A0A077ZL02_TRITR Loading...

MobA MobL domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZL02, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 719 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.7	Low	86.1	Confident	162 Å²	162	62.1 Å²	62.1	80%	0.798	31%	0.311	S	S	*	.				0	121.3	0	-78.8	-137.8	-75.1	0	0	108.3	I3 E95 E183	M1-I3 PolarHBondContact O-N 2.74Å; M1-E95 WeakPolarHBondContact CA-OE1 3.4Å; M1-E95 PolarHBondContact N-OE1 2.79Å; M1-E183 WeakPolarHBondContact CA-OE2 3.38Å; M1-E183 WeakPolarHBondContact CG-OE1 3.46Å
2	A	60	Low	86.9	Confident	18 Å²	18	58 Å²	58	15%	0.149	29%	0.292	C	S	.	.			trans	-59.8	126.8	179.9	0	0	0	0	0	109.6	P93 E95 L176 E183 I185	A2-P93 HydrophobicContact CB-CB 3.98Å; A2-P93 HydrophobicContact CB-CG 4.38Å; A2-E95 PolarHBondContact N-OE1 2.82Å; A2-E95 VanDerWaalsContact N-OE1 3.08Å; A2-L176 HydrophobicContact CB-CD1 3.97Å; A2-E183 PolarHBondContact N-OE2 3.42Å; A2-I185 HydrophobicContact CB-CG2 3.42Å; A2-I185 VanDerWaalsContact CB-CG2 3.42Å
3	I	78.7	Confident	87.3	Confident	128 Å²	128	56.2 Å²	56.2	66%	0.656	28%	0.28	S	S	*	.			trans	-106.5	129.5	178.9	-62	170.4	0	0	0	108.1	M1 H5	M1-I3 PolarHBondContact O-N 2.74Å; I3-H5 PolarHBondContact O-N 3.11Å
4	Y	90	Very high	87.3	Confident	47 Å²	47	58 Å²	58	18%	0.184	30%	0.301	C	S	.	.			trans	-73.9	123.1	169.9	-174.9	-92.1	0	0	0	110.9	L6 R165 W168 A169 I185 D186 H187	Y4-L6 HydrophobicContact CE1-CB 4.32Å; Y4-R165 WeakPolarHBondContact OH-CA 3.28Å; Y4-R165 WeakPolarHBondContact OH-CB 3.3Å; Y4-R165 WeakPolarHBondContact OH-CG 3.33Å; Y4-R165 PolarHBondContact OH-O 3.37Å; Y4-W168 AromaticContact CE2-CD1 3.74Å; Y4-A169 HydrophobicContact CD2-CB 4.37Å; Y4-A169 HydrophobicContact CE2-CB 4.07Å; Y4-I185 HydrophobicContact CD2-CB 4.36Å; Y4-I185 HydrophobicContact CD2-CD1 3.79Å; Y4-I185 HydrophobicContact CD2-CG1 4.09Å; Y4-D186 WeakPolarHBondContact CB-O 3.4Å; Y4-H187 HydrophobicContact CD1-CB 4.46Å; Y4-H187 HydrophobicContact CD2-CB 4.24Å; Y4-H187 HydrophobicContact CE1-CB 3.81Å; Y4-H187 HydrophobicContact CE2-CB 3.55Å; Y4-H187 WeakPolarHBondContact OH-CB 3.23Å
5	H	93	Very high	87.2	Confident	80 Å²	80	59.2 Å²	59.2	37%	0.37	32%	0.316	S	S	.	.			trans	-143.6	128.5	162.6	-176.5	78.1	0	0	0	110	I3 S7 L90 A91	I3-H5 PolarHBondContact O-N 3.11Å; H5-S7 PolarHBondContact NE2-OG 3.24Å; H5-L90 VanDerWaalsContact O-CA 3.24Å; H5-L90 WeakPolarHBondContact O-CA 3.48Å; H5-A91 HydrophobicContact CB-CB 3.66Å; H5-A91 PolarHBondContact O-N 2.9Å
6	L	96.1	Very high	87.1	Confident	9 Å²	9	59.9 Å²	59.9	5%	0.047	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	116	164.8	-169.4	156.9	0	0	0	109.1	Y4 M8 I88 E89 L90 F108 R165 W168	Y4-L6 HydrophobicContact CE1-CB 4.32Å; L6-M8 HydrophobicContact CD2-CE 3.24Å; L6-M8 HydrophobicContact CD2-CG 3.91Å; L6-M8 HydrophobicContact CD2-SD 4.44Å; L6-I88 HydrophobicContact CD1-CG2 4.22Å; L6-I88 HydrophobicContact CD2-CG2 3.83Å; L6-I88 HydrophobicContact CG-CG2 3.87Å; L6-E89 CarbonylContact C-O 3.56Å; L6-E89 WeakPolarHBondContact CA-O 3.15Å; L6-L90 HydrophobicContact CB-CB 4.43Å; L6-L90 HydrophobicContact CD1-CB 4.43Å; L6-L90 HydrophobicContact CG-CB 4.26Å; L6-F108 HydrophobicContact CD1-CZ 4.06Å; L6-R165 HydrophobicContact CB-CG 4.48Å; L6-R165 HydrophobicContact CD2-CG 4Å; L6-W168 HydrophobicContact CD1-CB 3.53Å; L6-W168 HydrophobicContact CD1-CG 3.8Å
7	S	94.3	Very high	87.3	Confident	37 Å²	37	64.2 Å²	64.2	26%	0.259	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	154.6	176	71.6	0	0	0	0	111.2	H5 I88 E89	H5-S7 PolarHBondContact NE2-OG 3.24Å; S7-I88 WeakPolarHBondContact O-CA 3.21Å; S7-E89 PolarHBondContact N-O 2.94Å; S7-E89 PolarHBondContact O-N 2.81Å
8	M	94.4	Very high	87.7	Confident	51 Å²	51	61.2 Å²	61.2	25%	0.251	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	136.8	-178.3	-53.8	162.9	-145.8	0	0	109.2	L6 E87 I88 A161 W164 R165	L6-M8 HydrophobicContact CD2-CE 3.24Å; L6-M8 HydrophobicContact CD2-CG 3.91Å; L6-M8 HydrophobicContact CD2-SD 4.44Å; M8-E87 CarbonylContact C-O 3.57Å; M8-E87 VanDerWaalsContact CA-O 3.25Å; M8-E87 WeakPolarHBondContact CA-O 3.36Å; M8-I88 HydrophobicContact CG-CG1 4.12Å; M8-A161 HydrophobicContact CE-CB 3.84Å; M8-A161 WeakPolarHBondContact CE-O 3.09Å; M8-A161 HydrophobicContact SD-CB 3.86Å; M8-W164 HydrophobicContact CE-CB 4.4Å; M8-W164 HydrophobicContact CE-CE3 4.16Å; M8-W164 HydrophobicContact SD-CE3 3.62Å; M8-W164 HydrophobicContact SD-CZ3 3.97Å; M8-R165 HydrophobicContact CE-CG 3.9Å
9	K	94.1	Very high	88.2	Confident	91 Å²	91	58 Å²	58	40%	0.396	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	158.4	177.4	61	-160.1	177.5	-151.3	0	111.2	E87 E89	K9-E87 WeakPolarHBondContact CE-OE2 3.46Å; K9-E87 HydrophobicContact CG-CB 4.01Å; K9-E87 PolarHBondContact N-O 3.31Å; K9-E87 IonicContact NZ-OE1 2.88Å; K9-E87 PolarHBondContact NZ-OE1 3.4Å; K9-E87 IonicContact NZ-OE2 3.65Å; K9-E87 PolarHBondContact O-N 3.27Å; K9-E89 IonicContact NZ-OE2 2.88Å; K9-E89 PolarHBondContact NZ-OE2 3.31Å
10	I	95.3	Very high	88.7	Confident	55 Å²	55	55.1 Å²	55.1	28%	0.282	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.3	176	-62.9	-62	0	0	0	108.9	S12 Q83 R86	I10-S12 PolarHBondContact O-N 3.38Å; I10-Q83 HydrophobicContact CG2-CB 3.67Å; I10-Q83 HydrophobicContact CG2-CG 3.63Å; I10-R86 HydrophobicContact CD1-CB 4.02Å; I10-R86 HydrophobicContact CD1-CG 4.48Å
11	I	95.1	Very high	89.1	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	105.3	170.1	-61.7	173.3	0	0	0	106.5	Y17 L84 A85 E87 M137	I11-Y17 HydrophobicContact CG2-CG 4.45Å; I11-L84 HydrophobicContact CG2-CD1 4.42Å; I11-L84 WeakPolarHBondContact O-CB 3.01Å; I11-L84 PolarHBondContact O-N 2.87Å; I11-A85 HydrophobicContact CB-CB 4.26Å; I11-A85 HydrophobicContact CD1-CB 4.23Å; I11-A85 PolarHBondContact N-O 3.09Å; I11-A85 PolarHBondContact O-N 3.39Å; I11-E87 HydrophobicContact CD1-CB 4.16Å; I11-E87 HydrophobicContact CG1-CB 4.39Å; I11-M137 HydrophobicContact CD1-CE 3.55Å; I11-M137 HydrophobicContact CD1-CG 4.09Å; I11-M137 HydrophobicContact CD1-SD 3.81Å
12	S	94.9	Very high	91	Very high	13 Å²	13	45.8 Å²	45.8	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.9	-175.8	98.6	0	0	0	0	112.1	I10 S14 S15 Y17 S82	I10-S12 PolarHBondContact O-N 3.38Å; S12-S14 VanDerWaalsContact C-N 3.33Å; S12-S14 PolarHBondContact O-N 3.22Å; S12-S14 PolarHBondContact OG-OG 3.16Å; S12-S14 VanDerWaalsContact OG-OG 3.08Å; S12-S15 PolarHBondContact O-N 3.13Å; S12-S15 WeakPolarHBondContact OG-CB 3.44Å; S12-S15 PolarHBondContact OG-N 2.79Å; S12-S15 PolarHBondContact OG-OG 3.01Å; S12-Y17 PolarHBondContact O-N 3Å; S12-S82 WeakPolarHBondContact CA-O 3.48Å
13	R	92	Very high	92.9	Very high	35 Å²	35	45 Å²	45	13%	0.132	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-66.3	-35	177.5	-171.8	177.8	-65.9	144	-8.5	112.5	S15 G16 E74 E77 R79 K80 S82 L84	R13-S15 PolarHBondContact O-N 3.12Å; R13-G16 PolarHBondContact O-N 3.43Å; R13-E74 IonicContact CZ-OE2 2.64Å; R13-E74 IonicContact NE-OE2 3.15Å; R13-E74 PolarHBondContact NH2-O 3.03Å; R13-E74 IonicContact NH2-OE2 3.09Å; R13-E74 PolarHBondContact NH2-OE2 3.34Å; R13-E77 PolarHBondContact NH1-O 2.88Å; R13-E77 PolarHBondContact NH2-O 2.97Å; R13-R79 PolarHBondContact NH1-O 3.4Å; R13-K80 WeakPolarHBondContact CB-O 3.4Å; R13-K80 WeakPolarHBondContact CG-O 3.34Å; R13-S82 PolarHBondContact N-O 3.17Å; R13-L84 HydrophobicContact CB-CD1 4.23Å
14	S	88	Confident	93.8	Very high	81 Å²	81	38.9 Å²	38.9	57%	0.566	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-64.6	-24	176.8	37.6	0	0	0	0	113.6	S12 G16 K80	S12-S14 VanDerWaalsContact C-N 3.33Å; S12-S14 PolarHBondContact O-N 3.22Å; S12-S14 PolarHBondContact OG-OG 3.16Å; S12-S14 VanDerWaalsContact OG-OG 3.08Å; S14-G16 PolarHBondContact O-N 3.27Å; S14-K80 PolarHBondContact N-O 3.04Å
15	S	86	Confident	94.1	Very high	76 Å²	76	40.6 Å²	40.6	53%	0.531	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-85.3	7.5	173.8	-55.3	0	0	0	0	112.7	S12 R13 Y17	S12-S15 PolarHBondContact O-N 3.13Å; S12-S15 WeakPolarHBondContact OG-CB 3.44Å; S12-S15 PolarHBondContact OG-N 2.79Å; S12-S15 PolarHBondContact OG-OG 3.01Å; R13-S15 PolarHBondContact O-N 3.12Å; S15-Y17 VanDerWaalsContact C-N 3.32Å
16	G	85.8	Confident	94.3	Very high	70 Å²	70	38.2 Å²	38.2	72%	0.722	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	6.5	-178.5	0	0	0	0	0	114.7	R13 S14	R13-G16 PolarHBondContact O-N 3.43Å; S14-G16 PolarHBondContact O-N 3.27Å
17	Y	90.7	Very high	94.3	Very high	133 Å²	133	38.3 Å²	38.3	52%	0.522	22%	0.217	S	C	.	.			trans	-84.5	147.5	179.4	-62.2	-62.9	0	0	0	112.6	I11 S12 S15	I11-Y17 HydrophobicContact CG2-CG 4.45Å; S12-Y17 PolarHBondContact O-N 3Å; S15-Y17 VanDerWaalsContact C-N 3.32Å
18	S	94.5	Very high	94.4	Very high	11 Å²	11	37.4 Å²	37.4	8%	0.077	21%	0.214	C	C	.	.			trans	-110.5	139.9	165.1	157.6	0	0	0	0	109	V20 A21 S22 D33 E74	S18-V20 VanDerWaalsContact C-N 3.31Å; S18-V20 PolarHBondContact OG-N 3.01Å; S18-V20 VanDerWaalsContact OG-N 3.16Å; S18-A21 PolarHBondContact OG-N 3.48Å; S18-A21 VanDerWaalsContact OG-N 3.11Å; S18-S22 WeakPolarHBondContact O-CB 3.49Å; S18-S22 PolarHBondContact O-N 3.46Å; S18-S22 PolarHBondContact O-OG 3.25Å; S18-D33 WeakPolarHBondContact CB-OD2 3.5Å; S18-D33 PolarHBondContact OG-OD2 3Å; S18-E74 WeakPolarHBondContact CA-OE1 3.35Å
19	A	97	Very high	94.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.9	-37.2	173.8	0	0	0	0	0	111.1	S22 A23 W70 V73 E74 L84	A19-S22 PolarHBondContact O-N 2.87Å; A19-A23 WeakPolarHBondContact O-CB 3.42Å; A19-A23 PolarHBondContact O-N 3.22Å; A19-W70 HydrophobicContact CB-CE3 3.9Å; A19-V73 HydrophobicContact CB-CG1 4.42Å; A19-E74 HydrophobicContact CB-CG 4.33Å; A19-E74 PolarHBondContact N-OE1 3.4Å; A19-L84 HydrophobicContact CB-CB 4.01Å; A19-L84 HydrophobicContact CB-CD1 4.35Å
20	V	97.9	Very high	94.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.7	-51	176.9	176.8	0	0	0	0	110.4	S18 S22 A23 A24 M31 D33 W70 N71 E74	S18-V20 VanDerWaalsContact C-N 3.31Å; S18-V20 PolarHBondContact OG-N 3.01Å; S18-V20 VanDerWaalsContact OG-N 3.16Å; V20-S22 PolarHBondContact O-N 3.16Å; V20-A23 PolarHBondContact O-N 2.85Å; V20-A24 WeakPolarHBondContact O-CB 3.41Å; V20-A24 PolarHBondContact O-N 3.19Å; V20-M31 HydrophobicContact CB-CE 4.39Å; V20-M31 HydrophobicContact CG1-CB 3.76Å; V20-M31 HydrophobicContact CG1-CE 3.75Å; V20-D33 HydrophobicContact CB-CB 4.01Å; V20-D33 HydrophobicContact CG1-CB 3.92Å; V20-D33 HydrophobicContact CG2-CB 4.43Å; V20-W70 HydrophobicContact CG2-CB 4.09Å; V20-N71 WeakPolarHBondContact CG2-OD1 3.45Å; V20-E74 HydrophobicContact CG2-CG 4.02Å
21	A	96.7	Very high	94.8	Very high	15 Å²	15	34.4 Å²	34.4	12%	0.124	21%	0.205	C	C	.	.	H	α-helix	trans	-57.9	-40.2	175.8	0	0	0	0	0	111.6	S18 Y25	S18-A21 PolarHBondContact OG-N 3.48Å; S18-A21 VanDerWaalsContact OG-N 3.11Å; A21-Y25 VanDerWaalsContact O-CB 3.28Å; A21-Y25 WeakPolarHBondContact O-CB 3.47Å; A21-Y25 PolarHBondContact O-N 3.34Å
22	S	97.5	Very high	94.9	Very high	7 Å²	7	38.2 Å²	38.2	5%	0.049	23%	0.225	C	C	.	.	H	α-helix	trans	-66.7	-46.2	-179.9	-67.3	0	0	0	0	112.4	S18 A19 V20 Y25 R26	S18-S22 WeakPolarHBondContact O-CB 3.49Å; S18-S22 PolarHBondContact O-N 3.46Å; S18-S22 PolarHBondContact O-OG 3.25Å; A19-S22 PolarHBondContact O-N 2.87Å; V20-S22 PolarHBondContact O-N 3.16Å; S22-Y25 PolarHBondContact O-N 3.05Å; S22-R26 WeakPolarHBondContact O-CD 3.36Å; S22-R26 PolarHBondContact O-N 3.23Å; S22-R26 VanDerWaalsContact O-N 3.13Å; S22-R26 PolarHBondContact O-NH1 2.81Å
23	A	98.2	Very high	95	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-50	177.2	0	0	0	0	0	110.8	A19 V20 Y25 R26 S27 M31 R66 W70 M137	A19-A23 WeakPolarHBondContact O-CB 3.42Å; A19-A23 PolarHBondContact O-N 3.22Å; V20-A23 PolarHBondContact O-N 2.85Å; A23-Y25 VanDerWaalsContact C-N 3.29Å; A23-Y25 PolarHBondContact O-N 2.9Å; A23-R26 PolarHBondContact O-N 2.93Å; A23-R26 VanDerWaalsContact O-N 3.1Å; A23-S27 PolarHBondContact O-N 3.33Å; A23-S27 PolarHBondContact O-OG 2.89Å; A23-M31 HydrophobicContact CB-CE 4.14Å; A23-M31 HydrophobicContact CB-SD 4.23Å; A23-R66 HydrophobicContact CB-CG 4.2Å; A23-W70 HydrophobicContact CB-CB 4.41Å; A23-W70 HydrophobicContact CB-CD2 4.21Å; A23-W70 HydrophobicContact CB-CG 3.68Å; A23-W70 VanDerWaalsContact CB-NE1 3.32Å; A23-M137 HydrophobicContact CB-CE 4.45Å; A23-M137 HydrophobicContact CB-SD 4.33Å
24	A	97.6	Very high	95.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.6	-43.7	177.9	0	0	0	0	0	112.1	V20 R26 G28 S29 M31 H40 Y42	V20-A24 WeakPolarHBondContact O-CB 3.41Å; V20-A24 PolarHBondContact O-N 3.19Å; A24-R26 PolarHBondContact O-N 2.84Å; A24-G28 PolarHBondContact O-N 3.3Å; A24-S29 PolarHBondContact O-N 3.46Å; A24-M31 HydrophobicContact CB-CB 4.05Å; A24-M31 HydrophobicContact CB-CG 4.06Å; A24-M31 HydrophobicContact CB-SD 3.76Å; A24-H40 HydrophobicContact CB-CB 4.07Å; A24-Y42 HydrophobicContact CB-CD2 3.82Å; A24-Y42 HydrophobicContact CB-CE2 4.31Å
25	Y	96.8	Very high	95.6	Very high	83 Å²	83	44.1 Å²	44.1	33%	0.325	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-41.1	178.1	-179.1	-98.9	0	0	0	112.8	A21 S22 A23 Y42 K45	A21-Y25 VanDerWaalsContact O-CB 3.28Å; A21-Y25 WeakPolarHBondContact O-CB 3.47Å; A21-Y25 PolarHBondContact O-N 3.34Å; S22-Y25 PolarHBondContact O-N 3.05Å; A23-Y25 VanDerWaalsContact C-N 3.29Å; A23-Y25 PolarHBondContact O-N 2.9Å; Y25-Y42 VanDerWaalsContact CA-CD2 3.42Å; Y25-Y42 AromaticContact CD2-CD1 3.72Å; Y25-Y42 HydrophobicContact CD2-CD1 3.72Å; Y25-Y42 HydrophobicContact CD2-CD2 4.47Å; Y25-Y42 AromaticContact CD2-CE1 3.55Å; Y25-Y42 HydrophobicContact CD2-CE1 3.55Å; Y25-Y42 HydrophobicContact CD2-CE2 4.28Å; Y25-Y42 HydrophobicContact CD2-CG 4.18Å; Y25-Y42 AromaticContact CD2-CZ 3.82Å; Y25-Y42 HydrophobicContact CE2-CD1 4.43Å; Y25-Y42 HydrophobicContact CE2-CE1 4.26Å; Y25-Y42 VanDerWaalsContact N-CD2 3.31Å; Y25-K45 HydrophobicContact CD2-CD 4.38Å; Y25-K45 HydrophobicContact CE2-CD 4.27Å; Y25-K45 WeakPolarHBondContact O-CD 3.35Å; Y25-K45 WeakPolarHBondContact O-CE 3.48Å; Y25-K45 PolarHBondContact OH-NZ 3.38Å
26	R	97.2	Very high	95.9	Very high	29 Å²	29	43.2 Å²	43.2	11%	0.109	23%	0.23	C	C	.	.	H	α-helix	trans	-77.8	-38.9	-176.9	-74.3	158.1	-172	76.3	-6.2	111.5	S22 A23 A24 G28 E87 A123 H125 H135	S22-R26 WeakPolarHBondContact O-CD 3.36Å; S22-R26 PolarHBondContact O-N 3.23Å; S22-R26 VanDerWaalsContact O-N 3.13Å; S22-R26 PolarHBondContact O-NH1 2.81Å; A23-R26 PolarHBondContact O-N 2.93Å; A23-R26 VanDerWaalsContact O-N 3.1Å; A24-R26 PolarHBondContact O-N 2.84Å; R26-G28 VanDerWaalsContact C-N 3.34Å; R26-E87 IonicContact CZ-OE1 3.77Å; R26-E87 IonicContact CZ-OE2 3.84Å; R26-E87 IonicContact NE-OE1 3.94Å; R26-E87 PolarHBondContact NE-OE1 2.97Å; R26-E87 IonicContact NE-OE2 2.8Å; R26-E87 PolarHBondContact NE-OE2 2.88Å; R26-E87 VanDerWaalsContact NH2-CD 3.26Å; R26-E87 IonicContact NH2-OE1 2.97Å; R26-E87 PolarHBondContact NH2-OE1 2.91Å; R26-E87 IonicContact NH2-OE2 3.71Å; R26-E87 PolarHBondContact NH2-OE2 3.07Å; R26-A123 HydrophobicContact CB-CB 4.07Å; R26-A123 VanDerWaalsContact O-CB 3.22Å; R26-A123 WeakPolarHBondContact O-CB 3.3Å; R26-H125 PolarHBondContact O-CE1 3.49Å; R26-H125 PolarHBondContact O-NE2 3.25Å; R26-H135 HydrophobicContact CB-CB 4.31Å; R26-H135 HydrophobicContact CG-CB 3.9Å
27	S	97.3	Very high	96.3	Very high	11 Å²	11	42.4 Å²	42.4	8%	0.077	22%	0.222	C	C	.	.	H	α-helix	trans	-86.4	-2.5	-179.4	67.8	0	0	0	0	114.3	A23 S29 R66	A23-S27 PolarHBondContact O-N 3.33Å; A23-S27 PolarHBondContact O-OG 2.89Å; S27-S29 VanDerWaalsContact C-N 3.3Å; S27-S29 WeakPolarHBondContact CB-OG 3.42Å; S27-S29 PolarHBondContact O-N 3.19Å; S27-S29 PolarHBondContact O-OG 2.93Å; S27-S29 VanDerWaalsContact OG-CB 3.31Å; S27-S29 WeakPolarHBondContact OG-CB 3.42Å; S27-S29 PolarHBondContact OG-OG 2.95Å; S27-R66 VanDerWaalsContact OG-CD 3.26Å; S27-R66 WeakPolarHBondContact OG-CD 3.24Å; S27-R66 PolarHBondContact OG-NH1 3.3Å
28	G	96.3	Very high	96.5	Very high	19 Å²	19	41 Å²	41	20%	0.196	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	39.6	-176.7	0	0	0	0	0	112.2	A24 R26 Y42 T43	A24-G28 PolarHBondContact O-N 3.3Å; R26-G28 VanDerWaalsContact C-N 3.34Å; G28-Y42 CarbonylContact C-O 3.52Å; G28-Y42 WeakPolarHBondContact CA-O 3.36Å; G28-T43 WeakPolarHBondContact O-CA 3.33Å
29	S	96.6	Very high	96.6	Very high	27 Å²	27	44.6 Å²	44.6	19%	0.189	24%	0.244	C	C	.	.			trans	-113.2	166.6	-172.7	-52.3	0	0	0	0	112.2	A24 S27 Y42	A24-S29 PolarHBondContact O-N 3.46Å; S27-S29 VanDerWaalsContact C-N 3.3Å; S27-S29 WeakPolarHBondContact CB-OG 3.42Å; S27-S29 PolarHBondContact O-N 3.19Å; S27-S29 PolarHBondContact O-OG 2.93Å; S27-S29 VanDerWaalsContact OG-CB 3.31Å; S27-S29 WeakPolarHBondContact OG-CB 3.42Å; S27-S29 PolarHBondContact OG-OG 2.95Å; S29-Y42 PolarHBondContact O-N 2.96Å
30	L	97.3	Very high	96.5	Very high	100 Å²	100	46.2 Å²	46.2	52%	0.524	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.5	168.9	-177.5	156	0	0	0	109.2	T39 H40 D41 T43	L30-T39 HydrophobicContact CD2-CG2 3.99Å; L30-T39 HydrophobicContact CG-CG2 4.07Å; L30-H40 WeakPolarHBondContact CA-O 3.34Å; L30-D41 HydrophobicContact CD1-CB 4.03Å; L30-D41 HydrophobicContact CG-CB 4.17Å; L30-T43 HydrophobicContact CB-CG2 3.92Å
31	M	97.4	Very high	96.4	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.03	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	137.5	179.8	-65.5	170.9	57.5	0	0	111.5	V20 A23 A24 H40 R66 A67 W70	V20-M31 HydrophobicContact CB-CE 4.39Å; V20-M31 HydrophobicContact CG1-CB 3.76Å; V20-M31 HydrophobicContact CG1-CE 3.75Å; A23-M31 HydrophobicContact CB-CE 4.14Å; A23-M31 HydrophobicContact CB-SD 4.23Å; A24-M31 HydrophobicContact CB-CB 4.05Å; A24-M31 HydrophobicContact CB-CG 4.06Å; A24-M31 HydrophobicContact CB-SD 3.76Å; M31-H40 PolarHBondContact N-O 3.42Å; M31-H40 PolarHBondContact O-N 2.94Å; M31-R66 HydrophobicContact CE-CG 4.07Å; M31-R66 HydrophobicContact SD-CG 3.84Å; M31-A67 HydrophobicContact CE-CB 4.36Å; M31-A67 HydrophobicContact CG-CB 4.4Å; M31-W70 HydrophobicContact CE-CB 4.17Å
32	L	97.8	Very high	96.4	Very high	85 Å²	85	52.4 Å²	52.4	45%	0.445	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	126	169	177.2	65.7	0	0	0	109.6	E34 N71	L32-E34 PolarHBondContact O-N 3.34Å; L32-N71 PolarHBondContact O-ND2 3.27Å; L32-N71 PolarHBondContact O-OD1 3.38Å
33	D	97.3	Very high	96.2	Very high	1 Å²	1	56 Å²	56	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	101.5	167.8	-179.7	-42.8	0	0	0	108.2	S18 V20 R35 T36 G37 L38	S18-D33 WeakPolarHBondContact CB-OD2 3.5Å; S18-D33 PolarHBondContact OG-OD2 3Å; V20-D33 HydrophobicContact CB-CB 4.01Å; V20-D33 HydrophobicContact CG1-CB 3.92Å; V20-D33 HydrophobicContact CG2-CB 4.43Å; D33-R35 PolarHBondContact O-N 2.88Å; D33-R35 VanDerWaalsContact O-N 3.16Å; D33-R35 WeakPolarHBondContact OD1-CA 3.45Å; D33-R35 WeakPolarHBondContact OD1-CB 3.44Å; D33-R35 PolarHBondContact OD1-N 3.38Å; D33-R35 IonicContact OD2-NH2 2.76Å; D33-T36 WeakPolarHBondContact CB-OG1 3.41Å; D33-T36 PolarHBondContact O-N 2.93Å; D33-T36 PolarHBondContact OD1-N 2.81Å; D33-T36 PolarHBondContact OD1-OG1 3.1Å; D33-G37 WeakPolarHBondContact O-CA 3.38Å; D33-G37 PolarHBondContact O-N 3.49Å; D33-L38 PolarHBondContact N-O 3.4Å
34	E	97.7	Very high	95.9	Very high	134 Å²	134	66.2 Å²	66.2	63%	0.626	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-25	-176	-67	176.6	-178.4	0	0	112.9	L32 N71	L32-E34 PolarHBondContact O-N 3.34Å; E34-N71 WeakPolarHBondContact CB-OD1 3.47Å; E34-N71 HydrophobicContact CG-CB 4.37Å; E34-N71 PolarHBondContact N-OD1 3.36Å
35	R	94.4	Very high	95.5	Very high	118 Å²	118	69 Å²	69	45%	0.445	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-35	-179.2	-176.6	-174.1	59.8	63.4	7.9	111.6	D33 E74	D33-R35 PolarHBondContact O-N 2.88Å; D33-R35 VanDerWaalsContact O-N 3.16Å; D33-R35 WeakPolarHBondContact OD1-CA 3.45Å; D33-R35 WeakPolarHBondContact OD1-CB 3.44Å; D33-R35 PolarHBondContact OD1-N 3.38Å; D33-R35 IonicContact OD2-NH2 2.76Å; R35-E74 IonicContact CZ-OE2 3.52Å; R35-E74 IonicContact NE-OE2 2.67Å; R35-E74 PolarHBondContact NE-OE2 3.23Å; R35-E74 IonicContact NH2-OE2 2.75Å
36	T	92.7	Very high	95	Very high	57 Å²	57	69.4 Å²	69.4	35%	0.35	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-16.7	-176.9	60.4	0	0	0	0	113.8	D33 L38	D33-T36 WeakPolarHBondContact CB-OG1 3.41Å; D33-T36 PolarHBondContact O-N 2.93Å; D33-T36 PolarHBondContact OD1-N 2.81Å; D33-T36 PolarHBondContact OD1-OG1 3.1Å; T36-L38 PolarHBondContact O-N 3.36Å; T36-L38 WeakPolarHBondContact OG1-CB 3.47Å; T36-L38 PolarHBondContact OG1-N 2.92Å
37	G	94.1	Very high	94.7	Very high	54 Å²	54	69 Å²	69	56%	0.557	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	4.2	-171	0	0	0	0	0	113.8	D33	D33-G37 WeakPolarHBondContact O-CA 3.38Å; D33-G37 PolarHBondContact O-N 3.49Å
38	L	94.5	Very high	94.6	Very high	103 Å²	103	70.2 Å²	70.2	54%	0.539	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131.8	-179.1	-63.5	175.3	0	0	0	110.9	D33 T36	D33-L38 PolarHBondContact N-O 3.4Å; T36-L38 PolarHBondContact O-N 3.36Å; T36-L38 WeakPolarHBondContact OG1-CB 3.47Å; T36-L38 PolarHBondContact OG1-N 2.92Å
39	T	96.8	Very high	94.5	Very high	86 Å²	86	72.4 Å²	72.4	53%	0.528	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.6	170.5	-57.7	0	0	0	0	109.9	L30	L30-T39 HydrophobicContact CD2-CG2 3.99Å; L30-T39 HydrophobicContact CG-CG2 4.07Å
40	H	94.9	Very high	94.4	Very high	34 Å²	34	74.6 Å²	74.6	16%	0.157	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	100.6	175.8	-61.8	-69.2	0	0	0	109.7	A24 L30 M31 Y42	A24-H40 HydrophobicContact CB-CB 4.07Å; L30-H40 WeakPolarHBondContact CA-O 3.34Å; M31-H40 PolarHBondContact N-O 3.42Å; M31-H40 PolarHBondContact O-N 2.94Å; H40-Y42 HydrophobicContact CB-CD2 4.33Å; H40-Y42 HydrophobicContact CB-CE2 3.94Å
41	D	96.3	Very high	94.4	Very high	66 Å²	66	71.2 Å²	71.2	35%	0.353	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	104.8	177.8	177.5	15.3	0	0	0	111.6	L30 T43	L30-D41 HydrophobicContact CD1-CB 4.03Å; L30-D41 HydrophobicContact CG-CB 4.17Å; D41-T43 WeakPolarHBondContact OD1-CB 3.29Å; D41-T43 VanDerWaalsContact OD1-CG2 3.29Å; D41-T43 WeakPolarHBondContact OD1-CG2 3.43Å; D41-T43 PolarHBondContact OD1-N 3.38Å; D41-T43 PolarHBondContact OD1-OG1 2.88Å
