533	Q379-F439 HydrophobicContact CG-CD2 4.42Å; Q379-F439 HydrophobicContact CG-CE2 3.95Å; F382-F439 AromaticContact CD1-CE1 3.57Å; F382-F439 HydrophobicContact CD1-CE1 3.57Å; F382-F439 HydrophobicContact CD1-CZ 4.18Å; F382-F439 HydrophobicContact CE1-CE1 4.05Å; F382-F439 HydrophobicContact CG-CE1 4.33Å; Q383-F439 HydrophobicContact CG-CE2 4.48Å; Q383-F439 HydrophobicContact CG-CZ 4.12Å; L435-F439 HydrophobicContact CB-CD1 4.4Å; L435-F439 HydrophobicContact CD1-CD1 4.21Å; L435-F439 HydrophobicContact CD1-CE1 4.23Å; L435-F439 HydrophobicContact CD2-CD1 3.74Å; L435-F439 HydrophobicContact CD2-CE1 3.86Å; L435-F439 HydrophobicContact CD2-CG 4.1Å; L435-F439 HydrophobicContact CD2-CZ 4.32Å; L435-F439 HydrophobicContact CG-CD1 4.33Å; T436-F439 PolarHBondContact O-N 3.14Å; T436-F439 PolarHBondContact OG1-N 3.48Å; D437-F439 VanDerWaalsContact C-N 3.3Å; D437-F439 PolarHBondContact O-N 3.42Å; F439-A442 PolarHBondContact O-N 2.96Å; F439-L443 HydrophobicContact CE1-CD2 4.45Å; F439-L443 WeakPolarHBondContact O-CB 3.22Å; F439-L443 PolarHBondContact O-N 3.26Å; F439-W521 HydrophobicContact CD2-CZ2 4.44Å; F439-W521 AromaticContact CE2-CZ2 3.69Å; F439-W521 HydrophobicContact CE2-CZ2 3.69Å; F439-W521 HydrophobicContact CZ-CZ2 4.2Å; F439-F533 HydrophobicContact CB-CB 3.97Å; F439-F533 HydrophobicContact CB-CD1 4.38Å; F439-F533 HydrophobicContact CB-CG 4.12Å; F439-F533 WeakPolarHBondContact CB-O 3.49Å; F439-F533 HydrophobicContact CD2-CB 4.09Å; F439-F533 AromaticContact CD2-CD2 3.77Å; F439-F533 HydrophobicContact CD2-CD2 3.77Å; F439-F533 HydrophobicContact CD2-CE2 4.39Å; F439-F533 HydrophobicContact CD2-CG 4.04Å
440	L	97.1	Very high	93.4	Very high	11 Å²	11	26.6 Å²	26.6	6%	0.058	14%	0.144	C	C	.	.	H	α-helix	trans	-65.8	-40.5	178.9	-61.4	178.5	0	0	0	111.4	F382 L419 V422 W423 D437 L443 H444	F382-L440 HydrophobicContact CE1-CD2 4.28Å; F382-L440 HydrophobicContact CZ-CD2 4.12Å; L419-L440 HydrophobicContact CD2-CD2 4.21Å; V422-L440 HydrophobicContact CG1-CD1 4.15Å; V422-L440 HydrophobicContact CG1-CD2 4.04Å; W423-L440 HydrophobicContact CB-CD1 3.88Å; D437-L440 PolarHBondContact O-N 3.35Å; D437-L440 VanDerWaalsContact O-N 3.16Å; L440-L443 PolarHBondContact O-N 3.36Å; L440-H444 PolarHBondContact O-N 3.25Å
441	L	94.1	Very high	93.1	Very high	79 Å²	79	24 Å²	24	41%	0.414	13%	0.127	S	C	.	.	H	α-helix	trans	-64.4	-44.9	174.4	-71.4	172.6	0	0	0	111.5	D437 L443 H444 D445	D437-L441 WeakPolarHBondContact O-CG 3.23Å; D437-L441 PolarHBondContact O-N 2.76Å; L441-L443 VanDerWaalsContact C-N 3.31Å; L441-L443 PolarHBondContact O-N 3.34Å; L441-H444 PolarHBondContact O-N 2.85Å; L441-D445 PolarHBondContact O-N 3.3Å
442	A	94.8	Very high	92.9	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.033	10%	0.102	C	C	.	.	H	α-helix	trans	-57.8	-46	176.2	0	0	0	0	0	111.4	D438 F439 H444 D445 S446 W521 Y525 F533	D438-A442 VanDerWaalsContact O-CB 3.28Å; D438-A442 WeakPolarHBondContact O-CB 3.43Å; D438-A442 PolarHBondContact O-N 2.88Å; F439-A442 PolarHBondContact O-N 2.96Å; A442-H444 PolarHBondContact O-N 2.82Å; A442-D445 PolarHBondContact O-N 2.88Å; A442-S446 PolarHBondContact O-N 2.79Å; A442-S446 PolarHBondContact O-OG 3.38Å; A442-W521 HydrophobicContact CB-CZ3 4.31Å; A442-Y525 WeakPolarHBondContact CA-OH 3.21Å; A442-Y525 HydrophobicContact CB-CD2 4.37Å; A442-Y525 HydrophobicContact CB-CE1 4.35Å; A442-Y525 HydrophobicContact CB-CE2 3.65Å; A442-Y525 PolarHBondContact O-OH 3.45Å; A442-F533 HydrophobicContact CB-CE1 3.63Å; A442-F533 HydrophobicContact CB-CE2 4.24Å; A442-F533 HydrophobicContact CB-CZ 3.37Å
443	L	95.8	Very high	92.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.3	-40.9	177.1	-177.3	56.5	0	0	0	112.6	F382 V386 F415 L419 F439 L440 L441 S446 V447 F455 W519 W521	F382-L443 HydrophobicContact CD1-CD2 4.44Å; F382-L443 HydrophobicContact CE1-CD2 3.82Å; V386-L443 HydrophobicContact CG2-CD2 4.33Å; F415-L443 HydrophobicContact CE1-CD2 4.33Å; F415-L443 HydrophobicContact CE1-CG 4.08Å; F415-L443 HydrophobicContact CZ-CD2 3.99Å; F415-L443 HydrophobicContact CZ-CG 4.21Å; L419-L443 HydrophobicContact CD1-CG 4.48Å; L419-L443 HydrophobicContact CD2-CD2 3.93Å; F439-L443 HydrophobicContact CE1-CD2 4.45Å; F439-L443 WeakPolarHBondContact O-CB 3.22Å; F439-L443 PolarHBondContact O-N 3.26Å; L440-L443 PolarHBondContact O-N 3.36Å; L441-L443 VanDerWaalsContact C-N 3.31Å; L441-L443 PolarHBondContact O-N 3.34Å; L443-S446 PolarHBondContact O-N 3.45Å; L443-V447 VanDerWaalsContact O-CG2 3.31Å; L443-V447 WeakPolarHBondContact O-CG2 3.35Å; L443-V447 PolarHBondContact O-N 3.29Å; L443-F455 HydrophobicContact CD1-CE2 3.95Å; L443-F455 HydrophobicContact CD1-CZ 3.9Å; L443-W519 HydrophobicContact CD1-CH2 3.95Å; L443-W519 HydrophobicContact CD1-CZ3 3.67Å; L443-W521 HydrophobicContact CB-CH2 4.22Å; L443-W521 HydrophobicContact CD1-CH2 4.08Å
444	H	94.6	Very high	92.4	Very high	19 Å²	19	19.3 Å²	19.3	9%	0.088	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-46.9	174.4	170.7	-105.5	0	0	0	112	L419 L440 L441 A442 S446 V447 H448	L419-H444 HydrophobicContact CD1-CB 3.87Å; L440-H444 PolarHBondContact O-N 3.25Å; L441-H444 PolarHBondContact O-N 2.85Å; A442-H444 PolarHBondContact O-N 2.82Å; H444-S446 VanDerWaalsContact C-N 3.29Å; H444-S446 PolarHBondContact O-N 3.12Å; H444-V447 WeakPolarHBondContact O-CB 3.41Å; H444-V447 PolarHBondContact O-N 3.42Å; H444-V447 VanDerWaalsContact O-N 3.15Å; H444-H448 AromaticContact CD2-NE2 3.76Å; H444-H448 AromaticContact CE1-CD2 3.9Å; H444-H448 AromaticContact CE1-NE2 3.6Å; H444-H448 AromaticContact NE2-CD2 3.75Å; H444-H448 AromaticContact NE2-NE2 3.08Å; H444-H448 PolarHBondContact NE2-NE2 2.98Å; H444-H448 PolarHBondContact O-CD2 3.2Å; H444-H448 VanDerWaalsContact O-CD2 3.28Å
445	D	91.3	Very high	92.2	Very high	21 Å²	21	16.4 Å²	16.4	11%	0.112	9%	0.09	C	C	.	.	H	α-helix	trans	-59	-42.8	178.3	-74.5	-2	0	0	0	111	R107 L441 A442 V447 H448	R107-D445 IonicContact CZ-OD2 2.94Å; R107-D445 IonicContact NH1-OD2 3.05Å; L441-D445 PolarHBondContact O-N 3.3Å; A442-D445 PolarHBondContact O-N 2.88Å; D445-V447 PolarHBondContact O-N 2.85Å; D445-H448 PolarHBondContact O-N 2.87Å; D445-H448 VanDerWaalsContact O-N 3.12Å
446	S	91.1	Very high	91.9	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.007	9%	0.09	C	C	.	.	H	α-helix	trans	-62.8	-28.1	178.9	-54.1	0	0	0	0	114	A442 L443 H444 H448 L449 Q524	A442-S446 PolarHBondContact O-N 2.79Å; A442-S446 PolarHBondContact O-OG 3.38Å; L443-S446 PolarHBondContact O-N 3.45Å; H444-S446 VanDerWaalsContact C-N 3.29Å; H444-S446 PolarHBondContact O-N 3.12Å; S446-H448 PolarHBondContact O-N 3.11Å; S446-L449 PolarHBondContact O-N 3.27Å; S446-Q524 PolarHBondContact OG-OE1 2.83Å
447	V	90.4	Very high	91.6	Very high	9 Å²	9	16.5 Å²	16.5	6%	0.055	9%	0.09	C	C	.	.	H	α-helix	trans	-65.1	-29.9	176.9	173.1	0	0	0	0	111.2	I401 Y403 F415 L443 H444 D445 L449 F455	I401-V447 HydrophobicContact CD1-CG1 3.57Å; I401-V447 WeakPolarHBondContact CD1-O 3.31Å; I401-V447 HydrophobicContact CG1-CG1 3.82Å; Y403-V447 PolarHBondContact OH-O 2.91Å; F415-V447 HydrophobicContact CD1-CG2 3.6Å; F415-V447 HydrophobicContact CE1-CG2 3.59Å; L443-V447 VanDerWaalsContact O-CG2 3.31Å; L443-V447 WeakPolarHBondContact O-CG2 3.35Å; L443-V447 PolarHBondContact O-N 3.29Å; H444-V447 WeakPolarHBondContact O-CB 3.41Å; H444-V447 PolarHBondContact O-N 3.42Å; H444-V447 VanDerWaalsContact O-N 3.15Å; D445-V447 PolarHBondContact O-N 2.85Å; V447-L449 VanDerWaalsContact C-N 3.33Å; V447-F455 HydrophobicContact CB-CD2 4.3Å; V447-F455 HydrophobicContact CG2-CD2 3.67Å; V447-F455 HydrophobicContact CG2-CE2 3.58Å; V447-F455 HydrophobicContact CG2-CG 4.39Å; V447-F455 HydrophobicContact CG2-CZ 4.25Å