42	Y	96	Very high	94.5	Very high	80 Å²	80	72.6 Å²	72.6	31%	0.314	39%	0.394	S	S	.	.			trans	-114.3	20.8	174.1	-62.8	-71.9	0	0	0	112.9	A24 Y25 G28 S29 H40 R44 K45	A24-Y42 HydrophobicContact CB-CD2 3.82Å; A24-Y42 HydrophobicContact CB-CE2 4.31Å; Y25-Y42 VanDerWaalsContact CA-CD2 3.42Å; Y25-Y42 AromaticContact CD2-CD1 3.72Å; Y25-Y42 HydrophobicContact CD2-CD1 3.72Å; Y25-Y42 HydrophobicContact CD2-CD2 4.47Å; Y25-Y42 AromaticContact CD2-CE1 3.55Å; Y25-Y42 HydrophobicContact CD2-CE1 3.55Å; Y25-Y42 HydrophobicContact CD2-CE2 4.28Å; Y25-Y42 HydrophobicContact CD2-CG 4.18Å; Y25-Y42 AromaticContact CD2-CZ 3.82Å; Y25-Y42 HydrophobicContact CE2-CD1 4.43Å; Y25-Y42 HydrophobicContact CE2-CE1 4.26Å; Y25-Y42 VanDerWaalsContact N-CD2 3.31Å; G28-Y42 CarbonylContact C-O 3.52Å; G28-Y42 WeakPolarHBondContact CA-O 3.36Å; S29-Y42 PolarHBondContact O-N 2.96Å; H40-Y42 HydrophobicContact CB-CD2 4.33Å; H40-Y42 HydrophobicContact CB-CE2 3.94Å; Y42-R44 PolarHBondContact O-N 3.4Å; Y42-R44 VanDerWaalsContact O-N 3.12Å; Y42-K45 WeakPolarHBondContact O-CB 3.45Å; Y42-K45 PolarHBondContact O-N 2.94Å
43	T	93.4	Very high	94.5	Very high	81 Å²	81	69.5 Å²	69.5	50%	0.497	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.4	178.7	55.7	0	0	0	0	113.7	G28 L30 D41 K45	G28-T43 WeakPolarHBondContact O-CA 3.33Å; L30-T43 HydrophobicContact CB-CG2 3.92Å; D41-T43 WeakPolarHBondContact OD1-CB 3.29Å; D41-T43 VanDerWaalsContact OD1-CG2 3.29Å; D41-T43 WeakPolarHBondContact OD1-CG2 3.43Å; D41-T43 PolarHBondContact OD1-N 3.38Å; D41-T43 PolarHBondContact OD1-OG1 2.88Å; T43-K45 VanDerWaalsContact C-N 3.33Å
44	R	91.8	Very high	94.6	Very high	217 Å²	217	70.6 Å²	70.6	82%	0.819	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	0.5	176	-65.5	-179.8	-73.8	143.7	-2.9	113.9	Y42 S46	Y42-R44 PolarHBondContact O-N 3.4Å; Y42-R44 VanDerWaalsContact O-N 3.12Å; R44-S46 PolarHBondContact O-N 2.98Å
45	K	88.7	Confident	94.6	Very high	57 Å²	57	66.3 Å²	66.3	25%	0.248	37%	0.367	C	S	.	.			trans	-69.8	120.9	-179.5	-178.3	176.6	165.5	59.1	0	109.6	Y25 Y42 T43 V48	Y25-K45 HydrophobicContact CD2-CD 4.38Å; Y25-K45 HydrophobicContact CE2-CD 4.27Å; Y25-K45 WeakPolarHBondContact O-CD 3.35Å; Y25-K45 WeakPolarHBondContact O-CE 3.48Å; Y25-K45 PolarHBondContact OH-NZ 3.38Å; Y42-K45 WeakPolarHBondContact O-CB 3.45Å; Y42-K45 PolarHBondContact O-N 2.94Å; T43-K45 VanDerWaalsContact C-N 3.33Å; K45-V48 HydrophobicContact CD-CG2 4.13Å; K45-V48 HydrophobicContact CG-CG2 4.28Å
46	S	87.4	Confident	94.6	Very high	92 Å²	92	61.3 Å²	61.3	64%	0.643	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	152.6	175.8	60.2	0	0	0	0	112	R44	R44-S46 PolarHBondContact O-N 2.98Å
47	G	90.4	Very high	94.5	Very high	20 Å²	20	63.9 Å²	63.9	21%	0.206	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	-5	170.3	0	0	0	0	0	116.3	A49 H125 H126	G47-A49 PolarHBondContact O-N 2.89Å; G47-H125 CarbonylContact O-C 3.6Å; G47-H125 WeakPolarHBondContact O-CA 3.38Å; G47-H126 VanDerWaalsContact CA-CE1 3.49Å; G47-H126 WeakPolarHBondContact CA-CE1 3.24Å; G47-H126 WeakPolarHBondContact CA-ND1 3.26Å; G47-H126 PolarHBondContact O-N 3.44Å
48	V	94	Very high	94.2	Very high	38 Å²	38	66.2 Å²	66.2	23%	0.23	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	114.8	169.6	-173.1	0	0	0	0	107.9	K45	K45-V48 HydrophobicContact CD-CG2 4.13Å; K45-V48 HydrophobicContact CG-CG2 4.28Å
49	A	94	Very high	94.2	Very high	64 Å²	64	62.2 Å²	62.2	53%	0.529	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-47.4	179.3	0	0	0	0	0	111.1	G47 F124 M127	G47-A49 PolarHBondContact O-N 2.89Å; A49-F124 HydrophobicContact CB-CB 4.42Å; A49-F124 PolarHBondContact N-O 3.35Å; A49-M127 HydrophobicContact CB-CB 4.06Å; A49-M127 HydrophobicContact CB-CG 3.64Å
50	E	95.8	Very high	94.2	Very high	74 Å²	74	59.1 Å²	59.1	35%	0.346	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	154.4	-179.8	-169.2	-172.8	169.1	0	0	109.3	R102 A123 F124	E50-R102 IonicContact OE1-CZ 3.28Å; E50-R102 IonicContact OE1-NE 3.87Å; E50-R102 PolarHBondContact OE1-NE 3.19Å; E50-R102 IonicContact OE1-NH2 3.72Å; E50-R102 PolarHBondContact OE1-NH2 2.89Å; E50-R102 WeakPolarHBondContact OE2-CD 3.3Å; E50-R102 IonicContact OE2-CZ 2.68Å; E50-R102 IonicContact OE2-NE 2.7Å; E50-R102 PolarHBondContact OE2-NE 3.07Å; E50-R102 IonicContact OE2-NH2 3.65Å; E50-A123 WeakPolarHBondContact O-CA 3.06Å; E50-F124 HydrophobicContact CB-CD2 4.29Å; E50-F124 PolarHBondContact O-N 3.45Å
51	A	97.7	Very high	94.2	Very high	29 Å²	29	61.7 Å²	61.7	24%	0.24	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	127.9	166.1	0	0	0	0	0	112	R66 V122 A123	A51-R66 PolarHBondContact O-NH2 3.01Å; A51-V122 CarbonylContact C-O 3.53Å; A51-V122 WeakPolarHBondContact CA-O 3.26Å; A51-A123 HydrophobicContact CB-CB 4.01Å
52	V	98.2	Very high	94.2	Very high	34 Å²	34	62.3 Å²	62.3	21%	0.206	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.9	-173.1	62.4	0	0	0	0	111.2	L106 V122 F124	V52-L106 HydrophobicContact CG1-CD2 3.78Å; V52-V122 HydrophobicContact CG1-CB 4.19Å; V52-V122 PolarHBondContact N-O 3.45Å; V52-V122 PolarHBondContact O-N 2.91Å; V52-F124 HydrophobicContact CG1-CE2 4.18Å
53	I	98.6	Very high	94.3	Very high	21 Å²	21	58.5 Å²	58.5	11%	0.108	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.5	174.2	-63.6	172	0	0	0	109.3	T55 R66 L69 I119 A120 D121	I53-T55 HydrophobicContact CG2-CG2 3.9Å; I53-R66 HydrophobicContact CD1-CB 3.73Å; I53-R66 HydrophobicContact CD1-CG 4.24Å; I53-L69 HydrophobicContact CD1-CD2 4.03Å; I53-L69 HydrophobicContact CG2-CD2 4.18Å; I53-I119 HydrophobicContact CG2-CG2 3.7Å; I53-A120 CarbonylContact C-O 3.54Å; I53-A120 WeakPolarHBondContact CA-O 3.29Å; I53-D121 HydrophobicContact CG1-CB 3.95Å; I53-D121 WeakPolarHBondContact CG1-OD1 3.36Å
54	L	98.4	Very high	94.4	Very high	24 Å²	24	58.9 Å²	58.9	13%	0.126	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.2	171.9	-61.2	176	0	0	0	109.6	L106 V109 R110 V114 A120	L54-L106 HydrophobicContact CD1-CD2 3.88Å; L54-L106 HydrophobicContact CG-CD2 4.48Å; L54-V109 HydrophobicContact CD1-CB 4.12Å; L54-V109 HydrophobicContact CD1-CG1 3.6Å; L54-R110 HydrophobicContact CD1-CG 4.04Å; L54-V114 HydrophobicContact CB-CG2 3.72Å; L54-V114 HydrophobicContact CD1-CG2 4.47Å; L54-A120 PolarHBondContact N-O 3.08Å; L54-A120 PolarHBondContact O-N 3.23Å
55	T	97.6	Very high	94.7	Very high	44 Å²	44	51.6 Å²	51.6	27%	0.27	33%	0.333	S	S	.	.			trans	-121.5	148.6	-176.5	57.5	0	0	0	0	110.9	I53 A59 C63 T64 V114 I119	I53-T55 HydrophobicContact CG2-CG2 3.9Å; T55-A59 HydrophobicContact CG2-CB 4.42Å; T55-C63 HydrophobicContact CG2-CB 3.99Å; T55-T64 HydrophobicContact CG2-CG2 4.1Å; T55-V114 WeakPolarHBondContact O-CG1 3.33Å; T55-I119 HydrophobicContact CG2-CG1 4.32Å; T55-I119 HydrophobicContact CG2-CG2 4.07Å
56	P	94.9	Very high	95.2	Very high	12 Å²	12	50.9 Å²	50.9	8%	0.078	33%	0.329	C	S	.	.			trans	-59.9	148.5	165.5	-21	32.2	0	0	0	110.3	T58 A59 V114 V143	P56-T58 PolarHBondContact O-N 3.03Å; P56-A59 WeakPolarHBondContact O-CB 3.46Å; P56-A59 PolarHBondContact O-N 3.39Å; P56-V114 HydrophobicContact CG-CG1 4.4Å; P56-V143 HydrophobicContact CG-CG1 4.47Å
57	A	90.7	Very high	95.7	Very high	112 Å²	112	48.2 Å²	48.2	93%	0.926	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.2	-177.5	0	0	0	0	0	114.3
58	T	88.9	Confident	96	Very high	103 Å²	103	51.7 Å²	51.7	63%	0.632	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-2	178.6	56.9	0	0	0	0	113.9	P56	P56-T58 PolarHBondContact O-N 3.03Å
59	A	94.5	Very high	96.2	Very high	18 Å²	18	49.9 Å²	49.9	15%	0.149	31%	0.312	C	S	.	.	S	Bend	trans	-72.4	140.1	-178.9	0	0	0	0	0	110.9	T55 P56 C63 V143	T55-A59 HydrophobicContact CG2-CB 4.42Å; P56-A59 WeakPolarHBondContact O-CB 3.46Å; P56-A59 PolarHBondContact O-N 3.39Å; A59-C63 HydrophobicContact CB-CB 4.29Å; A59-V143 HydrophobicContact CB-CG1 3.99Å
60	P	95.8	Very high	96.5	Very high	22 Å²	22	46.9 Å²	46.9	14%	0.143	29%	0.287	C	S	.	.			trans	-58.1	150.2	172	-26	35.4	0	0	0	113	W62 C63 G144	P60-W62 VanDerWaalsContact CB-CD1 3.42Å; P60-W62 HydrophobicContact CB-CD2 4.48Å; P60-W62 HydrophobicContact CB-CG 4.2Å; P60-W62 HydrophobicContact CG-CZ2 4.45Å; P60-W62 PolarHBondContact O-N 3.38Å; P60-W62 VanDerWaalsContact O-N 3.15Å; P60-C63 VanDerWaalsContact O-CB 3.24Å; P60-C63 WeakPolarHBondContact O-CB 3.44Å; P60-C63 PolarHBondContact O-N 2.99Å; P60-G144 WeakPolarHBondContact CD-O 3.49Å; P60-G144 WeakPolarHBondContact CG-O 3.44Å
61	A	95.1	Very high	96.6	Very high	87 Å²	87	43.8 Å²	43.8	72%	0.719	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-56.9	-33.7	-177.8	0	0	0	0	0	113.8	C63 T64	A61-C63 PolarHBondContact O-N 2.96Å; A61-C63 VanDerWaalsContact O-N 3.14Å; A61-T64 PolarHBondContact O-N 2.79Å; A61-T64 PolarHBondContact O-OG1 3.31Å
62	W	96.6	Very high	96.6	Very high	80 Å²	80	43.7 Å²	43.7	30%	0.303	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-62.1	-21.7	178	62.9	-103.2	0	0	0	113.4	P60 T64 N65 E68 L69 A72 F148	P60-W62 VanDerWaalsContact CB-CD1 3.42Å; P60-W62 HydrophobicContact CB-CD2 4.48Å; P60-W62 HydrophobicContact CB-CG 4.2Å; P60-W62 HydrophobicContact CG-CZ2 4.45Å; P60-W62 PolarHBondContact O-N 3.38Å; P60-W62 VanDerWaalsContact O-N 3.15Å; W62-T64 PolarHBondContact O-N 2.9Å; W62-T64 VanDerWaalsContact O-N 3.15Å; W62-N65 WeakPolarHBondContact O-CB 3.49Å; W62-N65 PolarHBondContact O-N 3.3Å; W62-E68 VanDerWaalsContact CB-OE2 3.25Å; W62-E68 WeakPolarHBondContact CB-OE2 3.47Å; W62-E68 HydrophobicContact CE3-CB 4.41Å; W62-L69 HydrophobicContact CZ3-CD1 4.34Å; W62-A72 HydrophobicContact CH2-CB 3.84Å; W62-A72 HydrophobicContact CZ3-CB 3.7Å; W62-F148 HydrophobicContact CH2-CD2 4.16Å; W62-F148 AromaticContact CH2-CE2 3.97Å; W62-F148 HydrophobicContact CH2-CE2 3.97Å; W62-F148 HydrophobicContact CZ3-CE2 4.37Å
63	C	97	Very high	96.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-65.1	-16.1	179	-65.7	0	0	0	0	113.3	T55 A59 P60 A61 N65 L69 I119	T55-C63 HydrophobicContact CG2-CB 3.99Å; A59-C63 HydrophobicContact CB-CB 4.29Å; P60-C63 VanDerWaalsContact O-CB 3.24Å; P60-C63 WeakPolarHBondContact O-CB 3.44Å; P60-C63 PolarHBondContact O-N 2.99Å; A61-C63 PolarHBondContact O-N 2.96Å; A61-C63 VanDerWaalsContact O-N 3.14Å; C63-N65 VanDerWaalsContact C-N 3.34Å; C63-L69 HydrophobicContact CB-CD1 4.49Å; C63-I119 HydrophobicContact CB-CD1 3.84Å
64	T	96.6	Very high	96.5	Very high	88 Å²	88	41.6 Å²	41.6	54%	0.54	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-83	-11.7	173.3	63.3	0	0	0	0	112.9	T55 A61 W62	T55-T64 HydrophobicContact CG2-CG2 4.1Å; A61-T64 PolarHBondContact O-N 2.79Å; A61-T64 PolarHBondContact O-OG1 3.31Å; W62-T64 PolarHBondContact O-N 2.9Å; W62-T64 VanDerWaalsContact O-N 3.15Å
65	N	98.1	Very high	96.4	Very high	65 Å²	65	48.6 Å²	48.6	35%	0.348	29%	0.289	S	S	.	.	S	Bend	trans	-86	114.8	171.1	-178.2	-32	0	0	0	109.4	W62 C63 A67 E68 L69	W62-N65 WeakPolarHBondContact O-CB 3.49Å; W62-N65 PolarHBondContact O-N 3.3Å; C63-N65 VanDerWaalsContact C-N 3.34Å; N65-A67 VanDerWaalsContact C-N 3.34Å; N65-A67 PolarHBondContact O-N 3.45Å; N65-A67 PolarHBondContact OD1-N 3.02Å; N65-E68 HydrophobicContact CB-CB 4.05Å; N65-E68 HydrophobicContact CB-CG 4.09Å; N65-E68 PolarHBondContact ND2-OE1 2.98Å; N65-E68 PolarHBondContact O-N 3.04Å; N65-E68 PolarHBondContact OD1-N 3.08Å; N65-L69 VanDerWaalsContact O-CB 3.25Å; N65-L69 WeakPolarHBondContact O-CB 3.34Å; N65-L69 PolarHBondContact O-N 2.95Å
66	R	98.2	Very high	96.3	Very high	42 Å²	42	47.8 Å²	47.8	16%	0.158	29%	0.287	C	S	.	.	H	α-helix	trans	-56.5	-43.5	-177.8	-171.4	174.2	-68	113.8	7.3	113.3	A23 S27 M31 A51 I53 W70 D121	A23-R66 HydrophobicContact CB-CG 4.2Å; S27-R66 VanDerWaalsContact OG-CD 3.26Å; S27-R66 WeakPolarHBondContact OG-CD 3.24Å; S27-R66 PolarHBondContact OG-NH1 3.3Å; M31-R66 HydrophobicContact CE-CG 4.07Å; M31-R66 HydrophobicContact SD-CG 3.84Å; A51-R66 PolarHBondContact O-NH2 3.01Å; I53-R66 HydrophobicContact CD1-CB 3.73Å; I53-R66 HydrophobicContact CD1-CG 4.24Å; R66-W70 PolarHBondContact O-N 2.99Å; R66-W70 VanDerWaalsContact O-N 3.13Å; R66-D121 WeakPolarHBondContact CD-OD2 3.2Å; R66-D121 WeakPolarHBondContact CG-OD2 3.17Å; R66-D121 IonicContact CZ-OD1 2.73Å; R66-D121 IonicContact NE-OD1 2.84Å; R66-D121 PolarHBondContact NE-OD1 3.05Å; R66-D121 VanDerWaalsContact NE-OD1 3.13Å; R66-D121 IonicContact NE-OD2 3.27Å; R66-D121 PolarHBondContact NE-OD2 3.37Å; R66-D121 IonicContact NH2-OD1 3.44Å; R66-D121 PolarHBondContact NH2-OD1 3.23Å; R66-D121 VanDerWaalsContact NH2-OD1 3.08Å
67	A	98.1	Very high	96.2	Very high	35 Å²	35	47.8 Å²	47.8	29%	0.289	29%	0.286	S	S	.	.	H	α-helix	trans	-67.5	-45.3	-177.8	0	0	0	0	0	111.4	M31 N65 N71	M31-A67 HydrophobicContact CE-CB 4.36Å; M31-A67 HydrophobicContact CG-CB 4.4Å; N65-A67 VanDerWaalsContact C-N 3.34Å; N65-A67 PolarHBondContact O-N 3.45Å; N65-A67 PolarHBondContact OD1-N 3.02Å; A67-N71 WeakPolarHBondContact O-CB 3.42Å; A67-N71 PolarHBondContact O-N 2.92Å; A67-N71 PolarHBondContact O-ND2 2.93Å
68	E	98	Very high	96.2	Very high	94 Å²	94	53.8 Å²	53.8	44%	0.439	29%	0.285	S	S	.	.	H	α-helix	trans	-65.4	-42.9	177	-65.4	178.2	-131.5	0	0	111.1	W62 N65 A72	W62-E68 VanDerWaalsContact CB-OE2 3.25Å; W62-E68 WeakPolarHBondContact CB-OE2 3.47Å; W62-E68 HydrophobicContact CE3-CB 4.41Å; N65-E68 HydrophobicContact CB-CB 4.05Å; N65-E68 HydrophobicContact CB-CG 4.09Å; N65-E68 PolarHBondContact ND2-OE1 2.98Å; N65-E68 PolarHBondContact O-N 3.04Å; N65-E68 PolarHBondContact OD1-N 3.08Å; E68-A72 VanDerWaalsContact O-CB 3.23Å; E68-A72 WeakPolarHBondContact O-CB 3.49Å; E68-A72 PolarHBondContact O-N 3.44Å
69	L	98.4	Very high	96.3	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-55.8	-57.6	178.7	177.3	63	0	0	0	112.4	I53 W62 C63 N65 A72 V73 I119 T139 F148	I53-L69 HydrophobicContact CD1-CD2 4.03Å; I53-L69 HydrophobicContact CG2-CD2 4.18Å; W62-L69 HydrophobicContact CZ3-CD1 4.34Å; C63-L69 HydrophobicContact CB-CD1 4.49Å; N65-L69 VanDerWaalsContact O-CB 3.25Å; N65-L69 WeakPolarHBondContact O-CB 3.34Å; N65-L69 PolarHBondContact O-N 2.95Å; L69-A72 WeakPolarHBondContact O-CB 3.35Å; L69-A72 PolarHBondContact O-N 2.9Å; L69-V73 WeakPolarHBondContact O-CG2 3.22Å; L69-V73 PolarHBondContact O-N 3.49Å; L69-I119 HydrophobicContact CD1-CD1 3.75Å; L69-I119 HydrophobicContact CD1-CG2 4.27Å; L69-I119 HydrophobicContact CD2-CG2 3.69Å; L69-T139 HydrophobicContact CD1-CG2 4.39Å; L69-F148 HydrophobicContact CD1-CE2 4.21Å; L69-F148 HydrophobicContact CD1-CZ 3.68Å
70	W	98.5	Very high	96.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-77.6	-27.4	-171.7	-65.5	113.9	0	0	0	113	A19 V20 A23 M31 R66 V73 E74 A85 D121 M137 T139	A19-W70 HydrophobicContact CB-CE3 3.9Å; V20-W70 HydrophobicContact CG2-CB 4.09Å; A23-W70 HydrophobicContact CB-CB 4.41Å; A23-W70 HydrophobicContact CB-CD2 4.21Å; A23-W70 HydrophobicContact CB-CG 3.68Å; A23-W70 VanDerWaalsContact CB-NE1 3.32Å; M31-W70 HydrophobicContact CE-CB 4.17Å; R66-W70 PolarHBondContact O-N 2.99Å; R66-W70 VanDerWaalsContact O-N 3.13Å; W70-V73 HydrophobicContact CE3-CB 4.14Å; W70-V73 HydrophobicContact CE3-CG1 4.36Å; W70-V73 HydrophobicContact CE3-CG2 3.89Å; W70-V73 HydrophobicContact CZ3-CG2 4.11Å; W70-V73 PolarHBondContact O-N 3.27Å; W70-E74 PolarHBondContact O-N 3.42Å; W70-A85 HydrophobicContact CH2-CB 4.07Å; W70-A85 HydrophobicContact CZ3-CB 3.7Å; W70-D121 HydrophobicContact CZ2-CB 3.69Å; W70-D121 PolarHBondContact NE1-OD2 3.06Å; W70-M137 HydrophobicContact CD2-CE 4.12Å; W70-M137 HydrophobicContact CE3-CE 4.04Å; W70-M137 HydrophobicContact CH2-CB 3.63Å; W70-M137 HydrophobicContact CH2-CE 3.74Å; W70-M137 HydrophobicContact CZ2-CB 3.48Å; W70-M137 VanDerWaalsContact CZ2-CB 3.48Å; W70-M137 HydrophobicContact CZ2-CE 3.8Å; W70-M137 HydrophobicContact CZ3-CE 3.86Å; W70-T139 HydrophobicContact CH2-CG2 4.45Å; W70-T139 HydrophobicContact CZ3-CG2 4.45Å
71	N	98.3	Very high	95.8	Very high	9 Å²	9	69.5 Å²	69.5	5%	0.048	34%	0.338	C	S	.	.	H	α-helix	trans	-67.7	-38.3	167.8	-81.7	-63.3	0	0	0	111.6	V20 L32 E34 A67 V73 E74 K75	V20-N71 WeakPolarHBondContact CG2-OD1 3.45Å; L32-N71 PolarHBondContact O-ND2 3.27Å; L32-N71 PolarHBondContact O-OD1 3.38Å; E34-N71 WeakPolarHBondContact CB-OD1 3.47Å; E34-N71 HydrophobicContact CG-CB 4.37Å; E34-N71 PolarHBondContact N-OD1 3.36Å; A67-N71 WeakPolarHBondContact O-CB 3.42Å; A67-N71 PolarHBondContact O-N 2.92Å; A67-N71 PolarHBondContact O-ND2 2.93Å; N71-V73 VanDerWaalsContact C-N 3.31Å; N71-V73 PolarHBondContact O-N 3.02Å; N71-E74 PolarHBondContact O-N 3.2Å; N71-K75 WeakPolarHBondContact O-CB 3.47Å; N71-K75 PolarHBondContact O-N 2.94Å
72	A	97.6	Very high	95.7	Very high	28 Å²	28	65.7 Å²	65.7	23%	0.231	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-37.3	173.5	0	0	0	0	0	112.2	W62 E68 L69 K75 A76 F148	W62-A72 HydrophobicContact CH2-CB 3.84Å; W62-A72 HydrophobicContact CZ3-CB 3.7Å; E68-A72 VanDerWaalsContact O-CB 3.23Å; E68-A72 WeakPolarHBondContact O-CB 3.49Å; E68-A72 PolarHBondContact O-N 3.44Å; L69-A72 WeakPolarHBondContact O-CB 3.35Å; L69-A72 PolarHBondContact O-N 2.9Å; A72-K75 PolarHBondContact O-N 3.46Å; A72-A76 WeakPolarHBondContact O-CB 3.37Å; A72-A76 PolarHBondContact O-N 3.3Å; A72-F148 HydrophobicContact CB-CD2 4.07Å; A72-F148 HydrophobicContact CB-CE2 3.9Å
73	V	97.8	Very high	95.6	Very high	7 Å²	7	65.5 Å²	65.5	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-48.9	171.9	171.1	0	0	0	0	111.4	A19 L69 W70 N71 K75 A76 E77 L84 T139 F148	A19-V73 HydrophobicContact CB-CG1 4.42Å; L69-V73 WeakPolarHBondContact O-CG2 3.22Å; L69-V73 PolarHBondContact O-N 3.49Å; W70-V73 HydrophobicContact CE3-CB 4.14Å; W70-V73 HydrophobicContact CE3-CG1 4.36Å; W70-V73 HydrophobicContact CE3-CG2 3.89Å; W70-V73 HydrophobicContact CZ3-CG2 4.11Å; W70-V73 PolarHBondContact O-N 3.27Å; N71-V73 VanDerWaalsContact C-N 3.31Å; N71-V73 PolarHBondContact O-N 3.02Å; V73-K75 VanDerWaalsContact C-N 3.29Å; V73-K75 PolarHBondContact O-N 3.4Å; V73-A76 PolarHBondContact O-N 3.01Å; V73-E77 PolarHBondContact O-N 3.11Å; V73-L84 HydrophobicContact CG1-CB 4.32Å; V73-L84 VanDerWaalsContact CG1-O 3.32Å; V73-L84 WeakPolarHBondContact CG1-O 3.32Å; V73-T139 HydrophobicContact CG2-CG2 4.23Å; V73-F148 HydrophobicContact CB-CE2 4.44Å; V73-F148 HydrophobicContact CG2-CD2 4.38Å; V73-F148 HydrophobicContact CG2-CE1 4.41Å; V73-F148 HydrophobicContact CG2-CE2 3.47Å; V73-F148 VanDerWaalsContact CG2-CE2 3.47Å; V73-F148 HydrophobicContact CG2-CZ 3.49Å; V73-F148 VanDerWaalsContact CG2-CZ 3.49Å
74	E	97.5	Very high	95.6	Very high	3 Å²	3	65.5 Å²	65.5	1%	0.014	31%	0.309	C	S	.	.	H	α-helix	trans	-56.9	-43.2	177.6	-79.8	-70.3	167.9	0	0	111.9	R13 S18 A19 V20 R35 W70 N71 E77 L84	R13-E74 IonicContact CZ-OE2 2.64Å; R13-E74 IonicContact NE-OE2 3.15Å; R13-E74 PolarHBondContact NH2-O 3.03Å; R13-E74 IonicContact NH2-OE2 3.09Å; R13-E74 PolarHBondContact NH2-OE2 3.34Å; S18-E74 WeakPolarHBondContact CA-OE1 3.35Å; A19-E74 HydrophobicContact CB-CG 4.33Å; A19-E74 PolarHBondContact N-OE1 3.4Å; V20-E74 HydrophobicContact CG2-CG 4.02Å; R35-E74 IonicContact CZ-OE2 3.52Å; R35-E74 IonicContact NE-OE2 2.67Å; R35-E74 PolarHBondContact NE-OE2 3.23Å; R35-E74 IonicContact NH2-OE2 2.75Å; W70-E74 PolarHBondContact O-N 3.42Å; N71-E74 PolarHBondContact O-N 3.2Å; E74-E77 PolarHBondContact O-N 3.24Å; E74-L84 WeakPolarHBondContact OE1-CD1 3.41Å
75	K	95.9	Very high	95.6	Very high	171 Å²	171	61.3 Å²	61.3	74%	0.743	28%	0.283	S	S	*	.	H	α-helix	trans	-68.3	-37.6	179.1	-171.7	175.2	-177.3	174.6	0	112.9	N71 A72 V73 E77	N71-K75 WeakPolarHBondContact O-CB 3.47Å; N71-K75 PolarHBondContact O-N 2.94Å; A72-K75 PolarHBondContact O-N 3.46Å; V73-K75 VanDerWaalsContact C-N 3.29Å; V73-K75 PolarHBondContact O-N 3.4Å; K75-E77 VanDerWaalsContact C-N 3.28Å; K75-E77 PolarHBondContact O-N 3.46Å
76	A	95.1	Very high	95.5	Very high	27 Å²	27	59 Å²	59	22%	0.223	27%	0.27	C	S	.	.	H	α-helix	trans	-68.1	-27.9	178	0	0	0	0	0	112.7	A72 V73 R141 F148	A72-A76 WeakPolarHBondContact O-CB 3.37Å; A72-A76 PolarHBondContact O-N 3.3Å; V73-A76 PolarHBondContact O-N 3.01Å; A76-R141 PolarHBondContact O-NH2 3.39Å; A76-F148 HydrophobicContact CB-CB 4.36Å
77	E	94.5	Very high	95.5	Very high	13 Å²	13	57.1 Å²	57.1	6%	0.061	26%	0.262	C	S	.	.			trans	-89.9	102.4	179.1	-73.3	-50.8	119.5	0	0	112.3	R13 V73 E74 K75 S82 L84 R141 K151	R13-E77 PolarHBondContact NH1-O 2.88Å; R13-E77 PolarHBondContact NH2-O 2.97Å; V73-E77 PolarHBondContact O-N 3.11Å; E74-E77 PolarHBondContact O-N 3.24Å; K75-E77 VanDerWaalsContact C-N 3.28Å; K75-E77 PolarHBondContact O-N 3.46Å; E77-S82 WeakPolarHBondContact OE2-CB 3.5Å; E77-S82 PolarHBondContact OE2-OG 3.49Å; E77-L84 HydrophobicContact CB-CD2 3.8Å; E77-L84 HydrophobicContact CG-CD2 3.9Å; E77-R141 IonicContact OE1-CZ 2.66Å; E77-R141 IonicContact OE1-NE 3.2Å; E77-R141 PolarHBondContact OE1-NE 3.43Å; E77-R141 IonicContact OE1-NH2 3.64Å; E77-R141 PolarHBondContact OE1-NH2 3.1Å; E77-K151 VanDerWaalsContact CD-NZ 3.27Å; E77-K151 WeakPolarHBondContact OE1-CE 3.47Å; E77-K151 IonicContact OE1-NZ 3.5Å; E77-K151 PolarHBondContact OE1-NZ 3.05Å; E77-K151 WeakPolarHBondContact OE2-CE 3.15Å; E77-K151 IonicContact OE2-NZ 3.83Å; E77-K151 PolarHBondContact OE2-NZ 3.43Å
78	R	89.8	Confident	95.5	Very high	237 Å²	237	55.4 Å²	55.4	89%	0.894	25%	0.249	S	C	*	.			trans	-89.1	-18.7	-171.6	-56.7	175.7	97.5	157.2	4.9	115.1
79	R	91.6	Very high	95.5	Very high	191 Å²	191	53.2 Å²	53.2	72%	0.721	24%	0.238	S	C	*	.	S	Bend	trans	-93.3	147.5	-172.9	-62.5	-176.7	178.5	-180	-1	111.9	R13 N81 S82	R13-R79 PolarHBondContact NH1-O 3.4Å; R79-N81 WeakPolarHBondContact CB-OD1 3.41Å; R79-N81 PolarHBondContact O-N 2.97Å; R79-N81 VanDerWaalsContact O-N 3.17Å; R79-S82 WeakPolarHBondContact CA-OG 3.42Å; R79-S82 PolarHBondContact N-OG 3.11Å; R79-S82 WeakPolarHBondContact O-CB 3.39Å; R79-S82 PolarHBondContact O-N 2.97Å; R79-S82 PolarHBondContact O-OG 3.47Å
80	K	89	Confident	95.4	Very high	185 Å²	185	53.2 Å²	53.2	80%	0.804	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-26	177.8	66.5	177.8	-178.2	176.7	0	114.6	R13 S14	R13-K80 WeakPolarHBondContact CB-O 3.4Å; R13-K80 WeakPolarHBondContact CG-O 3.34Å; S14-K80 PolarHBondContact N-O 3.04Å
81	N	90.2	Very high	95.3	Very high	97 Å²	97	53.8 Å²	53.8	52%	0.519	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	27.1	-179.7	65.8	-21.3	0	0	0	113.2	R79	R79-N81 WeakPolarHBondContact CB-OD1 3.41Å; R79-N81 PolarHBondContact O-N 2.97Å; R79-N81 VanDerWaalsContact O-N 3.17Å
82	S	93.2	Very high	95.2	Very high	8 Å²	8	53.8 Å²	53.8	6%	0.056	24%	0.243	C	C	.	.			trans	-68	137.3	-177.6	-63.9	0	0	0	0	112.1	S12 R13 E77 R79	S12-S82 WeakPolarHBondContact CA-O 3.48Å; R13-S82 PolarHBondContact N-O 3.17Å; E77-S82 WeakPolarHBondContact OE2-CB 3.5Å; E77-S82 PolarHBondContact OE2-OG 3.49Å; R79-S82 WeakPolarHBondContact CA-OG 3.42Å; R79-S82 PolarHBondContact N-OG 3.11Å; R79-S82 WeakPolarHBondContact O-CB 3.39Å; R79-S82 PolarHBondContact O-N 2.97Å; R79-S82 PolarHBondContact O-OG 3.47Å
83	Q	94.5	Very high	95	Very high	76 Å²	76	52.5 Å²	52.5	36%	0.355	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.2	164.2	-60.8	-176.7	-21.4	0	0	108.2	I10 K151 N156	I10-Q83 HydrophobicContact CG2-CB 3.67Å; I10-Q83 HydrophobicContact CG2-CG 3.63Å; Q83-K151 PolarHBondContact O-NZ 3.09Å; Q83-N156 PolarHBondContact OE1-ND2 3.41Å
84	L	96.1	Very high	94.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-50.2	-170.3	-58.5	160.7	0	0	0	110.6	I11 R13 A19 V73 E74 E77 T140	I11-L84 HydrophobicContact CG2-CD1 4.42Å; I11-L84 WeakPolarHBondContact O-CB 3.01Å; I11-L84 PolarHBondContact O-N 2.87Å; R13-L84 HydrophobicContact CB-CD1 4.23Å; A19-L84 HydrophobicContact CB-CB 4.01Å; A19-L84 HydrophobicContact CB-CD1 4.35Å; V73-L84 HydrophobicContact CG1-CB 4.32Å; V73-L84 VanDerWaalsContact CG1-O 3.32Å; V73-L84 WeakPolarHBondContact CG1-O 3.32Å; E74-L84 WeakPolarHBondContact OE1-CD1 3.41Å; E77-L84 HydrophobicContact CB-CD2 3.8Å; E77-L84 HydrophobicContact CG-CD2 3.9Å; L84-T140 PolarHBondContact O-OG1 2.8Å
85	A	97.2	Very high	94.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	159	-178	0	0	0	0	0	110.9	I11 W70 M137 L138	I11-A85 HydrophobicContact CB-CB 4.26Å; I11-A85 HydrophobicContact CD1-CB 4.23Å; I11-A85 PolarHBondContact N-O 3.09Å; I11-A85 PolarHBondContact O-N 3.39Å; W70-A85 HydrophobicContact CH2-CB 4.07Å; W70-A85 HydrophobicContact CZ3-CB 3.7Å; A85-M137 HydrophobicContact CB-CE 3.93Å; A85-L138 WeakPolarHBondContact CA-O 3.49Å
86	R	96.9	Very high	94.1	Very high	17 Å²	17	50.7 Å²	50.7	6%	0.064	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	142.9	159.6	168.6	-179.2	-64.1	112.7	7.1	108.2	I10 I88 M137 L138 W155 N156	I10-R86 HydrophobicContact CD1-CB 4.02Å; I10-R86 HydrophobicContact CD1-CG 4.48Å; R86-I88 HydrophobicContact CG-CG1 4.32Å; R86-M137 CarbonylContact O-C 3.56Å; R86-M137 WeakPolarHBondContact O-CA 3.4Å; R86-L138 HydrophobicContact CB-CB 4.22Å; R86-L138 HydrophobicContact CG-CD1 4.38Å; R86-L138 PolarHBondContact N-O 3.26Å; R86-L138 PolarHBondContact O-N 2.86Å; R86-W155 PolarHBondContact NH1-O 2.93Å; R86-W155 PolarHBondContact NH2-O 3.21Å; R86-N156 PolarHBondContact NH2-OD1 3.07Å
87	E	97.6	Very high	93.9	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.6	167.8	179.7	178.7	-177.3	0	0	109.9	M8 K9 I11 R26 H135 I136	M8-E87 CarbonylContact C-O 3.57Å; M8-E87 VanDerWaalsContact CA-O 3.25Å; M8-E87 WeakPolarHBondContact CA-O 3.36Å; K9-E87 WeakPolarHBondContact CE-OE2 3.46Å; K9-E87 HydrophobicContact CG-CB 4.01Å; K9-E87 PolarHBondContact N-O 3.31Å; K9-E87 IonicContact NZ-OE1 2.88Å; K9-E87 PolarHBondContact NZ-OE1 3.4Å; K9-E87 IonicContact NZ-OE2 3.65Å; K9-E87 PolarHBondContact O-N 3.27Å; I11-E87 HydrophobicContact CD1-CB 4.16Å; I11-E87 HydrophobicContact CG1-CB 4.39Å; R26-E87 IonicContact CZ-OE1 3.77Å; R26-E87 IonicContact CZ-OE2 3.84Å; R26-E87 IonicContact NE-OE1 3.94Å; R26-E87 PolarHBondContact NE-OE1 2.97Å; R26-E87 IonicContact NE-OE2 2.8Å; R26-E87 PolarHBondContact NE-OE2 2.88Å; R26-E87 VanDerWaalsContact NH2-CD 3.26Å; R26-E87 IonicContact NH2-OE1 2.97Å; R26-E87 PolarHBondContact NH2-OE1 2.91Å; R26-E87 IonicContact NH2-OE2 3.71Å; R26-E87 PolarHBondContact NH2-OE2 3.07Å; E87-H135 IonicContact OE1-CE1 3.73Å; E87-H135 IonicContact OE1-CG 3.27Å; E87-H135 IonicContact OE1-ND1 3.63Å; E87-H135 PolarHBondContact OE1-ND1 3.33Å; E87-I136 CarbonylContact C-O 3.48Å; E87-I136 VanDerWaalsContact CA-O 3.29Å; E87-I136 WeakPolarHBondContact CA-O 3.43Å
88	I	98	Very high	93.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.8	167	-54.7	-176.6	0	0	0	107.3	L6 S7 M8 R86 F113 I136 L138 W164	L6-I88 HydrophobicContact CD1-CG2 4.22Å; L6-I88 HydrophobicContact CD2-CG2 3.83Å; L6-I88 HydrophobicContact CG-CG2 3.87Å; S7-I88 WeakPolarHBondContact O-CA 3.21Å; M8-I88 HydrophobicContact CG-CG1 4.12Å; R86-I88 HydrophobicContact CG-CG1 4.32Å; I88-F113 HydrophobicContact CD1-CE1 3.54Å; I88-F113 HydrophobicContact CD1-CE2 3.82Å; I88-F113 HydrophobicContact CD1-CZ 3.13Å; I88-I136 HydrophobicContact CB-CB 4.21Å; I88-I136 HydrophobicContact CB-CD1 4.4Å; I88-I136 HydrophobicContact CG2-CD1 4.4Å; I88-I136 PolarHBondContact N-O 3.49Å; I88-I136 PolarHBondContact O-N 3.31Å; I88-L138 HydrophobicContact CD1-CD1 3.71Å; I88-L138 HydrophobicContact CG1-CD1 4.16Å; I88-W164 HydrophobicContact CD1-CE3 4.21Å
89	E	97.2	Very high	94	Very high	48 Å²	48	52.8 Å²	52.8	22%	0.224	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.7	177.6	179.8	179.2	165	0	0	107.4	L6 S7 K9 A134 H135	L6-E89 CarbonylContact C-O 3.56Å; L6-E89 WeakPolarHBondContact CA-O 3.15Å; S7-E89 PolarHBondContact N-O 2.94Å; S7-E89 PolarHBondContact O-N 2.81Å; K9-E89 IonicContact NZ-OE2 2.88Å; K9-E89 PolarHBondContact NZ-OE2 3.31Å; E89-A134 WeakPolarHBondContact CA-O 3.17Å; E89-H135 VanDerWaalsContact CD-CE1 3.48Å; E89-H135 IonicContact OE1-CE1 3.32Å; E89-H135 IonicContact OE2-CE1 3.34Å; E89-H135 IonicContact OE2-ND1 3.89Å
90	L	97.4	Very high	94.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.7	-176.4	59.8	80.4	0	0	0	111.8	H5 L6 I92 V105 F108 H133 A134 I136 W168	H5-L90 VanDerWaalsContact O-CA 3.24Å; H5-L90 WeakPolarHBondContact O-CA 3.48Å; L6-L90 HydrophobicContact CB-CB 4.43Å; L6-L90 HydrophobicContact CD1-CB 4.43Å; L6-L90 HydrophobicContact CG-CB 4.26Å; L90-I92 HydrophobicContact CD1-CG1 3.85Å; L90-V105 HydrophobicContact CD1-CG2 3.97Å; L90-F108 HydrophobicContact CD2-CD1 4Å; L90-F108 HydrophobicContact CD2-CE1 3.84Å; L90-H133 CarbonylContact O-C 3.46Å; L90-H133 VanDerWaalsContact O-CA 3.22Å; L90-H133 WeakPolarHBondContact O-CA 3.33Å; L90-H133 WeakPolarHBondContact O-CB 3.41Å; L90-A134 HydrophobicContact CD1-CB 3.89Å; L90-A134 HydrophobicContact CG-CB 4.3Å; L90-A134 PolarHBondContact N-O 3.46Å; L90-A134 PolarHBondContact O-N 3.34Å; L90-I136 HydrophobicContact CD2-CD1 3.67Å; L90-I136 HydrophobicContact CG-CD1 4.36Å; L90-W168 HydrophobicContact CD1-CH2 3.92Å; L90-W168 HydrophobicContact CD1-CZ2 3.7Å; L90-W168 HydrophobicContact CD1-CZ3 4.42Å; L90-W168 HydrophobicContact CD2-CD2 4.01Å; L90-W168 HydrophobicContact CD2-CE3 4.06Å; L90-W168 HydrophobicContact CD2-CZ3 4.36Å
91	A	95.9	Very high	94.4	Very high	11 Å²	11	36.9 Å²	36.9	9%	0.091	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	142.7	168.9	0	0	0	0	0	109.6	H5 W168	H5-A91 HydrophobicContact CB-CB 3.66Å; H5-A91 PolarHBondContact O-N 2.9Å; A91-W168 WeakPolarHBondContact O-CZ2 3.25Å; A91-W168 PolarHBondContact O-NE1 3.1Å
92	I	95.7	Very high	94.7	Very high	9 Å²	9	35.3 Å²	35.3	5%	0.046	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-103.9	134.6	176.7	-61.1	171.3	0	0	0	107	L90 H94 A101 V105 F124 M127 P132 A134	L90-I92 HydrophobicContact CD1-CG1 3.85Å; I92-H94 PolarHBondContact O-N 3.5Å; I92-H94 VanDerWaalsContact O-N 3.17Å; I92-A101 HydrophobicContact CG2-CB 3.59Å; I92-V105 HydrophobicContact CD1-CG2 3.92Å; I92-V105 HydrophobicContact CG1-CG2 3.98Å; I92-F124 HydrophobicContact CD1-CD1 4.1Å; I92-F124 HydrophobicContact CD1-CE1 4.49Å; I92-M127 HydrophobicContact CD1-CE 4.21Å; I92-M127 HydrophobicContact CD1-SD 3.67Å; I92-P132 HydrophobicContact CB-CB 4.16Å; I92-P132 HydrophobicContact CB-CG 4.34Å; I92-P132 PolarHBondContact N-O 3.42Å; I92-P132 WeakPolarHBondContact O-CG 3.48Å; I92-A134 HydrophobicContact CD1-CB 4.25Å
93	P	93.6	Very high	94.9	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.013	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-60	119.8	172.6	-22	32.3	0	0	0	110.6	A2 E95 L96 A172 L176	A2-P93 HydrophobicContact CB-CB 3.98Å; A2-P93 HydrophobicContact CB-CG 4.38Å; P93-E95 PolarHBondContact O-N 2.94Å; P93-L96 HydrophobicContact CB-CD1 4.22Å; P93-L96 HydrophobicContact CB-CG 4.17Å; P93-L96 HydrophobicContact CG-CD1 4.16Å; P93-L96 PolarHBondContact O-N 2.89Å; P93-L96 VanDerWaalsContact O-N 3.14Å; P93-A172 HydrophobicContact CG-CB 4.15Å; P93-L176 HydrophobicContact CB-CD1 4.21Å; P93-L176 HydrophobicContact CB-CD2 3.88Å; P93-L176 HydrophobicContact CB-CG 4.25Å; P93-L176 HydrophobicContact CG-CD1 4.06Å; P93-L176 HydrophobicContact CG-CD2 4.49Å; P93-L176 HydrophobicContact CG-CG 4.33Å
94	H	91.3	Very high	95	Very high	106 Å²	106	35.9 Å²	35.9	49%	0.491	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.4	-178.6	79.8	-60.6	0	0	0	113.2	I92 L96 P132	I92-H94 PolarHBondContact O-N 3.5Å; I92-H94 VanDerWaalsContact O-N 3.17Å; H94-L96 PolarHBondContact O-N 3.35Å; H94-P132 HydrophobicContact CB-CG 3.78Å
95	E	90.4	Very high	95.1	Very high	23 Å²	23	35.9 Å²	35.9	11%	0.107	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.6	171.9	-66.5	83.5	179.4	0	0	112.4	M1 A2 P93 L176 Y181	M1-E95 WeakPolarHBondContact CA-OE1 3.4Å; M1-E95 PolarHBondContact N-OE1 2.79Å; A2-E95 PolarHBondContact N-OE1 2.82Å; A2-E95 VanDerWaalsContact N-OE1 3.08Å; P93-E95 PolarHBondContact O-N 2.94Å; E95-L176 HydrophobicContact CB-CD2 3.92Å; E95-Y181 HydrophobicContact CB-CD1 4.24Å; E95-Y181 HydrophobicContact CB-CD2 4.16Å; E95-Y181 HydrophobicContact CB-CE1 3.91Å; E95-Y181 HydrophobicContact CB-CE2 3.83Å; E95-Y181 HydrophobicContact CB-CG 4.36Å; E95-Y181 HydrophobicContact CG-CD1 4.25Å; E95-Y181 HydrophobicContact CG-CE1 3.97Å; E95-Y181 VanDerWaalsContact O-CE2 3.31Å; E95-Y181 WeakPolarHBondContact O-CE2 3.42Å; E95-Y181 PolarHBondContact O-OH 3.3Å
96	L	91.4	Very high	95.2	Very high	13 Å²	13	36 Å²	36	7%	0.068	19%	0.187	C	C	.	.	S	Bend	trans	-79.2	136.8	179.7	-65	175.8	0	0	0	111.8	P93 H94 A101 A175 L176 A179	P93-L96 HydrophobicContact CB-CD1 4.22Å; P93-L96 HydrophobicContact CB-CG 4.17Å; P93-L96 HydrophobicContact CG-CD1 4.16Å; P93-L96 PolarHBondContact O-N 2.89Å; P93-L96 VanDerWaalsContact O-N 3.14Å; H94-L96 PolarHBondContact O-N 3.35Å; L96-A101 HydrophobicContact CB-CB 4.02Å; L96-A175 HydrophobicContact CD1-CB 3.79Å; L96-A175 HydrophobicContact CD2-CB 3.86Å; L96-A175 WeakPolarHBondContact CD2-O 3.4Å; L96-L176 HydrophobicContact CD2-CD2 4.09Å; L96-L176 HydrophobicContact CD2-CG 4.33Å; L96-L176 HydrophobicContact CG-CD2 4.25Å; L96-A179 HydrophobicContact CD2-CB 4.02Å
97	P	90.9	Very high	95.3	Very high	80 Å²	80	37 Å²	37	52%	0.519	20%	0.199	S	C	.	.			trans	-56	146.2	166.2	-23.2	33	0	0	0	111.4	D99 A100 A101	P97-D99 VanDerWaalsContact C-N 3.31Å; P97-D99 PolarHBondContact O-N 2.77Å; P97-A100 HydrophobicContact CB-CB 4.41Å; P97-A100 WeakPolarHBondContact O-CB 3.48Å; P97-A100 PolarHBondContact O-N 3.05Å; P97-A101 WeakPolarHBondContact O-CB 3.35Å; P97-A101 PolarHBondContact O-N 3.44Å
98	Q	91.8	Very high	95.3	Very high	109 Å²	109	36.9 Å²	36.9	51%	0.509	20%	0.198	S	C	.	.	H	α-helix	trans	-54.1	-42.5	-172.6	-69.4	-173.5	-4.2	0	0	113.8	A101 R102 M127	Q98-A101 WeakPolarHBondContact O-CB 3.24Å; Q98-A101 PolarHBondContact O-N 2.88Å; Q98-R102 WeakPolarHBondContact O-CB 3.25Å; Q98-R102 PolarHBondContact O-N 3.46Å; Q98-M127 HydrophobicContact CG-CB 4.38Å; Q98-M127 PolarHBondContact NE2-O 3.42Å
99	D	93.3	Very high	95.4	Very high	132 Å²	132	36.9 Å²	36.9	71%	0.706	20%	0.198	S	C	*	.	H	α-helix	trans	-65.9	-42.3	178.2	-66.7	-26.3	0	0	0	112.1	P97 R102 E103	P97-D99 VanDerWaalsContact C-N 3.31Å; P97-D99 PolarHBondContact O-N 2.77Å; D99-R102 PolarHBondContact O-N 3.45Å; D99-E103 PolarHBondContact O-N 2.96Å
100	A	94.2	Very high	95.4	Very high	40 Å²	40	39.9 Å²	39.9	33%	0.331	21%	0.207	S	C	.	.	H	α-helix	trans	-66.6	-41.9	176.9	0	0	0	0	0	111.2	P97 E103 T104	P97-A100 HydrophobicContact CB-CB 4.41Å; P97-A100 WeakPolarHBondContact O-CB 3.48Å; P97-A100 PolarHBondContact O-N 3.05Å; A100-E103 PolarHBondContact O-N 2.98Å; A100-T104 VanDerWaalsContact O-CB 3.31Å; A100-T104 WeakPolarHBondContact O-CB 3.47Å; A100-T104 PolarHBondContact O-N 2.83Å; A100-T104 PolarHBondContact O-OG1 2.97Å
101	A	94.9	Very high	95.5	Very high	3 Å²	3	45 Å²	45	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-59	-47.4	174.5	0	0	0	0	0	111.6	I92 L96 P97 Q98 T104 V105 M127	I92-A101 HydrophobicContact CG2-CB 3.59Å; L96-A101 HydrophobicContact CB-CB 4.02Å; P97-A101 WeakPolarHBondContact O-CB 3.35Å; P97-A101 PolarHBondContact O-N 3.44Å; Q98-A101 WeakPolarHBondContact O-CB 3.24Å; Q98-A101 PolarHBondContact O-N 2.88Å; A101-T104 PolarHBondContact O-N 3.43Å; A101-V105 WeakPolarHBondContact O-CG2 3.24Å; A101-V105 PolarHBondContact O-N 3.41Å; A101-M127 HydrophobicContact CB-CE 3.68Å
102	R	96.6	Very high	95.6	Very high	63 Å²	63	45.2 Å²	45.2	24%	0.238	23%	0.231	C	C	.	.	H	α-helix	trans	-57.9	-54.8	175.7	-178.4	-172.5	-174.9	-92.4	4.9	111.2	E50 Q98 D99 T104 V105 L106 F124	E50-R102 IonicContact OE1-CZ 3.28Å; E50-R102 IonicContact OE1-NE 3.87Å; E50-R102 PolarHBondContact OE1-NE 3.19Å; E50-R102 IonicContact OE1-NH2 3.72Å; E50-R102 PolarHBondContact OE1-NH2 2.89Å; E50-R102 WeakPolarHBondContact OE2-CD 3.3Å; E50-R102 IonicContact OE2-CZ 2.68Å; E50-R102 IonicContact OE2-NE 2.7Å; E50-R102 PolarHBondContact OE2-NE 3.07Å; E50-R102 IonicContact OE2-NH2 3.65Å; Q98-R102 WeakPolarHBondContact O-CB 3.25Å; Q98-R102 PolarHBondContact O-N 3.46Å; D99-R102 PolarHBondContact O-N 3.45Å; R102-T104 VanDerWaalsContact C-N 3.27Å; R102-T104 PolarHBondContact O-N 3.23Å; R102-V105 PolarHBondContact O-N 2.95Å; R102-L106 HydrophobicContact CG-CD1 4.1Å; R102-L106 HydrophobicContact CG-CG 4.47Å; R102-L106 WeakPolarHBondContact O-CG 3.4Å; R102-L106 PolarHBondContact O-N 3.45Å; R102-F124 HydrophobicContact CG-CE1 4.41Å; R102-F124 HydrophobicContact CG-CE2 4.32Å; R102-F124 HydrophobicContact CG-CZ 4.02Å
103	E	97.6	Very high	95.7	Very high	81 Å²	81	44.8 Å²	44.8	38%	0.379	23%	0.229	S	C	.	.	H	α-helix	trans	-64.3	-32	-178.2	-74	-51.3	129	0	0	112.8	D99 A100 L106 A107 R110	D99-E103 PolarHBondContact O-N 2.96Å; A100-E103 PolarHBondContact O-N 2.98Å; E103-L106 PolarHBondContact O-N 3.33Å; E103-A107 VanDerWaalsContact O-CB 3.23Å; E103-A107 WeakPolarHBondContact O-CB 3.29Å; E103-A107 PolarHBondContact O-N 3.49Å; E103-R110 IonicContact OE2-NH1 3.38Å; E103-R110 PolarHBondContact OE2-NH1 3.39Å
104	T	97.8	Very high	95.9	Very high	16 Å²	16	45.6 Å²	45.6	10%	0.098	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-46.3	175	-58.6	0	0	0	0	111.3	A100 A101 R102 F108 W168 H171 A175	A100-T104 VanDerWaalsContact O-CB 3.31Å; A100-T104 WeakPolarHBondContact O-CB 3.47Å; A100-T104 PolarHBondContact O-N 2.83Å; A100-T104 PolarHBondContact O-OG1 2.97Å; A101-T104 PolarHBondContact O-N 3.43Å; R102-T104 VanDerWaalsContact C-N 3.27Å; R102-T104 PolarHBondContact O-N 3.23Å; T104-F108 WeakPolarHBondContact O-CB 3.38Å; T104-F108 PolarHBondContact O-N 3.37Å; T104-F108 VanDerWaalsContact O-N 3.07Å; T104-W168 HydrophobicContact CG2-CH2 4.09Å; T104-W168 HydrophobicContact CG2-CZ3 3.92Å; T104-H171 HydrophobicContact CG2-CB 4.06Å; T104-A175 HydrophobicContact CG2-CB 3.91Å; T104-A175 VanDerWaalsContact OG1-CB 3.25Å; T104-A175 WeakPolarHBondContact OG1-CB 3.25Å
105	V	98.5	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-43.9	176.6	176.1	0	0	0	0	111.1	L90 I92 A101 R102 A107 F108 V109 V122 F124 A134 W168	L90-V105 HydrophobicContact CD1-CG2 3.97Å; I92-V105 HydrophobicContact CD1-CG2 3.92Å; I92-V105 HydrophobicContact CG1-CG2 3.98Å; A101-V105 WeakPolarHBondContact O-CG2 3.24Å; A101-V105 PolarHBondContact O-N 3.41Å; R102-V105 PolarHBondContact O-N 2.95Å; V105-A107 PolarHBondContact O-N 3.34Å; V105-F108 PolarHBondContact O-N 3.17Å; V105-V109 HydrophobicContact CG1-CG2 4.33Å; V105-V109 WeakPolarHBondContact O-CB 3.28Å; V105-V109 VanDerWaalsContact O-CG2 3.29Å; V105-V109 WeakPolarHBondContact O-CG2 3.4Å; V105-V109 PolarHBondContact O-N 2.84Å; V105-V122 HydrophobicContact CG1-CG1 4.04Å; V105-F124 HydrophobicContact CB-CE1 3.64Å; V105-F124 HydrophobicContact CB-CZ 3.99Å; V105-F124 HydrophobicContact CG1-CE1 3.79Å; V105-F124 HydrophobicContact CG1-CZ 3.93Å; V105-F124 HydrophobicContact CG2-CE1 3.9Å; V105-A134 HydrophobicContact CG1-CB 4.04Å; V105-W168 HydrophobicContact CG2-CH2 3.86Å; V105-W168 HydrophobicContact CG2-CZ3 4.11Å
106	L	98.6	Very high	96.3	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-37.7	-179.7	-62.8	-178.2	0	0	0	112.1	V52 L54 R102 E103 V109 R110 F124	V52-L106 HydrophobicContact CG1-CD2 3.78Å; L54-L106 HydrophobicContact CD1-CD2 3.88Å; L54-L106 HydrophobicContact CG-CD2 4.48Å; R102-L106 HydrophobicContact CG-CD1 4.1Å; R102-L106 HydrophobicContact CG-CG 4.47Å; R102-L106 WeakPolarHBondContact O-CG 3.4Å; R102-L106 PolarHBondContact O-N 3.45Å; E103-L106 PolarHBondContact O-N 3.33Å; L106-V109 PolarHBondContact O-N 3.46Å; L106-R110 WeakPolarHBondContact O-CB 3.48Å; L106-R110 WeakPolarHBondContact O-CG 3.19Å; L106-R110 PolarHBondContact O-N 2.87Å; L106-F124 HydrophobicContact CD2-CE2 4.17Å; L106-F124 HydrophobicContact CD2-CZ 3.94Å; L106-F124 HydrophobicContact CG-CZ 4.17Å
107	A	98.5	Very high	96.4	Very high	38 Å²	38	49.1 Å²	49.1	31%	0.314	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-49.6	173	0	0	0	0	0	111.1	E103 V105 V109 R110 E111	E103-A107 VanDerWaalsContact O-CB 3.23Å; E103-A107 WeakPolarHBondContact O-CB 3.29Å; E103-A107 PolarHBondContact O-N 3.49Å; V105-A107 PolarHBondContact O-N 3.34Å; A107-V109 VanDerWaalsContact C-N 3.32Å; A107-V109 PolarHBondContact O-N 2.92Å; A107-R110 PolarHBondContact O-N 3.32Å; A107-E111 WeakPolarHBondContact O-CB 3.38Å; A107-E111 PolarHBondContact O-N 3.46Å
108	F	98.6	Very high	96.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-55.6	-46	175.2	167.5	-106	0	0	0	112.1	L6 L90 T104 V105 E111 N112 F113 I136 W164 W168 H171	L6-F108 HydrophobicContact CD1-CZ 4.06Å; L90-F108 HydrophobicContact CD2-CD1 4Å; L90-F108 HydrophobicContact CD2-CE1 3.84Å; T104-F108 WeakPolarHBondContact O-CB 3.38Å; T104-F108 PolarHBondContact O-N 3.37Å; T104-F108 VanDerWaalsContact O-N 3.07Å; V105-F108 PolarHBondContact O-N 3.17Å; F108-E111 PolarHBondContact O-N 2.93Å; F108-N112 WeakPolarHBondContact CD2-ND2 3.41Å; F108-N112 HydrophobicContact CE2-CB 4.37Å; F108-N112 WeakPolarHBondContact CE2-ND2 3.29Å; F108-N112 WeakPolarHBondContact O-CB 3.36Å; F108-N112 PolarHBondContact O-N 3.03Å; F108-N112 PolarHBondContact O-ND2 3.45Å; F108-F113 HydrophobicContact CD1-CE2 4.28Å; F108-F113 AromaticContact CE1-CE2 3.65Å; F108-F113 HydrophobicContact CE1-CE2 3.65Å; F108-F113 AromaticContact CE1-CZ 3.95Å; F108-F113 HydrophobicContact CE1-CZ 3.95Å; F108-F113 HydrophobicContact CZ-CE2 4.02Å; F108-F113 AromaticContact CZ-CZ 3.86Å; F108-F113 HydrophobicContact CZ-CZ 3.86Å; F108-I136 HydrophobicContact CD1-CD1 4.47Å; F108-I136 HydrophobicContact CE1-CD1 4.25Å; F108-W164 WeakPolarHBondContact CE2-O 3.41Å; F108-W164 HydrophobicContact CZ-CB 4.43Å; F108-W168 HydrophobicContact CB-CE3 4.03Å; F108-W168 HydrophobicContact CB-CZ3 4.27Å; F108-W168 HydrophobicContact CD1-CE3 4.06Å; F108-W168 HydrophobicContact CD2-CB 4.19Å; F108-W168 HydrophobicContact CD2-CE3 4.22Å; F108-W168 HydrophobicContact CE2-CB 3.82Å; F108-W168 AromaticContact CG-CE3 3.84Å; F108-W168 HydrophobicContact CG-CE3 3.84Å; F108-W168 HydrophobicContact CG-CZ3 4.48Å; F108-W168 HydrophobicContact CZ-CB 4.09Å; F108-H171 HydrophobicContact CB-CB 4.41Å
109	V	98.7	Very high	97	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.6	-41.9	-179.9	169.3	0	0	0	0	112.2	L54 V105 L106 A107 F113 V114 A120 V122 I136	L54-V109 HydrophobicContact CD1-CB 4.12Å; L54-V109 HydrophobicContact CD1-CG1 3.6Å; V105-V109 HydrophobicContact CG1-CG2 4.33Å; V105-V109 WeakPolarHBondContact O-CB 3.28Å; V105-V109 VanDerWaalsContact O-CG2 3.29Å; V105-V109 WeakPolarHBondContact O-CG2 3.4Å; V105-V109 PolarHBondContact O-N 2.84Å; L106-V109 PolarHBondContact O-N 3.46Å; A107-V109 VanDerWaalsContact C-N 3.32Å; A107-V109 PolarHBondContact O-N 2.92Å; V109-F113 HydrophobicContact CB-CD2 4.25Å; V109-F113 HydrophobicContact CG1-CD2 4.13Å; V109-F113 HydrophobicContact CG2-CD2 4.23Å; V109-F113 HydrophobicContact CG2-CE2 4.35Å; V109-F113 PolarHBondContact O-N 3.35Å; V109-V114 HydrophobicContact CG1-CG2 4.15Å; V109-V114 PolarHBondContact O-N 3.5Å; V109-A120 HydrophobicContact CG1-CB 3.4Å; V109-A120 VanDerWaalsContact CG1-CB 3.4Å; V109-V122 HydrophobicContact CG1-CG2 4.14Å; V109-V122 HydrophobicContact CG2-CG2 4.09Å; V109-I136 HydrophobicContact CG2-CD1 3.62Å; V109-I136 HydrophobicContact CG2-CG1 4Å; V109-I136 HydrophobicContact CG2-CG2 4.16Å
110	R	98.5	Very high	97.3	Very high	110 Å²	110	34 Å²	34	42%	0.415	18%	0.183	S	C	.	.	H	α-helix	trans	-61.9	-47.7	177	-74	169.4	-171.7	135.1	-1	110.8	L54 E103 L106 A107 S115	L54-R110 HydrophobicContact CD1-CG 4.04Å; E103-R110 IonicContact OE2-NH1 3.38Å; E103-R110 PolarHBondContact OE2-NH1 3.39Å; L106-R110 WeakPolarHBondContact O-CB 3.48Å; L106-R110 WeakPolarHBondContact O-CG 3.19Å; L106-R110 PolarHBondContact O-N 2.87Å; A107-R110 PolarHBondContact O-N 3.32Å; R110-S115 WeakPolarHBondContact O-CB 3.41Å; R110-S115 PolarHBondContact O-N 3.28Å
111	E	98.3	Very high	97.5	Very high	107 Å²	107	32.4 Å²	32.4	50%	0.5	17%	0.169	S	C	.	.	H	α-helix	trans	-65.8	-45.2	-178.3	-174.6	-179.5	133	0	0	112.3	A107 F108 S115 H171	A107-E111 WeakPolarHBondContact O-CB 3.38Å; A107-E111 PolarHBondContact O-N 3.46Å; F108-E111 PolarHBondContact O-N 2.93Å; E111-S115 WeakPolarHBondContact O-CB 3.47Å; E111-S115 PolarHBondContact O-OG 3.42Å; E111-H171 IonicContact OE1-CE1 3.65Å; E111-H171 IonicContact OE2-CE1 3.78Å; E111-H171 PolarHBondContact OE2-CE1 2.76Å; E111-H171 IonicContact OE2-NE2 2.88Å; E111-H171 PolarHBondContact OE2-NE2 2.84Å
112	N	97.7	Very high	97.7	Very high	16 Å²	16	32.2 Å²	32.2	9%	0.086	17%	0.168	C	C	.	.	H	α-helix	trans	-92.8	-25.8	-168.6	-72.5	-87.6	0	0	0	114.4	F108 Q116 S167	F108-N112 WeakPolarHBondContact CD2-ND2 3.41Å; F108-N112 HydrophobicContact CE2-CB 4.37Å; F108-N112 WeakPolarHBondContact CE2-ND2 3.29Å; F108-N112 WeakPolarHBondContact O-CB 3.36Å; F108-N112 PolarHBondContact O-N 3.03Å; F108-N112 PolarHBondContact O-ND2 3.45Å; N112-Q116 WeakPolarHBondContact O-CG 3.42Å; N112-S167 PolarHBondContact ND2-OG 3.28Å; N112-S167 PolarHBondContact OD1-OG 2.83Å