448	H	87.2	Confident	91.6	Very high	29 Å²	29	16 Å²	16	13%	0.134	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.5	179.2	-64.1	-75	0	0	0	113.5	H444 D445 S446 P450	H444-H448 AromaticContact CD2-NE2 3.76Å; H444-H448 AromaticContact CE1-CD2 3.9Å; H444-H448 AromaticContact CE1-NE2 3.6Å; H444-H448 AromaticContact NE2-CD2 3.75Å; H444-H448 AromaticContact NE2-NE2 3.08Å; H444-H448 PolarHBondContact NE2-NE2 2.98Å; H444-H448 PolarHBondContact O-CD2 3.2Å; H444-H448 VanDerWaalsContact O-CD2 3.28Å; D445-H448 PolarHBondContact O-N 2.87Å; D445-H448 VanDerWaalsContact O-N 3.12Å; S446-H448 PolarHBondContact O-N 3.11Å; H448-P450 WeakPolarHBondContact O-CD 3.43Å
449	L	88.1	Confident	91.6	Very high	12 Å²	12	13 Å²	13	6%	0.063	7%	0.072	C	C	.	.			trans	-100.7	108.9	-179.9	-68.4	175.6	0	0	0	110.5	L62 A68 S71 S446 V447 L451 F452	L62-L449 HydrophobicContact CD1-CD1 3.63Å; L62-L449 HydrophobicContact CD1-CD2 3.81Å; L62-L449 HydrophobicContact CD1-CG 4.41Å; A68-L449 HydrophobicContact CB-CD2 3.33Å; S71-L449 WeakPolarHBondContact OG-CD2 3.4Å; S446-L449 PolarHBondContact O-N 3.27Å; V447-L449 VanDerWaalsContact C-N 3.33Å; L449-L451 PolarHBondContact O-N 2.79Å; L449-F452 HydrophobicContact CB-CE2 4.38Å; L449-F452 HydrophobicContact CD1-CE2 4.46Å
450	P	87.3	Confident	91.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	42.7	-178	32.6	-34.3	0	0	0	113.1	A70 L136 V141 F144 Q145 Y403 H448 L456	A70-P450 HydrophobicContact CB-CG 3.86Å; L136-P450 HydrophobicContact CD1-CG 4.05Å; V141-P450 HydrophobicContact CG1-CB 4.13Å; F144-P450 HydrophobicContact CD1-CG 3.72Å; F144-P450 HydrophobicContact CE1-CG 3.78Å; Q145-P450 WeakPolarHBondContact CG-O 3.48Å; Q145-P450 PolarHBondContact NE2-O 3.1Å; Y403-P450 HydrophobicContact CD1-CB 4.1Å; Y403-P450 HydrophobicContact CD1-CG 4.22Å; Y403-P450 HydrophobicContact CE1-CB 3.71Å; Y403-P450 HydrophobicContact CE1-CG 3.99Å; H448-P450 WeakPolarHBondContact O-CD 3.43Å; P450-L456 HydrophobicContact CB-CD2 3.71Å
451	L	86.8	Confident	91.4	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-35.5	178.5	-64.9	175.1	0	0	0	112.4	F41 L61 F144 Q145 A148 L449	F41-L451 HydrophobicContact CE2-CD1 3.84Å; F41-L451 HydrophobicContact CE2-CD2 4.07Å; F41-L451 HydrophobicContact CE2-CG 4.46Å; F41-L451 HydrophobicContact CZ-CD1 3.78Å; L61-L451 HydrophobicContact CD1-CD1 4.12Å; F144-L451 HydrophobicContact CD1-CD2 3.86Å; F144-L451 HydrophobicContact CD1-CG 4.48Å; F144-L451 HydrophobicContact CE1-CD1 4.41Å; F144-L451 HydrophobicContact CE1-CD2 3.54Å; F144-L451 HydrophobicContact CE1-CG 3.78Å; F144-L451 HydrophobicContact CZ-CD2 4.44Å; Q145-L451 HydrophobicContact CG-CD2 4.49Å; A148-L451 HydrophobicContact CB-CD2 3.91Å; L449-L451 PolarHBondContact O-N 2.79Å
452	F	88.5	Confident	91.2	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.013	8%	0.082	C	C	.	.			trans	-96.8	134.9	-168.7	-55.7	-71.6	0	0	0	112	L61 L449 T454 L456 P516 P517 V518 Q524	L61-F452 HydrophobicContact CD1-CE1 4.23Å; L61-F452 HydrophobicContact CD1-CZ 3.92Å; L449-F452 HydrophobicContact CB-CE2 4.38Å; L449-F452 HydrophobicContact CD1-CE2 4.46Å; F452-T454 PolarHBondContact O-N 3.44Å; F452-T454 VanDerWaalsContact O-N 3.12Å; F452-L456 WeakPolarHBondContact O-CD1 3.27Å; F452-L456 WeakPolarHBondContact O-CG 3.34Å; F452-P516 VanDerWaalsContact CA-O 3.28Å; F452-P516 WeakPolarHBondContact CA-O 3.4Å; F452-P516 HydrophobicContact CD1-CB 4.46Å; F452-P516 HydrophobicContact CD1-CG 4.15Å; F452-P516 HydrophobicContact CE1-CG 4.25Å; F452-P517 WeakPolarHBondContact CD1-O 3.38Å; F452-V518 HydrophobicContact CB-CB 3.88Å; F452-V518 HydrophobicContact CB-CG2 4.28Å; F452-V518 HydrophobicContact CD2-CG2 4.15Å; F452-V518 HydrophobicContact CG-CB 4.19Å; F452-V518 HydrophobicContact CG-CG2 4.23Å; F452-Q524 HydrophobicContact CE1-CG 3.93Å; F452-Q524 HydrophobicContact CE2-CG 3.67Å; F452-Q524 HydrophobicContact CZ-CG 3.16Å
453	S	87.5	Confident	91	Very high	35 Å²	35	17.6 Å²	17.6	25%	0.245	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-61.8	-24.5	-175.9	50.8	0	0	0	0	114.1	F455 L515 P516	S453-F455 PolarHBondContact O-N 3.49Å; S453-L515 WeakPolarHBondContact CB-O 3.43Å; S453-L515 PolarHBondContact OG-O 3.45Å; S453-P516 PolarHBondContact N-O 3.25Å; S453-P516 PolarHBondContact OG-O 3.24Å
454	T	91.5	Very high	90.6	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.037	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-59.2	-44.2	-173	-51.3	0	0	0	0	113.5	V391 F452 V518 W519	V391-T454 HydrophobicContact CB-CG2 4.44Å; V391-T454 HydrophobicContact CG1-CG2 4.12Å; V391-T454 HydrophobicContact CG2-CG2 3.5Å; V391-T454 VanDerWaalsContact CG2-CG2 3.5Å; F452-T454 PolarHBondContact O-N 3.44Å; F452-T454 VanDerWaalsContact O-N 3.12Å; T454-V518 HydrophobicContact CG2-CB 4.5Å; T454-V518 HydrophobicContact CG2-CG1 3.69Å; T454-V518 WeakPolarHBondContact OG1-CG1 3.5Å; T454-V518 PolarHBondContact OG1-N 3.34Å; T454-W519 HydrophobicContact CG2-CZ2 4.21Å
455	F	92.5	Very high	90.1	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.018	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-110.6	13.8	-172.7	-54.9	-44.3	0	0	0	114.1	V386 V391 F397 F415 L443 V447 S453 V518 W519	V386-F455 HydrophobicContact CG1-CE1 4.19Å; V386-F455 HydrophobicContact CG1-CZ 4.27Å; V391-F455 HydrophobicContact CG2-CD1 4.3Å; V391-F455 HydrophobicContact CG2-CE1 3.92Å; F397-F455 HydrophobicContact CB-CB 4.27Å; F397-F455 WeakPolarHBondContact CB-O 3.43Å; F397-F455 HydrophobicContact CD1-CB 4.15Å; F397-F455 AromaticContact CD1-CD1 3.77Å; F397-F455 HydrophobicContact CD1-CD1 3.77Å; F397-F455 HydrophobicContact CD1-CE1 4.48Å; F397-F455 HydrophobicContact CD1-CG 4.14Å; F397-F455 AromaticContact CD2-CD1 3.83Å; F397-F455 HydrophobicContact CD2-CD1 3.83Å; F397-F455 AromaticContact CE1-CD1 3.56Å; F397-F455 HydrophobicContact CE1-CD1 3.56Å; F397-F455 AromaticContact CE1-CE1 3.82Å; F397-F455 HydrophobicContact CE1-CE1 3.82Å; F397-F455 HydrophobicContact CE1-CG 4.22Å; F397-F455 AromaticContact CE2-CD1 3.62Å; F397-F455 HydrophobicContact CE2-CD1 3.62Å; F397-F455 AromaticContact CE2-CE1 3.92Å; F397-F455 HydrophobicContact CE2-CE1 3.92Å; F397-F455 HydrophobicContact CG-CB 4.13Å; F397-F455 AromaticContact CG-CD1 3.91Å; F397-F455 HydrophobicContact CG-CD1 3.91Å; F397-F455 HydrophobicContact CG-CG 4.39Å; F397-F455 AromaticContact CZ-CD1 3.48Å; F397-F455 HydrophobicContact CZ-CD1 3.48Å; F397-F455 VanDerWaalsContact CZ-CD1 3.48Å; F397-F455 AromaticContact CZ-CE1 3.5Å; F397-F455 HydrophobicContact CZ-CE1 3.5Å; F397-F455 VanDerWaalsContact CZ-CE1 3.5Å; F415-F455 HydrophobicContact CE1-CZ 4.43Å; F415-F455 HydrophobicContact CZ-CZ 4.47Å; L443-F455 HydrophobicContact CD1-CE2 3.95Å; L443-F455 HydrophobicContact CD1-CZ 3.9Å; V447-F455 HydrophobicContact CB-CD2 4.3Å; V447-F455 HydrophobicContact CG2-CD2 3.67Å; V447-F455 HydrophobicContact CG2-CE2 3.58Å; V447-F455 HydrophobicContact CG2-CG 4.39Å; V447-F455 HydrophobicContact CG2-CZ 4.25Å; S453-F455 PolarHBondContact O-N 3.49Å; F455-V518 HydrophobicContact CD2-CB 4.46Å; F455-V518 HydrophobicContact CD2-CG1 4.48Å; F455-V518 HydrophobicContact CD2-CG2 4.23Å; F455-V518 HydrophobicContact CE2-CB 4.12Å; F455-V518 HydrophobicContact CE2-CG1 3.79Å; F455-V518 HydrophobicContact CE2-CG2 3.83Å; F455-V518 HydrophobicContact CZ-CG1 3.93Å; F455-W519 HydrophobicContact CZ-CH2 4.4Å