113	F	97.7	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-53.1	-171.2	-47.3	-56.2	0	0	0	113.2	I88 F108 V109 S115 Q116 G117 M118 L138 W164	I88-F113 HydrophobicContact CD1-CE1 3.54Å; I88-F113 HydrophobicContact CD1-CE2 3.82Å; I88-F113 HydrophobicContact CD1-CZ 3.13Å; F108-F113 HydrophobicContact CD1-CE2 4.28Å; F108-F113 AromaticContact CE1-CE2 3.65Å; F108-F113 HydrophobicContact CE1-CE2 3.65Å; F108-F113 AromaticContact CE1-CZ 3.95Å; F108-F113 HydrophobicContact CE1-CZ 3.95Å; F108-F113 HydrophobicContact CZ-CE2 4.02Å; F108-F113 AromaticContact CZ-CZ 3.86Å; F108-F113 HydrophobicContact CZ-CZ 3.86Å; V109-F113 HydrophobicContact CB-CD2 4.25Å; V109-F113 HydrophobicContact CG1-CD2 4.13Å; V109-F113 HydrophobicContact CG2-CD2 4.23Å; V109-F113 HydrophobicContact CG2-CE2 4.35Å; V109-F113 PolarHBondContact O-N 3.35Å; F113-S115 VanDerWaalsContact C-N 3.34Å; F113-S115 PolarHBondContact O-N 2.85Å; F113-Q116 WeakPolarHBondContact O-CB 3.4Å; F113-Q116 PolarHBondContact O-N 3Å; F113-Q116 VanDerWaalsContact O-N 3.07Å; F113-G117 PolarHBondContact O-N 3.27Å; F113-M118 HydrophobicContact CB-CB 4.24Å; F113-M118 HydrophobicContact CB-CE 4.29Å; F113-M118 HydrophobicContact CB-SD 4.43Å; F113-M118 HydrophobicContact CD1-CE 4.05Å; F113-M118 HydrophobicContact CD1-SD 4.36Å; F113-M118 WeakPolarHBondContact O-CB 3.36Å; F113-M118 PolarHBondContact O-N 2.96Å; F113-M118 VanDerWaalsContact O-N 3.13Å; F113-L138 HydrophobicContact CB-CD1 4.4Å; F113-L138 HydrophobicContact CB-CD2 3.72Å; F113-L138 HydrophobicContact CD1-CD1 3.5Å; F113-L138 HydrophobicContact CD1-CD2 4.34Å; F113-L138 HydrophobicContact CD2-CD1 4.12Å; F113-L138 HydrophobicContact CD2-CD2 3.88Å; F113-L138 HydrophobicContact CE1-CD1 3.77Å; F113-L138 HydrophobicContact CE2-CD1 4.36Å; F113-L138 HydrophobicContact CG-CD1 3.72Å; F113-L138 HydrophobicContact CG-CD2 3.7Å; F113-L138 HydrophobicContact CG-CG 4.38Å; F113-L138 HydrophobicContact CZ-CD1 4.23Å; F113-W164 HydrophobicContact CD1-CZ2 4.43Å; F113-W164 AromaticContact CE1-CD1 3.98Å; F113-W164 AromaticContact CE1-CD2 3.74Å; F113-W164 HydrophobicContact CE1-CD2 3.74Å; F113-W164 AromaticContact CE1-CE2 3.59Å; F113-W164 HydrophobicContact CE1-CE3 4.27Å; F113-W164 AromaticContact CE1-CG 4Å; F113-W164 HydrophobicContact CE1-CG 4Å; F113-W164 HydrophobicContact CE1-CZ2 4.03Å; F113-W164 AromaticContact CE1-NE1 3.74Å; F113-W164 HydrophobicContact CZ-CD2 4.34Å; F113-W164 HydrophobicContact CZ-CG 4.27Å
114	V	97.6	Very high	97.8	Very high	20 Å²	20	25.6 Å²	25.6	12%	0.121	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-67.1	-39.3	-175.8	-175.9	0	0	0	0	110.9	L54 T55 P56 V109 Q116 G117 M118 A120	L54-V114 HydrophobicContact CB-CG2 3.72Å; L54-V114 HydrophobicContact CD1-CG2 4.47Å; T55-V114 WeakPolarHBondContact O-CG1 3.33Å; P56-V114 HydrophobicContact CG-CG1 4.4Å; V109-V114 HydrophobicContact CG1-CG2 4.15Å; V109-V114 PolarHBondContact O-N 3.5Å; V114-Q116 PolarHBondContact O-N 3.44Å; V114-G117 PolarHBondContact O-N 3.05Å; V114-M118 WeakPolarHBondContact CA-O 3.39Å; V114-A120 HydrophobicContact CG2-CB 4.37Å
115	S	95.9	Very high	97.7	Very high	76 Å²	76	25 Å²	25	53%	0.531	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-57.2	-28.6	173.1	72.2	0	0	0	0	113.2	R110 E111 F113 G117	R110-S115 WeakPolarHBondContact O-CB 3.41Å; R110-S115 PolarHBondContact O-N 3.28Å; E111-S115 WeakPolarHBondContact O-CB 3.47Å; E111-S115 PolarHBondContact O-OG 3.42Å; F113-S115 VanDerWaalsContact C-N 3.34Å; F113-S115 PolarHBondContact O-N 2.85Å; S115-G117 VanDerWaalsContact C-N 3.33Å
116	Q	94.4	Very high	97.3	Very high	117 Å²	117	27.4 Å²	27.4	55%	0.547	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-87.9	-2	179.6	-58	-61.5	-44.2	0	0	112.7	N112 F113 V114 M118 W155	N112-Q116 WeakPolarHBondContact O-CG 3.42Å; F113-Q116 WeakPolarHBondContact O-CB 3.4Å; F113-Q116 PolarHBondContact O-N 3Å; F113-Q116 VanDerWaalsContact O-N 3.07Å; V114-Q116 PolarHBondContact O-N 3.44Å; Q116-M118 HydrophobicContact CB-CE 3.77Å; Q116-M118 HydrophobicContact CG-CE 4.33Å; Q116-W155 WeakPolarHBondContact O-CZ2 3.47Å
117	G	94.6	Very high	96.9	Very high	23 Å²	23	28.6 Å²	28.6	24%	0.237	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	7	179.9	0	0	0	0	0	115.2	F113 V114 S115	F113-G117 PolarHBondContact O-N 3.27Å; V114-G117 PolarHBondContact O-N 3.05Å; S115-G117 VanDerWaalsContact C-N 3.33Å
118	M	97.1	Very high	96.2	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	17%	0.167	C	C	.	.			trans	-78.6	144.5	172.2	-69	173.9	-99.6	0	0	110.7	F113 V114 Q116 L138 W155	F113-M118 HydrophobicContact CB-CB 4.24Å; F113-M118 HydrophobicContact CB-CE 4.29Å; F113-M118 HydrophobicContact CB-SD 4.43Å; F113-M118 HydrophobicContact CD1-CE 4.05Å; F113-M118 HydrophobicContact CD1-SD 4.36Å; F113-M118 WeakPolarHBondContact O-CB 3.36Å; F113-M118 PolarHBondContact O-N 2.96Å; F113-M118 VanDerWaalsContact O-N 3.13Å; V114-M118 WeakPolarHBondContact CA-O 3.39Å; Q116-M118 HydrophobicContact CB-CE 3.77Å; Q116-M118 HydrophobicContact CG-CE 4.33Å; M118-L138 HydrophobicContact SD-CB 4.42Å; M118-L138 HydrophobicContact SD-CD1 4.25Å; M118-W155 HydrophobicContact CB-CH2 4.39Å; M118-W155 HydrophobicContact CB-CZ3 4.43Å; M118-W155 HydrophobicContact CE-CD2 4.11Å; M118-W155 HydrophobicContact CE-CG 4.01Å; M118-W155 HydrophobicContact CG-CD2 3.61Å; M118-W155 HydrophobicContact CG-CE3 3.43Å; M118-W155 VanDerWaalsContact CG-CE3 3.43Å; M118-W155 HydrophobicContact CG-CG 4.43Å; M118-W155 HydrophobicContact CG-CH2 3.59Å; M118-W155 HydrophobicContact CG-CZ2 3.77Å; M118-W155 HydrophobicContact CG-CZ3 3.42Å; M118-W155 VanDerWaalsContact CG-CZ3 3.42Å; M118-W155 HydrophobicContact SD-CD2 3.95Å; M118-W155 HydrophobicContact SD-CE3 4.02Å; M118-W155 HydrophobicContact SD-CG 4.2Å
119	I	98.3	Very high	95.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.			trans	-86.2	136.8	162.6	-62.1	164.6	0	0	0	107.9	I53 T55 C63 L69 L138 T139 V143 F148	I53-I119 HydrophobicContact CG2-CG2 3.7Å; T55-I119 HydrophobicContact CG2-CG1 4.32Å; T55-I119 HydrophobicContact CG2-CG2 4.07Å; C63-I119 HydrophobicContact CB-CD1 3.84Å; L69-I119 HydrophobicContact CD1-CD1 3.75Å; L69-I119 HydrophobicContact CD1-CG2 4.27Å; L69-I119 HydrophobicContact CD2-CG2 3.69Å; I119-L138 WeakPolarHBondContact O-CA 3.44Å; I119-T139 HydrophobicContact CB-CG2 3.81Å; I119-T139 HydrophobicContact CD1-CG2 4.41Å; I119-T139 PolarHBondContact N-OG1 3.35Å; I119-T139 PolarHBondContact O-N 3.17Å; I119-T139 VanDerWaalsContact O-N 3.11Å; I119-V143 HydrophobicContact CD1-CB 4.12Å; I119-V143 HydrophobicContact CD1-CG1 3.9Å; I119-V143 HydrophobicContact CD1-CG2 4.26Å; I119-V143 HydrophobicContact CG1-CG1 4.09Å; I119-F148 HydrophobicContact CD1-CE1 4.33Å; I119-F148 HydrophobicContact CD1-CZ 4.38Å
120	A	98.5	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.6	179.7	0	0	0	0	0	111.5	I53 L54 V109 V114 V122 I136 M137 L138	I53-A120 CarbonylContact C-O 3.54Å; I53-A120 WeakPolarHBondContact CA-O 3.29Å; L54-A120 PolarHBondContact N-O 3.08Å; L54-A120 PolarHBondContact O-N 3.23Å; V109-A120 HydrophobicContact CG1-CB 3.4Å; V109-A120 VanDerWaalsContact CG1-CB 3.4Å; V114-A120 HydrophobicContact CG2-CB 4.37Å; A120-V122 HydrophobicContact CB-CG2 4.48Å; A120-I136 HydrophobicContact CB-CG2 4.23Å; A120-M137 CarbonylContact C-O 3.54Å; A120-M137 WeakPolarHBondContact CA-O 3.31Å; A120-L138 HydrophobicContact CB-CD2 3.53Å
121	D	98.7	Very high	93.7	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	111.3	169.9	-168.7	2.5	0	0	0	108.6	I53 R66 W70 I136 M137	I53-D121 HydrophobicContact CG1-CB 3.95Å; I53-D121 WeakPolarHBondContact CG1-OD1 3.36Å; R66-D121 WeakPolarHBondContact CD-OD2 3.2Å; R66-D121 WeakPolarHBondContact CG-OD2 3.17Å; R66-D121 IonicContact CZ-OD1 2.73Å; R66-D121 IonicContact NE-OD1 2.84Å; R66-D121 PolarHBondContact NE-OD1 3.05Å; R66-D121 VanDerWaalsContact NE-OD1 3.13Å; R66-D121 IonicContact NE-OD2 3.27Å; R66-D121 PolarHBondContact NE-OD2 3.37Å; R66-D121 IonicContact NH2-OD1 3.44Å; R66-D121 PolarHBondContact NH2-OD1 3.23Å; R66-D121 VanDerWaalsContact NH2-OD1 3.08Å; W70-D121 HydrophobicContact CZ2-CB 3.69Å; W70-D121 PolarHBondContact NE1-OD2 3.06Å; D121-I136 CarbonylContact O-C 3.58Å; D121-I136 WeakPolarHBondContact O-CA 3.49Å; D121-M137 HydrophobicContact CB-CB 4.38Å; D121-M137 PolarHBondContact N-O 3.23Å; D121-M137 PolarHBondContact O-N 2.77Å
122	V	98.8	Very high	93.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.8	-173	-172.5	0	0	0	0	108.6	A51 V52 V105 V109 A120 F124 A134 H135 I136	A51-V122 CarbonylContact C-O 3.53Å; A51-V122 WeakPolarHBondContact CA-O 3.26Å; V52-V122 HydrophobicContact CG1-CB 4.19Å; V52-V122 PolarHBondContact N-O 3.45Å; V52-V122 PolarHBondContact O-N 2.91Å; V105-V122 HydrophobicContact CG1-CG1 4.04Å; V109-V122 HydrophobicContact CG1-CG2 4.14Å; V109-V122 HydrophobicContact CG2-CG2 4.09Å; A120-V122 HydrophobicContact CB-CG2 4.48Å; V122-F124 HydrophobicContact CB-CE2 4.36Å; V122-F124 HydrophobicContact CG1-CD2 4.22Å; V122-F124 HydrophobicContact CG1-CE1 4.38Å; V122-F124 HydrophobicContact CG1-CE2 3.62Å; V122-F124 HydrophobicContact CG1-CZ 3.72Å; V122-A134 HydrophobicContact CG1-CB 4.47Å; V122-H135 CarbonylContact C-O 3.58Å; V122-H135 WeakPolarHBondContact CA-O 3.34Å; V122-I136 HydrophobicContact CG1-CG1 4.16Å; V122-I136 HydrophobicContact CG2-CG1 4.27Å; V122-I136 HydrophobicContact CG2-CG2 4.34Å
123	A	98.4	Very high	93.4	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.025	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.5	172	0	0	0	0	0	110.5	R26 E50 A51 A134 H135	R26-A123 HydrophobicContact CB-CB 4.07Å; R26-A123 VanDerWaalsContact O-CB 3.22Å; R26-A123 WeakPolarHBondContact O-CB 3.3Å; E50-A123 WeakPolarHBondContact O-CA 3.06Å; A51-A123 HydrophobicContact CB-CB 4.01Å; A123-A134 WeakPolarHBondContact O-CA 3.4Å; A123-H135 PolarHBondContact N-O 2.69Å; A123-H135 PolarHBondContact O-N 2.97Å
124	F	98.2	Very high	93.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.7	179.9	-65.6	-88.2	0	0	0	110.2	A49 E50 V52 I92 R102 V105 L106 V122 M127 A134	A49-F124 HydrophobicContact CB-CB 4.42Å; A49-F124 PolarHBondContact N-O 3.35Å; E50-F124 HydrophobicContact CB-CD2 4.29Å; E50-F124 PolarHBondContact O-N 3.45Å; V52-F124 HydrophobicContact CG1-CE2 4.18Å; I92-F124 HydrophobicContact CD1-CD1 4.1Å; I92-F124 HydrophobicContact CD1-CE1 4.49Å; R102-F124 HydrophobicContact CG-CE1 4.41Å; R102-F124 HydrophobicContact CG-CE2 4.32Å; R102-F124 HydrophobicContact CG-CZ 4.02Å; V105-F124 HydrophobicContact CB-CE1 3.64Å; V105-F124 HydrophobicContact CB-CZ 3.99Å; V105-F124 HydrophobicContact CG1-CE1 3.79Å; V105-F124 HydrophobicContact CG1-CZ 3.93Å; V105-F124 HydrophobicContact CG2-CE1 3.9Å; L106-F124 HydrophobicContact CD2-CE2 4.17Å; L106-F124 HydrophobicContact CD2-CZ 3.94Å; L106-F124 HydrophobicContact CG-CZ 4.17Å; V122-F124 HydrophobicContact CB-CE2 4.36Å; V122-F124 HydrophobicContact CG1-CD2 4.22Å; V122-F124 HydrophobicContact CG1-CE1 4.38Å; V122-F124 HydrophobicContact CG1-CE2 3.62Å; V122-F124 HydrophobicContact CG1-CZ 3.72Å; F124-M127 HydrophobicContact CB-CG 3.97Å; F124-M127 HydrophobicContact CB-SD 4.03Å; F124-M127 HydrophobicContact CD1-CE 4.35Å; F124-M127 HydrophobicContact CD1-SD 4.01Å; F124-M127 HydrophobicContact CG-SD 4.49Å; F124-A134 HydrophobicContact CD1-CB 4.29Å; F124-A134 HydrophobicContact CE1-CB 4.46Å
125	H	96	Very high	93.4	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138	-174.4	-73.8	-139	0	0	0	110.2	R26 G47 M127 P132 H133 H135	R26-H125 PolarHBondContact O-CE1 3.49Å; R26-H125 PolarHBondContact O-NE2 3.25Å; G47-H125 CarbonylContact O-C 3.6Å; G47-H125 WeakPolarHBondContact O-CA 3.38Å; H125-M127 VanDerWaalsContact C-N 3.27Å; H125-M127 PolarHBondContact O-N 3.14Å; H125-P132 WeakPolarHBondContact O-CA 3.36Å; H125-H133 WeakPolarHBondContact CB-CE1 3.36Å; H125-H133 WeakPolarHBondContact CB-NE2 3.32Å; H125-H133 AromaticContact CG-NE2 3.86Å; H125-H133 PolarHBondContact N-O 3.49Å; H125-H133 AromaticContact ND1-NE2 3.91Å; H125-H133 PolarHBondContact O-N 2.82Å; H125-H135 AromaticContact CD2-CD2 3.98Å; H125-H135 AromaticContact CE1-CD2 3.86Å; H125-H135 AromaticContact NE2-CD2 3.84Å
126	H	91.3	Very high	93.6	Very high	51 Å²	51	35 Å²	35	24%	0.236	19%	0.186	C	C	.	.			trans	55	37.1	170.8	-59.1	-35.7	0	0	0	114.5	G47 D128 K129 P132 H133	G47-H126 VanDerWaalsContact CA-CE1 3.49Å; G47-H126 WeakPolarHBondContact CA-CE1 3.24Å; G47-H126 WeakPolarHBondContact CA-ND1 3.26Å; G47-H126 PolarHBondContact O-N 3.44Å; H126-D128 PolarHBondContact O-N 3.2Å; H126-K129 HydrophobicContact CB-CB 4.16Å; H126-K129 HydrophobicContact CB-CG 4.46Å; H126-K129 PolarHBondContact O-N 3.27Å; H126-P132 WeakPolarHBondContact O-CA 3.39Å; H126-H133 AromaticContact CD2-CE1 3.54Å
127	M	89.3	Confident	93.8	Very high	26 Å²	26	29.6 Å²	29.6	13%	0.128	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.8	179.3	-62.2	-61.2	-69.8	0	0	113.9	A49 I92 Q98 A101 F124 H125 P132	A49-M127 HydrophobicContact CB-CB 4.06Å; A49-M127 HydrophobicContact CB-CG 3.64Å; I92-M127 HydrophobicContact CD1-CE 4.21Å; I92-M127 HydrophobicContact CD1-SD 3.67Å; Q98-M127 HydrophobicContact CG-CB 4.38Å; Q98-M127 PolarHBondContact NE2-O 3.42Å; A101-M127 HydrophobicContact CB-CE 3.68Å; F124-M127 HydrophobicContact CB-CG 3.97Å; F124-M127 HydrophobicContact CB-SD 4.03Å; F124-M127 HydrophobicContact CD1-CE 4.35Å; F124-M127 HydrophobicContact CD1-SD 4.01Å; F124-M127 HydrophobicContact CG-SD 4.49Å; H125-M127 VanDerWaalsContact C-N 3.27Å; H125-M127 PolarHBondContact O-N 3.14Å; M127-P132 HydrophobicContact SD-CB 4.26Å
128	D	82.8	Confident	93.9	Very high	115 Å²	115	28.5 Å²	28.5	62%	0.615	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	3.4	179.7	65	-36.7	0	0	0	113.4	H126	H126-D128 PolarHBondContact O-N 3.2Å
129	K	78.5	Confident	94	Very high	112 Å²	112	28.5 Å²	28.5	49%	0.487	15%	0.149	S	C	.	.	S	Bend	trans	-123.4	-177.2	-175.7	-51.8	-171.5	179.3	-172.7	0	112	H126 N131 P132	H126-K129 HydrophobicContact CB-CB 4.16Å; H126-K129 HydrophobicContact CB-CG 4.46Å; H126-K129 PolarHBondContact O-N 3.27Å; K129-N131 PolarHBondContact O-N 2.93Å; K129-P132 WeakPolarHBondContact O-CD 3.48Å
130	T	77.3	Confident	93.9	Very high	133 Å²	133	28.7 Å²	28.7	82%	0.816	15%	0.15	S	C	*	.	S	Bend	trans	-70.1	-10	-175.8	54.5	0	0	0	0	115.4
131	N	87.8	Confident	93.7	Very high	93 Å²	93	31.3 Å²	31.3	50%	0.497	16%	0.16	S	C	.	.			trans	-134.8	64.3	-179	-173.7	40.3	0	0	0	111.8	K129 H133	K129-N131 PolarHBondContact O-N 2.93Å; N131-H133 PolarHBondContact O-N 3.11Å; N131-H133 PolarHBondContact O-ND1 3.11Å
132	P	93.8	Very high	93.5	Very high	9 Å²	9	32.8 Å²	32.8	6%	0.058	17%	0.174	C	C	.	.			trans	-68.1	131.1	175.8	27.9	-27.3	0	0	0	109.5	I92 H94 H125 H126 M127 K129	I92-P132 HydrophobicContact CB-CB 4.16Å; I92-P132 HydrophobicContact CB-CG 4.34Å; I92-P132 PolarHBondContact N-O 3.42Å; I92-P132 WeakPolarHBondContact O-CG 3.48Å; H94-P132 HydrophobicContact CB-CG 3.78Å; H125-P132 WeakPolarHBondContact O-CA 3.36Å; H126-P132 WeakPolarHBondContact O-CA 3.39Å; M127-P132 HydrophobicContact SD-CB 4.26Å; K129-P132 WeakPolarHBondContact O-CD 3.48Å
133	H	96.5	Very high	93.3	Very high	22 Å²	22	33.6 Å²	33.6	10%	0.102	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	161	-177.3	61	-76.6	0	0	0	111.2	L90 H125 H126 N131 H135	L90-H133 CarbonylContact O-C 3.46Å; L90-H133 VanDerWaalsContact O-CA 3.22Å; L90-H133 WeakPolarHBondContact O-CA 3.33Å; L90-H133 WeakPolarHBondContact O-CB 3.41Å; H125-H133 WeakPolarHBondContact CB-CE1 3.36Å; H125-H133 WeakPolarHBondContact CB-NE2 3.32Å; H125-H133 AromaticContact CG-NE2 3.86Å; H125-H133 PolarHBondContact N-O 3.49Å; H125-H133 AromaticContact ND1-NE2 3.91Å; H125-H133 PolarHBondContact O-N 2.82Å; H126-H133 AromaticContact CD2-CE1 3.54Å; N131-H133 PolarHBondContact O-N 3.11Å; N131-H133 PolarHBondContact O-ND1 3.11Å; H133-H135 AromaticContact CD2-CD2 3.92Å; H133-H135 AromaticContact CD2-NE2 3.58Å; H133-H135 AromaticContact NE2-NE2 3.58Å
134	A	97.9	Very high	92.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.9	175.7	0	0	0	0	0	111.7	E89 L90 I92 V105 V122 A123 F124	E89-A134 WeakPolarHBondContact CA-O 3.17Å; L90-A134 HydrophobicContact CD1-CB 3.89Å; L90-A134 HydrophobicContact CG-CB 4.3Å; L90-A134 PolarHBondContact N-O 3.46Å; L90-A134 PolarHBondContact O-N 3.34Å; I92-A134 HydrophobicContact CD1-CB 4.25Å; V105-A134 HydrophobicContact CG1-CB 4.04Å; V122-A134 HydrophobicContact CG1-CB 4.47Å; A123-A134 WeakPolarHBondContact O-CA 3.4Å; F124-A134 HydrophobicContact CD1-CB 4.29Å; F124-A134 HydrophobicContact CE1-CB 4.46Å
135	H	98.3	Very high	92.5	Very high	18 Å²	18	40.2 Å²	40.2	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.4	166.1	-67	-88.1	0	0	0	109.3	R26 E87 E89 V122 A123 H125 H133	R26-H135 HydrophobicContact CB-CB 4.31Å; R26-H135 HydrophobicContact CG-CB 3.9Å; E87-H135 IonicContact OE1-CE1 3.73Å; E87-H135 IonicContact OE1-CG 3.27Å; E87-H135 IonicContact OE1-ND1 3.63Å; E87-H135 PolarHBondContact OE1-ND1 3.33Å; E89-H135 VanDerWaalsContact CD-CE1 3.48Å; E89-H135 IonicContact OE1-CE1 3.32Å; E89-H135 IonicContact OE2-CE1 3.34Å; E89-H135 IonicContact OE2-ND1 3.89Å; V122-H135 CarbonylContact C-O 3.58Å; V122-H135 WeakPolarHBondContact CA-O 3.34Å; A123-H135 PolarHBondContact N-O 2.69Å; A123-H135 PolarHBondContact O-N 2.97Å; H125-H135 AromaticContact CD2-CD2 3.98Å; H125-H135 AromaticContact CE1-CD2 3.86Å; H125-H135 AromaticContact NE2-CD2 3.84Å; H133-H135 AromaticContact CD2-CD2 3.92Å; H133-H135 AromaticContact CD2-NE2 3.58Å; H133-H135 AromaticContact NE2-NE2 3.58Å
136	I	98.6	Very high	92.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	109.1	-179.2	-56.6	156.3	0	0	0	108	E87 I88 L90 F108 V109 A120 D121 V122 L138	E87-I136 CarbonylContact C-O 3.48Å; E87-I136 VanDerWaalsContact CA-O 3.29Å; E87-I136 WeakPolarHBondContact CA-O 3.43Å; I88-I136 HydrophobicContact CB-CB 4.21Å; I88-I136 HydrophobicContact CB-CD1 4.4Å; I88-I136 HydrophobicContact CG2-CD1 4.4Å; I88-I136 PolarHBondContact N-O 3.49Å; I88-I136 PolarHBondContact O-N 3.31Å; L90-I136 HydrophobicContact CD2-CD1 3.67Å; L90-I136 HydrophobicContact CG-CD1 4.36Å; F108-I136 HydrophobicContact CD1-CD1 4.47Å; F108-I136 HydrophobicContact CE1-CD1 4.25Å; V109-I136 HydrophobicContact CG2-CD1 3.62Å; V109-I136 HydrophobicContact CG2-CG1 4Å; V109-I136 HydrophobicContact CG2-CG2 4.16Å; A120-I136 HydrophobicContact CB-CG2 4.23Å; D121-I136 CarbonylContact O-C 3.58Å; D121-I136 WeakPolarHBondContact O-CA 3.49Å; V122-I136 HydrophobicContact CG1-CG1 4.16Å; V122-I136 HydrophobicContact CG2-CG1 4.27Å; V122-I136 HydrophobicContact CG2-CG2 4.34Å; I136-L138 HydrophobicContact CG2-CD2 3.68Å; I136-L138 HydrophobicContact CG2-CG 4.06Å
137	M	98.6	Very high	92.1	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.8	172.6	-74.4	-174	53.5	0	0	110.5	I11 A23 W70 A85 R86 A120 D121	I11-M137 HydrophobicContact CD1-CE 3.55Å; I11-M137 HydrophobicContact CD1-CG 4.09Å; I11-M137 HydrophobicContact CD1-SD 3.81Å; A23-M137 HydrophobicContact CB-CE 4.45Å; A23-M137 HydrophobicContact CB-SD 4.33Å; W70-M137 HydrophobicContact CD2-CE 4.12Å; W70-M137 HydrophobicContact CE3-CE 4.04Å; W70-M137 HydrophobicContact CH2-CB 3.63Å; W70-M137 HydrophobicContact CH2-CE 3.74Å; W70-M137 HydrophobicContact CZ2-CB 3.48Å; W70-M137 VanDerWaalsContact CZ2-CB 3.48Å; W70-M137 HydrophobicContact CZ2-CE 3.8Å; W70-M137 HydrophobicContact CZ3-CE 3.86Å; A85-M137 HydrophobicContact CB-CE 3.93Å; R86-M137 CarbonylContact O-C 3.56Å; R86-M137 WeakPolarHBondContact O-CA 3.4Å; A120-M137 CarbonylContact C-O 3.54Å; A120-M137 WeakPolarHBondContact CA-O 3.31Å; D121-M137 HydrophobicContact CB-CB 4.38Å; D121-M137 PolarHBondContact N-O 3.23Å; D121-M137 PolarHBondContact O-N 2.77Å
138	L	98.4	Very high	92.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.5	-176	-58.5	175.3	0	0	0	110.8	A85 R86 I88 F113 M118 I119 A120 I136	A85-L138 WeakPolarHBondContact CA-O 3.49Å; R86-L138 HydrophobicContact CB-CB 4.22Å; R86-L138 HydrophobicContact CG-CD1 4.38Å; R86-L138 PolarHBondContact N-O 3.26Å; R86-L138 PolarHBondContact O-N 2.86Å; I88-L138 HydrophobicContact CD1-CD1 3.71Å; I88-L138 HydrophobicContact CG1-CD1 4.16Å; F113-L138 HydrophobicContact CB-CD1 4.4Å; F113-L138 HydrophobicContact CB-CD2 3.72Å; F113-L138 HydrophobicContact CD1-CD1 3.5Å; F113-L138 HydrophobicContact CD1-CD2 4.34Å; F113-L138 HydrophobicContact CD2-CD1 4.12Å; F113-L138 HydrophobicContact CD2-CD2 3.88Å; F113-L138 HydrophobicContact CE1-CD1 3.77Å; F113-L138 HydrophobicContact CE2-CD1 4.36Å; F113-L138 HydrophobicContact CG-CD1 3.72Å; F113-L138 HydrophobicContact CG-CD2 3.7Å; F113-L138 HydrophobicContact CG-CG 4.38Å; F113-L138 HydrophobicContact CZ-CD1 4.23Å; M118-L138 HydrophobicContact SD-CB 4.42Å; M118-L138 HydrophobicContact SD-CD1 4.25Å; I119-L138 WeakPolarHBondContact O-CA 3.44Å; A120-L138 HydrophobicContact CB-CD2 3.53Å; I136-L138 HydrophobicContact CG2-CD2 3.68Å; I136-L138 HydrophobicContact CG2-CG 4.06Å
139	T	97.7	Very high	92.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	146	171.9	54.2	0	0	0	0	111.7	L69 W70 V73 I119 F148	L69-T139 HydrophobicContact CD1-CG2 4.39Å; W70-T139 HydrophobicContact CH2-CG2 4.45Å; W70-T139 HydrophobicContact CZ3-CG2 4.45Å; V73-T139 HydrophobicContact CG2-CG2 4.23Å; I119-T139 HydrophobicContact CB-CG2 3.81Å; I119-T139 HydrophobicContact CD1-CG2 4.41Å; I119-T139 PolarHBondContact N-OG1 3.35Å; I119-T139 PolarHBondContact O-N 3.17Å; I119-T139 VanDerWaalsContact O-N 3.11Å; T139-F148 HydrophobicContact CG2-CE1 3.81Å; T139-F148 HydrophobicContact CG2-CZ 3.77Å
140	T	95.9	Very high	93.5	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.031	25%	0.253	C	S	.	.	S	Bend	trans	-101.6	-0.1	178.7	61.2	0	0	0	0	114.1	L84 K151 V152	L84-T140 PolarHBondContact O-OG1 2.8Å; T140-K151 WeakPolarHBondContact O-CA 3.33Å; T140-V152 PolarHBondContact O-N 3.49Å
141	R	95.6	Very high	94.3	Very high	55 Å²	55	34.5 Å²	34.5	21%	0.208	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	145.3	177	-70.5	179.8	176.3	-98.7	-1.6	110.1	A76 E77 F148 G149 G150 K151	A76-R141 PolarHBondContact O-NH2 3.39Å; E77-R141 IonicContact OE1-CZ 2.66Å; E77-R141 IonicContact OE1-NE 3.2Å; E77-R141 PolarHBondContact OE1-NE 3.43Å; E77-R141 IonicContact OE1-NH2 3.64Å; E77-R141 PolarHBondContact OE1-NH2 3.1Å; R141-F148 HydrophobicContact CB-CB 4.37Å; R141-F148 HydrophobicContact CB-CD1 3.83Å; R141-F148 HydrophobicContact CB-CG 4.41Å; R141-G149 WeakPolarHBondContact CD-O 3.45Å; R141-G149 PolarHBondContact NH1-O 3.49Å; R141-G150 WeakPolarHBondContact CA-O 3.38Å; R141-K151 HydrophobicContact CG-CG 3.71Å