456	L	89.2	Confident	89.4	Confident	4 Å²	4	24.9 Å²	24.9	2%	0.021	12%	0.119	C	C	.	.	S	Bend	trans	-97.8	20.2	-172.5	-80.1	179.2	0	0	0	114.9	V141 Y403 P450 F452 L515	V141-L456 HydrophobicContact CG1-CD2 4.49Å; Y403-L456 HydrophobicContact CE2-CD2 4.14Å; P450-L456 HydrophobicContact CB-CD2 3.71Å; F452-L456 WeakPolarHBondContact O-CD1 3.27Å; F452-L456 WeakPolarHBondContact O-CG 3.34Å; L456-L515 HydrophobicContact CD1-CD1 4.38Å
457	S	90.8	Very high	88.6	Confident	11 Å²	11	27.2 Å²	27.2	8%	0.077	14%	0.135	C	C	.	.	S	Bend	trans	-157.9	165.5	178.8	-62.6	0	0	0	0	110	R463	S457-R463 WeakPolarHBondContact OG-CG 3.45Å
458	N	94.1	Very high	87.7	Confident	18 Å²	18	32 Å²	32	10%	0.096	16%	0.157	C	C	.	.	S	Bend	trans	-89.5	-20.6	178.6	-63.3	-45.8	0	0	0	113.2	R358 G394 H395 R396 Y398 S399 E462	R358-N458 PolarHBondContact NH2-O 3.31Å; G394-N458 CarbonylContact C-O 3.58Å; G394-N458 WeakPolarHBondContact CA-O 3.38Å; H395-N458 CarbonylContact C-O 3.51Å; R396-N458 VanDerWaalsContact CA-OD1 3.26Å; R396-N458 WeakPolarHBondContact CA-OD1 3.35Å; R396-N458 HydrophobicContact CB-CB 4.29Å; R396-N458 HydrophobicContact CG-CB 4.22Å; R396-N458 PolarHBondContact O-OD1 3.06Å; Y398-N458 WeakPolarHBondContact CB-OD1 3.44Å; Y398-N458 PolarHBondContact N-OD1 3.37Å; S399-N458 PolarHBondContact N-OD1 2.92Å; S399-N458 PolarHBondContact OG-ND2 3.25Å; S399-N458 PolarHBondContact OG-OD1 3.3Å; N458-E462 VanDerWaalsContact CB-OE2 3.28Å; N458-E462 WeakPolarHBondContact CB-OE2 3.39Å; N458-E462 PolarHBondContact N-OE2 2.91Å
459	C	94.8	Very high	86.8	Confident	5 Å²	5	34.1 Å²	34.1	3%	0.034	17%	0.172	C	C	.	.	S	Bend	trans	-155.1	171.4	176.8	65.6	0	0	0	0	112	N201 R461 E462 R463	N201-C459 PolarHBondContact O-SG 3.16Å; C459-R461 VanDerWaalsContact C-N 3.28Å; C459-R461 PolarHBondContact O-N 2.87Å; C459-E462 PolarHBondContact O-N 3.37Å; C459-R463 PolarHBondContact O-N 2.9Å
460	Q	94.5	Very high	85.8	Confident	9 Å²	9	35.2 Å²	35.2	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-59.2	-38.5	178	-170.2	-174.5	16.8	0	0	112.3	F197 S204 M392 E462 R463 C464	F197-Q460 HydrophobicContact CE1-CB 4.02Å; F197-Q460 HydrophobicContact CE1-CG 4.26Å; F197-Q460 HydrophobicContact CZ-CB 4.2Å; F197-Q460 HydrophobicContact CZ-CG 4.01Å; S204-Q460 VanDerWaalsContact CB-OE1 3.31Å; M392-Q460 HydrophobicContact CE-CB 4.45Å; M392-Q460 HydrophobicContact CE-CG 4.08Å; M392-Q460 VanDerWaalsContact CE-OE1 3.31Å; Q460-E462 PolarHBondContact O-N 3.2Å; Q460-R463 PolarHBondContact O-N 2.77Å; Q460-C464 PolarHBondContact O-N 2.93Å; Q460-C464 PolarHBondContact O-SG 3.06Å; Q460-C464 VanDerWaalsContact O-SG 3.38Å
461	R	93.8	Very high	84.7	Confident	76 Å²	76	36.9 Å²	36.9	29%	0.287	19%	0.186	S	C	.	.	H	α-helix	trans	-58.1	-46.3	178.5	-173.6	-175	-176.9	-151.5	8	112.1	F197 N201 C459 C464 K465	F197-R461 HydrophobicContact CB-CB 4.27Å; F197-R461 HydrophobicContact CB-CG 4.02Å; F197-R461 HydrophobicContact CD1-CB 3.79Å; F197-R461 HydrophobicContact CD1-CG 4.38Å; F197-R461 HydrophobicContact CD2-CB 3.87Å; F197-R461 HydrophobicContact CD2-CG 3.69Å; F197-R461 HydrophobicContact CE1-CB 3.98Å; F197-R461 HydrophobicContact CE2-CB 4.05Å; F197-R461 HydrophobicContact CE2-CG 4.19Å; F197-R461 HydrophobicContact CG-CB 3.71Å; F197-R461 HydrophobicContact CG-CG 3.78Å; F197-R461 HydrophobicContact CZ-CB 4.09Å; N201-R461 PolarHBondContact ND2-NH1 2.65Å; N201-R461 PolarHBondContact OD1-NH1 3.43Å; C459-R461 VanDerWaalsContact C-N 3.28Å; C459-R461 PolarHBondContact O-N 2.87Å; R461-C464 PolarHBondContact O-N 2.77Å; R461-K465 WeakPolarHBondContact O-CG 3.42Å; R461-K465 PolarHBondContact O-N 3.33Å
462	E	91.3	Very high	83.6	Confident	78 Å²	78	40.6 Å²	40.6	36%	0.364	21%	0.21	S	C	.	.	H	α-helix	trans	-63.4	-41.9	176.8	-73.9	175.3	-163.1	0	0	111.7	N458 C459 Q460 C464 K465 R466	N458-E462 VanDerWaalsContact CB-OE2 3.28Å; N458-E462 WeakPolarHBondContact CB-OE2 3.39Å; N458-E462 PolarHBondContact N-OE2 2.91Å; C459-E462 PolarHBondContact O-N 3.37Å; Q460-E462 PolarHBondContact O-N 3.2Å; E462-C464 VanDerWaalsContact C-N 3.35Å; E462-C464 PolarHBondContact O-N 3.48Å; E462-K465 PolarHBondContact O-N 3.02Å; E462-R466 WeakPolarHBondContact O-CB 3.42Å; E462-R466 PolarHBondContact O-N 3.35Å
463	R	89.4	Confident	82.3	Confident	28 Å²	28	46.3 Å²	46.3	11%	0.106	23%	0.231	C	C	.	.	H	α-helix	trans	-59.3	-44.3	174.9	-68.7	-167	-73.1	130.1	-0.6	112	E171 M392 S457 C459 Q460 R466 S467	E171-R463 IonicContact OE1-NH1 3.52Å; M392-R463 PolarHBondContact SD-NH2 2.99Å; S457-R463 WeakPolarHBondContact OG-CG 3.45Å; C459-R463 PolarHBondContact O-N 2.9Å; Q460-R463 PolarHBondContact O-N 2.77Å; R463-R466 PolarHBondContact O-N 2.78Å; R463-S467 PolarHBondContact O-N 2.8Å; R463-S467 PolarHBondContact O-OG 3.49Å
464	C	87.3	Confident	81	Confident	37 Å²	37	46.2 Å²	46.2	25%	0.25	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-47.3	177.2	-69.1	0	0	0	0	111.6	Q460 R461 E462 S467 Q468	Q460-C464 PolarHBondContact O-N 2.93Å; Q460-C464 PolarHBondContact O-SG 3.06Å; Q460-C464 VanDerWaalsContact O-SG 3.38Å; R461-C464 PolarHBondContact O-N 2.77Å; E462-C464 VanDerWaalsContact C-N 3.35Å; E462-C464 PolarHBondContact O-N 3.48Å; C464-S467 PolarHBondContact O-N 2.92Å; C464-Q468 WeakPolarHBondContact O-CG 3.4Å; C464-Q468 PolarHBondContact O-N 2.92Å; C464-Q468 VanDerWaalsContact O-N 3.09Å
465	K	84.3	Confident	79.5	Confident	92 Å²	92	51.8 Å²	51.8	40%	0.4	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-44.5	177.8	-73.6	-178.1	177.7	-174.2	0	112.2	R461 E462 S467 Q468 V469	R461-K465 WeakPolarHBondContact O-CG 3.42Å; R461-K465 PolarHBondContact O-N 3.33Å; E462-K465 PolarHBondContact O-N 3.02Å; K465-S467 VanDerWaalsContact C-N 3.33Å; K465-S467 PolarHBondContact O-N 2.93Å; K465-Q468 PolarHBondContact O-N 3.42Å; K465-V469 WeakPolarHBondContact O-CG2 3.43Å; K465-V469 PolarHBondContact O-N 3.36Å
466	R	77.1	Confident	78	Confident	64 Å²	64	56.5 Å²	56.5	24%	0.242	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-45.2	177.9	-174.9	-177.9	179.2	89.6	3.3	111.4	E462 R463 Q468 V469 L470	E462-R466 WeakPolarHBondContact O-CB 3.42Å; E462-R466 PolarHBondContact O-N 3.35Å; R463-R466 PolarHBondContact O-N 2.78Å; R466-Q468 VanDerWaalsContact C-N 3.35Å; R466-Q468 PolarHBondContact O-N 3.48Å; R466-V469 PolarHBondContact O-N 2.62Å; R466-L470 HydrophobicContact CG-CD1 4.12Å; R466-L470 HydrophobicContact CG-CG 4.5Å; R466-L470 WeakPolarHBondContact O-CG 3.33Å; R466-L470 PolarHBondContact O-N 3.27Å
467	S	74.4	Confident	76.5	Confident	50 Å²	50	60.7 Å²	60.7	35%	0.35	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-42.5	179.2	-54.3	0	0	0	0	111.6	R463 C464 K465 L470 N471	R463-S467 PolarHBondContact O-N 2.8Å; R463-S467 PolarHBondContact O-OG 3.49Å; C464-S467 PolarHBondContact O-N 2.92Å; K465-S467 VanDerWaalsContact C-N 3.33Å; K465-S467 PolarHBondContact O-N 2.93Å; S467-L470 PolarHBondContact O-N 3.31Å; S467-N471 PolarHBondContact O-N 2.81Å; S467-N471 VanDerWaalsContact O-N 3.13Å; S467-N471 PolarHBondContact O-ND2 3.19Å; S467-N471 PolarHBondContact O-OD1 3.26Å
468	Q	71.6	Confident	74.8	Confident	109 Å²	109	64.5 Å²	64.5	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-44.3	175.1	-72.1	171.9	-13.8	0	0	112.4	C464 K465 R466 N471 T472	C464-Q468 WeakPolarHBondContact O-CG 3.4Å; C464-Q468 PolarHBondContact O-N 2.92Å; C464-Q468 VanDerWaalsContact O-N 3.09Å; K465-Q468 PolarHBondContact O-N 3.42Å; R466-Q468 VanDerWaalsContact C-N 3.35Å; R466-Q468 PolarHBondContact O-N 3.48Å; Q468-N471 PolarHBondContact O-N 3.05Å; Q468-T472 PolarHBondContact O-N 3.04Å; Q468-T472 VanDerWaalsContact O-N 3.15Å; Q468-T472 PolarHBondContact O-OG1 3.16Å; Q468-T472 VanDerWaalsContact O-OG1 3.09Å