142	A	94.2	Very high	94.5	Very high	38 Å²	38	32 Å²	32	31%	0.314	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	144.8	167.1	0	0	0	0	0	109.8	G149 G150 V152	A142-G149 PolarHBondContact O-N 3.33Å; A142-G150 PolarHBondContact N-O 3.29Å; A142-G150 VanDerWaalsContact N-O 3.15Å; A142-V152 HydrophobicContact CB-CG2 3.86Å
143	V	94.2	Very high	94.3	Very high	16 Å²	16	41.7 Å²	41.7	10%	0.097	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130.9	173.4	66.1	0	0	0	0	109.2	P56 A59 I119 F148	P56-V143 HydrophobicContact CG-CG1 4.47Å; A59-V143 HydrophobicContact CB-CG1 3.99Å; I119-V143 HydrophobicContact CD1-CB 4.12Å; I119-V143 HydrophobicContact CD1-CG1 3.9Å; I119-V143 HydrophobicContact CD1-CG2 4.26Å; I119-V143 HydrophobicContact CG1-CG1 4.09Å; V143-F148 HydrophobicContact CB-CD1 4.3Å; V143-F148 HydrophobicContact CB-CE1 4.33Å
144	G	90.9	Very high	94.1	Very high	22 Å²	22	46.6 Å²	46.6	23%	0.227	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-175.6	171.9	0	0	0	0	0	111.4	P60 A146 G147	P60-G144 WeakPolarHBondContact CD-O 3.49Å; P60-G144 WeakPolarHBondContact CG-O 3.44Å; G144-A146 PolarHBondContact O-N 3.3Å; G144-A146 VanDerWaalsContact O-N 3.15Å; G144-G147 PolarHBondContact N-O 2.96Å; G144-G147 WeakPolarHBondContact O-CA 3.48Å; G144-G147 PolarHBondContact O-N 2.92Å
145	P	88.4	Confident	93.8	Very high	123 Å²	123	47.5 Å²	47.5	80%	0.799	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.5	-179.2	-26.2	34.9	0	0	0	113.9	G147	P145-G147 VanDerWaalsContact C-N 3.32Å
146	A	88.7	Confident	93.3	Very high	113 Å²	113	49.2 Å²	49.2	93%	0.934	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	2.8	176.7	0	0	0	0	0	114	G144	G144-A146 PolarHBondContact O-N 3.3Å; G144-A146 VanDerWaalsContact O-N 3.15Å
147	G	92.1	Very high	92.8	Very high	8 Å²	8	53 Å²	53	8%	0.082	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	101.4	-151.7	-177.1	0	0	0	0	0	114.1	G144 P145 G149	G144-G147 PolarHBondContact N-O 2.96Å; G144-G147 WeakPolarHBondContact O-CA 3.48Å; G144-G147 PolarHBondContact O-N 2.92Å; P145-G147 VanDerWaalsContact C-N 3.32Å; G147-G149 PolarHBondContact O-N 3.45Å
148	F	95	Very high	92.1	Very high	40 Å²	40	63.5 Å²	63.5	18%	0.175	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	124.2	-173.6	-75.5	-59.9	0	0	0	113	W62 L69 A72 V73 A76 I119 T139 R141 V143	W62-F148 HydrophobicContact CH2-CD2 4.16Å; W62-F148 AromaticContact CH2-CE2 3.97Å; W62-F148 HydrophobicContact CH2-CE2 3.97Å; W62-F148 HydrophobicContact CZ3-CE2 4.37Å; L69-F148 HydrophobicContact CD1-CE2 4.21Å; L69-F148 HydrophobicContact CD1-CZ 3.68Å; A72-F148 HydrophobicContact CB-CD2 4.07Å; A72-F148 HydrophobicContact CB-CE2 3.9Å; V73-F148 HydrophobicContact CB-CE2 4.44Å; V73-F148 HydrophobicContact CG2-CD2 4.38Å; V73-F148 HydrophobicContact CG2-CE1 4.41Å; V73-F148 HydrophobicContact CG2-CE2 3.47Å; V73-F148 VanDerWaalsContact CG2-CE2 3.47Å; V73-F148 HydrophobicContact CG2-CZ 3.49Å; V73-F148 VanDerWaalsContact CG2-CZ 3.49Å; A76-F148 HydrophobicContact CB-CB 4.36Å; I119-F148 HydrophobicContact CD1-CE1 4.33Å; I119-F148 HydrophobicContact CD1-CZ 4.38Å; T139-F148 HydrophobicContact CG2-CE1 3.81Å; T139-F148 HydrophobicContact CG2-CZ 3.77Å; R141-F148 HydrophobicContact CB-CB 4.37Å; R141-F148 HydrophobicContact CB-CD1 3.83Å; R141-F148 HydrophobicContact CB-CG 4.41Å; V143-F148 HydrophobicContact CB-CD1 4.3Å; V143-F148 HydrophobicContact CB-CE1 4.33Å
149	G	92	Very high	91.6	Very high	36 Å²	36	67.6 Å²	67.6	37%	0.371	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-143.3	173.6	0	0	0	0	0	113.5	R141 A142 G147	R141-G149 WeakPolarHBondContact CD-O 3.45Å; R141-G149 PolarHBondContact NH1-O 3.49Å; A142-G149 PolarHBondContact O-N 3.33Å; G147-G149 PolarHBondContact O-N 3.45Å
150	G	92.5	Very high	91.3	Very high	49 Å²	49	70.1 Å²	70.1	51%	0.505	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	158.3	177.8	0	0	0	0	0	113.5	R141 A142	R141-G150 WeakPolarHBondContact CA-O 3.38Å; A142-G150 PolarHBondContact N-O 3.29Å; A142-G150 VanDerWaalsContact N-O 3.15Å
151	K	92.7	Very high	91.1	Very high	73 Å²	73	70.9 Å²	70.9	32%	0.317	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	132.4	166.7	-75.8	-163.6	-179.8	-172.4	0	109.9	E77 Q83 T140 R141	E77-K151 VanDerWaalsContact CD-NZ 3.27Å; E77-K151 WeakPolarHBondContact OE1-CE 3.47Å; E77-K151 IonicContact OE1-NZ 3.5Å; E77-K151 PolarHBondContact OE1-NZ 3.05Å; E77-K151 WeakPolarHBondContact OE2-CE 3.15Å; E77-K151 IonicContact OE2-NZ 3.83Å; E77-K151 PolarHBondContact OE2-NZ 3.43Å; Q83-K151 PolarHBondContact O-NZ 3.09Å; T140-K151 WeakPolarHBondContact O-CA 3.33Å; R141-K151 HydrophobicContact CG-CG 3.71Å
152	V	92.5	Very high	91	Very high	40 Å²	40	71.3 Å²	71.3	24%	0.242	40%	0.401	C	S	.	.			trans	-90	107.2	173.4	-174.3	0	0	0	0	107.5	T140 A142 D154 W155	T140-V152 PolarHBondContact O-N 3.49Å; A142-V152 HydrophobicContact CB-CG2 3.86Å; V152-D154 VanDerWaalsContact C-N 3.34Å; V152-W155 HydrophobicContact CB-CD2 3.56Å; V152-W155 HydrophobicContact CB-CE3 3.81Å; V152-W155 HydrophobicContact CB-CG 3.95Å; V152-W155 HydrophobicContact CB-CH2 4.36Å; V152-W155 HydrophobicContact CB-CZ2 4.12Å; V152-W155 HydrophobicContact CB-CZ3 4.2Å; V152-W155 HydrophobicContact CG1-CD2 3.85Å; V152-W155 HydrophobicContact CG1-CG 3.83Å; V152-W155 HydrophobicContact CG1-CZ2 4.37Å; V152-W155 HydrophobicContact CG2-CD2 4.15Å; V152-W155 HydrophobicContact CG2-CE3 4.2Å; V152-W155 HydrophobicContact CG2-CH2 3.87Å; V152-W155 HydrophobicContact CG2-CZ2 3.79Å; V152-W155 HydrophobicContact CG2-CZ3 4.07Å
153	R	90.8	Very high	91	Very high	214 Å²	214	73.3 Å²	73.3	81%	0.808	41%	0.409	S	S	*	.	S	Bend	trans	-70.3	-33.1	-173.8	-68.4	-173.7	178.8	-173.3	1.5	112.5	W155 N156	R153-W155 PolarHBondContact O-N 2.93Å; R153-N156 WeakPolarHBondContact O-CB 3.47Å; R153-N156 PolarHBondContact O-N 3.13Å
154	D	91.4	Very high	91.1	Very high	124 Å²	124	73.3 Å²	73.3	66%	0.663	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-63	-33.1	-177	-57.9	-13.9	0	0	0	111.5	V152 N156 D157 H160	V152-D154 VanDerWaalsContact C-N 3.34Å; D154-N156 PolarHBondContact O-N 3.49Å; D154-D157 WeakPolarHBondContact O-CB 3.28Å; D154-D157 PolarHBondContact O-N 2.86Å; D154-H160 PolarHBondContact O-CD2 3.37Å; D154-H160 VanDerWaalsContact O-CD2 3.3Å; D154-H160 PolarHBondContact O-NE2 3.41Å; D154-H160 VanDerWaalsContact O-NE2 3.08Å
155	W	92.1	Very high	91.5	Very high	20 Å²	20	76 Å²	76	8%	0.076	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-58.6	-16	172.6	-63.9	-11.7	0	0	0	113.8	R86 Q116 M118 V152 R153	R86-W155 PolarHBondContact NH1-O 2.93Å; R86-W155 PolarHBondContact NH2-O 3.21Å; Q116-W155 WeakPolarHBondContact O-CZ2 3.47Å; M118-W155 HydrophobicContact CB-CH2 4.39Å; M118-W155 HydrophobicContact CB-CZ3 4.43Å; M118-W155 HydrophobicContact CE-CD2 4.11Å; M118-W155 HydrophobicContact CE-CG 4.01Å; M118-W155 HydrophobicContact CG-CD2 3.61Å; M118-W155 HydrophobicContact CG-CE3 3.43Å; M118-W155 VanDerWaalsContact CG-CE3 3.43Å; M118-W155 HydrophobicContact CG-CG 4.43Å; M118-W155 HydrophobicContact CG-CH2 3.59Å; M118-W155 HydrophobicContact CG-CZ2 3.77Å; M118-W155 HydrophobicContact CG-CZ3 3.42Å; M118-W155 VanDerWaalsContact CG-CZ3 3.42Å; M118-W155 HydrophobicContact SD-CD2 3.95Å; M118-W155 HydrophobicContact SD-CE3 4.02Å; M118-W155 HydrophobicContact SD-CG 4.2Å; V152-W155 HydrophobicContact CB-CD2 3.56Å; V152-W155 HydrophobicContact CB-CE3 3.81Å; V152-W155 HydrophobicContact CB-CG 3.95Å; V152-W155 HydrophobicContact CB-CH2 4.36Å; V152-W155 HydrophobicContact CB-CZ2 4.12Å; V152-W155 HydrophobicContact CB-CZ3 4.2Å; V152-W155 HydrophobicContact CG1-CD2 3.85Å; V152-W155 HydrophobicContact CG1-CG 3.83Å; V152-W155 HydrophobicContact CG1-CZ2 4.37Å; V152-W155 HydrophobicContact CG2-CD2 4.15Å; V152-W155 HydrophobicContact CG2-CE3 4.2Å; V152-W155 HydrophobicContact CG2-CH2 3.87Å; V152-W155 HydrophobicContact CG2-CZ2 3.79Å; V152-W155 HydrophobicContact CG2-CZ3 4.07Å; R153-W155 PolarHBondContact O-N 2.93Å
156	N	87.3	Confident	91.8	Very high	53 Å²	53	71.4 Å²	71.4	28%	0.283	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-100.5	8.2	176.3	-68.3	-7.3	0	0	0	113.8	Q83 R86 R153 D154 R158	Q83-N156 PolarHBondContact OE1-ND2 3.41Å; R86-N156 PolarHBondContact NH2-OD1 3.07Å; R153-N156 WeakPolarHBondContact O-CB 3.47Å; R153-N156 PolarHBondContact O-N 3.13Å; D154-N156 PolarHBondContact O-N 3.49Å; N156-R158 PolarHBondContact O-N 3.45Å
157	D	88.1	Confident	92.3	Very high	79 Å²	79	66.6 Å²	66.6	42%	0.422	34%	0.342	S	S	.	.			trans	-60.6	133.6	171.3	-169.3	-8.9	0	0	0	110.2	D154 T159 H160	D154-D157 WeakPolarHBondContact O-CB 3.28Å; D154-D157 PolarHBondContact O-N 2.86Å; D157-T159 PolarHBondContact O-N 2.98Å; D157-T159 WeakPolarHBondContact OD1-CG2 3.29Å; D157-T159 PolarHBondContact OD1-N 2.78Å; D157-T159 PolarHBondContact OD1-OG1 3.42Å; D157-T159 PolarHBondContact OD2-OG1 3.49Å; D157-H160 PolarHBondContact O-N 2.84Å
158	R	83.8	Confident	92.6	Very high	225 Å²	225	66.2 Å²	66.2	85%	0.849	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.5	179.3	-62.1	-177.4	71.5	-173	1.5	111.8	N156 H160 A161	N156-R158 PolarHBondContact O-N 3.45Å; R158-H160 PolarHBondContact O-N 3.05Å; R158-A161 WeakPolarHBondContact O-CB 3.05Å; R158-A161 PolarHBondContact O-N 2.95Å
159	T	88.1	Confident	92.7	Very high	85 Å²	85	64.5 Å²	64.5	52%	0.521	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-34	177.2	60.3	0	0	0	0	112.1	D157 A161 E162	D157-T159 PolarHBondContact O-N 2.98Å; D157-T159 WeakPolarHBondContact OD1-CG2 3.29Å; D157-T159 PolarHBondContact OD1-N 2.78Å; D157-T159 PolarHBondContact OD1-OG1 3.42Å; D157-T159 PolarHBondContact OD2-OG1 3.49Å; T159-A161 PolarHBondContact O-N 3.38Å; T159-A161 VanDerWaalsContact O-N 3.14Å; T159-E162 PolarHBondContact O-N 2.66Å
160	H	91.8	Very high	92.9	Very high	55 Å²	55	67 Å²	67	26%	0.255	34%	0.336	S	S	.	.	H	α-helix	trans	-60	-25.9	177.7	-67.1	-31.4	0	0	0	113.8	D154 D157 R158 E162 T163 W164	D154-H160 PolarHBondContact O-CD2 3.37Å; D154-H160 VanDerWaalsContact O-CD2 3.3Å; D154-H160 PolarHBondContact O-NE2 3.41Å; D154-H160 VanDerWaalsContact O-NE2 3.08Å; D157-H160 PolarHBondContact O-N 2.84Å; R158-H160 PolarHBondContact O-N 3.05Å; H160-E162 VanDerWaalsContact C-N 3.28Å; H160-E162 PolarHBondContact O-N 3.43Å; H160-T163 PolarHBondContact O-N 3.08Å; H160-W164 HydrophobicContact CB-CD2 4.04Å; H160-W164 HydrophobicContact CB-CE3 4.25Å; H160-W164 HydrophobicContact CB-CH2 3.74Å; H160-W164 HydrophobicContact CB-CZ2 3.52Å; H160-W164 HydrophobicContact CB-CZ3 4.11Å; H160-W164 AromaticContact CG-CZ2 3.94Å; H160-W164 VanDerWaalsContact O-CG 3.26Å; H160-W164 PolarHBondContact O-N 3.47Å
161	A	91.4	Very high	93.2	Very high	21 Å²	21	65.2 Å²	65.2	17%	0.174	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-40.8	-179.3	0	0	0	0	0	111.8	M8 R158 T159 R165	M8-A161 HydrophobicContact CE-CB 3.84Å; M8-A161 WeakPolarHBondContact CE-O 3.09Å; M8-A161 HydrophobicContact SD-CB 3.86Å; R158-A161 WeakPolarHBondContact O-CB 3.05Å; R158-A161 PolarHBondContact O-N 2.95Å; T159-A161 PolarHBondContact O-N 3.38Å; T159-A161 VanDerWaalsContact O-N 3.14Å; A161-R165 WeakPolarHBondContact O-CB 3.25Å; A161-R165 WeakPolarHBondContact O-CG 3.34Å; A161-R165 PolarHBondContact O-N 3.01Å
162	E	92.3	Very high	93.4	Very high	64 Å²	64	61.7 Å²	61.7	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-69.6	-40.2	177.3	-168.7	68.8	175.6	0	0	111.2	T159 H160 R165 A166 H187 R192	T159-E162 PolarHBondContact O-N 2.66Å; H160-E162 VanDerWaalsContact C-N 3.28Å; H160-E162 PolarHBondContact O-N 3.43Å; E162-R165 PolarHBondContact O-N 3.08Å; E162-A166 WeakPolarHBondContact O-CB 3.47Å; E162-A166 PolarHBondContact O-N 3.1Å; E162-H187 IonicContact OE1-CD2 2.83Å; E162-H187 IonicContact OE1-NE2 3.84Å; E162-H187 PolarHBondContact OE1-NE2 3.33Å; E162-R192 IonicContact OE1-CZ 3.75Å; E162-R192 IonicContact OE1-NH1 3.08Å; E162-R192 PolarHBondContact OE1-NH1 2.98Å; E162-R192 IonicContact OE1-NH2 3.57Å; E162-R192 PolarHBondContact OE1-NH2 3.33Å; E162-R192 IonicContact OE2-NH1 2.77Å
163	T	94.9	Very high	93.6	Very high	80 Å²	80	61.1 Å²	61.1	49%	0.491	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-48.3	178.6	-49.4	0	0	0	0	112.2	H160 R165 A166 S167	H160-T163 PolarHBondContact O-N 3.08Å; T163-R165 VanDerWaalsContact C-N 3.31Å; T163-R165 PolarHBondContact O-N 3.42Å; T163-A166 PolarHBondContact O-N 2.88Å; T163-S167 WeakPolarHBondContact O-CB 3.35Å; T163-S167 PolarHBondContact O-N 2.83Å
164	W	97.3	Very high	93.9	Very high	15 Å²	15	57.2 Å²	57.2	6%	0.057	28%	0.28	C	S	.	.	H	α-helix	trans	-67.8	-34	180	-60.4	-28.1	0	0	0	112.2	M8 I88 F108 F113 H160 W168	M8-W164 HydrophobicContact CE-CB 4.4Å; M8-W164 HydrophobicContact CE-CE3 4.16Å; M8-W164 HydrophobicContact SD-CE3 3.62Å; M8-W164 HydrophobicContact SD-CZ3 3.97Å; I88-W164 HydrophobicContact CD1-CE3 4.21Å; F108-W164 WeakPolarHBondContact CE2-O 3.41Å; F108-W164 HydrophobicContact CZ-CB 4.43Å; F113-W164 HydrophobicContact CD1-CZ2 4.43Å; F113-W164 AromaticContact CE1-CD1 3.98Å; F113-W164 AromaticContact CE1-CD2 3.74Å; F113-W164 HydrophobicContact CE1-CD2 3.74Å; F113-W164 AromaticContact CE1-CE2 3.59Å; F113-W164 HydrophobicContact CE1-CE3 4.27Å; F113-W164 AromaticContact CE1-CG 4Å; F113-W164 HydrophobicContact CE1-CG 4Å; F113-W164 HydrophobicContact CE1-CZ2 4.03Å; F113-W164 AromaticContact CE1-NE1 3.74Å; F113-W164 HydrophobicContact CZ-CD2 4.34Å; F113-W164 HydrophobicContact CZ-CG 4.27Å; H160-W164 HydrophobicContact CB-CD2 4.04Å; H160-W164 HydrophobicContact CB-CE3 4.25Å; H160-W164 HydrophobicContact CB-CH2 3.74Å; H160-W164 HydrophobicContact CB-CZ2 3.52Å; H160-W164 HydrophobicContact CB-CZ3 4.11Å; H160-W164 AromaticContact CG-CZ2 3.94Å; H160-W164 VanDerWaalsContact O-CG 3.26Å; H160-W164 PolarHBondContact O-N 3.47Å; W164-W168 WeakPolarHBondContact O-CB 3.39Å; W164-W168 PolarHBondContact O-N 3.38Å
165	R	97.5	Very high	94.1	Very high	80 Å²	80	51.9 Å²	51.9	30%	0.302	25%	0.253	S	S	.	.	H	α-helix	trans	-65.1	-47.5	174.5	-81	-168.2	-169.4	119.2	1.2	112.3	Y4 L6 M8 A161 E162 T163 W168 A169 H187	Y4-R165 WeakPolarHBondContact OH-CA 3.28Å; Y4-R165 WeakPolarHBondContact OH-CB 3.3Å; Y4-R165 WeakPolarHBondContact OH-CG 3.33Å; Y4-R165 PolarHBondContact OH-O 3.37Å; L6-R165 HydrophobicContact CB-CG 4.48Å; L6-R165 HydrophobicContact CD2-CG 4Å; M8-R165 HydrophobicContact CE-CG 3.9Å; A161-R165 WeakPolarHBondContact O-CB 3.25Å; A161-R165 WeakPolarHBondContact O-CG 3.34Å; A161-R165 PolarHBondContact O-N 3.01Å; E162-R165 PolarHBondContact O-N 3.08Å; T163-R165 VanDerWaalsContact C-N 3.31Å; T163-R165 PolarHBondContact O-N 3.42Å; R165-W168 PolarHBondContact O-N 2.98Å; R165-A169 PolarHBondContact O-N 3.06Å; R165-A169 VanDerWaalsContact O-N 3.14Å; R165-H187 HydrophobicContact CB-CB 3.94Å
166	A	96.6	Very high	94.2	Very high	26 Å²	26	51 Å²	51	22%	0.215	25%	0.25	C	C	.	.	H	α-helix	trans	-61.6	-48.8	175.1	0	0	0	0	0	111.4	E162 T163 W168 A169 D170	E162-A166 WeakPolarHBondContact O-CB 3.47Å; E162-A166 PolarHBondContact O-N 3.1Å; T163-A166 PolarHBondContact O-N 2.88Å; A166-W168 VanDerWaalsContact C-N 3.28Å; A166-W168 PolarHBondContact O-N 3.48Å; A166-A169 WeakPolarHBondContact O-CB 3.46Å; A166-A169 PolarHBondContact O-N 3.49Å; A166-A169 VanDerWaalsContact O-N 3.1Å; A166-D170 PolarHBondContact O-N 2.89Å
167	S	97.8	Very high	94.6	Very high	11 Å²	11	51.4 Å²	51.4	8%	0.077	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-37.6	178.9	-177.6	0	0	0	0	112.3	N112 T163 D170 H171	N112-S167 PolarHBondContact ND2-OG 3.28Å; N112-S167 PolarHBondContact OD1-OG 2.83Å; T163-S167 WeakPolarHBondContact O-CB 3.35Å; T163-S167 PolarHBondContact O-N 2.83Å; S167-D170 PolarHBondContact O-N 2.96Å; S167-H171 PolarHBondContact O-N 3.23Å; S167-H171 PolarHBondContact O-ND1 3.4Å
168	W	98.3	Very high	94.9	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-45.6	174.3	175.7	-122	0	0	0	112.5	Y4 L6 L90 A91 T104 V105 F108 W164 R165 A166 D170 H171 A172	Y4-W168 AromaticContact CE2-CD1 3.74Å; L6-W168 HydrophobicContact CD1-CB 3.53Å; L6-W168 HydrophobicContact CD1-CG 3.8Å; L90-W168 HydrophobicContact CD1-CH2 3.92Å; L90-W168 HydrophobicContact CD1-CZ2 3.7Å; L90-W168 HydrophobicContact CD1-CZ3 4.42Å; L90-W168 HydrophobicContact CD2-CD2 4.01Å; L90-W168 HydrophobicContact CD2-CE3 4.06Å; L90-W168 HydrophobicContact CD2-CZ3 4.36Å; A91-W168 WeakPolarHBondContact O-CZ2 3.25Å; A91-W168 PolarHBondContact O-NE1 3.1Å; T104-W168 HydrophobicContact CG2-CH2 4.09Å; T104-W168 HydrophobicContact CG2-CZ3 3.92Å; V105-W168 HydrophobicContact CG2-CH2 3.86Å; V105-W168 HydrophobicContact CG2-CZ3 4.11Å; F108-W168 HydrophobicContact CB-CE3 4.03Å; F108-W168 HydrophobicContact CB-CZ3 4.27Å; F108-W168 HydrophobicContact CD1-CE3 4.06Å; F108-W168 HydrophobicContact CD2-CB 4.19Å; F108-W168 HydrophobicContact CD2-CE3 4.22Å; F108-W168 HydrophobicContact CE2-CB 3.82Å; F108-W168 AromaticContact CG-CE3 3.84Å; F108-W168 HydrophobicContact CG-CE3 3.84Å; F108-W168 HydrophobicContact CG-CZ3 4.48Å; F108-W168 HydrophobicContact CZ-CB 4.09Å; W164-W168 WeakPolarHBondContact O-CB 3.39Å; W164-W168 PolarHBondContact O-N 3.38Å; R165-W168 PolarHBondContact O-N 2.98Å; A166-W168 VanDerWaalsContact C-N 3.28Å; A166-W168 PolarHBondContact O-N 3.48Å; W168-D170 VanDerWaalsContact C-N 3.29Å; W168-D170 PolarHBondContact O-N 2.95Å; W168-H171 HydrophobicContact CE3-CB 4.28Å; W168-H171 HydrophobicContact CZ3-CB 4.46Å; W168-H171 PolarHBondContact O-N 3.39Å; W168-A172 HydrophobicContact CH2-CB 4.46Å; W168-A172 HydrophobicContact CZ2-CB 4.16Å; W168-A172 WeakPolarHBondContact O-CB 3.47Å; W168-A172 PolarHBondContact O-N 3.03Å
169	A	97.2	Very high	95.3	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-57.4	-44.8	175.5	0	0	0	0	0	111.1	Y4 R165 A166 H171 A172 N173 I185 H187	Y4-A169 HydrophobicContact CD2-CB 4.37Å; Y4-A169 HydrophobicContact CE2-CB 4.07Å; R165-A169 PolarHBondContact O-N 3.06Å; R165-A169 VanDerWaalsContact O-N 3.14Å; A166-A169 WeakPolarHBondContact O-CB 3.46Å; A166-A169 PolarHBondContact O-N 3.49Å; A166-A169 VanDerWaalsContact O-N 3.1Å; A169-H171 PolarHBondContact O-N 3.26Å; A169-A172 PolarHBondContact O-N 3.21Å; A169-N173 VanDerWaalsContact O-CB 3.29Å; A169-N173 WeakPolarHBondContact O-CB 3.49Å; A169-N173 PolarHBondContact O-N 3.08Å; A169-N173 PolarHBondContact O-ND2 2.82Å; A169-I185 HydrophobicContact CB-CG1 4.42Å; A169-H187 HydrophobicContact CB-CB 4.38Å
170	D	97.7	Very high	95.5	Very high	89 Å²	89	44.7 Å²	44.7	48%	0.476	26%	0.261	S	S	.	.	H	α-helix	trans	-62.5	-41.8	178.5	-65.7	-19.4	0	0	0	112.6	A166 S167 W168 R174	A166-D170 PolarHBondContact O-N 2.89Å; S167-D170 PolarHBondContact O-N 2.96Å; W168-D170 VanDerWaalsContact C-N 3.29Å; W168-D170 PolarHBondContact O-N 2.95Å; D170-R174 VanDerWaalsContact O-CB 3.23Å; D170-R174 WeakPolarHBondContact O-CB 3.15Å; D170-R174 PolarHBondContact O-N 3.43Å
171	H	98.2	Very high	95.4	Very high	11 Å²	11	47 Å²	47	5%	0.051	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-47.7	176.8	-82.1	74.9	0	0	0	111.7	T104 F108 E111 S167 W168 A169 R174 A175	T104-H171 HydrophobicContact CG2-CB 4.06Å; F108-H171 HydrophobicContact CB-CB 4.41Å; E111-H171 IonicContact OE1-CE1 3.65Å; E111-H171 IonicContact OE2-CE1 3.78Å; E111-H171 PolarHBondContact OE2-CE1 2.76Å; E111-H171 IonicContact OE2-NE2 2.88Å; E111-H171 PolarHBondContact OE2-NE2 2.84Å; S167-H171 PolarHBondContact O-N 3.23Å; S167-H171 PolarHBondContact O-ND1 3.4Å; W168-H171 HydrophobicContact CE3-CB 4.28Å; W168-H171 HydrophobicContact CZ3-CB 4.46Å; W168-H171 PolarHBondContact O-N 3.39Å; A169-H171 PolarHBondContact O-N 3.26Å; H171-R174 PolarHBondContact O-N 3.26Å; H171-A175 WeakPolarHBondContact O-CB 3.45Å; H171-A175 PolarHBondContact O-N 2.76Å
172	A	96.8	Very high	95.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-45	180	0	0	0	0	0	111.9	P93 W168 A169 R174 A175 L176 I185	P93-A172 HydrophobicContact CG-CB 4.15Å; W168-A172 HydrophobicContact CH2-CB 4.46Å; W168-A172 HydrophobicContact CZ2-CB 4.16Å; W168-A172 WeakPolarHBondContact O-CB 3.47Å; W168-A172 PolarHBondContact O-N 3.03Å; A169-A172 PolarHBondContact O-N 3.21Å; A172-R174 PolarHBondContact O-N 3.14Å; A172-A175 WeakPolarHBondContact O-CB 3.25Å; A172-A175 PolarHBondContact O-N 2.7Å; A172-L176 WeakPolarHBondContact O-CB 3.36Å; A172-L176 WeakPolarHBondContact O-CG 3.28Å; A172-L176 PolarHBondContact O-N 3.06Å; A172-I185 HydrophobicContact CB-CD1 3.37Å; A172-I185 HydrophobicContact CB-CG1 4.01Å
173	N	97	Very high	94.6	Very high	27 Å²	27	55.7 Å²	55.7	14%	0.144	31%	0.305	C	S	.	.	H	α-helix	trans	-64.3	-40.5	178.5	-69.6	-16.4	0	0	0	111.8	A169 A175 L176 A177 E184 I185	A169-N173 VanDerWaalsContact O-CB 3.29Å; A169-N173 WeakPolarHBondContact O-CB 3.49Å; A169-N173 PolarHBondContact O-N 3.08Å; A169-N173 PolarHBondContact O-ND2 2.82Å; N173-A175 VanDerWaalsContact C-N 3.32Å; N173-A175 PolarHBondContact O-N 3.11Å; N173-L176 PolarHBondContact O-N 2.68Å; N173-A177 WeakPolarHBondContact O-CB 3Å; N173-A177 PolarHBondContact O-N 3.1Å; N173-E184 WeakPolarHBondContact OD1-CA 3.48Å; N173-I185 PolarHBondContact ND2-O 3.2Å; N173-I185 WeakPolarHBondContact OD1-CG1 3.39Å; N173-I185 PolarHBondContact OD1-N 3.18Å; N173-I185 PolarHBondContact OD1-O 3.48Å
174	R	96.3	Very high	94.4	Very high	133 Å²	133	59.5 Å²	59.5	50%	0.502	32%	0.317	S	S	.	.	H	α-helix	trans	-62	-41	174.1	-169.5	-175.3	-52.5	128	7.5	111.8	D170 H171 A172 N178	D170-R174 VanDerWaalsContact O-CB 3.23Å; D170-R174 WeakPolarHBondContact O-CB 3.15Å; D170-R174 PolarHBondContact O-N 3.43Å; H171-R174 PolarHBondContact O-N 3.26Å; A172-R174 PolarHBondContact O-N 3.14Å; R174-N178 WeakPolarHBondContact O-CB 3.37Å; R174-N178 PolarHBondContact O-N 3.5Å; R174-N178 PolarHBondContact O-ND2 3.02Å
175	A	95.9	Very high	94.1	Very high	11 Å²	11	59.1 Å²	59.1	9%	0.091	32%	0.316	C	S	.	.	H	α-helix	trans	-66.5	-42.1	176.5	0	0	0	0	0	111.9	L96 T104 H171 A172 N173 N178 A179	L96-A175 HydrophobicContact CD1-CB 3.79Å; L96-A175 HydrophobicContact CD2-CB 3.86Å; L96-A175 WeakPolarHBondContact CD2-O 3.4Å; T104-A175 HydrophobicContact CG2-CB 3.91Å; T104-A175 VanDerWaalsContact OG1-CB 3.25Å; T104-A175 WeakPolarHBondContact OG1-CB 3.25Å; H171-A175 WeakPolarHBondContact O-CB 3.45Å; H171-A175 PolarHBondContact O-N 2.76Å; A172-A175 WeakPolarHBondContact O-CB 3.25Å; A172-A175 PolarHBondContact O-N 2.7Å; N173-A175 VanDerWaalsContact C-N 3.32Å; N173-A175 PolarHBondContact O-N 3.11Å; A175-N178 PolarHBondContact O-N 2.97Å; A175-A179 WeakPolarHBondContact O-CB 3.17Å; A175-A179 PolarHBondContact O-N 3.29Å
176	L	95.1	Very high	93.8	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-47.9	176.3	-76.6	167.5	0	0	0	111.2	A2 P93 E95 L96 A172 N173 N178 A179 G180 Y181	A2-L176 HydrophobicContact CB-CD1 3.97Å; P93-L176 HydrophobicContact CB-CD1 4.21Å; P93-L176 HydrophobicContact CB-CD2 3.88Å; P93-L176 HydrophobicContact CB-CG 4.25Å; P93-L176 HydrophobicContact CG-CD1 4.06Å; P93-L176 HydrophobicContact CG-CD2 4.49Å; P93-L176 HydrophobicContact CG-CG 4.33Å; E95-L176 HydrophobicContact CB-CD2 3.92Å; L96-L176 HydrophobicContact CD2-CD2 4.09Å; L96-L176 HydrophobicContact CD2-CG 4.33Å; L96-L176 HydrophobicContact CG-CD2 4.25Å; A172-L176 WeakPolarHBondContact O-CB 3.36Å; A172-L176 WeakPolarHBondContact O-CG 3.28Å; A172-L176 PolarHBondContact O-N 3.06Å; N173-L176 PolarHBondContact O-N 2.68Å; L176-N178 PolarHBondContact O-N 3.1Å; L176-A179 CarbonylContact O-C 3.6Å; L176-A179 WeakPolarHBondContact O-CA 3.45Å; L176-A179 PolarHBondContact O-N 2.84Å; L176-A179 VanDerWaalsContact O-N 3.09Å; L176-G180 PolarHBondContact O-N 2.7Å; L176-G180 VanDerWaalsContact O-N 3.1Å; L176-Y181 HydrophobicContact CD2-CD2 4.11Å; L176-Y181 HydrophobicContact CD2-CG 4.22Å; L176-Y181 PolarHBondContact O-N 2.97Å
177	A	94.5	Very high	93.6	Very high	63 Å²	63	58.1 Å²	58.1	52%	0.521	31%	0.312	S	S	.	.	H	α-helix	trans	-60	-43.8	176	0	0	0	0	0	112	N173 A179 G180	N173-A177 WeakPolarHBondContact O-CB 3Å; N173-A177 PolarHBondContact O-N 3.1Å; A177-A179 PolarHBondContact O-N 3.32Å; A177-G180 PolarHBondContact O-N 3.47Å
178	N	94.3	Very high	93.3	Very high	137 Å²	137	62.3 Å²	62.3	73%	0.733	33%	0.326	S	S	*	.	H	α-helix	trans	-64.9	-28.1	176	-72.9	-17.1	0	0	0	113.1	R174 A175 L176 G180	R174-N178 WeakPolarHBondContact O-CB 3.37Å; R174-N178 PolarHBondContact O-N 3.5Å; R174-N178 PolarHBondContact O-ND2 3.02Å; A175-N178 PolarHBondContact O-N 2.97Å; L176-N178 PolarHBondContact O-N 3.1Å; N178-G180 VanDerWaalsContact C-N 3.3Å
179	A	92.7	Very high	92.7	Very high	44 Å²	44	65 Å²	65	36%	0.364	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.2	174	0	0	0	0	0	113.2	L96 A175 L176 A177 Y181	L96-A179 HydrophobicContact CD2-CB 4.02Å; A175-A179 WeakPolarHBondContact O-CB 3.17Å; A175-A179 PolarHBondContact O-N 3.29Å; L176-A179 CarbonylContact O-C 3.6Å; L176-A179 WeakPolarHBondContact O-CA 3.45Å; L176-A179 PolarHBondContact O-N 2.84Å; L176-A179 VanDerWaalsContact O-N 3.09Å; A177-A179 PolarHBondContact O-N 3.32Å; A179-Y181 HydrophobicContact CB-CD2 3.83Å; A179-Y181 HydrophobicContact CB-CE2 3.98Å
180	G	91.9	Very high	92	Very high	67 Å²	67	68.7 Å²	68.7	69%	0.691	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	19.3	176.7	0	0	0	0	0	115.2	L176 A177 N178	L176-G180 PolarHBondContact O-N 2.7Å; L176-G180 VanDerWaalsContact O-N 3.1Å; A177-G180 PolarHBondContact O-N 3.47Å; N178-G180 VanDerWaalsContact C-N 3.3Å
181	Y	89.7	Confident	91	Very high	102 Å²	102	72.5 Å²	72.5	40%	0.4	37%	0.374	S	S	.	.			trans	-95.8	136.5	175.1	-64.9	-84.1	0	0	0	111.4	E95 L176 A179	E95-Y181 HydrophobicContact CB-CD1 4.24Å; E95-Y181 HydrophobicContact CB-CD2 4.16Å; E95-Y181 HydrophobicContact CB-CE1 3.91Å; E95-Y181 HydrophobicContact CB-CE2 3.83Å; E95-Y181 HydrophobicContact CB-CG 4.36Å; E95-Y181 HydrophobicContact CG-CD1 4.25Å; E95-Y181 HydrophobicContact CG-CE1 3.97Å; E95-Y181 VanDerWaalsContact O-CE2 3.31Å; E95-Y181 WeakPolarHBondContact O-CE2 3.42Å; E95-Y181 PolarHBondContact O-OH 3.3Å; L176-Y181 HydrophobicContact CD2-CD2 4.11Å; L176-Y181 HydrophobicContact CD2-CG 4.22Å; L176-Y181 PolarHBondContact O-N 2.97Å; A179-Y181 HydrophobicContact CB-CD2 3.83Å; A179-Y181 HydrophobicContact CB-CE2 3.98Å
182	E	84.5	Confident	90.4	Very high	194 Å²	194	78 Å²	78	91%	0.907	39%	0.394	S	S	*	.			trans	-88.1	-11.8	175	-62.3	-174.9	171.3	0	0	112.9
183	E	83	Confident	89.8	Confident	74 Å²	74	80.8 Å²	80.8	35%	0.346	41%	0.407	S	S	.	.			trans	-70.7	134	178.7	-65.5	-176.7	-173	0	0	110.8	M1 A2	M1-E183 WeakPolarHBondContact CA-OE2 3.38Å; M1-E183 WeakPolarHBondContact CG-OE1 3.46Å; A2-E183 PolarHBondContact N-OE2 3.42Å
184	E	89.7	Confident	88.9	Confident	160 Å²	160	82.3 Å²	82.3	75%	0.748	43%	0.429	S	S	*	.			trans	-117.2	144	174.5	-67.1	-174	162.5	0	0	110.6	N173	N173-E184 WeakPolarHBondContact OD1-CA 3.48Å
185	I	91.5	Very high	87.9	Confident	7 Å²	7	79.7 Å²	79.7	4%	0.036	43%	0.425	C	S	.	.			trans	-96.8	143.1	168.5	70.4	173.2	0	0	0	109.9	A2 Y4 A169 A172 N173	A2-I185 HydrophobicContact CB-CG2 3.42Å; A2-I185 VanDerWaalsContact CB-CG2 3.42Å; Y4-I185 HydrophobicContact CD2-CB 4.36Å; Y4-I185 HydrophobicContact CD2-CD1 3.79Å; Y4-I185 HydrophobicContact CD2-CG1 4.09Å; A169-I185 HydrophobicContact CB-CG1 4.42Å; A172-I185 HydrophobicContact CB-CD1 3.37Å; A172-I185 HydrophobicContact CB-CG1 4.01Å; N173-I185 PolarHBondContact ND2-O 3.2Å; N173-I185 WeakPolarHBondContact OD1-CG1 3.39Å; N173-I185 PolarHBondContact OD1-N 3.18Å; N173-I185 PolarHBondContact OD1-O 3.48Å
186	D	92.5	Very high	86.9	Confident	44 Å²	44	85.4 Å²	85.4	24%	0.235	45%	0.45	C	S	.	.			trans	-127.7	133.6	178.4	-168	-37.6	0	0	0	110	Y4 R188 Q193	Y4-D186 WeakPolarHBondContact CB-O 3.4Å; D186-R188 VanDerWaalsContact C-N 3.33Å; D186-R188 WeakPolarHBondContact OD1-CB 3.44Å; D186-R188 VanDerWaalsContact OD1-CG 3.25Å; D186-R188 WeakPolarHBondContact OD1-CG 3.35Å; D186-R188 PolarHBondContact OD1-N 2.78Å; D186-R188 IonicContact OD1-NE 3.04Å; D186-R188 PolarHBondContact OD1-NE 2.94Å; D186-R188 VanDerWaalsContact OD1-NE 3.11Å; D186-R188 IonicContact OD2-CZ 2.81Å; D186-R188 VanDerWaalsContact OD2-CZ 3.28Å; D186-R188 IonicContact OD2-NE 3.89Å; D186-R188 PolarHBondContact OD2-NE 3.23Å; D186-R188 IonicContact OD2-NH2 3.81Å; D186-R188 PolarHBondContact OD2-NH2 3.02Å; D186-Q193 HydrophobicContact CB-CG 4.4Å
187	H	91.9	Very high	86	Confident	41 Å²	41	89.8 Å²	89.8	19%	0.19	47%	0.469	C	S	.	.			trans	-78.3	-17.5	-177.3	65	-79.1	0	0	0	114.3	Y4 E162 R165 A169	Y4-H187 HydrophobicContact CD1-CB 4.46Å; Y4-H187 HydrophobicContact CD2-CB 4.24Å; Y4-H187 HydrophobicContact CE1-CB 3.81Å; Y4-H187 HydrophobicContact CE2-CB 3.55Å; Y4-H187 WeakPolarHBondContact OH-CB 3.23Å; E162-H187 IonicContact OE1-CD2 2.83Å; E162-H187 IonicContact OE1-NE2 3.84Å; E162-H187 PolarHBondContact OE1-NE2 3.33Å; R165-H187 HydrophobicContact CB-CB 3.94Å; A169-H187 HydrophobicContact CB-CB 4.38Å
188	R	91.1	Very high	85.3	Confident	99 Å²	99	89.5 Å²	89.5	37%	0.374	46%	0.461	S	S	.	.	S	Bend	trans	-77	155.5	-177.2	-60	177.8	-68.7	173.9	-4.8	110.1	D186 R192 Q193	D186-R188 VanDerWaalsContact C-N 3.33Å; D186-R188 WeakPolarHBondContact OD1-CB 3.44Å; D186-R188 VanDerWaalsContact OD1-CG 3.25Å; D186-R188 WeakPolarHBondContact OD1-CG 3.35Å; D186-R188 PolarHBondContact OD1-N 2.78Å; D186-R188 IonicContact OD1-NE 3.04Å; D186-R188 PolarHBondContact OD1-NE 2.94Å; D186-R188 VanDerWaalsContact OD1-NE 3.11Å; D186-R188 IonicContact OD2-CZ 2.81Å; D186-R188 VanDerWaalsContact OD2-CZ 3.28Å; D186-R188 IonicContact OD2-NE 3.89Å; D186-R188 PolarHBondContact OD2-NE 3.23Å; D186-R188 IonicContact OD2-NH2 3.81Å; D186-R188 PolarHBondContact OD2-NH2 3.02Å; R188-R192 HydrophobicContact CB-CB 3.83Å; R188-Q193 HydrophobicContact CB-CG 4.07Å; R188-Q193 PolarHBondContact O-NE2 3.17Å
189	S	84.9	Confident	84.5	Confident	58 Å²	58	87.1 Å²	87.1	41%	0.406	45%	0.453	S	S	.	.			trans	-62.8	157.1	170.3	58.3	0	0	0	0	110.9	E191 R192 Q193	S189-E191 PolarHBondContact O-N 3.05Å; S189-R192 PolarHBondContact O-N 3.32Å; S189-R192 PolarHBondContact OG-N 3.09Å; S189-Q193 WeakPolarHBondContact O-CG 3.43Å; S189-Q193 PolarHBondContact O-N 2.99Å
190	Y	82.7	Confident	83.8	Confident	81 Å²	81	87.6 Å²	87.6	32%	0.318	46%	0.462	S	S	.	.	H	α-helix	trans	-53.2	-40.1	174.1	-65	-40.2	0	0	0	112.2	R192 Q193 G194 L195 K197 P199	Y190-R192 PolarHBondContact O-N 2.64Å; Y190-Q193 CarbonylContact O-C 3.47Å; Y190-Q193 WeakPolarHBondContact O-CB 3.21Å; Y190-Q193 PolarHBondContact O-N 2.88Å; Y190-Q193 VanDerWaalsContact O-N 3.1Å; Y190-G194 PolarHBondContact O-N 3.47Å; Y190-G194 VanDerWaalsContact O-N 3.1Å; Y190-L195 CarbonylContact C-O 3.43Å; Y190-L195 HydrophobicContact CD1-CB 4.5Å; Y190-L195 HydrophobicContact CD1-CD1 4.01Å; Y190-L195 PolarHBondContact O-N 3.43Å; Y190-K197 HydrophobicContact CD2-CB 3.87Å; Y190-K197 HydrophobicContact CD2-CD 4.19Å; Y190-K197 HydrophobicContact CD2-CG 4.05Å; Y190-K197 WeakPolarHBondContact CD2-O 3.46Å; Y190-K197 HydrophobicContact CE1-CD 4.12Å; Y190-K197 HydrophobicContact CE2-CB 4.3Å; Y190-K197 HydrophobicContact CE2-CD 3.78Å; Y190-K197 HydrophobicContact CE2-CG 3.97Å; Y190-K197 HydrophobicContact CG-CB 4.05Å; Y190-P199 HydrophobicContact CD2-CB 4.33Å; Y190-P199 HydrophobicContact CE2-CB 4.31Å
191	E	77.9	Confident	83.1	Confident	168 Å²	168	88 Å²	88	79%	0.785	45%	0.447	S	S	*	.	H	α-helix	trans	-55	-49.9	172.3	-178	-174.2	-163	0	0	112.6	S189 Q193 G194	S189-E191 PolarHBondContact O-N 3.05Å; E191-Q193 PolarHBondContact O-N 2.96Å; E191-G194 PolarHBondContact O-N 2.96Å
192	R	84.4	Confident	82.3	Confident	127 Å²	127	90.4 Å²	90.4	48%	0.479	46%	0.462	S	S	.	.	H	α-helix	trans	-69.6	-17.8	178.5	-77.6	179.1	64.9	-159.2	-0.1	113.7	E162 R188 S189 Y190	E162-R192 IonicContact OE1-CZ 3.75Å; E162-R192 IonicContact OE1-NH1 3.08Å; E162-R192 PolarHBondContact OE1-NH1 2.98Å; E162-R192 IonicContact OE1-NH2 3.57Å; E162-R192 PolarHBondContact OE1-NH2 3.33Å; E162-R192 IonicContact OE2-NH1 2.77Å; R188-R192 HydrophobicContact CB-CB 3.83Å; S189-R192 PolarHBondContact O-N 3.32Å; S189-R192 PolarHBondContact OG-N 3.09Å; Y190-R192 PolarHBondContact O-N 2.64Å
193	Q	84.1	Confident	81.3	Confident	58 Å²	58	83.2 Å²	83.2	27%	0.271	43%	0.43	S	S	.	.	H	α-helix	trans	-86	-9.2	171.1	-63	175.7	38.4	0	0	112.2	D186 R188 S189 Y190 E191 L195	D186-Q193 HydrophobicContact CB-CG 4.4Å; R188-Q193 HydrophobicContact CB-CG 4.07Å; R188-Q193 PolarHBondContact O-NE2 3.17Å; S189-Q193 WeakPolarHBondContact O-CG 3.43Å; S189-Q193 PolarHBondContact O-N 2.99Å; Y190-Q193 CarbonylContact O-C 3.47Å; Y190-Q193 WeakPolarHBondContact O-CB 3.21Å; Y190-Q193 PolarHBondContact O-N 2.88Å; Y190-Q193 VanDerWaalsContact O-N 3.1Å; E191-Q193 PolarHBondContact O-N 2.96Å; Q193-L195 VanDerWaalsContact C-N 3.29Å; Q193-L195 HydrophobicContact CB-CD1 4.04Å; Q193-L195 HydrophobicContact CB-CG 3.89Å
194	G	78	Confident	80.1	Confident	60 Å²	60	80.6 Å²	80.6	62%	0.619	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	20.3	-172.1	0	0	0	0	0	113.4	Y190 E191	Y190-G194 PolarHBondContact O-N 3.47Å; Y190-G194 VanDerWaalsContact O-N 3.1Å; E191-G194 PolarHBondContact O-N 2.96Å
195	L	75	Confident	78.7	Confident	78 Å²	78	81.2 Å²	81.2	41%	0.408	42%	0.422	S	S	.	.			trans	-93.7	115.9	177.9	-62.1	178.6	0	0	0	109.9	Y190 Q193 K197	Y190-L195 CarbonylContact C-O 3.43Å; Y190-L195 HydrophobicContact CD1-CB 4.5Å; Y190-L195 HydrophobicContact CD1-CD1 4.01Å; Y190-L195 PolarHBondContact O-N 3.43Å; Q193-L195 VanDerWaalsContact C-N 3.29Å; Q193-L195 HydrophobicContact CB-CD1 4.04Å; Q193-L195 HydrophobicContact CB-CG 3.89Å; L195-K197 PolarHBondContact O-N 3.25Å
196	E	76.3	Confident	77.2	Confident	131 Å²	131	85.2 Å²	85.2	61%	0.612	45%	0.451	S	S	*	.			trans	-74	74.3	168.5	-74.5	175.4	175.5	0	0	109.7	R237	E196-R237 VanDerWaalsContact CD-NH2 3.29Å; E196-R237 IonicContact OE2-CZ 3.45Å; E196-R237 IonicContact OE2-NE 3.46Å; E196-R237 IonicContact OE2-NH2 3.9Å; E196-R237 PolarHBondContact OE2-NH2 3.49Å
197	K	76.3	Confident	75.6	Confident	93 Å²	93	83.6 Å²	83.6	40%	0.404	44%	0.444	S	S	.	.			trans	-134.1	125.4	179.5	-169.5	176.9	-179.8	-177.4	0	109.4	Y190 L195 N230	Y190-K197 HydrophobicContact CD2-CB 3.87Å; Y190-K197 HydrophobicContact CD2-CD 4.19Å; Y190-K197 HydrophobicContact CD2-CG 4.05Å; Y190-K197 WeakPolarHBondContact CD2-O 3.46Å; Y190-K197 HydrophobicContact CE1-CD 4.12Å; Y190-K197 HydrophobicContact CE2-CB 4.3Å; Y190-K197 HydrophobicContact CE2-CD 3.78Å; Y190-K197 HydrophobicContact CE2-CG 3.97Å; Y190-K197 HydrophobicContact CG-CB 4.05Å; L195-K197 PolarHBondContact O-N 3.25Å; K197-N230 WeakPolarHBondContact CA-OD1 3.24Å; K197-N230 HydrophobicContact CG-CB 4.31Å; K197-N230 WeakPolarHBondContact CG-ND2 3.22Å; K197-N230 WeakPolarHBondContact CG-OD1 3.49Å
198	T	79.6	Confident	74.1	Confident	57 Å²	57	84.8 Å²	84.8	35%	0.35	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-76.3	125	175.3	-58.1	0	0	0	0	109	I226 N230	T198-I226 HydrophobicContact CG2-CD1 4.5Å; T198-I226 HydrophobicContact CG2-CG1 4.08Å; T198-I226 HydrophobicContact CG2-CG2 4.04Å; T198-I226 WeakPolarHBondContact O-CG2 3.43Å; T198-N230 PolarHBondContact N-OD1 2.82Å; T198-N230 PolarHBondContact O-ND2 3.34Å
199	P	76.3	Confident	72.5	Confident	87 Å²	87	82.3 Å²	82.3	57%	0.565	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-70.9	145.3	178.9	29.3	-34.2	0	0	0	111.4	Y190	Y190-P199 HydrophobicContact CD2-CB 4.33Å; Y190-P199 HydrophobicContact CE2-CB 4.31Å
200	G	78.3	Confident	71	Confident	54 Å²	54	83.2 Å²	83.2	56%	0.557	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-71.5	158.9	174	0	0	0	0	0	113.1	N223	G200-N223 WeakPolarHBondContact CA-OD1 3.36Å
201	I	76.5	Confident	70.3	Confident	74 Å²	74	81.6 Å²	81.6	38%	0.379	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-94.1	136.3	178.6	-55.7	171.9	0	0	0	109.6	L203 Q222 N223 I226	I201-L203 PolarHBondContact O-N 3.48Å; I201-Q222 HydrophobicContact CD1-CB 3.94Å; I201-Q222 VanDerWaalsContact CD1-OE1 3.31Å; I201-N223 PolarHBondContact N-OD1 3.31Å; I201-N223 PolarHBondContact O-ND2 3.45Å; I201-N223 PolarHBondContact O-OD1 3.35Å; I201-I226 HydrophobicContact CD1-CD1 4.17Å; I201-I226 HydrophobicContact CG1-CD1 4.02Å
202	H	73.3	Confident	69.7	Low	153 Å²	153	79.1 Å²	79.1	71%	0.708	45%	0.447	S	S	*	.			trans	-66.2	116	176.4	-177.1	73.1	0	0	0	111.4	G204 R219	H202-G204 PolarHBondContact CD2-N 3.11Å; H202-G204 PolarHBondContact O-N 3.49Å; H202-R219 PolarHBondContact O-NH1 3.36Å
203	L	65.1	Low	68.6	Low	44 Å²	44	82.9 Å²	82.9	23%	0.23	46%	0.461	C	S	.	.			trans	-63.6	-42	-178.9	-66.8	179	0	0	0	112.2	I201 A207 R219 N223	I201-L203 PolarHBondContact O-N 3.48Å; L203-A207 HydrophobicContact CB-CB 4.03Å; L203-A207 VanDerWaalsContact O-CB 3.29Å; L203-A207 WeakPolarHBondContact O-CB 3.29Å; L203-R219 VanDerWaalsContact CD2-C 3.41Å; L203-R219 HydrophobicContact CD2-CB 3.59Å; L203-R219 WeakPolarHBondContact CD2-O 3.17Å; L203-R219 PolarHBondContact O-NH1 3.07Å; L203-R219 VanDerWaalsContact O-NH1 3.08Å; L203-N223 WeakPolarHBondContact CD2-ND2 3.45Å
204	G	56.9	Low	67.4	Low	18 Å²	18	83.2 Å²	83.2	19%	0.186	48%	0.48	C	S	.	.			trans	81.9	165.9	-168.7	0	0	0	0	0	112.7	H202 S206 A207 C208	H202-G204 PolarHBondContact CD2-N 3.11Å; H202-G204 PolarHBondContact O-N 3.49Å; G204-S206 PolarHBondContact O-N 3.21Å; G204-A207 PolarHBondContact O-N 3.06Å; G204-C208 WeakPolarHBondContact O-CB 3.46Å; G204-C208 PolarHBondContact O-N 3.3Å
205	K	60.9	Low	66.4	Low	174 Å²	174	84.7 Å²	84.7	76%	0.757	47%	0.473	S	S	*	.	H	α-helix	trans	-59.7	-48.6	-171.3	-68.6	-177	179.7	179.9	0	113.5	C208 A209	K205-C208 PolarHBondContact O-N 2.98Å; K205-A209 WeakPolarHBondContact O-CB 3.36Å; K205-A209 PolarHBondContact O-N 3.19Å
206	S	59.2	Low	65.9	Low	91 Å²	91	88 Å²	88	64%	0.636	49%	0.486	S	S	*	.	H	α-helix	trans	-65.5	-44.3	-177.2	-51	0	0	0	0	112	G204 A209 M210	G204-S206 PolarHBondContact O-N 3.21Å; S206-A209 PolarHBondContact O-N 3.07Å; S206-M210 WeakPolarHBondContact O-CG 3.36Å; S206-M210 PolarHBondContact O-N 3.01Å
207	A	58.5	Low	65.1	Low	10 Å²	10	82.7 Å²	82.7	8%	0.083	46%	0.463	C	S	.	.	H	α-helix	trans	-65	-42.9	178.2	0	0	0	0	0	111.5	L203 G204 A209 M210 E211 T217	L203-A207 HydrophobicContact CB-CB 4.03Å; L203-A207 VanDerWaalsContact O-CB 3.29Å; L203-A207 WeakPolarHBondContact O-CB 3.29Å; G204-A207 PolarHBondContact O-N 3.06Å; A207-A209 VanDerWaalsContact C-N 3.32Å; A207-A209 PolarHBondContact O-N 2.57Å; A207-M210 HydrophobicContact CB-CE 4.46Å; A207-M210 PolarHBondContact O-N 3.46Å; A207-E211 VanDerWaalsContact O-CG 3.32Å; A207-E211 WeakPolarHBondContact O-CG 3.38Å; A207-E211 PolarHBondContact O-N 2.95Å; A207-T217 HydrophobicContact CB-CG2 4.25Å
208	C	61.3	Low	64.8	Low	65 Å²	65	85.7 Å²	85.7	44%	0.439	48%	0.478	S	S	.	.	H	α-helix	trans	-59.6	-41.4	174.5	-174.7	0	0	0	0	112.2	G204 K205 T212	G204-C208 WeakPolarHBondContact O-CB 3.46Å; G204-C208 PolarHBondContact O-N 3.3Å; K205-C208 PolarHBondContact O-N 2.98Å; C208-T212 WeakPolarHBondContact O-CB 3.42Å; C208-T212 PolarHBondContact O-N 3.4Å; C208-T212 PolarHBondContact O-OG1 2.92Å
209	A	56.9	Low	64	Low	47 Å²	47	88.9 Å²	88.9	39%	0.388	48%	0.484	S	S	.	.	H	α-helix	trans	-66.7	-35.9	176.4	0	0	0	0	0	113.2	K205 S206 A207 R213	K205-A209 WeakPolarHBondContact O-CB 3.36Å; K205-A209 PolarHBondContact O-N 3.19Å; S206-A209 PolarHBondContact O-N 3.07Å; A207-A209 VanDerWaalsContact C-N 3.32Å; A207-A209 PolarHBondContact O-N 2.57Å; A209-R213 WeakPolarHBondContact O-CG 3.33Å; A209-R213 PolarHBondContact O-N 2.92Å
210	M	52.8	Low	63.4	Low	78 Å²	78	84.9 Å²	84.9	38%	0.384	46%	0.459	S	S	.	.	H	α-helix	trans	-66.9	-50.1	174.4	-73.3	-175.4	-70.1	0	0	111.1	S206 A207 T212 R213 G214 I215 T217	S206-M210 WeakPolarHBondContact O-CG 3.36Å; S206-M210 PolarHBondContact O-N 3.01Å; A207-M210 HydrophobicContact CB-CE 4.46Å; A207-M210 PolarHBondContact O-N 3.46Å; M210-T212 VanDerWaalsContact C-N 3.3Å; M210-T212 PolarHBondContact O-N 3.43Å; M210-R213 CarbonylContact O-C 3.56Å; M210-R213 WeakPolarHBondContact O-CA 3.38Å; M210-R213 WeakPolarHBondContact O-CB 3.19Å; M210-R213 PolarHBondContact O-N 2.98Å; M210-G214 PolarHBondContact O-N 3.15Å; M210-I215 CarbonylContact C-O 3.5Å; M210-I215 VanDerWaalsContact C-O 3.26Å; M210-I215 HydrophobicContact CB-CB 4.09Å; M210-I215 HydrophobicContact CB-CG2 4.31Å; M210-I215 WeakPolarHBondContact O-CB 3.45Å; M210-I215 PolarHBondContact O-N 3.34Å; M210-T217 HydrophobicContact CB-CG2 3.7Å; M210-T217 HydrophobicContact CE-CG2 3.8Å; M210-T217 HydrophobicContact SD-CG2 4.35Å
211	E	67.8	Low	63.1	Low	47 Å²	47	85.6 Å²	85.6	22%	0.22	45%	0.447	C	S	.	.	H	α-helix	trans	-61.1	-37.8	178.3	-66.2	-73.9	162	0	0	111.8	A207 R213 G214 I215 T217 G220 R224	A207-E211 VanDerWaalsContact O-CG 3.32Å; A207-E211 WeakPolarHBondContact O-CG 3.38Å; A207-E211 PolarHBondContact O-N 2.95Å; E211-R213 PolarHBondContact O-N 3Å; E211-G214 PolarHBondContact O-N 3.13Å; E211-I215 WeakPolarHBondContact CA-O 3.38Å; E211-I215 PolarHBondContact N-O 3.48Å; E211-T217 HydrophobicContact CG-CG2 4.12Å; E211-T217 WeakPolarHBondContact OE1-CA 3.36Å; E211-T217 VanDerWaalsContact OE1-CB 3.32Å; E211-T217 WeakPolarHBondContact OE1-CB 3.16Å; E211-T217 PolarHBondContact OE1-N 2.79Å; E211-T217 PolarHBondContact OE1-OG1 3.42Å; E211-G220 WeakPolarHBondContact OE1-CA 3.1Å; E211-R224 IonicContact OE1-NH1 2.66Å; E211-R224 IonicContact OE2-NH1 2.89Å; E211-R224 PolarHBondContact OE2-NH1 3.02Å
212	T	67.1	Low	62.8	Low	115 Å²	115	85.4 Å²	85.4	71%	0.706	45%	0.445	S	S	*	.	H	α-helix	trans	-62.7	-26.6	175.8	-55.8	0	0	0	0	112.3	C208 M210 G214	C208-T212 WeakPolarHBondContact O-CB 3.42Å; C208-T212 PolarHBondContact O-N 3.4Å; C208-T212 PolarHBondContact O-OG1 2.92Å; M210-T212 VanDerWaalsContact C-N 3.3Å; M210-T212 PolarHBondContact O-N 3.43Å; T212-G214 VanDerWaalsContact C-N 3.32Å
213	R	61.2	Low	62.8	Low	207 Å²	207	79.3 Å²	79.3	78%	0.781	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	6.4	175.1	-66.2	174.6	-177.3	178.9	0.8	112.8	A209 M210 E211 I215	A209-R213 WeakPolarHBondContact O-CG 3.33Å; A209-R213 PolarHBondContact O-N 2.92Å; M210-R213 CarbonylContact O-C 3.56Å; M210-R213 WeakPolarHBondContact O-CA 3.38Å; M210-R213 WeakPolarHBondContact O-CB 3.19Å; M210-R213 PolarHBondContact O-N 2.98Å; E211-R213 PolarHBondContact O-N 3Å; R213-I215 VanDerWaalsContact C-N 3.3Å; R213-I215 HydrophobicContact CB-CD1 4.47Å; R213-I215 HydrophobicContact CB-CG1 4.46Å
214	G	57.1	Low	63.6	Low	65 Å²	65	80.8 Å²	80.8	67%	0.67	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	13	-176.1	0	0	0	0	0	114.3	M210 E211 T212	M210-G214 PolarHBondContact O-N 3.15Å; E211-G214 PolarHBondContact O-N 3.13Å; T212-G214 VanDerWaalsContact C-N 3.32Å
215	I	58.1	Low	64.3	Low	91 Å²	91	84 Å²	84	47%	0.467	43%	0.433	S	S	.	.			trans	-89.7	112.1	175.4	-57.8	171.5	0	0	0	107.8	M210 E211 R213	M210-I215 CarbonylContact C-O 3.5Å; M210-I215 VanDerWaalsContact C-O 3.26Å; M210-I215 HydrophobicContact CB-CB 4.09Å; M210-I215 HydrophobicContact CB-CG2 4.31Å; M210-I215 WeakPolarHBondContact O-CB 3.45Å; M210-I215 PolarHBondContact O-N 3.34Å; E211-I215 WeakPolarHBondContact CA-O 3.38Å; E211-I215 PolarHBondContact N-O 3.48Å; R213-I215 VanDerWaalsContact C-N 3.3Å; R213-I215 HydrophobicContact CB-CD1 4.47Å; R213-I215 HydrophobicContact CB-CG1 4.46Å
216	E	63.6	Low	64.7	Low	147 Å²	147	76.8 Å²	76.8	69%	0.687	40%	0.402	S	S	*	.			trans	-66.6	139.2	177.9	-65.1	-177.4	171.6	0	0	111.5
217	T	59.5	Low	65.3	Low	19 Å²	19	77.2 Å²	77.2	12%	0.117	40%	0.397	C	S	.	.			trans	-122.1	150.9	178.7	69.4	0	0	0	0	109.5	A207 M210 E211 R219 G220 E221	A207-T217 HydrophobicContact CB-CG2 4.25Å; M210-T217 HydrophobicContact CB-CG2 3.7Å; M210-T217 HydrophobicContact CE-CG2 3.8Å; M210-T217 HydrophobicContact SD-CG2 4.35Å; E211-T217 HydrophobicContact CG-CG2 4.12Å; E211-T217 WeakPolarHBondContact OE1-CA 3.36Å; E211-T217 VanDerWaalsContact OE1-CB 3.32Å; E211-T217 WeakPolarHBondContact OE1-CB 3.16Å; E211-T217 PolarHBondContact OE1-N 2.79Å; E211-T217 PolarHBondContact OE1-OG1 3.42Å; T217-R219 VanDerWaalsContact C-N 3.27Å; T217-R219 PolarHBondContact O-N 3.44Å; T217-G220 WeakPolarHBondContact O-CA 3.17Å; T217-G220 PolarHBondContact O-N 3.26Å; T217-G220 PolarHBondContact OG1-N 3.03Å; T217-E221 PolarHBondContact O-N 3Å
218	E	70.5	Confident	66	Low	156 Å²	156	83.7 Å²	83.7	73%	0.729	42%	0.42	S	S	*	.	H	α-helix	trans	-54.4	-43.9	176.7	-174.4	-173.8	175.2	0	0	112.1	G220 E221 Q222	E218-G220 VanDerWaalsContact C-N 3.35Å; E218-G220 PolarHBondContact O-N 3.4Å; E218-E221 PolarHBondContact O-N 2.95Å; E218-Q222 WeakPolarHBondContact O-CG 3.21Å; E218-Q222 PolarHBondContact O-N 2.85Å