469	V	69.1	Low	72.7	Confident	75 Å²	75	66.7 Å²	66.7	46%	0.455	33%	0.331	S	S	.	.	H	α-helix	trans	-61	-51.7	178.4	170.3	0	0	0	0	110.1	K465 R466 N471 T472 W473	K465-V469 WeakPolarHBondContact O-CG2 3.43Å; K465-V469 PolarHBondContact O-N 3.36Å; R466-V469 PolarHBondContact O-N 2.62Å; V469-N471 VanDerWaalsContact C-N 3.3Å; V469-N471 PolarHBondContact O-N 3.39Å; V469-T472 WeakPolarHBondContact O-CB 3.24Å; V469-T472 PolarHBondContact O-N 2.92Å; V469-W473 PolarHBondContact O-N 2.95Å
470	L	66.9	Low	70.4	Confident	35 Å²	35	68.8 Å²	68.8	18%	0.183	35%	0.349	C	S	.	.	H	α-helix	trans	-55.6	-44.2	-180	-69.2	171.4	0	0	0	112.3	L142 R466 S467 T472 W473 D474 L515	L142-L470 HydrophobicContact CD1-CD2 3.46Å; L142-L470 VanDerWaalsContact CD1-CD2 3.46Å; L142-L470 HydrophobicContact CD2-CD2 4.27Å; L142-L470 HydrophobicContact CG-CD2 4.49Å; R466-L470 HydrophobicContact CG-CD1 4.12Å; R466-L470 HydrophobicContact CG-CG 4.5Å; R466-L470 WeakPolarHBondContact O-CG 3.33Å; R466-L470 PolarHBondContact O-N 3.27Å; S467-L470 PolarHBondContact O-N 3.31Å; L470-T472 VanDerWaalsContact C-N 3.3Å; L470-T472 PolarHBondContact O-N 3.34Å; L470-W473 PolarHBondContact O-N 2.93Å; L470-D474 PolarHBondContact O-N 3.25Å; L470-L515 HydrophobicContact CD1-CD1 4.12Å
471	N	64.3	Low	68	Low	34 Å²	34	74.5 Å²	74.5	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-62.4	-36	177.4	-65.5	-8.2	0	0	0	112.5	S467 Q468 V469 K475	S467-N471 PolarHBondContact O-N 2.81Å; S467-N471 VanDerWaalsContact O-N 3.13Å; S467-N471 PolarHBondContact O-ND2 3.19Å; S467-N471 PolarHBondContact O-OD1 3.26Å; Q468-N471 PolarHBondContact O-N 3.05Å; V469-N471 VanDerWaalsContact C-N 3.3Å; V469-N471 PolarHBondContact O-N 3.39Å; N471-K475 VanDerWaalsContact O-CG 3.28Å; N471-K475 WeakPolarHBondContact O-CG 3.5Å; N471-K475 PolarHBondContact O-N 3.2Å; N471-K475 VanDerWaalsContact O-N 3.17Å
472	T	63.3	Low	65.4	Low	80 Å²	80	77.7 Å²	77.7	49%	0.491	40%	0.398	S	S	.	.	H	α-helix	trans	-71.3	-42	176.8	-57.6	0	0	0	0	111.7	Q468 V469 L470 K475 L476	Q468-T472 PolarHBondContact O-N 3.04Å; Q468-T472 VanDerWaalsContact O-N 3.15Å; Q468-T472 PolarHBondContact O-OG1 3.16Å; Q468-T472 VanDerWaalsContact O-OG1 3.09Å; V469-T472 WeakPolarHBondContact O-CB 3.24Å; V469-T472 PolarHBondContact O-N 2.92Å; L470-T472 VanDerWaalsContact C-N 3.3Å; L470-T472 PolarHBondContact O-N 3.34Å; T472-K475 PolarHBondContact O-N 2.84Å; T472-L476 HydrophobicContact CG2-CD1 4.17Å; T472-L476 WeakPolarHBondContact O-CG 3.29Å; T472-L476 PolarHBondContact O-N 3.17Å
473	W	60.9	Low	62.8	Low	122 Å²	122	84 Å²	84	46%	0.462	42%	0.421	S	S	.	.	H	α-helix	trans	-62.2	-43.6	176.6	-80.3	93.8	0	0	0	111.9	V469 L470 L476 L477 W498	V469-W473 PolarHBondContact O-N 2.95Å; L470-W473 PolarHBondContact O-N 2.93Å; W473-L476 PolarHBondContact O-N 3.46Å; W473-L477 WeakPolarHBondContact O-CB 3.41Å; W473-L477 PolarHBondContact O-N 3.03Å; W473-W498 HydrophobicContact CH2-CZ2 4.21Å; W473-W498 HydrophobicContact CZ2-CZ2 4.12Å; W473-W498 AromaticContact CZ2-NE1 3.95Å
474	D	59.8	Low	60.1	Low	34 Å²	34	86.8 Å²	86.8	18%	0.182	44%	0.441	C	S	.	.	H	α-helix	trans	-62.1	-45	176.3	-87.8	-18.7	0	0	0	110.6	K155 L470 L476 L477 H478	K155-D474 IonicContact NZ-OD1 3.84Å; K155-D474 PolarHBondContact NZ-OD1 3.17Å; K155-D474 IonicContact NZ-OD2 2.7Å; K155-D474 PolarHBondContact NZ-OD2 3.32Å; L470-D474 PolarHBondContact O-N 3.25Å; D474-L476 VanDerWaalsContact C-N 3.31Å; D474-L476 PolarHBondContact O-N 2.84Å; D474-L477 PolarHBondContact O-N 2.94Å; D474-H478 PolarHBondContact O-N 3.34Å; D474-H478 PolarHBondContact O-ND1 3Å
475	K	60.7	Low	57.6	Low	122 Å²	122	90.5 Å²	90.5	53%	0.53	47%	0.467	S	S	.	.	H	α-helix	trans	-57.7	-41.2	175.1	-74.8	175	-179.2	-175	0	113	N471 T472 S479	N471-K475 VanDerWaalsContact O-CG 3.28Å; N471-K475 WeakPolarHBondContact O-CG 3.5Å; N471-K475 PolarHBondContact O-N 3.2Å; N471-K475 VanDerWaalsContact O-N 3.17Å; T472-K475 PolarHBondContact O-N 2.84Å; K475-S479 PolarHBondContact O-N 2.95Å; K475-S479 VanDerWaalsContact O-N 3.11Å; K475-S479 PolarHBondContact O-OG 3.31Å
476	L	59.8	Low	55.1	Low	104 Å²	104	92.3 Å²	92.3	55%	0.545	48%	0.481	S	S	.	.	H	α-helix	trans	-71.4	-35.8	178.5	-70.7	172.6	0	0	0	112.8	T472 W473 D474 S479 A480	T472-L476 HydrophobicContact CG2-CD1 4.17Å; T472-L476 WeakPolarHBondContact O-CG 3.29Å; T472-L476 PolarHBondContact O-N 3.17Å; W473-L476 PolarHBondContact O-N 3.46Å; D474-L476 VanDerWaalsContact C-N 3.31Å; D474-L476 PolarHBondContact O-N 2.84Å; L476-S479 PolarHBondContact O-N 2.9Å; L476-S479 PolarHBondContact O-OG 2.91Å; L476-A480 WeakPolarHBondContact O-CB 3.27Å; L476-A480 PolarHBondContact O-N 3.44Å
477	L	58.4	Low	52.8	Low	92 Å²	92	96.5 Å²	96.5	48%	0.482	51%	0.508	S	S	.	.	H	α-helix	trans	-68.8	-42.2	177.5	-168.3	70.6	0	0	0	111.3	W473 D474 S479 A480 Q481	W473-L477 WeakPolarHBondContact O-CB 3.41Å; W473-L477 PolarHBondContact O-N 3.03Å; D474-L477 PolarHBondContact O-N 2.94Å; L477-S479 VanDerWaalsContact C-N 3.34Å; L477-S479 PolarHBondContact O-N 3.35Å; L477-A480 PolarHBondContact O-N 3.36Å; L477-Q481 PolarHBondContact O-N 3.23Å
478	H	55.3	Low	51.1	Low	90 Å²	90	101.8 Å²	101.8	42%	0.417	54%	0.538	S	S	.	.	H	α-helix	trans	-66.8	-33.9	176	-70.7	91.9	0	0	0	112.2	D474	D474-H478 PolarHBondContact O-N 3.34Å; D474-H478 PolarHBondContact O-ND1 3Å
479	S	49.1	Very low	49.5	Very low	64 Å²	64	99.6 Å²	99.6	45%	0.448	55%	0.545	S	S	.	.	H	α-helix	trans	-72.9	-35.2	174.4	70.9	0	0	0	0	112.6	K475 L476 L477 N482	K475-S479 PolarHBondContact O-N 2.95Å; K475-S479 VanDerWaalsContact O-N 3.11Å; K475-S479 PolarHBondContact O-OG 3.31Å; L476-S479 PolarHBondContact O-N 2.9Å; L476-S479 PolarHBondContact O-OG 2.91Å; L477-S479 VanDerWaalsContact C-N 3.34Å; L477-S479 PolarHBondContact O-N 3.35Å; S479-N482 PolarHBondContact O-N 3.43Å
480	A	46.9	Very low	47.7	Very low	49 Å²	49	105.5 Å²	105.5	41%	0.405	57%	0.567	S	S	.	*	H	α-helix	trans	-69	-34.1	174.9	0	0	0	0	0	112.9	L476 L477 N482 Y483 V484	L476-A480 WeakPolarHBondContact O-CB 3.27Å; L476-A480 PolarHBondContact O-N 3.44Å; L477-A480 PolarHBondContact O-N 3.36Å; A480-N482 PolarHBondContact O-N 2.95Å; A480-Y483 PolarHBondContact O-N 2.96Å; A480-Y483 VanDerWaalsContact O-N 3.08Å; A480-V484 PolarHBondContact O-N 2.63Å
481	Q	43.6	Very low	45.9	Very low	130 Å²	130	112 Å²	112	61%	0.607	60%	0.601	S	S	*	*	H	α-helix	trans	-67	-20.4	174.5	-86.5	160.9	-18.4	0	0	113.6	L477 Y483	L477-Q481 PolarHBondContact O-N 3.23Å; Q481-Y483 VanDerWaalsContact C-N 3.31Å
482	N	39.2	Very low	44.3	Very low	142 Å²	142	119.6 Å²	119.6	76%	0.759	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-1.1	171.9	-75	-23.6	0	0	0	113.9	S479 A480	S479-N482 PolarHBondContact O-N 3.43Å; A480-N482 PolarHBondContact O-N 2.95Å
483	Y	36.4	Very low	43.1	Very low	211 Å²	211	121.2 Å²	121.2	83%	0.827	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.2	-2.3	-175.3	-103.6	-86.4	0	0	0	115.9	A480 Q481	A480-Y483 PolarHBondContact O-N 2.96Å; A480-Y483 VanDerWaalsContact O-N 3.08Å; Q481-Y483 VanDerWaalsContact C-N 3.31Å
484	V	33.6	Very low	41.7	Very low	87 Å²	87	116.9 Å²	116.9	53%	0.527	63%	0.626	S	S	.	*			trans	-131.9	85.9	-176.8	-172	0	0	0	0	111	A480 D486	A480-V484 PolarHBondContact O-N 2.63Å; V484-D486 WeakPolarHBondContact CG1-O 3.35Å
485	S	33.9	Very low	40.3	Very low	114 Å²	114	121.5 Å²	121.5	80%	0.797	66%	0.655	S	S	*	*	S	Bend	trans	-88.9	2.4	155.1	59.7	0	0	0	0	113
486	D	33.4	Very low	38.9	Very low	131 Å²	131	122.1 Å²	122.1	70%	0.701	66%	0.664	S	S	*	*	S	Bend	trans	-149.4	127.9	176.8	-78.7	-51.1	0	0	0	111.6	V484	V484-D486 WeakPolarHBondContact CG1-O 3.35Å
487	N	27.9	Very low	37.7	Very low	152 Å²	152	120.4 Å²	120.4	81%	0.813	67%	0.672	S	S	*	*			trans	97.2	90.2	176.9	-60.2	-43.6	0	0	0	117.6
488	V	38.7	Very low	36.9	Very low	161 Å²	161	124.4 Å²	124.4	98%	0.976	68%	0.681	S	S	*	*			trans	-76.3	117.2	158	176	0	0	0	0	108.8
489	G	37.2	Very low	35.9	Very low	63 Å²	63	130.8 Å²	130.8	65%	0.649	70%	0.702	S	S	*	*			trans	157.1	117.7	165.7	0	0	0	0	0	113.8
490	Q	31.4	Very low	35.4	Very low	198 Å²	198	134.8 Å²	134.8	93%	0.925	72%	0.718	S	S	*	*			trans	88.1	85	172	-52.3	-176	1.5	0	0	116.2
491	L	30.4	Very low	34.4	Very low	172 Å²	172	140.7 Å²	140.7	90%	0.901	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-80.8	120.6	154	-81	104.5	0	0	0	109.3
492	Y	30.7	Very low	34	Very low	193 Å²	193	141.6 Å²	141.6	76%	0.757	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-78.4	121.8	174.6	178.5	-99.7	0	0	0	110.4	P494	Y492-P494 HydrophobicContact CD1-CB 4.48Å; Y492-P494 HydrophobicContact CD1-CG 4.46Å; Y492-P494 HydrophobicContact CE1-CB 3.72Å; Y492-P494 HydrophobicContact CE1-CG 4.12Å
493	T	38.1	Very low	33.5	Very low	115 Å²	115	138.2 Å²	138.2	71%	0.706	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-99.3	117.5	165.6	-37.7	0	0	0	0	107.3	V495	T493-V495 PolarHBondContact O-N 3.08Å
494	P	31.6	Very low	33.5	Very low	31 Å²	31	133.6 Å²	133.6	20%	0.201	74%	0.742	C	S	.	*	P	Polyproline II helix	trans	-67.9	132.8	176.3	10.2	-6.1	0	0	0	110	Y492 N496 W498	Y492-P494 HydrophobicContact CD1-CB 4.48Å; Y492-P494 HydrophobicContact CD1-CG 4.46Å; Y492-P494 HydrophobicContact CE1-CB 3.72Å; Y492-P494 HydrophobicContact CE1-CG 4.12Å; P494-N496 PolarHBondContact O-N 3.03Å; P494-W498 HydrophobicContact CB-CZ2 4.5Å; P494-W498 HydrophobicContact CG-CD2 4.08Å; P494-W498 HydrophobicContact CG-CH2 3.92Å; P494-W498 HydrophobicContact CG-CZ2 3.18Å
495	V	30.7	Very low	33.5	Very low	130 Å²	130	137.1 Å²	137.1	79%	0.788	76%	0.758	S	S	*	*	S	Bend	trans	-74.5	-11.1	-171	174.6	0	0	0	0	112.7	T493	T493-V495 PolarHBondContact O-N 3.08Å
496	N	30.5	Very low	33.3	Very low	135 Å²	135	137.4 Å²	137.4	72%	0.722	76%	0.76	S	S	*	*	S	Bend	trans	-126.1	117.6	178.5	-60.1	-34.6	0	0	0	108.6	P494 W498	P494-N496 PolarHBondContact O-N 3.03Å; N496-W498 PolarHBondContact O-N 3.12Å
497	G	35.5	Very low	33.3	Very low	69 Å²	69	136.4 Å²	136.4	71%	0.711	76%	0.763	S	S	*	*			trans	-42.3	134.8	-176.6	0	0	0	0	0	113.1	R499	G497-R499 VanDerWaalsContact C-N 3.35Å; G497-R499 PolarHBondContact O-N 3.31Å
498	W	40.1	Very low	34	Very low	176 Å²	176	134.1 Å²	134.1	67%	0.667	76%	0.759	S	S	*	*			trans	-57.8	88.3	-174.6	-62.7	91.3	0	0	0	112	W473 P494 N496	W473-W498 HydrophobicContact CH2-CZ2 4.21Å; W473-W498 HydrophobicContact CZ2-CZ2 4.12Å; W473-W498 AromaticContact CZ2-NE1 3.95Å; P494-W498 HydrophobicContact CB-CZ2 4.5Å; P494-W498 HydrophobicContact CG-CD2 4.08Å; P494-W498 HydrophobicContact CG-CH2 3.92Å; P494-W498 HydrophobicContact CG-CZ2 3.18Å; N496-W498 PolarHBondContact O-N 3.12Å
499	R	35.4	Very low	33.8	Very low	224 Å²	224	133.6 Å²	133.6	85%	0.845	75%	0.751	S	S	*	*			trans	-90.5	130.7	156.2	-90.6	-170.1	-107.7	-116	0.2	107.6	G497	G497-R499 VanDerWaalsContact C-N 3.35Å; G497-R499 PolarHBondContact O-N 3.31Å
500	D	37	Very low	33.9	Very low	147 Å²	147	135.5 Å²	135.5	79%	0.786	75%	0.75	S	S	*	*			trans	73.4	81.1	164.9	-53.1	-29.2	0	0	0	117.7
501	M	27.7	Very low	34.4	Very low	173 Å²	173	131.1 Å²	131.1	85%	0.852	74%	0.741	S	S	*	*			trans	-141.9	82.3	147.1	-81.8	-74.2	-172.8	0	0	108
502	L	33.6	Very low	35.1	Very low	149 Å²	149	124.7 Å²	124.7	78%	0.78	71%	0.707	S	S	*	*			trans	-122.5	109.7	168	-72	173	0	0	0	108.1
503	G	29.4	Very low	36	Very low	71 Å²	71	117.3 Å²	117.3	73%	0.732	68%	0.683	S	S	*	*			trans	-85.3	144.4	158.5	0	0	0	0	0	109.5
504	P	36.5	Very low	37.4	Very low	115 Å²	115	116.2 Å²	116.2	75%	0.747	68%	0.678	S	S	*	*	S	Bend	trans	-76	153.2	167.1	33	-28.4	0	0	0	109
505	D	33.6	Very low	39.7	Very low	161 Å²	161	116.4 Å²	116.4	86%	0.861	68%	0.677	S	S	*	*			trans	88.6	93.9	174.4	-52.1	-23.7	0	0	0	117.2
506	S	29.5	Very low	42.5	Very low	120 Å²	120	110.6 Å²	110.6	84%	0.839	64%	0.642	S	S	*	*			trans	-157.2	104.2	132.5	44.5	0	0	0	0	109.7
507	S	34.5	Very low	45.3	Very low	109 Å²	109	105.4 Å²	105.4	76%	0.762	62%	0.616	S	S	*	*			trans	-72.3	142.6	159.9	51	0	0	0	0	110.3
508	S	41.3	Very low	48.1	Very low	105 Å²	105	102.1 Å²	102.1	73%	0.734	58%	0.582	S	S	*	*	S	Bend	trans	60.9	124.7	162.7	58.3	0	0	0	0	119.2
509	D	36	Very low	50.6	Low	149 Å²	149	94.3 Å²	94.3	80%	0.797	55%	0.553	S	S	*	*			trans	97.7	92.9	163.5	-65.3	-14.2	0	0	0	117.1
510	T	38.6	Very low	53.3	Low	104 Å²	104	84.9 Å²	84.9	64%	0.638	52%	0.519	S	S	*	.			trans	-100.1	107.3	170.2	52.5	0	0	0	0	109
511	S	41.6	Very low	55.9	Low	105 Å²	105	78.5 Å²	78.5	73%	0.734	48%	0.484	S	S	*	.			trans	-96.9	29	-177	66.5	0	0	0	0	114.5
512	D	45.5	Very low	58.9	Low	37 Å²	37	71.2 Å²	71.2	20%	0.198	45%	0.451	C	S	.	.	S	Bend	trans	-131.4	138.5	167.1	-78.9	-48.2	0	0	0	109.3
513	P	49.8	Very low	61.6	Low	38 Å²	38	64.1 Å²	64.1	25%	0.247	41%	0.414	C	S	.	.			trans	-69.3	129.7	-176.5	26	-30.9	0	0	0	110.2	K155 L158	K155-P513 WeakPolarHBondContact O-CG 3.16Å; L158-P513 HydrophobicContact CB-CB 4.3Å; L158-P513 HydrophobicContact CB-CG 4.11Å
514	P	68	Low	64.5	Low	92 Å²	92	61.1 Å²	61.1	60%	0.597	38%	0.381	S	S	*	.			trans	-58.2	148.9	168.8	26.4	-32.9	0	0	0	109.5
515	L	79.1	Confident	67	Low	36 Å²	36	56.4 Å²	56.4	19%	0.188	35%	0.348	C	S	.	.			trans	-44.4	133	172.3	-71.7	167.7	0	0	0	110.1	Q145 L149 S453 L456 L470	Q145-L515 HydrophobicContact CB-CD2 4.39Å; Q145-L515 HydrophobicContact CG-CD2 4.38Å; Q145-L515 VanDerWaalsContact NE2-CD1 3.27Å; L149-L515 HydrophobicContact CD1-CD2 3.65Å; S453-L515 WeakPolarHBondContact CB-O 3.43Å; S453-L515 PolarHBondContact OG-O 3.45Å; L456-L515 HydrophobicContact CD1-CD1 4.38Å; L470-L515 HydrophobicContact CD1-CD1 4.12Å
516	P	88.6	Confident	69.6	Low	8 Å²	8	49.6 Å²	49.6	5%	0.052	31%	0.313	C	S	.	.			trans	-59.6	148.5	-173.3	24.6	-33.2	0	0	0	110.8	L149 L158 F452 S453 L523	L149-P516 HydrophobicContact CD1-CG 4.26Å; L158-P516 HydrophobicContact CD2-CB 4.38Å; L158-P516 HydrophobicContact CD2-CG 4.21Å; F452-P516 VanDerWaalsContact CA-O 3.28Å; F452-P516 WeakPolarHBondContact CA-O 3.4Å; F452-P516 HydrophobicContact CD1-CB 4.46Å; F452-P516 HydrophobicContact CD1-CG 4.15Å; F452-P516 HydrophobicContact CE1-CG 4.25Å; S453-P516 PolarHBondContact N-O 3.25Å; S453-P516 PolarHBondContact OG-O 3.24Å; P516-L523 HydrophobicContact CG-CD1 3.85Å; P516-L523 HydrophobicContact CB-CD1 3.63Å
517	P	90.6	Very high	72.3	Confident	26 Å²	26	52.6 Å²	52.6	17%	0.169	31%	0.306	C	S	.	.			trans	-72.1	157.7	173.5	32.1	-33.7	0	0	0	110	W169 F452 W519 D520	W169-P517 HydrophobicContact CH2-CB 3.63Å; W169-P517 HydrophobicContact CH2-CG 3.56Å; W169-P517 HydrophobicContact CZ3-CB 3.76Å; W169-P517 HydrophobicContact CZ3-CG 4.18Å; F452-P517 WeakPolarHBondContact CD1-O 3.38Å; P517-W519 VanDerWaalsContact O-N 3.13Å; P517-W519 PolarHBondContact O-N 3.27Å; P517-D520 PolarHBondContact O-N 2.93Å