219	R	64	Low	66.5	Low	124 Å²	124	84.3 Å²	84.3	47%	0.468	42%	0.418	S	S	.	.	H	α-helix	trans	-66.8	-35.2	177	-66.4	-175.3	176.5	-179.8	-3.1	112.6	H202 L203 T217 N223	H202-R219 PolarHBondContact O-NH1 3.36Å; L203-R219 VanDerWaalsContact CD2-C 3.41Å; L203-R219 HydrophobicContact CD2-CB 3.59Å; L203-R219 WeakPolarHBondContact CD2-O 3.17Å; L203-R219 PolarHBondContact O-NH1 3.07Å; L203-R219 VanDerWaalsContact O-NH1 3.08Å; T217-R219 VanDerWaalsContact C-N 3.27Å; T217-R219 PolarHBondContact O-N 3.44Å; R219-N223 PolarHBondContact O-N 3.36Å; R219-N223 VanDerWaalsContact O-N 3.12Å
220	G	63.3	Low	67.3	Low	4 Å²	4	83 Å²	83	4%	0.041	40%	0.404	C	S	.	.	H	α-helix	trans	-62.8	-43.1	173	0	0	0	0	0	111.8	E211 T217 E218 N223 R224	E211-G220 WeakPolarHBondContact OE1-CA 3.1Å; T217-G220 WeakPolarHBondContact O-CA 3.17Å; T217-G220 PolarHBondContact O-N 3.26Å; T217-G220 PolarHBondContact OG1-N 3.03Å; E218-G220 VanDerWaalsContact C-N 3.35Å; E218-G220 PolarHBondContact O-N 3.4Å; G220-N223 PolarHBondContact O-N 3.3Å; G220-R224 WeakPolarHBondContact O-CG 3.41Å; G220-R224 PolarHBondContact O-N 3.36Å
221	E	71.2	Confident	68	Low	68 Å²	68	83.9 Å²	83.9	32%	0.318	41%	0.41	S	S	.	.	H	α-helix	trans	-64.5	-43.1	177.3	-172.1	55.5	-152	0	0	112.2	T217 E218 N223 R224 L225	T217-E221 PolarHBondContact O-N 3Å; E218-E221 PolarHBondContact O-N 2.95Å; E221-N223 VanDerWaalsContact C-N 3.3Å; E221-N223 PolarHBondContact O-N 3.48Å; E221-R224 PolarHBondContact O-N 3.31Å; E221-R224 VanDerWaalsContact O-N 3.15Å; E221-R224 IonicContact OE2-CZ 3.8Å; E221-R224 VanDerWaalsContact OE2-CZ 3.27Å; E221-R224 IonicContact OE2-NE 3.86Å; E221-R224 PolarHBondContact OE2-NE 3.3Å; E221-R224 IonicContact OE2-NH2 2.73Å; E221-R224 PolarHBondContact OE2-NH2 2.89Å; E221-L225 HydrophobicContact CG-CD1 4.34Å; E221-L225 WeakPolarHBondContact O-CG 3.35Å; E221-L225 PolarHBondContact O-N 2.88Å
222	Q	69.6	Low	68	Low	70 Å²	70	87.2 Å²	87.2	33%	0.327	43%	0.426	S	S	.	.	H	α-helix	trans	-57.3	-43.3	173.2	-70.7	170.7	-13.5	0	0	111.9	I201 E218 L225 I226	I201-Q222 HydrophobicContact CD1-CB 3.94Å; I201-Q222 VanDerWaalsContact CD1-OE1 3.31Å; E218-Q222 WeakPolarHBondContact O-CG 3.21Å; E218-Q222 PolarHBondContact O-N 2.85Å; Q222-L225 PolarHBondContact O-N 3.4Å; Q222-I226 VanDerWaalsContact O-CG1 3.28Å; Q222-I226 WeakPolarHBondContact O-CG1 3.49Å; Q222-I226 PolarHBondContact O-N 3.41Å
223	N	73.4	Confident	67.9	Low	26 Å²	26	84 Å²	84	14%	0.139	40%	0.404	C	S	.	.	H	α-helix	trans	-66.9	-37.3	176.1	-81.3	-25.6	0	0	0	113.2	G200 I201 L203 R219 G220 E221 L225 I226 N227	G200-N223 WeakPolarHBondContact CA-OD1 3.36Å; I201-N223 PolarHBondContact N-OD1 3.31Å; I201-N223 PolarHBondContact O-ND2 3.45Å; I201-N223 PolarHBondContact O-OD1 3.35Å; L203-N223 WeakPolarHBondContact CD2-ND2 3.45Å; R219-N223 PolarHBondContact O-N 3.36Å; R219-N223 VanDerWaalsContact O-N 3.12Å; G220-N223 PolarHBondContact O-N 3.3Å; E221-N223 VanDerWaalsContact C-N 3.3Å; E221-N223 PolarHBondContact O-N 3.48Å; N223-L225 VanDerWaalsContact C-N 3.34Å; N223-I226 PolarHBondContact O-N 3.5Å; N223-N227 WeakPolarHBondContact O-CB 3.4Å; N223-N227 VanDerWaalsContact O-CG 3.25Å; N223-N227 PolarHBondContact O-N 2.94Å; N223-N227 PolarHBondContact O-ND2 3.19Å
224	R	83.5	Confident	67.9	Low	75 Å²	75	80.1 Å²	80.1	28%	0.283	39%	0.394	S	S	.	.	H	α-helix	trans	-61.9	-42.2	173.1	-73.5	-175.7	-72.3	-95.3	6	111.3	E211 G220 E221 N227 R228	E211-R224 IonicContact OE1-NH1 2.66Å; E211-R224 IonicContact OE2-NH1 2.89Å; E211-R224 PolarHBondContact OE2-NH1 3.02Å; G220-R224 WeakPolarHBondContact O-CG 3.41Å; G220-R224 PolarHBondContact O-N 3.36Å; E221-R224 PolarHBondContact O-N 3.31Å; E221-R224 VanDerWaalsContact O-N 3.15Å; E221-R224 IonicContact OE2-CZ 3.8Å; E221-R224 VanDerWaalsContact OE2-CZ 3.27Å; E221-R224 IonicContact OE2-NE 3.86Å; E221-R224 PolarHBondContact OE2-NE 3.3Å; E221-R224 IonicContact OE2-NH2 2.73Å; E221-R224 PolarHBondContact OE2-NH2 2.89Å; R224-N227 PolarHBondContact O-N 3.19Å; R224-R228 WeakPolarHBondContact O-CB 3.46Å; R224-R228 PolarHBondContact O-N 3.47Å
225	L	70.5	Confident	67.9	Low	85 Å²	85	80.6 Å²	80.6	45%	0.445	38%	0.381	S	S	.	.	H	α-helix	trans	-63.5	-45.5	175.1	-72	164.8	0	0	0	112.2	E221 Q222 N223 N227 R228 L229	E221-L225 HydrophobicContact CG-CD1 4.34Å; E221-L225 WeakPolarHBondContact O-CG 3.35Å; E221-L225 PolarHBondContact O-N 2.88Å; Q222-L225 PolarHBondContact O-N 3.4Å; N223-L225 VanDerWaalsContact C-N 3.34Å; L225-N227 VanDerWaalsContact C-N 3.34Å; L225-N227 PolarHBondContact O-N 3.14Å; L225-R228 PolarHBondContact O-N 3.45Å; L225-L229 PolarHBondContact O-N 3.28Å
226	I	69.1	Low	67.8	Low	22 Å²	22	78.8 Å²	78.8	11%	0.113	38%	0.376	C	S	.	.	H	α-helix	trans	-59.5	-44.9	176.1	-72.1	163.2	0	0	0	111	T198 I201 Q222 N223 R228 L229 N230	T198-I226 HydrophobicContact CG2-CD1 4.5Å; T198-I226 HydrophobicContact CG2-CG1 4.08Å; T198-I226 HydrophobicContact CG2-CG2 4.04Å; T198-I226 WeakPolarHBondContact O-CG2 3.43Å; I201-I226 HydrophobicContact CD1-CD1 4.17Å; I201-I226 HydrophobicContact CG1-CD1 4.02Å; Q222-I226 VanDerWaalsContact O-CG1 3.28Å; Q222-I226 WeakPolarHBondContact O-CG1 3.49Å; Q222-I226 PolarHBondContact O-N 3.41Å; N223-I226 PolarHBondContact O-N 3.5Å; I226-R228 PolarHBondContact O-N 2.98Å; I226-L229 PolarHBondContact O-N 3.1Å; I226-N230 WeakPolarHBondContact O-CB 3.01Å; I226-N230 VanDerWaalsContact O-CG 3.26Å; I226-N230 PolarHBondContact O-N 2.76Å; I226-N230 PolarHBondContact O-ND2 3.22Å
227	N	73.4	Confident	67.3	Low	100 Å²	100	77.7 Å²	77.7	54%	0.535	37%	0.366	S	S	.	.	H	α-helix	trans	-64.8	-39.3	178.2	-72.8	-23.9	0	0	0	112.1	N223 R224 L225 N230 L231	N223-N227 WeakPolarHBondContact O-CB 3.4Å; N223-N227 VanDerWaalsContact O-CG 3.25Å; N223-N227 PolarHBondContact O-N 2.94Å; N223-N227 PolarHBondContact O-ND2 3.19Å; R224-N227 PolarHBondContact O-N 3.19Å; L225-N227 VanDerWaalsContact C-N 3.34Å; L225-N227 PolarHBondContact O-N 3.14Å; N227-N230 PolarHBondContact O-N 3.35Å; N227-L231 PolarHBondContact O-N 3.42Å
228	R	72	Confident	66.8	Low	147 Å²	147	80.4 Å²	80.4	56%	0.555	38%	0.383	S	S	*	.	H	α-helix	trans	-62.3	-46.5	175.1	-170.2	-179.1	-60.4	137.4	5	111.5	R224 L225 I226 N230 L231 E232	R224-R228 WeakPolarHBondContact O-CB 3.46Å; R224-R228 PolarHBondContact O-N 3.47Å; L225-R228 PolarHBondContact O-N 3.45Å; I226-R228 PolarHBondContact O-N 2.98Å; R228-N230 PolarHBondContact O-N 2.93Å; R228-L231 WeakPolarHBondContact O-CB 3.31Å; R228-L231 PolarHBondContact O-N 2.8Å; R228-E232 PolarHBondContact O-N 3.23Å
229	L	71	Confident	65.5	Low	78 Å²	78	79 Å²	79	41%	0.408	38%	0.376	S	S	.	.	H	α-helix	trans	-59.8	-45.8	176.6	-179.5	68.7	0	0	0	111.7	L225 I226 L231 E232 I233	L225-L229 PolarHBondContact O-N 3.28Å; I226-L229 PolarHBondContact O-N 3.1Å; L229-L231 VanDerWaalsContact C-N 3.29Å; L229-L231 PolarHBondContact O-N 3.45Å; L229-E232 PolarHBondContact O-N 2.99Å; L229-I233 HydrophobicContact CG-CD1 4.2Å; L229-I233 WeakPolarHBondContact O-CG1 3.48Å; L229-I233 PolarHBondContact O-N 2.87Å
230	N	75.5	Confident	64.3	Low	18 Å²	18	76.5 Å²	76.5	10%	0.096	37%	0.371	C	S	.	.	H	α-helix	trans	-61.8	-37.8	177.8	-72.7	-28.4	0	0	0	112.1	K197 T198 I226 N227 R228 Q234	K197-N230 WeakPolarHBondContact CA-OD1 3.24Å; K197-N230 HydrophobicContact CG-CB 4.31Å; K197-N230 WeakPolarHBondContact CG-ND2 3.22Å; K197-N230 WeakPolarHBondContact CG-OD1 3.49Å; T198-N230 PolarHBondContact N-OD1 2.82Å; T198-N230 PolarHBondContact O-ND2 3.34Å; I226-N230 WeakPolarHBondContact O-CB 3.01Å; I226-N230 VanDerWaalsContact O-CG 3.26Å; I226-N230 PolarHBondContact O-N 2.76Å; I226-N230 PolarHBondContact O-ND2 3.22Å; N227-N230 PolarHBondContact O-N 3.35Å; R228-N230 PolarHBondContact O-N 2.93Å; N230-Q234 PolarHBondContact O-N 2.8Å
231	L	67.5	Low	63.1	Low	97 Å²	97	86.8 Å²	86.8	51%	0.508	41%	0.409	S	S	.	.	H	α-helix	trans	-67.1	-41.2	175.6	-168.6	75.1	0	0	0	111.6	N227 R228 L229 Q234 I235	N227-L231 PolarHBondContact O-N 3.42Å; R228-L231 WeakPolarHBondContact O-CB 3.31Å; R228-L231 PolarHBondContact O-N 2.8Å; L229-L231 VanDerWaalsContact C-N 3.29Å; L229-L231 PolarHBondContact O-N 3.45Å; L231-Q234 WeakPolarHBondContact O-CB 3.39Å; L231-Q234 PolarHBondContact O-N 2.8Å; L231-I235 HydrophobicContact CD2-CD1 4.21Å; L231-I235 HydrophobicContact CG-CD1 3.93Å; L231-I235 HydrophobicContact CG-CG1 4.45Å; L231-I235 WeakPolarHBondContact O-CG1 3.46Å; L231-I235 PolarHBondContact O-N 3.4Å
232	E	67.2	Low	61.7	Low	118 Å²	118	89.9 Å²	89.9	55%	0.551	43%	0.428	S	S	*	.	H	α-helix	trans	-63.9	-41.2	178.7	-169.4	174.4	-176.1	0	0	112.2	R228 L229 Q234 I235 S236	R228-E232 PolarHBondContact O-N 3.23Å; L229-E232 PolarHBondContact O-N 2.99Å; E232-Q234 VanDerWaalsContact C-N 3.31Å; E232-Q234 PolarHBondContact O-N 3.48Å; E232-I235 PolarHBondContact O-N 3.12Å; E232-S236 VanDerWaalsContact O-CB 3.24Å; E232-S236 WeakPolarHBondContact O-CB 3.49Å; E232-S236 PolarHBondContact O-N 3.27Å; E232-S236 PolarHBondContact O-OG 2.91Å
233	I	65.5	Low	60.1	Low	48 Å²	48	88.4 Å²	88.4	25%	0.246	43%	0.425	C	S	.	.	H	α-helix	trans	-59.2	-43.5	172.1	-67.6	166.5	0	0	0	110.4	L229 R237	L229-I233 HydrophobicContact CG-CD1 4.2Å; L229-I233 WeakPolarHBondContact O-CG1 3.48Å; L229-I233 PolarHBondContact O-N 2.87Å; I233-R237 WeakPolarHBondContact O-CG 3.36Å; I233-R237 PolarHBondContact O-N 3.04Å; I233-R237 VanDerWaalsContact O-N 3.12Å
234	Q	60.3	Low	58.3	Low	124 Å²	124	91.6 Å²	91.6	58%	0.579	47%	0.465	S	S	*	.	H	α-helix	trans	-68.1	-44.5	179.5	-174	-179.8	-6.4	0	0	112.8	N230 L231 E232 R237 T238	N230-Q234 PolarHBondContact O-N 2.8Å; L231-Q234 WeakPolarHBondContact O-CB 3.39Å; L231-Q234 PolarHBondContact O-N 2.8Å; E232-Q234 VanDerWaalsContact C-N 3.31Å; E232-Q234 PolarHBondContact O-N 3.48Å; Q234-R237 PolarHBondContact O-N 3.47Å; Q234-T238 PolarHBondContact O-N 2.87Å; Q234-T238 PolarHBondContact O-OG1 2.95Å
235	I	56.5	Low	55.9	Low	76 Å²	76	93.8 Å²	93.8	39%	0.39	48%	0.481	S	S	.	.	H	α-helix	trans	-63.1	-49.3	178.1	-70.5	168.9	0	0	0	109.6	L231 E232 R237 T238 E239	L231-I235 HydrophobicContact CD2-CD1 4.21Å; L231-I235 HydrophobicContact CG-CD1 3.93Å; L231-I235 HydrophobicContact CG-CG1 4.45Å; L231-I235 WeakPolarHBondContact O-CG1 3.46Å; L231-I235 PolarHBondContact O-N 3.4Å; E232-I235 PolarHBondContact O-N 3.12Å; I235-R237 VanDerWaalsContact C-N 3.28Å; I235-R237 PolarHBondContact O-N 2.84Å; I235-T238 WeakPolarHBondContact O-CA 3.48Å; I235-T238 PolarHBondContact O-N 2.85Å; I235-E239 HydrophobicContact CG2-CG 4.12Å; I235-E239 WeakPolarHBondContact CG2-OE1 3.18Å; I235-E239 WeakPolarHBondContact O-CG 3.47Å; I235-E239 PolarHBondContact O-N 3.01Å
236	S	57.7	Low	54.6	Low	53 Å²	53	93.7 Å²	93.7	37%	0.371	48%	0.484	S	S	.	.	H	α-helix	trans	-55	-44.3	178.4	-71.1	0	0	0	0	111	E232 T238 E239 L240	E232-S236 VanDerWaalsContact O-CB 3.24Å; E232-S236 WeakPolarHBondContact O-CB 3.49Å; E232-S236 PolarHBondContact O-N 3.27Å; E232-S236 PolarHBondContact O-OG 2.91Å; S236-T238 PolarHBondContact O-N 3.47Å; S236-E239 PolarHBondContact O-N 2.74Å; S236-L240 WeakPolarHBondContact O-CB 3.37Å; S236-L240 WeakPolarHBondContact O-CD1 3.44Å; S236-L240 WeakPolarHBondContact O-CG 3.21Å; S236-L240 PolarHBondContact O-N 3.2Å
237	R	53.1	Low	53.4	Low	123 Å²	123	98 Å²	98	46%	0.464	50%	0.504	S	S	.	.	H	α-helix	trans	-62	-41	174	-77.2	178.9	176.1	-161.8	-2.3	113.4	E196 I233 Q234 I235 L240 R241	E196-R237 VanDerWaalsContact CD-NH2 3.29Å; E196-R237 IonicContact OE2-CZ 3.45Å; E196-R237 IonicContact OE2-NE 3.46Å; E196-R237 IonicContact OE2-NH2 3.9Å; E196-R237 PolarHBondContact OE2-NH2 3.49Å; I233-R237 WeakPolarHBondContact O-CG 3.36Å; I233-R237 PolarHBondContact O-N 3.04Å; I233-R237 VanDerWaalsContact O-N 3.12Å; Q234-R237 PolarHBondContact O-N 3.47Å; I235-R237 VanDerWaalsContact C-N 3.28Å; I235-R237 PolarHBondContact O-N 2.84Å; R237-L240 PolarHBondContact O-N 3.19Å; R237-R241 WeakPolarHBondContact O-CB 3.23Å; R237-R241 PolarHBondContact O-N 3.44Å
238	T	47.5	Very low	52	Low	76 Å²	76	95.1 Å²	95.1	47%	0.466	49%	0.491	S	S	.	.	H	α-helix	trans	-69.1	-40.6	-178.4	-50.9	0	0	0	0	111.2	Q234 I235 S236 R241 N242	Q234-T238 PolarHBondContact O-N 2.87Å; Q234-T238 PolarHBondContact O-OG1 2.95Å; I235-T238 WeakPolarHBondContact O-CA 3.48Å; I235-T238 PolarHBondContact O-N 2.85Å; S236-T238 PolarHBondContact O-N 3.47Å; T238-R241 PolarHBondContact O-N 3.06Å; T238-N242 PolarHBondContact O-ND2 3.17Å
239	E	43.3	Very low	50.3	Low	128 Å²	128	89.4 Å²	89.4	60%	0.598	48%	0.475	S	S	*	.	H	α-helix	trans	-69.6	-39.8	174.4	-68.4	179.8	170.4	0	0	111.8	I235 S236 R241 N242	I235-E239 HydrophobicContact CG2-CG 4.12Å; I235-E239 WeakPolarHBondContact CG2-OE1 3.18Å; I235-E239 WeakPolarHBondContact O-CG 3.47Å; I235-E239 PolarHBondContact O-N 3.01Å; S236-E239 PolarHBondContact O-N 2.74Å; E239-R241 VanDerWaalsContact C-N 3.3Å; E239-R241 PolarHBondContact O-N 3.31Å; E239-N242 PolarHBondContact O-N 2.95Å; E239-N242 VanDerWaalsContact O-N 3.17Å
240	L	38.4	Very low	49.2	Very low	70 Å²	70	89.8 Å²	89.8	37%	0.366	47%	0.471	S	S	.	.	H	α-helix	trans	-61	-37.9	174.4	-77.7	163.7	0	0	0	112	S236 R237 N242 S243	S236-L240 WeakPolarHBondContact O-CB 3.37Å; S236-L240 WeakPolarHBondContact O-CD1 3.44Å; S236-L240 WeakPolarHBondContact O-CG 3.21Å; S236-L240 PolarHBondContact O-N 3.2Å; R237-L240 PolarHBondContact O-N 3.19Å; L240-N242 PolarHBondContact O-N 3.4Å; L240-S243 PolarHBondContact O-N 3.03Å; L240-S243 PolarHBondContact O-OG 3.28Å
241	R	38.8	Very low	47.9	Very low	221 Å²	221	94.3 Å²	94.3	83%	0.834	49%	0.487	S	S	*	.	H	α-helix	trans	-65	-24.9	177	-178.6	176.2	154.6	-174.7	-6.5	113.3	R237 T238 E239	R237-R241 WeakPolarHBondContact O-CB 3.23Å; R237-R241 PolarHBondContact O-N 3.44Å; T238-R241 PolarHBondContact O-N 3.06Å; E239-R241 VanDerWaalsContact C-N 3.3Å; E239-R241 PolarHBondContact O-N 3.31Å
242	N	42.4	Very low	46.8	Very low	132 Å²	132	90.7 Å²	90.7	71%	0.706	47%	0.468	S	S	*	.	H	α-helix	trans	-94.5	-7.6	-176.3	-70.7	-21.8	0	0	0	114.4	T238 E239 L240	T238-N242 PolarHBondContact O-ND2 3.17Å; E239-N242 PolarHBondContact O-N 2.95Å; E239-N242 VanDerWaalsContact O-N 3.17Å; L240-N242 PolarHBondContact O-N 3.4Å
243	S	35.8	Very low	45.6	Very low	39 Å²	39	88 Å²	88	27%	0.273	47%	0.466	S	S	.	.	S	Bend	trans	-95.7	124.4	178.6	65.8	0	0	0	0	111.8	L240 L245 R250	L240-S243 PolarHBondContact O-N 3.03Å; L240-S243 PolarHBondContact O-OG 3.28Å; S243-L245 PolarHBondContact O-N 3.04Å; S243-R250 PolarHBondContact OG-NH1 3.44Å
244	G	36.5	Very low	45.1	Very low	94 Å²	94	89.2 Å²	89.2	97%	0.969	47%	0.473	S	S	*	.	S	Bend	trans	-69.3	31.4	-176.9	0	0	0	0	0	117
245	L	31.5	Very low	44.5	Very low	120 Å²	120	84.5 Å²	84.5	63%	0.628	45%	0.452	S	S	*	.	S	Bend	trans	-108.7	133.2	168.1	-74	166.6	0	0	0	108.6	S243 E247	S243-L245 PolarHBondContact O-N 3.04Å; L245-E247 PolarHBondContact O-N 3.36Å
246	T	42.8	Very low	44.1	Very low	84 Å²	84	83 Å²	83	52%	0.515	44%	0.444	S	S	.	.			trans	-68	130.6	178.8	48.8	0	0	0	0	111.4	P248 A249 R250	T246-P248 VanDerWaalsContact C-N 3.35Å; T246-P248 WeakPolarHBondContact O-CD 3.25Å; T246-P248 VanDerWaalsContact O-N 3.1Å; T246-A249 PolarHBondContact O-N 2.89Å; T246-R250 PolarHBondContact O-N 3.37Å
247	E	44.7	Very low	43.7	Very low	111 Å²	111	86.6 Å²	86.6	52%	0.519	46%	0.46	S	S	.	.	H	α-helix	trans	-43	-41	-172.9	-157.4	-162.4	-175.1	0	0	115.9	L245 R251	L245-E247 PolarHBondContact O-N 3.36Å; E247-R251 WeakPolarHBondContact O-CG 3.46Å; E247-R251 PolarHBondContact O-N 2.99Å; E247-R251 IonicContact OE1-CZ 3.59Å; E247-R251 IonicContact OE1-NH1 3.68Å; E247-R251 PolarHBondContact OE1-NH1 3.36Å; E247-R251 IonicContact OE1-NH2 3.6Å; E247-R251 PolarHBondContact OE1-NH2 2.9Å; E247-R251 IonicContact OE2-CZ 3.59Å; E247-R251 IonicContact OE2-NH1 3.01Å; E247-R251 IonicContact OE2-NH2 3.8Å; E247-R251 PolarHBondContact OE2-NH2 3Å
248	P	44.1	Very low	43.5	Very low	41 Å²	41	84.5 Å²	84.5	27%	0.266	46%	0.457	S	S	.	.	H	α-helix	trans	-69.2	-36.5	178.2	-19.1	34.1	0	0	0	113.6	T246 R251 V252 L286	T246-P248 VanDerWaalsContact C-N 3.35Å; T246-P248 WeakPolarHBondContact O-CD 3.25Å; T246-P248 VanDerWaalsContact O-N 3.1Å; P248-R251 PolarHBondContact O-N 3.32Å; P248-V252 WeakPolarHBondContact O-CG2 3.47Å; P248-V252 PolarHBondContact O-N 3.15Å; P248-L286 HydrophobicContact CB-CB 4.46Å; P248-L286 HydrophobicContact CB-CD2 4.13Å
249	A	36.8	Very low	43.4	Very low	27 Å²	27	87.6 Å²	87.6	22%	0.223	48%	0.476	C	S	.	.	H	α-helix	trans	-71	-34.3	-179.6	0	0	0	0	0	111.5	T246 A253	T246-A249 PolarHBondContact O-N 2.89Å; A249-A253 VanDerWaalsContact O-CB 3.25Å; A249-A253 WeakPolarHBondContact O-CB 3.49Å; A249-A253 PolarHBondContact O-N 3.26Å; A249-A253 VanDerWaalsContact O-N 3.08Å
250	R	46.9	Very low	43.7	Very low	86 Å²	86	82.7 Å²	82.7	33%	0.325	45%	0.453	S	S	.	.	H	α-helix	trans	-68.8	-44.9	172.9	-170.4	166.8	177.3	175.6	-4.6	111.5	S243 T246 V252 A253 D254	S243-R250 PolarHBondContact OG-NH1 3.44Å; T246-R250 PolarHBondContact O-N 3.37Å; R250-V252 PolarHBondContact O-N 3.18Å; R250-A253 PolarHBondContact O-N 2.9Å; R250-D254 VanDerWaalsContact CG-OD2 3.25Å; R250-D254 WeakPolarHBondContact CG-OD2 3.49Å; R250-D254 IonicContact NE-OD2 3.58Å; R250-D254 WeakPolarHBondContact O-CB 3.47Å; R250-D254 PolarHBondContact O-N 3.39Å
251	R	48.3	Very low	44.1	Very low	113 Å²	113	83.1 Å²	83.1	43%	0.426	46%	0.46	S	S	.	.	H	α-helix	trans	-58	-46.1	175.4	-79.8	-168	-80.6	-110.7	-4.8	112.5	E247 P248 L255	E247-R251 WeakPolarHBondContact O-CG 3.46Å; E247-R251 PolarHBondContact O-N 2.99Å; E247-R251 IonicContact OE1-CZ 3.59Å; E247-R251 IonicContact OE1-NH1 3.68Å; E247-R251 PolarHBondContact OE1-NH1 3.36Å; E247-R251 IonicContact OE1-NH2 3.6Å; E247-R251 PolarHBondContact OE1-NH2 2.9Å; E247-R251 IonicContact OE2-CZ 3.59Å; E247-R251 IonicContact OE2-NH1 3.01Å; E247-R251 IonicContact OE2-NH2 3.8Å; E247-R251 PolarHBondContact OE2-NH2 3Å; P248-R251 PolarHBondContact O-N 3.32Å; R251-L255 HydrophobicContact CB-CD1 4.49Å; R251-L255 WeakPolarHBondContact O-CB 3.31Å; R251-L255 VanDerWaalsContact O-CD1 3.29Å; R251-L255 WeakPolarHBondContact O-CD1 3.38Å; R251-L255 WeakPolarHBondContact O-CG 3.4Å; R251-L255 PolarHBondContact O-N 2.87Å
252	V	45.2	Very low	44.6	Very low	20 Å²	20	80.7 Å²	80.7	12%	0.121	46%	0.464	C	S	.	.	H	α-helix	trans	-70.1	-39	-179.7	176.9	0	0	0	0	111.8	P248 R250 L256 P277 L286 W384	P248-V252 WeakPolarHBondContact O-CG2 3.47Å; P248-V252 PolarHBondContact O-N 3.15Å; R250-V252 PolarHBondContact O-N 3.18Å; V252-L256 HydrophobicContact CG1-CD1 4.08Å; V252-L256 VanDerWaalsContact O-CG 3.28Å; V252-L256 WeakPolarHBondContact O-CG 3.42Å; V252-L256 PolarHBondContact O-N 3.36Å; V252-P277 HydrophobicContact CG2-CG 4.37Å; V252-L286 HydrophobicContact CG2-CD1 4.35Å; V252-W384 HydrophobicContact CG1-CZ3 4.35Å
253	A	41.5	Very low	45.1	Very low	61 Å²	61	80.1 Å²	80.1	50%	0.504	46%	0.461	S	S	.	.	H	α-helix	trans	-70.2	-42.5	-179.8	0	0	0	0	0	112.8	A249 R250	A249-A253 VanDerWaalsContact O-CB 3.25Å; A249-A253 WeakPolarHBondContact O-CB 3.49Å; A249-A253 PolarHBondContact O-N 3.26Å; A249-A253 VanDerWaalsContact O-N 3.08Å; R250-A253 PolarHBondContact O-N 2.9Å
254	D	54.4	Low	46.1	Very low	74 Å²	74	79.1 Å²	79.1	40%	0.396	45%	0.454	S	S	.	.	H	α-helix	trans	-71.1	-47.1	178.1	-66.9	-21.8	0	0	0	109.6	R250 L256 N257 I258	R250-D254 VanDerWaalsContact CG-OD2 3.25Å; R250-D254 WeakPolarHBondContact CG-OD2 3.49Å; R250-D254 IonicContact NE-OD2 3.58Å; R250-D254 WeakPolarHBondContact O-CB 3.47Å; R250-D254 PolarHBondContact O-N 3.39Å; D254-L256 PolarHBondContact O-N 3.49Å; D254-N257 CarbonylContact O-C 3.59Å; D254-N257 PolarHBondContact O-N 3.35Å; D254-I258 VanDerWaalsContact C-CD1 3.4Å; D254-I258 HydrophobicContact CB-CD1 3.75Å; D254-I258 HydrophobicContact CB-CG1 4.14Å; D254-I258 WeakPolarHBondContact O-CB 3.36Å; D254-I258 VanDerWaalsContact O-CD1 3.28Å; D254-I258 WeakPolarHBondContact O-CD1 3.45Å; D254-I258 WeakPolarHBondContact O-CG1 3.48Å; D254-I258 PolarHBondContact O-N 3.07Å
255	L	47.5	Very low	47.2	Very low	25 Å²	25	77.7 Å²	77.7	13%	0.131	43%	0.427	C	S	.	.	H	α-helix	trans	-59.7	-26.4	-178	-76.1	171.4	0	0	0	115.1	R251 I258 I272 L276	R251-L255 HydrophobicContact CB-CD1 4.49Å; R251-L255 WeakPolarHBondContact O-CB 3.31Å; R251-L255 VanDerWaalsContact O-CD1 3.29Å; R251-L255 WeakPolarHBondContact O-CD1 3.38Å; R251-L255 WeakPolarHBondContact O-CG 3.4Å; R251-L255 PolarHBondContact O-N 2.87Å; L255-I258 HydrophobicContact CD2-CD1 4.43Å; L255-I272 HydrophobicContact CD2-CB 4.11Å; L255-I272 HydrophobicContact CD2-CD1 4.29Å; L255-I272 HydrophobicContact CD2-CG1 3.95Å; L255-I272 HydrophobicContact CD2-CG2 3.25Å; L255-I272 HydrophobicContact CG-CG2 4.46Å; L255-L276 HydrophobicContact CB-CD1 4.42Å; L255-L276 HydrophobicContact CB-CD2 3.73Å; L255-L276 HydrophobicContact CB-CG 4.43Å; L255-L276 HydrophobicContact CD1-CD1 4.48Å; L255-L276 HydrophobicContact CD1-CD2 3.51Å; L255-L276 HydrophobicContact CD1-CG 3.83Å; L255-L276 HydrophobicContact CG-CD2 4.22Å
256	L	50	Low	48.7	Very low	44 Å²	44	72.2 Å²	72.2	23%	0.23	40%	0.399	C	S	.	.	H	α-helix	trans	-87.6	-13	178.2	-67.2	179.9	0	0	0	113.8	V252 D254 W384	V252-L256 HydrophobicContact CG1-CD1 4.08Å; V252-L256 VanDerWaalsContact O-CG 3.28Å; V252-L256 WeakPolarHBondContact O-CG 3.42Å; V252-L256 PolarHBondContact O-N 3.36Å; D254-L256 PolarHBondContact O-N 3.49Å; L256-W384 HydrophobicContact CD1-CE3 4.27Å; L256-W384 HydrophobicContact CD1-CZ3 3.89Å
257	N	48.8	Very low	49.2	Very low	129 Å²	129	75.8 Å²	75.8	69%	0.69	40%	0.404	S	S	*	.	H	α-helix	trans	-128.4	7.6	-176.3	-146.9	27.5	0	0	0	114	D254 V259	D254-N257 CarbonylContact O-C 3.59Å; D254-N257 PolarHBondContact O-N 3.35Å; N257-V259 PolarHBondContact O-N 2.81Å
258	I	49.2	Very low	49.8	Very low	80 Å²	80	73.6 Å²	73.6	41%	0.41	40%	0.398	S	S	.	.			trans	-74.4	124.8	-179.4	-82.2	159	0	0	0	111	D254 L255 L260	D254-I258 VanDerWaalsContact C-CD1 3.4Å; D254-I258 HydrophobicContact CB-CD1 3.75Å; D254-I258 HydrophobicContact CB-CG1 4.14Å; D254-I258 WeakPolarHBondContact O-CB 3.36Å; D254-I258 VanDerWaalsContact O-CD1 3.28Å; D254-I258 WeakPolarHBondContact O-CD1 3.45Å; D254-I258 WeakPolarHBondContact O-CG1 3.48Å; D254-I258 PolarHBondContact O-N 3.07Å; L255-I258 HydrophobicContact CD2-CD1 4.43Å; I258-L260 HydrophobicContact CG2-CB 4.42Å; I258-L260 HydrophobicContact CG2-CD2 3.83Å; I258-L260 HydrophobicContact CG2-CG 3.95Å; I258-L260 PolarHBondContact O-N 3.39Å