518	V	92.8	Very high	74.8	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.1	177.7	76.5	0	0	0	0	113.3	F452 T454 F455 D520 Q524	F452-V518 HydrophobicContact CB-CB 3.88Å; F452-V518 HydrophobicContact CB-CG2 4.28Å; F452-V518 HydrophobicContact CD2-CG2 4.15Å; F452-V518 HydrophobicContact CG-CB 4.19Å; F452-V518 HydrophobicContact CG-CG2 4.23Å; T454-V518 HydrophobicContact CG2-CB 4.5Å; T454-V518 HydrophobicContact CG2-CG1 3.69Å; T454-V518 WeakPolarHBondContact OG1-CG1 3.5Å; T454-V518 PolarHBondContact OG1-N 3.34Å; F455-V518 HydrophobicContact CD2-CB 4.46Å; F455-V518 HydrophobicContact CD2-CG1 4.48Å; F455-V518 HydrophobicContact CD2-CG2 4.23Å; F455-V518 HydrophobicContact CE2-CB 4.12Å; F455-V518 HydrophobicContact CE2-CG1 3.79Å; F455-V518 HydrophobicContact CE2-CG2 3.83Å; F455-V518 HydrophobicContact CZ-CG1 3.93Å; V518-D520 PolarHBondContact O-N 3.15Å; V518-Q524 PolarHBondContact O-NE2 3.05Å
519	W	93.6	Very high	77	Confident	12 Å²	12	53.7 Å²	53.7	5%	0.045	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-7	-178.9	-44.8	125.2	0	0	0	113.5	M167 W169 Q383 V386 L443 T454 F455 P517 W521	M167-W519 VanDerWaalsContact CE-CD1 3.42Å; M167-W519 HydrophobicContact CE-CD2 4.24Å; M167-W519 HydrophobicContact CE-CG 4.02Å; M167-W519 VanDerWaalsContact CE-NE1 3.31Å; M167-W519 HydrophobicContact SD-CB 4.11Å; M167-W519 HydrophobicContact SD-CD2 4.23Å; M167-W519 HydrophobicContact SD-CG 3.72Å; W169-W519 HydrophobicContact CH2-CB 4.3Å; W169-W519 AromaticContact CH2-CD1 3.57Å; W169-W519 HydrophobicContact CH2-CG 4.33Å; W169-W519 AromaticContact CZ3-CD1 3.39Å; W169-W519 HydrophobicContact CZ3-CG 4.49Å; Q383-W519 HydrophobicContact CB-CD2 4.19Å; Q383-W519 HydrophobicContact CB-CE3 4Å; Q383-W519 HydrophobicContact CB-CH2 4.46Å; Q383-W519 HydrophobicContact CB-CZ3 4.14Å; Q383-W519 HydrophobicContact CG-CD2 4.18Å; Q383-W519 HydrophobicContact CG-CE3 3.57Å; Q383-W519 HydrophobicContact CG-CZ3 3.79Å; V386-W519 HydrophobicContact CB-CH2 3.75Å; V386-W519 HydrophobicContact CB-CZ2 4.09Å; V386-W519 HydrophobicContact CG1-CH2 3.68Å; V386-W519 HydrophobicContact CG1-CZ2 3.95Å; V386-W519 HydrophobicContact CG2-CH2 4.45Å; L443-W519 HydrophobicContact CD1-CH2 3.95Å; L443-W519 HydrophobicContact CD1-CZ3 3.67Å; T454-W519 HydrophobicContact CG2-CZ2 4.21Å; F455-W519 HydrophobicContact CZ-CH2 4.4Å; P517-W519 VanDerWaalsContact O-N 3.13Å; P517-W519 PolarHBondContact O-N 3.27Å; W519-W521 HydrophobicContact CE3-CH2 4.46Å; W519-W521 AromaticContact CE3-CZ2 3.75Å; W519-W521 HydrophobicContact CE3-CZ2 3.75Å; W519-W521 HydrophobicContact CZ3-CZ2 4Å; W519-W521 VanDerWaalsContact O-CD1 3.32Å; W519-W521 PolarHBondContact O-N 2.89Å
520	D	91.4	Very high	79.7	Confident	25 Å²	25	50.8 Å²	50.8	13%	0.134	26%	0.262	C	S	.	.			trans	-79.2	71.1	172.6	-162.7	-15.9	0	0	0	111.1	R161 P517 V518 A522 L523	R161-D520 WeakPolarHBondContact CD-OD2 3.35Å; R161-D520 IonicContact CZ-OD1 3.34Å; R161-D520 IonicContact CZ-OD2 2.84Å; R161-D520 IonicContact NE-OD1 2.75Å; R161-D520 IonicContact NE-OD2 2.76Å; R161-D520 PolarHBondContact NE-OD2 3.43Å; R161-D520 IonicContact NH2-OD1 3.78Å; R161-D520 PolarHBondContact NH2-OD1 3.07Å; R161-D520 IonicContact NH2-OD2 2.82Å; R161-D520 PolarHBondContact NH2-OD2 3.31Å; P517-D520 PolarHBondContact O-N 2.93Å; V518-D520 PolarHBondContact O-N 3.15Å; D520-A522 PolarHBondContact O-N 2.79Å; D520-A522 VanDerWaalsContact O-N 3.16Å; D520-L523 HydrophobicContact CB-CD1 3.99Å; D520-L523 WeakPolarHBondContact OD2-CD1 3.45Å; D520-L523 VanDerWaalsContact O-N 3.09Å; D520-L523 PolarHBondContact O-N 2.83Å; D520-L523 WeakPolarHBondContact O-CB 3.2Å; D520-L523 HydrophobicContact CB-CG 4.27Å
521	W	92.3	Very high	82.3	Confident	14 Å²	14	50.8 Å²	50.8	5%	0.053	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-27.8	-173.9	-61.7	119.3	0	0	0	113.5	F439 A442 L443 W519 L523 Q524 Y525 R530 F533	F439-W521 HydrophobicContact CD2-CZ2 4.44Å; F439-W521 AromaticContact CE2-CZ2 3.69Å; F439-W521 HydrophobicContact CE2-CZ2 3.69Å; F439-W521 HydrophobicContact CZ-CZ2 4.2Å; A442-W521 HydrophobicContact CB-CZ3 4.31Å; L443-W521 HydrophobicContact CB-CH2 4.22Å; L443-W521 HydrophobicContact CD1-CH2 4.08Å; W519-W521 HydrophobicContact CE3-CH2 4.46Å; W519-W521 AromaticContact CE3-CZ2 3.75Å; W519-W521 HydrophobicContact CE3-CZ2 3.75Å; W519-W521 HydrophobicContact CZ3-CZ2 4Å; W519-W521 VanDerWaalsContact O-CD1 3.32Å; W519-W521 PolarHBondContact O-N 2.89Å; W521-L523 PolarHBondContact O-N 2.86Å; W521-Q524 PolarHBondContact O-N 3Å; W521-Y525 PolarHBondContact O-N 3.21Å; W521-Y525 HydrophobicContact CZ3-CE2 4.02Å; W521-Y525 HydrophobicContact CZ3-CD2 4.48Å; W521-Y525 HydrophobicContact CE3-CE2 3.92Å; W521-Y525 HydrophobicContact CE3-CD2 3.93Å; W521-Y525 AromaticContact CE3-CD2 3.93Å; W521-Y525 AromaticContact CE3-CE2 3.92Å; W521-R530 HydrophobicContact CB-CG 4.19Å; W521-F533 HydrophobicContact CG-CE2 3.84Å; W521-F533 AromaticContact CG-CE2 3.84Å; W521-F533 HydrophobicContact CG-CD2 4.45Å; W521-F533 HydrophobicContact CE3-CZ 4.35Å; W521-F533 HydrophobicContact CE3-CE2 3.89Å; W521-F533 AromaticContact CE3-CE2 3.89Å; W521-F533 HydrophobicContact CD2-CE2 3.71Å; W521-F533 AromaticContact CD2-CE2 3.71Å; W521-F533 HydrophobicContact CB-CE2 4.15Å
522	A	90.6	Very high	84.7	Confident	19 Å²	19	47 Å²	47	16%	0.157	24%	0.235	C	C	.	.	H	α-helix	trans	-68	-21.4	179.3	0	0	0	0	0	113.1	D520 Q524	D520-A522 PolarHBondContact O-N 2.79Å; D520-A522 VanDerWaalsContact O-N 3.16Å; A522-Q524 VanDerWaalsContact C-N 3.32Å
523	L	89.8	Confident	87.1	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-76	-22.2	170.7	-66.1	178.5	0	0	0	112.8	L61 F157 L158 P516 D520 W521	L61-L523 WeakPolarHBondContact CB-O 3.38Å; L61-L523 HydrophobicContact CD1-CB 4.15Å; L61-L523 HydrophobicContact CG-CB 4.48Å; L61-L523 WeakPolarHBondContact CG-O 3.15Å; L61-L523 PolarHBondContact N-O 3.32Å; F157-L523 HydrophobicContact CE1-CD2 3.6Å; F157-L523 HydrophobicContact CZ-CD2 4.3Å; L158-L523 HydrophobicContact CD2-CD1 3.83Å; L158-L523 HydrophobicContact CD2-CD2 4.31Å; P516-L523 HydrophobicContact CG-CD1 3.85Å; P516-L523 HydrophobicContact CB-CD1 3.63Å; D520-L523 HydrophobicContact CB-CD1 3.99Å; D520-L523 WeakPolarHBondContact OD2-CD1 3.45Å; D520-L523 VanDerWaalsContact O-N 3.09Å; D520-L523 PolarHBondContact O-N 2.83Å; D520-L523 WeakPolarHBondContact O-CB 3.2Å; D520-L523 HydrophobicContact CB-CG 4.27Å; W521-L523 PolarHBondContact O-N 2.86Å
524	Q	90.2	Very high	89.3	Confident	8 Å²	8	46 Å²	46	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-105.2	-36.7	-170.4	-70.7	177.1	84	0	0	112.9	S446 F452 V518 W521 A522	S446-Q524 PolarHBondContact OG-OE1 2.83Å; F452-Q524 HydrophobicContact CE1-CG 3.93Å; F452-Q524 HydrophobicContact CE2-CG 3.67Å; F452-Q524 HydrophobicContact CZ-CG 3.16Å; V518-Q524 PolarHBondContact O-NE2 3.05Å; W521-Q524 PolarHBondContact O-N 3Å; A522-Q524 VanDerWaalsContact C-N 3.32Å
525	Y	90.2	Very high	90.5	Very high	16 Å²	16	44 Å²	44	6%	0.063	21%	0.212	C	C	.	.	S	Bend	trans	-134.6	141.6	-168.5	-61.5	-76.7	0	0	0	111.2	A442 W521 R530 F533	A442-Y525 WeakPolarHBondContact CA-OH 3.21Å; A442-Y525 HydrophobicContact CB-CD2 4.37Å; A442-Y525 HydrophobicContact CB-CE1 4.35Å; A442-Y525 HydrophobicContact CB-CE2 3.65Å; A442-Y525 PolarHBondContact O-OH 3.45Å; W521-Y525 PolarHBondContact O-N 3.21Å; W521-Y525 HydrophobicContact CZ3-CE2 4.02Å; W521-Y525 HydrophobicContact CZ3-CD2 4.48Å; W521-Y525 HydrophobicContact CE3-CE2 3.92Å; W521-Y525 HydrophobicContact CE3-CD2 3.93Å; W521-Y525 AromaticContact CE3-CD2 3.93Å; W521-Y525 AromaticContact CE3-CE2 3.92Å; Y525-R530 PolarHBondContact O-NE 3.41Å; Y525-F533 HydrophobicContact CD2-CE2 4.39Å; Y525-F533 AromaticContact CD2-CZ 3.7Å; Y525-F533 HydrophobicContact CD2-CZ 3.7Å; Y525-F533 HydrophobicContact CE2-CZ 4.16Å; Y525-F533 AromaticContact CG-CZ 4Å; Y525-F533 HydrophobicContact CG-CZ 4Å
526	S	86.9	Confident	90.9	Very high	18 Å²	18	48.4 Å²	48.4	13%	0.126	24%	0.243	C	C	.	.			trans	-58.9	159.8	172.4	67.9	0	0	0	0	111.1	E528 R529 R530	S526-E528 VanDerWaalsContact C-N 3.26Å; S526-E528 PolarHBondContact O-N 2.86Å; S526-R529 PolarHBondContact O-N 3.43Å; S526-R529 PolarHBondContact OG-N 2.91Å; S526-R530 WeakPolarHBondContact O-CG 3.07Å; S526-R530 PolarHBondContact O-N 3.22Å
527	R	87.4	Confident	90.7	Very high	182 Å²	182	51 Å²	51	69%	0.687	26%	0.259	S	S	*	.	H	α-helix	trans	-56.4	-43.9	176.2	-175.7	177	179.5	173.9	0.7	111.5	R529 R530 D531	R527-R529 VanDerWaalsContact C-N 3.34Å; R527-R529 PolarHBondContact O-N 2.88Å; R527-R530 PolarHBondContact O-N 3.11Å; R527-R530 VanDerWaalsContact O-N 3.1Å; R527-D531 VanDerWaalsContact O-CG 3.23Å; R527-D531 PolarHBondContact O-N 2.75Å
528	E	86.5	Confident	89.6	Confident	161 Å²	161	53 Å²	53	75%	0.752	28%	0.277	S	S	*	.	H	α-helix	trans	-57.6	-44	178.8	-64.4	173.2	-176	0	0	112.3	S526 D531	S526-E528 VanDerWaalsContact C-N 3.26Å; S526-E528 PolarHBondContact O-N 2.86Å; E528-D531 PolarHBondContact O-N 2.94Å
529	R	88.2	Confident	88	Confident	77 Å²	77	58.9 Å²	58.9	29%	0.291	32%	0.315	S	S	.	.	H	α-helix	trans	-68.3	-37.2	175.8	-74.9	-149.5	-87	165	-0.6	112.6	D64 S526 R527 D531 G532 F533	D64-R529 IonicContact OD1-CZ 2.75Å; D64-R529 IonicContact OD1-NE 3.54Å; D64-R529 PolarHBondContact OD1-NE 3.43Å; D64-R529 IonicContact OD1-NH2 3.48Å; D64-R529 PolarHBondContact OD1-NH2 2.96Å; S526-R529 PolarHBondContact O-N 3.43Å; S526-R529 PolarHBondContact OG-N 2.91Å; R527-R529 VanDerWaalsContact C-N 3.34Å; R527-R529 PolarHBondContact O-N 2.88Å; R529-D531 VanDerWaalsContact C-N 3.34Å; R529-G532 PolarHBondContact O-N 3.09Å; R529-F533 WeakPolarHBondContact O-CD1 3.33Å
530	R	92.6	Very high	86.2	Confident	88 Å²	88	62.1 Å²	62.1	33%	0.332	33%	0.332	S	S	.	.	H	α-helix	trans	-68.5	-32.6	177.2	-69.2	-173.4	-65	128.5	-4.4	112.7	W521 Y525 S526 R527 G532 F533	W521-R530 HydrophobicContact CB-CG 4.19Å; Y525-R530 PolarHBondContact O-NE 3.41Å; S526-R530 WeakPolarHBondContact O-CG 3.07Å; S526-R530 PolarHBondContact O-N 3.22Å; R527-R530 PolarHBondContact O-N 3.11Å; R527-R530 VanDerWaalsContact O-N 3.1Å; R530-G532 PolarHBondContact O-N 2.99Å; R530-F533 HydrophobicContact CG-CD2 4.5Å; R530-F533 HydrophobicContact CG-CE2 4.17Å; R530-F533 HydrophobicContact CG-CZ 4.42Å; R530-F533 VanDerWaalsContact O-CB 3.31Å; R530-F533 WeakPolarHBondContact O-CB 3.32Å; R530-F533 PolarHBondContact O-N 2.81Å
531	D	91.8	Very high	83.9	Confident	103 Å²	103	66.2 Å²	66.2	55%	0.551	36%	0.36	S	S	*	.	H	α-helix	trans	-62.9	-24.7	174.7	-66.5	-20.6	0	0	0	111.2	R527 E528 R529	R527-D531 VanDerWaalsContact O-CG 3.23Å; R527-D531 PolarHBondContact O-N 2.75Å; E528-D531 PolarHBondContact O-N 2.94Å; R529-D531 VanDerWaalsContact C-N 3.34Å
532	G	93.3	Very high	81.4	Confident	25 Å²	25	71 Å²	71	26%	0.258	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-8.9	172.8	0	0	0	0	0	115.5	T436 R529 R530 V534	T436-G532 WeakPolarHBondContact CB-O 3.18Å; T436-G532 VanDerWaalsContact CG2-O 3.3Å; T436-G532 WeakPolarHBondContact CG2-O 3.48Å; T436-G532 PolarHBondContact OG1-O 2.99Å; R529-G532 PolarHBondContact O-N 3.09Å; R530-G532 PolarHBondContact O-N 2.99Å; G532-V534 PolarHBondContact O-N 3.33Å
533	F	95.6	Very high	79.1	Confident	5 Å²	5	77 Å²	77	2%	0.022	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.9	-178.2	-74.7	4.3	0	0	0	113.5	T436 D438 F439 A442 W521 Y525 R529 R530	T436-F533 PolarHBondContact N-O 3.39Å; T436-F533 VanDerWaalsContact N-O 3.09Å; T436-F533 VanDerWaalsContact OG1-C 3.3Å; T436-F533 WeakPolarHBondContact OG1-CA 3.45Å; T436-F533 PolarHBondContact OG1-O 3.3Å; D438-F533 HydrophobicContact CB-CD1 4.48Å; F439-F533 HydrophobicContact CB-CB 3.97Å; F439-F533 HydrophobicContact CB-CD1 4.38Å; F439-F533 HydrophobicContact CB-CG 4.12Å; F439-F533 WeakPolarHBondContact CB-O 3.49Å; F439-F533 HydrophobicContact CD2-CB 4.09Å; F439-F533 AromaticContact CD2-CD2 3.77Å; F439-F533 HydrophobicContact CD2-CD2 3.77Å; F439-F533 HydrophobicContact CD2-CE2 4.39Å; F439-F533 HydrophobicContact CD2-CG 4.04Å; A442-F533 HydrophobicContact CB-CE1 3.63Å; A442-F533 HydrophobicContact CB-CE2 4.24Å; A442-F533 HydrophobicContact CB-CZ 3.37Å; W521-F533 HydrophobicContact CG-CE2 3.84Å; W521-F533 AromaticContact CG-CE2 3.84Å; W521-F533 HydrophobicContact CG-CD2 4.45Å; W521-F533 HydrophobicContact CE3-CZ 4.35Å; W521-F533 HydrophobicContact CE3-CE2 3.89Å; W521-F533 AromaticContact CE3-CE2 3.89Å; W521-F533 HydrophobicContact CD2-CE2 3.71Å; W521-F533 AromaticContact CD2-CE2 3.71Å; W521-F533 HydrophobicContact CB-CE2 4.15Å; Y525-F533 HydrophobicContact CD2-CE2 4.39Å; Y525-F533 AromaticContact CD2-CZ 3.7Å; Y525-F533 HydrophobicContact CD2-CZ 3.7Å; Y525-F533 HydrophobicContact CE2-CZ 4.16Å; Y525-F533 AromaticContact CG-CZ 4Å; Y525-F533 HydrophobicContact CG-CZ 4Å; R529-F533 WeakPolarHBondContact O-CD1 3.33Å; R530-F533 HydrophobicContact CG-CD2 4.5Å; R530-F533 HydrophobicContact CG-CE2 4.17Å; R530-F533 HydrophobicContact CG-CZ 4.42Å; R530-F533 VanDerWaalsContact O-CB 3.31Å; R530-F533 WeakPolarHBondContact O-CB 3.32Å; R530-F533 PolarHBondContact O-N 2.81Å
534	V	95.4	Very high	76.3	Confident	49 Å²	49	85.5 Å²	85.5	30%	0.297	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-129.4	150.2	-174.6	-65.3	0	0	0	0	111.9	Q379 Q434 G532	Q379-V534 HydrophobicContact CB-CG1 3.93Å; Q379-V534 HydrophobicContact CG-CG1 4.5Å; Q434-V534 HydrophobicContact CG-CB 4.1Å; Q434-V534 HydrophobicContact CG-CG1 4.13Å; Q434-V534 CarbonylContact O-C 3.21Å; Q434-V534 WeakPolarHBondContact O-CA 3.49Å; G532-V534 PolarHBondContact O-N 3.33Å
535	Q	92.9	Very high	73.4	Confident	50 Å²	50	93.2 Å²	93.2	23%	0.234	50%	0.502	C	S	.	.			trans	-127.6	154.2	173.9	63.1	-175.6	12.1	0	0	110.3	P430 F433 Q434 T436 V537	P430-Q535 PolarHBondContact O-NE2 2.78Å; F433-Q535 WeakPolarHBondContact O-CG 3.45Å; F433-Q535 PolarHBondContact O-NE2 2.9Å; Q434-Q535 PolarHBondContact O-N 3.16Å; T436-Q535 HydrophobicContact CG2-CB 3.97Å; T436-Q535 HydrophobicContact CG2-CG 4.14Å; Q535-V537 PolarHBondContact O-N 2.78Å
536	P	89.2	Confident	70.9	Confident	129 Å²	129	99.9 Å²	99.9	84%	0.838	54%	0.538	S	S	*	.			trans	-62.5	134.7	175.2	-20.5	32.5	0	0	0	111.6
537	V	83.5	Confident	68.2	Low	63 Å²	63	107.9 Å²	107.9	38%	0.382	57%	0.573	S	S	.	*			trans	-104.7	128.1	174	-174.2	0	0	0	0	108.4	S431 Q434 Q535	S431-V537 WeakPolarHBondContact O-CG1 3.42Å; Q434-V537 HydrophobicContact CB-CG2 3.65Å; Q434-V537 HydrophobicContact CG-CG2 4.21Å; Q434-V537 VanDerWaalsContact N-CG2 3.3Å; Q535-V537 PolarHBondContact O-N 2.78Å
538	A	68.4	Low	65.8	Low	67 Å²	67	107.4 Å²	107.4	55%	0.554	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-63.1	136.4	172.5	0	0	0	0	0	109.3	M540	A538-M540 PolarHBondContact O-N 3.3Å; A538-M540 VanDerWaalsContact O-N 3.15Å
539	P	59.2	Low	63.3	Low	124 Å²	124	102.8 Å²	102.8	81%	0.805	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-56.8	125.4	178.4	20.8	-29.8	0	0	0	109.4
540	M	55.3	Low	60.4	Low	81 Å²	81	107.2 Å²	107.2	40%	0.399	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-62.4	130.9	175.3	-66.2	-142.5	-52.8	0	0	108.2	P374 R432 A538	P374-M540 HydrophobicContact CB-CE 4.35Å; P374-M540 HydrophobicContact CG-CE 3.56Å; P374-M540 HydrophobicContact CG-SD 4.49Å; R432-M540 PolarHBondContact NH1-SD 3.25Å; A538-M540 PolarHBondContact O-N 3.3Å; A538-M540 VanDerWaalsContact O-N 3.15Å
541	P	42.1	Very low	57.9	Low	111 Å²	111	110.9 Å²	110.9	72%	0.721	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-57.7	139.8	168.2	23.5	-29.7	0	0	0	108.2	L543	P541-L543 PolarHBondContact O-N 2.8Å
542	P	39.4	Very low	54.9	Low	115 Å²	115	113 Å²	113	75%	0.747	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-54.7	138	177.9	21.2	-30.9	0	0	0	109.4	Q544	P542-Q544 PolarHBondContact O-N 3.05Å
543	L	42.3	Very low	52.1	Low	143 Å²	143	117.2 Å²	117.2	75%	0.749	67%	0.667	S	S	*	*			trans	-50.9	104.9	175.6	-77.1	163.4	0	0	0	108.6	P541 L545	P541-L543 PolarHBondContact O-N 2.8Å; L543-L545 PolarHBondContact O-N 2.99Å
544	Q	31.2	Very low	48.7	Very low	181 Å²	181	124.8 Å²	124.8	85%	0.846	71%	0.708	S	S	*	*			trans	-67.4	118.7	169.1	-75.1	-175.7	-9.8	0	0	106.8	P542 L546	P542-Q544 PolarHBondContact O-N 3.05Å; Q544-L546 VanDerWaalsContact C-N 3.35Å; Q544-L546 PolarHBondContact O-N 3.02Å
545	L	30.9	Very low	46	Very low	169 Å²	169	129 Å²	129	89%	0.885	73%	0.728	S	S	*	*			trans	-52.9	103	163.5	-90.2	143.6	0	0	0	107.1	L543 Q547	L543-L545 PolarHBondContact O-N 2.99Å; L545-Q547 VanDerWaalsContact C-N 3.32Å; L545-Q547 PolarHBondContact O-N 2.8Å
546	L	35.9	Very low	43.2	Very low	157 Å²	157	133.7 Å²	133.7	82%	0.822	76%	0.755	S	S	*	*			trans	-58.4	99.5	170.9	-86.9	158.4	0	0	0	107.5	Q544	Q544-L546 VanDerWaalsContact C-N 3.35Å; Q544-L546 PolarHBondContact O-N 3.02Å
547	Q	30.4	Very low	40.4	Very low	185 Å²	185	133.6 Å²	133.6	86%	0.864	75%	0.752	S	S	*	*			trans	-64.8	131.2	163.7	-80.9	-179.7	-25.2	0	0	107.9	L545	L545-Q547 VanDerWaalsContact C-N 3.32Å; L545-Q547 PolarHBondContact O-N 2.8Å
548	N	37.8	Very low	38	Very low	172 Å²	172	135.9 Å²	135.9	92%	0.92	76%	0.758	S	S	*	*	S	Bend	trans	-40.5	139.1	-178.5	-72.2	-23.4	0	0	0	114.4
549	G	33.6	Very low	36.7	Very low	65 Å²	65	141.2 Å²	141.2	67%	0.67	76%	0.764	S	S	*	*			trans	135.8	83.6	150.6	0	0	0	0	0	115.7
550	N	28.2	Very low	35.9	Very low	170 Å²	170	137.9 Å²	137.9	91%	0.909	74%	0.741	S	S	*	*				167.6	121.5	120.2	-84.8	-22.7	0	0	0	111.5
551	L	40.2	Very low	34.7	Very low	165 Å²	165	138.8 Å²	138.8	86%	0.864	74%	0.743	S	S	*	*			trans	-79.2	141	168.9	-85.2	132.8	0	0	0	110.6
552	N	29	Very low	34.6	Very low	146 Å²	146	136.8 Å²	136.8	78%	0.781	73%	0.728	S	S	*	*			trans	131.5	136.8	156.9	-72	-19.3	0	0	0	111
553	T	33	Very low	34.9	Very low	114 Å²	114	131.4 Å²	131.4	70%	0.699	69%	0.694	S	S	*	*			cis	-170	132.8	-7.1	23.3	0	0	0	0	106
554	N	25.5	Very low	34.9	Very low	164 Å²	164	124.8 Å²	124.8	88%	0.877	66%	0.659	S	S	*	*			trans	154.6	87.3	144.1	-91	-37.8	0	0	0	110.2
555	L	38.7	Very low	35.2	Very low	137 Å²	137	122 Å²	122	72%	0.717	65%	0.646	S	S	*	*			trans	-87.3	119.2	164.3	-81.1	107.6	0	0	0	107
556	D	33.9	Very low	35.4	Very low	149 Å²	149	117.5 Å²	117.5	80%	0.797	63%	0.626	S	S	*	*	S	Bend	trans	-179.1	5.7	135.6	-90.5	-17.2	0	0	0	116.3
557	T	29.1	Very low	35.6	Very low	127 Å²	127	111.5 Å²	111.5	78%	0.779	59%	0.594	S	S	*	*	S	Bend	trans	-137.3	12	179.5	34.6	0	0	0	0	116.8
558	H	33.9	Very low	35.8	Very low	111 Å²	111	107.9 Å²	107.9	51%	0.514	58%	0.58	S	S	.	*			trans	-131	26.3	-169.9	-76.7	-25.8	0	0	0	117.7	V560 K561 V562	H558-V560 VanDerWaalsContact C-N 3.35Å; H558-V560 PolarHBondContact O-N 3.05Å; H558-K561 PolarHBondContact O-N 2.88Å; H558-V562 WeakPolarHBondContact O-CG2 3.48Å; H558-V562 PolarHBondContact O-N 2.82Å
559	R	41.9	Very low	35.7	Very low	179 Å²	179	104.5 Å²	104.5	68%	0.675	56%	0.563	S	S	*	*	H	α-helix	trans	-64.9	-27.9	-176.6	-76	-174.1	173.7	-172	-0.3	115.6	S337 T563	S337-R559 PolarHBondContact OG-O 2.73Å; R559-T563 PolarHBondContact O-OG1 2.92Å
560	V	40.7	Very low	35.8	Very low	54 Å²	54	106.7 Å²	106.7	33%	0.327	56%	0.557	S	S	.	*	H	α-helix	trans	-81.5	-34.9	177.4	-178.9	0	0	0	0	112.4	H558 V562 T563	H558-V560 VanDerWaalsContact C-N 3.35Å; H558-V560 PolarHBondContact O-N 3.05Å; V560-V562 PolarHBondContact O-N 2.93Å; V560-T563 PolarHBondContact O-N 2.66Å
561	K	31.8	Very low	36.3	Very low	100 Å²	100	102.9 Å²	102.9	44%	0.435	54%	0.536	S	S	.	.	H	α-helix	trans	-66.9	-37.5	-179.2	-75.9	-174.3	177.2	-179.3	0	112.2	H558 T563 Q565	H558-K561 PolarHBondContact O-N 2.88Å; K561-T563 VanDerWaalsContact C-N 3.32Å; K561-T563 PolarHBondContact O-N 3.37Å; K561-Q565 WeakPolarHBondContact O-CB 3.49Å; K561-Q565 WeakPolarHBondContact O-CG 3.05Å; K561-Q565 PolarHBondContact O-N 3.16Å; K561-Q565 PolarHBondContact O-OE1 3.06Å
562	V	39.8	Very low	36.1	Very low	69 Å²	69	99.1 Å²	99.1	42%	0.418	52%	0.515	S	S	.	.	H	α-helix	trans	-72.6	-23	-176.9	178.6	0	0	0	0	112.6	R344 H558 V560 T566	R344-V562 PolarHBondContact NH1-O 2.77Å; R344-V562 PolarHBondContact NH2-O 3.15Å; H558-V562 WeakPolarHBondContact O-CG2 3.48Å; H558-V562 PolarHBondContact O-N 2.82Å; V560-V562 PolarHBondContact O-N 2.93Å; V562-T566 WeakPolarHBondContact CG1-OG1 3.39Å; V562-T566 WeakPolarHBondContact O-CB 3.03Å; V562-T566 PolarHBondContact O-N 3.11Å; V562-T566 PolarHBondContact O-OG1 2.7Å
563	T	46.1	Very low	36.5	Very low	3 Å²	3	95.9 Å²	95.9	2%	0.018	50%	0.498	C	S	.	.	H	α-helix	trans	-71.5	-41.9	-177	-49.6	0	0	0	0	111.8	S337 R344 R559 V560 K561	S337-T563 PolarHBondContact OG-OG1 2.83Å; R344-T563 VanDerWaalsContact NH2-CA 3.33Å; R344-T563 PolarHBondContact NH2-O 2.71Å; R559-T563 PolarHBondContact O-OG1 2.92Å; V560-T563 PolarHBondContact O-N 2.66Å; K561-T563 VanDerWaalsContact C-N 3.32Å; K561-T563 PolarHBondContact O-N 3.37Å
564	I	42.1	Very low	36.8	Very low	3 Å²	3	94.6 Å²	94.6	2%	0.015	48%	0.483	C	S	.	.	H	α-helix	trans	-94.4	-22.3	178.2	-63.5	171	0	0	0	112.6	M371 L425 F429 R432	M371-I564 HydrophobicContact CG-CD1 4.47Å; L425-I564 HydrophobicContact CD2-CD1 3.62Å; F429-I564 HydrophobicContact CB-CG2 4.13Å; F429-I564 HydrophobicContact CD1-CB 4.45Å; F429-I564 HydrophobicContact CD1-CG2 3.81Å; F429-I564 HydrophobicContact CD2-CB 4.04Å; F429-I564 HydrophobicContact CD2-CD1 3.5Å; F429-I564 HydrophobicContact CD2-CG1 4.36Å; F429-I564 HydrophobicContact CD2-CG2 3.74Å; F429-I564 HydrophobicContact CE1-CB 4.27Å; F429-I564 HydrophobicContact CE1-CG2 4.11Å; F429-I564 HydrophobicContact CE2-CB 3.86Å; F429-I564 HydrophobicContact CE2-CD1 3.55Å; F429-I564 HydrophobicContact CE2-CG1 4.23Å; F429-I564 HydrophobicContact CE2-CG2 4.06Å; F429-I564 HydrophobicContact CG-CB 4.33Å; F429-I564 HydrophobicContact CG-CD1 4.43Å; F429-I564 HydrophobicContact CG-CG2 3.61Å; F429-I564 HydrophobicContact CZ-CB 3.97Å; F429-I564 HydrophobicContact CZ-CD1 4.48Å; F429-I564 HydrophobicContact CZ-CG2 4.23Å; R432-I564 HydrophobicContact CG-CG2 4.36Å; R432-I564 PolarHBondContact NH2-O 3.21Å
565	Q	37.1	Very low	37.6	Very low	124 Å²	124	89.3 Å²	89.3	58%	0.579	45%	0.453	S	S	*	.	H	α-helix	trans	-76.4	-23	175.4	-73.3	178.1	-25.9	0	0	113.7	F429 K561	F429-Q565 HydrophobicContact CE1-CG 4.27Å; K561-Q565 WeakPolarHBondContact O-CB 3.49Å; K561-Q565 WeakPolarHBondContact O-CG 3.05Å; K561-Q565 PolarHBondContact O-N 3.16Å; K561-Q565 PolarHBondContact O-OE1 3.06Å
566	T	35.8	Very low	37.6	Very low	74 Å²	74	85.3 Å²	85.3	45%	0.454	43%	0.431	S	S	.	.			trans	-109.8	4.8	-175.6	-21.9	0	0	0	0	113.6	V562	V562-T566 WeakPolarHBondContact CG1-OG1 3.39Å; V562-T566 WeakPolarHBondContact O-CB 3.03Å; V562-T566 PolarHBondContact O-N 3.11Å; V562-T566 PolarHBondContact O-OG1 2.7Å
567	I	38.6	Very low	37.9	Very low	31 Å²	31	79.5 Å²	79.5	16%	0.159	40%	0.398	C	S	.	.			trans	-125.2	0	168.8	-63.1	170.4	0	0	0	107.1	C372 R432	C372-I567 HydrophobicContact CB-CD1 4.26Å; C372-I567 WeakPolarHBondContact O-CG2 3.49Å; R432-I567 PolarHBondContact NH1-OXT 2.92Å; R432-I567 PolarHBondContact NH2-OXT 3.42Å

Retrieved 567 of 567 residues in 193.7 ms (Link to these results)

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