259	V	44.9	Very low	50.7	Low	141 Å²	141	71.9 Å²	71.9	86%	0.855	39%	0.387	S	S	*	.			trans	-73.8	104.6	150.9	178.1	0	0	0	0	106.6	N257	N257-V259 PolarHBondContact O-N 2.81Å
260	L	48.4	Very low	52	Low	25 Å²	25	75.3 Å²	75.3	13%	0.131	39%	0.394	C	S	.	.			trans	-64.2	135.8	-179.5	-78.1	168.2	0	0	0	110.1	I258 L269 I272 L395	I258-L260 HydrophobicContact CG2-CB 4.42Å; I258-L260 HydrophobicContact CG2-CD2 3.83Å; I258-L260 HydrophobicContact CG2-CG 3.95Å; I258-L260 PolarHBondContact O-N 3.39Å; L260-L269 HydrophobicContact CD1-CD2 3.4Å; L260-L269 HydrophobicContact CD2-CD2 4.14Å; L260-L269 HydrophobicContact CG-CD2 4.4Å; L260-I272 HydrophobicContact CD2-CD1 4.3Å; L260-L395 HydrophobicContact CD1-CD2 3.18Å; L260-L395 HydrophobicContact CG-CD2 4.04Å
261	P	47.1	Very low	52.5	Low	79 Å²	79	76.1 Å²	76.1	51%	0.513	41%	0.405	S	S	.	.			trans	-66.4	138.8	174	28.1	-32.8	0	0	0	109.7	N263 A264	P261-N263 WeakPolarHBondContact CB-OD1 3.42Å; P261-N263 PolarHBondContact O-N 3.36Å; P261-A264 PolarHBondContact O-N 2.65Å
262	D	49.4	Very low	53	Low	170 Å²	170	72.3 Å²	72.3	91%	0.909	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-16.3	-175.6	-69.3	-30.5	0	0	0	114
263	N	54.3	Low	53.9	Low	120 Å²	120	72.4 Å²	72.4	64%	0.642	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	1.4	-179.1	69.2	-8.9	0	0	0	114.7	P261 T265	P261-N263 WeakPolarHBondContact CB-OD1 3.42Å; P261-N263 PolarHBondContact O-N 3.36Å; N263-T265 PolarHBondContact O-N 3.34Å
264	A	56.4	Low	55	Low	17 Å²	17	77 Å²	77	14%	0.14	40%	0.403	C	S	.	.			trans	-54.5	132.5	179.4	0	0	0	0	0	111.7	P261 L269 R402	P261-A264 PolarHBondContact O-N 2.65Å; A264-L269 HydrophobicContact CB-CD2 4.24Å; A264-L269 HydrophobicContact CB-CG 4.31Å; A264-R402 PolarHBondContact O-NE 2.98Å
265	T	59.3	Low	55.4	Low	65 Å²	65	76.8 Å²	76.8	40%	0.399	41%	0.412	S	S	.	.			trans	-82.5	155.8	178.2	77.7	0	0	0	0	110.5	N263 Y267 T268 L269	N263-T265 PolarHBondContact O-N 3.34Å; T265-Y267 PolarHBondContact O-N 3.09Å; T265-T268 PolarHBondContact O-N 2.87Å; T265-T268 PolarHBondContact OG1-N 2.86Å; T265-T268 PolarHBondContact OG1-OG1 3.31Å; T265-L269 WeakPolarHBondContact O-CG 3.42Å; T265-L269 PolarHBondContact O-N 3.2Å
266	S	62.2	Low	56.2	Low	4 Å²	4	76 Å²	76	3%	0.028	41%	0.407	C	S	.	.	H	α-helix	trans	-59.9	-33.6	176.7	62	0	0	0	0	112.2	L269 R270 L399 L406	S266-L269 PolarHBondContact O-N 3.44Å; S266-R270 PolarHBondContact O-N 3.04Å; S266-L399 VanDerWaalsContact O-CD1 3.31Å; S266-L399 WeakPolarHBondContact O-CD1 3.07Å; S266-L406 WeakPolarHBondContact OG-CD1 2.86Å
267	Y	54.8	Low	57	Low	159 Å²	159	74.6 Å²	74.6	62%	0.624	40%	0.401	S	S	*	.	H	α-helix	trans	-61.6	-52.5	174.2	-58.7	-75.7	0	0	0	110.9	T265 L269 R270 D271	T265-Y267 PolarHBondContact O-N 3.09Å; Y267-L269 PolarHBondContact O-N 3.37Å; Y267-R270 PolarHBondContact O-N 3.44Å; Y267-D271 VanDerWaalsContact O-CG 3.27Å; Y267-D271 PolarHBondContact O-N 2.82Å
268	T	57.2	Low	57.9	Low	65 Å²	65	78.3 Å²	78.3	40%	0.399	41%	0.411	S	S	.	.	H	α-helix	trans	-56.4	-40.7	177.6	-41.9	0	0	0	0	111.6	T265 I272	T265-T268 PolarHBondContact O-N 2.87Å; T265-T268 PolarHBondContact OG1-N 2.86Å; T265-T268 PolarHBondContact OG1-OG1 3.31Å; T268-I272 HydrophobicContact CG2-CD1 4.19Å; T268-I272 WeakPolarHBondContact O-CB 3.47Å; T268-I272 WeakPolarHBondContact O-CD1 3.22Å; T268-I272 WeakPolarHBondContact O-CG1 3.48Å; T268-I272 PolarHBondContact O-N 2.94Å
269	L	61.5	Low	59.2	Low	5 Å²	5	78.6 Å²	78.6	3%	0.026	41%	0.414	C	S	.	.	H	α-helix	trans	-66.7	-37.8	177.1	-69	175.8	0	0	0	112.9	L260 A264 T265 S266 Y267 I273 L399	L260-L269 HydrophobicContact CD1-CD2 3.4Å; L260-L269 HydrophobicContact CD2-CD2 4.14Å; L260-L269 HydrophobicContact CG-CD2 4.4Å; A264-L269 HydrophobicContact CB-CD2 4.24Å; A264-L269 HydrophobicContact CB-CG 4.31Å; T265-L269 WeakPolarHBondContact O-CG 3.42Å; T265-L269 PolarHBondContact O-N 3.2Å; S266-L269 PolarHBondContact O-N 3.44Å; Y267-L269 PolarHBondContact O-N 3.37Å; L269-I273 WeakPolarHBondContact O-CD1 3.35Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.34Å; L269-I273 PolarHBondContact O-N 3.46Å; L269-I273 VanDerWaalsContact O-N 3.08Å; L269-L399 HydrophobicContact CB-CB 4.26Å; L269-L399 HydrophobicContact CB-CD1 3.87Å; L269-L399 HydrophobicContact CD1-CB 4.28Å; L269-L399 HydrophobicContact CD1-CD1 4.48Å
270	R	63.8	Low	60.7	Low	99 Å²	99	72.8 Å²	72.8	37%	0.374	38%	0.379	S	S	.	.	H	α-helix	trans	-66.3	-47.5	174.3	-79	-177.5	-158.1	152.3	0.9	111.8	S266 Y267 I272 I273 E274 L399 E403	S266-R270 PolarHBondContact O-N 3.04Å; Y267-R270 PolarHBondContact O-N 3.44Å; R270-I272 PolarHBondContact O-N 2.84Å; R270-I273 PolarHBondContact O-N 2.92Å; R270-E274 PolarHBondContact O-N 2.83Å; R270-L399 HydrophobicContact CG-CD1 3.94Å; R270-L399 HydrophobicContact CG-CD2 3.71Å; R270-E403 IonicContact CZ-OE1 2.78Å; R270-E403 VanDerWaalsContact CZ-OE1 3.27Å; R270-E403 IonicContact NE-OE1 3.38Å; R270-E403 PolarHBondContact NE-OE1 3.02Å; R270-E403 VanDerWaalsContact NE-OE1 3.09Å; R270-E403 IonicContact NH2-OE1 3.61Å; R270-E403 PolarHBondContact NH2-OE1 3.1Å
271	D	58.1	Low	62.1	Low	104 Å²	104	74.8 Å²	74.8	56%	0.556	39%	0.39	S	S	*	.	H	α-helix	trans	-58.9	-42.1	-179.5	-61.7	-23.3	0	0	0	110.6	Y267 E274 A275	Y267-D271 VanDerWaalsContact O-CG 3.27Å; Y267-D271 PolarHBondContact O-N 2.82Å; D271-E274 PolarHBondContact O-N 3.15Å; D271-A275 VanDerWaalsContact O-CB 3.28Å; D271-A275 WeakPolarHBondContact O-CB 3.45Å; D271-A275 PolarHBondContact O-N 3.01Å
272	I	58.7	Low	63.4	Low	33 Å²	33	73 Å²	73	17%	0.169	38%	0.382	C	S	.	.	H	α-helix	trans	-57.1	-50.8	172.1	-76.9	169.8	0	0	0	111.4	L255 L260 T268 R270 E274 A275 L276 L395	L255-I272 HydrophobicContact CD2-CB 4.11Å; L255-I272 HydrophobicContact CD2-CD1 4.29Å; L255-I272 HydrophobicContact CD2-CG1 3.95Å; L255-I272 HydrophobicContact CD2-CG2 3.25Å; L255-I272 HydrophobicContact CG-CG2 4.46Å; L260-I272 HydrophobicContact CD2-CD1 4.3Å; T268-I272 HydrophobicContact CG2-CD1 4.19Å; T268-I272 WeakPolarHBondContact O-CB 3.47Å; T268-I272 WeakPolarHBondContact O-CD1 3.22Å; T268-I272 WeakPolarHBondContact O-CG1 3.48Å; T268-I272 PolarHBondContact O-N 2.94Å; R270-I272 PolarHBondContact O-N 2.84Å; I272-E274 VanDerWaalsContact C-N 3.34Å; I272-E274 PolarHBondContact O-N 3.43Å; I272-A275 PolarHBondContact O-N 3.44Å; I272-L276 WeakPolarHBondContact O-CG 3.47Å; I272-L276 PolarHBondContact O-N 2.8Å; I272-L395 HydrophobicContact CG2-CD1 4.18Å
273	I	64.2	Low	64.5	Low	22 Å²	22	64.9 Å²	64.9	11%	0.113	34%	0.339	C	S	.	.	H	α-helix	trans	-65.2	-37.6	-178.1	-71.1	165.7	0	0	0	111.4	L269 R270 L276 L392 L395 R396 L399	L269-I273 WeakPolarHBondContact O-CD1 3.35Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.34Å; L269-I273 PolarHBondContact O-N 3.46Å; L269-I273 VanDerWaalsContact O-N 3.08Å; R270-I273 PolarHBondContact O-N 2.92Å; I273-L276 PolarHBondContact O-N 2.76Å; I273-L392 HydrophobicContact CG2-CD2 4.47Å; I273-L395 HydrophobicContact CD1-CB 4.29Å; I273-L395 HydrophobicContact CG1-CB 4.24Å; I273-R396 HydrophobicContact CD1-CG 4.08Å; I273-L399 HydrophobicContact CD1-CB 4.4Å; I273-L399 HydrophobicContact CD1-CD2 3.94Å
274	E	65.8	Low	65.7	Low	156 Å²	156	59.3 Å²	59.3	73%	0.729	31%	0.309	S	S	*	.	H	α-helix	trans	-73.3	-32.9	179.9	-73.5	-171.6	179.2	0	0	113	R270 D271 I272 L276	R270-E274 PolarHBondContact O-N 2.83Å; D271-E274 PolarHBondContact O-N 3.15Å; I272-E274 VanDerWaalsContact C-N 3.34Å; I272-E274 PolarHBondContact O-N 3.43Å; E274-L276 VanDerWaalsContact C-N 3.26Å; E274-L276 PolarHBondContact O-N 2.73Å
275	A	61.9	Low	66.8	Low	70 Å²	70	63.3 Å²	63.3	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-73	-18.3	176.2	0	0	0	0	0	113.2	D271 I272	D271-A275 VanDerWaalsContact O-CB 3.28Å; D271-A275 WeakPolarHBondContact O-CB 3.45Å; D271-A275 PolarHBondContact O-N 3.01Å; I272-A275 PolarHBondContact O-N 3.44Å
276	L	64.9	Low	67.3	Low	8 Å²	8	63 Å²	63	4%	0.042	32%	0.319	C	S	.	.	S	Bend	trans	-74.3	138.5	-179.5	-78.6	171.2	0	0	0	112.1	L255 I272 I273 E274 K278 L392 L395	L255-L276 HydrophobicContact CB-CD1 4.42Å; L255-L276 HydrophobicContact CB-CD2 3.73Å; L255-L276 HydrophobicContact CB-CG 4.43Å; L255-L276 HydrophobicContact CD1-CD1 4.48Å; L255-L276 HydrophobicContact CD1-CD2 3.51Å; L255-L276 HydrophobicContact CD1-CG 3.83Å; L255-L276 HydrophobicContact CG-CD2 4.22Å; I272-L276 WeakPolarHBondContact O-CG 3.47Å; I272-L276 PolarHBondContact O-N 2.8Å; I273-L276 PolarHBondContact O-N 2.76Å; E274-L276 VanDerWaalsContact C-N 3.26Å; E274-L276 PolarHBondContact O-N 2.73Å; L276-K278 PolarHBondContact O-N 3.32Å; L276-L392 HydrophobicContact CB-CD2 4.42Å; L276-L392 HydrophobicContact CD1-CD1 4.47Å; L276-L392 HydrophobicContact CD1-CD2 3.91Å; L276-L392 HydrophobicContact CD1-CG 3.99Å; L276-L395 HydrophobicContact CD1-CD1 4.12Å
277	P	65.9	Low	67.7	Low	16 Å²	16	64.3 Å²	64.3	10%	0.104	33%	0.326	C	S	.	.			trans	-57.9	131.8	174.4	-19.4	29.2	0	0	0	110.9	V252 D279 A282 A283 L286 W384	V252-P277 HydrophobicContact CG2-CG 4.37Å; P277-D279 VanDerWaalsContact C-N 3.33Å; P277-A282 HydrophobicContact CB-CB 4.05Å; P277-A283 HydrophobicContact CB-CB 3.74Å; P277-A283 HydrophobicContact CG-CB 3.74Å; P277-L286 HydrophobicContact CG-CD1 3.96Å; P277-W384 HydrophobicContact CB-CH2 4.26Å; P277-W384 HydrophobicContact CG-CH2 4.34Å; P277-W384 WeakPolarHBondContact O-CZ2 3.36Å
278	K	67.8	Low	68.6	Low	207 Å²	207	60.8 Å²	60.8	90%	0.9	33%	0.325	S	S	*	.	S	Bend	trans	-72.1	-28.3	-179.8	-64.7	-176.1	-178.5	178.7	0	112.9	L276	L276-K278 PolarHBondContact O-N 3.32Å
279	D	76.6	Confident	69.6	Low	86 Å²	86	61.6 Å²	61.6	46%	0.46	33%	0.327	S	S	.	.	S	Bend	trans	-129.7	160.7	-178.6	69.5	58.2	0	0	0	112.6	P277 N281 A282 A283	P277-D279 VanDerWaalsContact C-N 3.33Å; D279-N281 VanDerWaalsContact C-N 3.29Å; D279-N281 PolarHBondContact O-N 3.26Å; D279-N281 PolarHBondContact OD1-N 2.63Å; D279-A282 WeakPolarHBondContact OD1-CB 3.35Å; D279-A282 PolarHBondContact OD1-N 2.84Å; D279-A283 PolarHBondContact O-N 3.18Å
280	S	77.2	Confident	70.6	Confident	19 Å²	19	61.4 Å²	61.4	13%	0.133	33%	0.326	C	S	.	.	H	α-helix	trans	-63.1	-32.5	-176.8	55.2	0	0	0	0	113	A283 W284 F380	S280-A283 PolarHBondContact O-N 2.85Å; S280-W284 WeakPolarHBondContact O-CB 3.37Å; S280-W284 PolarHBondContact O-N 2.95Å; S280-F380 WeakPolarHBondContact O-CD1 3.48Å; S280-F380 WeakPolarHBondContact O-CE1 3.43Å
281	N	76.7	Confident	71.5	Confident	67 Å²	67	60.7 Å²	60.7	36%	0.358	33%	0.328	S	S	.	.	H	α-helix	trans	-75.4	-42.7	-176	-171.5	19.3	0	0	0	111.1	D279 A283 W284 K285 Q377	D279-N281 VanDerWaalsContact C-N 3.29Å; D279-N281 PolarHBondContact O-N 3.26Å; D279-N281 PolarHBondContact OD1-N 2.63Å; N281-A283 VanDerWaalsContact C-N 3.28Å; N281-A283 PolarHBondContact O-N 3.02Å; N281-W284 PolarHBondContact O-N 3.23Å; N281-K285 WeakPolarHBondContact O-CG 3.44Å; N281-K285 PolarHBondContact O-N 3.39Å; N281-Q377 PolarHBondContact OD1-NE2 3.21Å
282	A	74.1	Confident	72.7	Confident	40 Å²	40	59.3 Å²	59.3	33%	0.331	33%	0.326	S	S	.	.	H	α-helix	trans	-58.3	-43.1	172.1	0	0	0	0	0	110.8	P277 D279 L286	P277-A282 HydrophobicContact CB-CB 4.05Å; D279-A282 WeakPolarHBondContact OD1-CB 3.35Å; D279-A282 PolarHBondContact OD1-N 2.84Å; A282-L286 WeakPolarHBondContact O-CG 3.38Å
283	A	73.8	Confident	74.1	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.008	32%	0.323	C	S	.	.	H	α-helix	trans	-64.8	-44.3	174.9	0	0	0	0	0	112.7	P277 D279 S280 N281 K285 L286 F380 W384	P277-A283 HydrophobicContact CB-CB 3.74Å; P277-A283 HydrophobicContact CG-CB 3.74Å; D279-A283 PolarHBondContact O-N 3.18Å; S280-A283 PolarHBondContact O-N 2.85Å; N281-A283 VanDerWaalsContact C-N 3.28Å; N281-A283 PolarHBondContact O-N 3.02Å; A283-K285 VanDerWaalsContact C-N 3.31Å; A283-K285 PolarHBondContact O-N 3.45Å; A283-L286 WeakPolarHBondContact O-CB 3.37Å; A283-L286 PolarHBondContact O-N 2.97Å; A283-L286 VanDerWaalsContact O-N 3.11Å; A283-F380 HydrophobicContact CB-CE1 3.58Å; A283-F380 HydrophobicContact CB-CZ 3.57Å; A283-W384 HydrophobicContact CB-CD2 4.21Å; A283-W384 HydrophobicContact CB-CE3 3.64Å; A283-W384 HydrophobicContact CB-CH2 3.71Å; A283-W384 HydrophobicContact CB-CZ2 4.26Å; A283-W384 HydrophobicContact CB-CZ3 3.35Å
284	W	79.6	Confident	75.2	Confident	3 Å²	3	60.9 Å²	60.9	1%	0.011	33%	0.333	C	S	.	.	H	α-helix	trans	-58.6	-42.8	179	175.2	75.3	0	0	0	111.9	S280 N281 L286 T287 A290 M294 I373 S376 Q377 F380	S280-W284 WeakPolarHBondContact O-CB 3.37Å; S280-W284 PolarHBondContact O-N 2.95Å; N281-W284 PolarHBondContact O-N 3.23Å; W284-L286 PolarHBondContact O-N 3.22Å; W284-L286 VanDerWaalsContact O-N 3.11Å; W284-T287 WeakPolarHBondContact O-CB 3.32Å; W284-T287 WeakPolarHBondContact O-CG2 3.24Å; W284-T287 PolarHBondContact O-N 3.49Å; W284-T287 PolarHBondContact O-OG1 3.45Å; W284-A290 HydrophobicContact CD2-CB 3.73Å; W284-A290 HydrophobicContact CE3-CB 3.96Å; W284-A290 HydrophobicContact CG-CB 4.37Å; W284-A290 HydrophobicContact CH2-CB 3.77Å; W284-A290 HydrophobicContact CZ2-CB 3.56Å; W284-A290 HydrophobicContact CZ3-CB 3.97Å; W284-A290 WeakPolarHBondContact O-CB 3.4Å; W284-M294 HydrophobicContact CH2-CE 4.09Å; W284-M294 HydrophobicContact CZ3-CE 3.65Å; W284-I373 HydrophobicContact CH2-CB 4.29Å; W284-I373 HydrophobicContact CH2-CD1 4.48Å; W284-I373 HydrophobicContact CH2-CG1 4.13Å; W284-I373 HydrophobicContact CH2-CG2 3.55Å; W284-I373 HydrophobicContact CZ2-CG1 4.44Å; W284-I373 HydrophobicContact CZ2-CG2 4.09Å; W284-I373 HydrophobicContact CZ3-CG2 4.29Å; W284-S376 PolarHBondContact NE1-OG 3.17Å; W284-Q377 HydrophobicContact CD2-CB 4.47Å; W284-Q377 HydrophobicContact CD2-CG 3.36Å; W284-Q377 VanDerWaalsContact CE2-CG 3.46Å; W284-Q377 HydrophobicContact CE3-CG 3.5Å; W284-Q377 VanDerWaalsContact CE3-CG 3.5Å; W284-Q377 VanDerWaalsContact CE3-NE2 3.26Å; W284-Q377 HydrophobicContact CG-CG 3.98Å; W284-Q377 HydrophobicContact CH2-CG 3.88Å; W284-Q377 HydrophobicContact CZ2-CG 3.73Å; W284-Q377 HydrophobicContact CZ3-CG 3.76Å; W284-F380 HydrophobicContact CB-CB 4.35Å; W284-F380 HydrophobicContact CB-CD1 3.57Å; W284-F380 HydrophobicContact CB-CD2 4.48Å; W284-F380 HydrophobicContact CB-CE1 3.99Å; W284-F380 HydrophobicContact CB-CG 3.86Å; W284-F380 AromaticContact CD1-CG 3.74Å; W284-F380 HydrophobicContact CG-CB 4.26Å; W284-F380 HydrophobicContact CG-CD1 4.36Å; W284-F380 HydrophobicContact CG-CG 4.2Å
285	K	78.6	Confident	76.3	Confident	101 Å²	101	56 Å²	56	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-61.7	-20.1	179.8	-71.3	178.8	-176.7	175.4	0	113.9	N281 A283 T287 M294	N281-K285 WeakPolarHBondContact O-CG 3.44Å; N281-K285 PolarHBondContact O-N 3.39Å; A283-K285 VanDerWaalsContact C-N 3.31Å; A283-K285 PolarHBondContact O-N 3.45Å; K285-T287 VanDerWaalsContact C-N 3.34Å; K285-M294 HydrophobicContact CG-CE 4Å
286	L	70.2	Confident	77.6	Confident	59 Å²	59	55.4 Å²	55.4	31%	0.309	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.2	176.6	-61.6	172.2	0	0	0	112.8	P248 V252 P277 A282 A283 W284	P248-L286 HydrophobicContact CB-CB 4.46Å; P248-L286 HydrophobicContact CB-CD2 4.13Å; V252-L286 HydrophobicContact CG2-CD1 4.35Å; P277-L286 HydrophobicContact CG-CD1 3.96Å; A282-L286 WeakPolarHBondContact O-CG 3.38Å; A283-L286 WeakPolarHBondContact O-CB 3.37Å; A283-L286 PolarHBondContact O-N 2.97Å; A283-L286 VanDerWaalsContact O-N 3.11Å; W284-L286 PolarHBondContact O-N 3.22Å; W284-L286 VanDerWaalsContact O-N 3.11Å
287	T	71	Confident	78.9	Confident	30 Å²	30	56 Å²	56	18%	0.184	31%	0.31	C	S	.	.	S	Bend	trans	-76.1	146.3	178.5	68.2	0	0	0	0	111.5	W284 K285 N289 A290 M291 F380	W284-T287 WeakPolarHBondContact O-CB 3.32Å; W284-T287 WeakPolarHBondContact O-CG2 3.24Å; W284-T287 PolarHBondContact O-N 3.49Å; W284-T287 PolarHBondContact O-OG1 3.45Å; K285-T287 VanDerWaalsContact C-N 3.34Å; T287-N289 PolarHBondContact O-N 2.96Å; T287-A290 PolarHBondContact O-N 3.02Å; T287-A290 VanDerWaalsContact OG1-CB 3.3Å; T287-A290 WeakPolarHBondContact OG1-CB 3.38Å; T287-A290 PolarHBondContact OG1-N 3.49Å; T287-A290 VanDerWaalsContact OG1-N 3.17Å; T287-M291 PolarHBondContact O-N 3.01Å; T287-F380 HydrophobicContact CG2-CD2 3.88Å; T287-F380 HydrophobicContact CG2-CE2 3.53Å; T287-F380 HydrophobicContact CG2-CZ 4.35Å
288	S	73.8	Confident	80.2	Confident	86 Å²	86	60.7 Å²	60.7	60%	0.601	33%	0.33	S	S	*	.	H	α-helix	trans	-57.5	-36	174.8	57.1	0	0	0	0	112	S292	S288-S292 WeakPolarHBondContact O-CB 3.29Å; S288-S292 PolarHBondContact O-N 3.31Å
289	N	78.6	Confident	81.3	Confident	82 Å²	82	53.3 Å²	53.3	44%	0.439	31%	0.308	S	S	.	.	H	α-helix	trans	-64.1	-49.9	177.3	-164.5	39	0	0	0	111.2	T287 M291 S292 M293 S376	T287-N289 PolarHBondContact O-N 2.96Å; N289-M291 VanDerWaalsContact C-N 3.35Å; N289-M291 PolarHBondContact O-N 2.87Å; N289-S292 PolarHBondContact O-N 2.98Å; N289-M293 WeakPolarHBondContact O-CG 3.5Å; N289-M293 PolarHBondContact O-N 3.32Å; N289-S376 PolarHBondContact ND2-OG 3.36Å; N289-S376 VanDerWaalsContact ND2-OG 3.08Å
290	A	81.6	Confident	82.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-45.5	177.2	0	0	0	0	0	111.9	W284 T287 S292 M293 M294	W284-A290 HydrophobicContact CD2-CB 3.73Å; W284-A290 HydrophobicContact CE3-CB 3.96Å; W284-A290 HydrophobicContact CG-CB 4.37Å; W284-A290 HydrophobicContact CH2-CB 3.77Å; W284-A290 HydrophobicContact CZ2-CB 3.56Å; W284-A290 HydrophobicContact CZ3-CB 3.97Å; W284-A290 WeakPolarHBondContact O-CB 3.4Å; T287-A290 PolarHBondContact O-N 3.02Å; T287-A290 VanDerWaalsContact OG1-CB 3.3Å; T287-A290 WeakPolarHBondContact OG1-CB 3.38Å; T287-A290 PolarHBondContact OG1-N 3.49Å; T287-A290 VanDerWaalsContact OG1-N 3.17Å; A290-S292 PolarHBondContact O-N 3.2Å; A290-M293 PolarHBondContact O-N 3.08Å; A290-M294 WeakPolarHBondContact O-CB 3.48Å; A290-M294 VanDerWaalsContact O-CG 3.29Å; A290-M294 WeakPolarHBondContact O-CG 3.31Å; A290-M294 PolarHBondContact O-N 3.42Å
291	M	83.3	Confident	82.9	Confident	84 Å²	84	55.5 Å²	55.5	41%	0.414	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-43.3	177.7	-72.3	-174.6	165.1	0	0	112.2	T287 N289 M294 A295	T287-M291 PolarHBondContact O-N 3.01Å; N289-M291 VanDerWaalsContact C-N 3.35Å; N289-M291 PolarHBondContact O-N 2.87Å; M291-M294 PolarHBondContact O-N 3.43Å; M291-A295 VanDerWaalsContact O-CB 3.29Å; M291-A295 WeakPolarHBondContact O-CB 3.39Å; M291-A295 PolarHBondContact O-N 3.4Å
292	S	82.8	Confident	83.7	Confident	75 Å²	75	59.8 Å²	59.8	52%	0.524	32%	0.319	S	S	.	.	H	α-helix	trans	-60.3	-45.7	176.5	-176.9	0	0	0	0	111.4	S288 N289 A290 M294 A295 D296	S288-S292 WeakPolarHBondContact O-CB 3.29Å; S288-S292 PolarHBondContact O-N 3.31Å; N289-S292 PolarHBondContact O-N 2.98Å; A290-S292 PolarHBondContact O-N 3.2Å; S292-M294 PolarHBondContact O-N 2.73Å; S292-A295 PolarHBondContact O-N 3.01Å; S292-D296 WeakPolarHBondContact O-CB 3.41Å; S292-D296 PolarHBondContact O-N 3.09Å
293	M	87.5	Confident	84.8	Confident	21 Å²	21	63 Å²	63	10%	0.103	32%	0.322	C	S	.	.	H	α-helix	trans	-65.4	-40.1	177.9	-64	167.2	84.6	0	0	112.1	N289 A290 D296 M297 V368 D372 I373	N289-M293 WeakPolarHBondContact O-CG 3.5Å; N289-M293 PolarHBondContact O-N 3.32Å; A290-M293 PolarHBondContact O-N 3.08Å; M293-D296 PolarHBondContact O-N 3.07Å; M293-M297 WeakPolarHBondContact O-CG 3.22Å; M293-M297 PolarHBondContact O-N 2.97Å; M293-V368 HydrophobicContact CB-CG1 4.22Å; M293-D372 HydrophobicContact CE-CB 3.36Å; M293-D372 WeakPolarHBondContact CE-O 3.49Å; M293-I373 HydrophobicContact CB-CG1 4.2Å; M293-I373 HydrophobicContact CE-CB 4.39Å; M293-I373 HydrophobicContact CE-CG1 3.76Å; M293-I373 VanDerWaalsContact CE-N 3.33Å; M293-I373 HydrophobicContact SD-CG1 4.47Å
294	M	88.2	Confident	85.9	Confident	68 Å²	68	65.2 Å²	65.2	34%	0.335	33%	0.331	S	S	.	.	H	α-helix	trans	-66	-40	174.4	-71.3	-177.2	-171.5	0	0	112	W284 K285 A290 M291 S292 M297 Q298	W284-M294 HydrophobicContact CH2-CE 4.09Å; W284-M294 HydrophobicContact CZ3-CE 3.65Å; K285-M294 HydrophobicContact CG-CE 4Å; A290-M294 WeakPolarHBondContact O-CB 3.48Å; A290-M294 VanDerWaalsContact O-CG 3.29Å; A290-M294 WeakPolarHBondContact O-CG 3.31Å; A290-M294 PolarHBondContact O-N 3.42Å; M291-M294 PolarHBondContact O-N 3.43Å; S292-M294 PolarHBondContact O-N 2.73Å; M294-M297 PolarHBondContact O-N 3.02Å; M294-Q298 WeakPolarHBondContact O-CG 3.32Å; M294-Q298 PolarHBondContact O-N 3.41Å
295	A	87.9	Confident	86.7	Confident	53 Å²	53	69 Å²	69	44%	0.438	35%	0.348	S	S	.	.	H	α-helix	trans	-65	-42.9	175.9	0	0	0	0	0	111.3	M291 S292 Q298 A299	M291-A295 VanDerWaalsContact O-CB 3.29Å; M291-A295 WeakPolarHBondContact O-CB 3.39Å; M291-A295 PolarHBondContact O-N 3.4Å; S292-A295 PolarHBondContact O-N 3.01Å; A295-Q298 PolarHBondContact O-N 2.94Å; A295-A299 WeakPolarHBondContact O-CB 3.37Å; A295-A299 PolarHBondContact O-N 2.91Å
296	D	89.9	Confident	87.5	Confident	58 Å²	58	68.7 Å²	68.7	31%	0.31	35%	0.348	S	S	.	.	H	α-helix	trans	-61.1	-43.8	174.5	-179.3	39	0	0	0	111.5	S292 M293 Q298 A299 T300 H364	S292-D296 WeakPolarHBondContact O-CB 3.41Å; S292-D296 PolarHBondContact O-N 3.09Å; M293-D296 PolarHBondContact O-N 3.07Å; D296-Q298 PolarHBondContact O-N 2.8Å; D296-A299 PolarHBondContact O-N 3.22Å; D296-T300 VanDerWaalsContact O-CB 3.24Å; D296-T300 WeakPolarHBondContact O-CB 3.39Å; D296-T300 PolarHBondContact O-N 3.33Å; D296-T300 PolarHBondContact O-OG1 3.38Å; D296-H364 IonicContact OD1-NE2 3.48Å; D296-H364 PolarHBondContact OD1-NE2 3.15Å; D296-H364 IonicContact OD2-CD2 3.98Å; D296-H364 IonicContact OD2-CE1 3.92Å; D296-H364 PolarHBondContact OD2-CE1 3.15Å; D296-H364 IonicContact OD2-NE2 2.81Å; D296-H364 PolarHBondContact OD2-NE2 2.94Å
297	M	92.5	Very high	88.7	Confident	20 Å²	20	66 Å²	66	10%	0.099	33%	0.334	C	S	.	.	H	α-helix	trans	-59.6	-44.3	173.5	-76.7	-176.9	67.5	0	0	112.4	M293 M294 T300 R301 Y365 V368 E369 I373	M293-M297 WeakPolarHBondContact O-CG 3.22Å; M293-M297 PolarHBondContact O-N 2.97Å; M294-M297 PolarHBondContact O-N 3.02Å; M297-T300 PolarHBondContact O-N 2.96Å; M297-R301 WeakPolarHBondContact O-CB 3.29Å; M297-R301 PolarHBondContact O-N 3.44Å; M297-Y365 HydrophobicContact CB-CD2 4.21Å; M297-Y365 HydrophobicContact CB-CE2 3.86Å; M297-Y365 HydrophobicContact CE-CD1 4.25Å; M297-Y365 HydrophobicContact CE-CD2 4.3Å; M297-Y365 HydrophobicContact CE-CE1 3.55Å; M297-Y365 HydrophobicContact CE-CE2 3.63Å; M297-Y365 VanDerWaalsContact CE-OH 3.24Å; M297-Y365 WeakPolarHBondContact CE-OH 3.31Å; M297-Y365 HydrophobicContact CG-CD2 4.41Å; M297-Y365 HydrophobicContact CG-CE2 4.29Å; M297-Y365 WeakPolarHBondContact O-CD2 3.34Å; M297-Y365 WeakPolarHBondContact O-CE2 3.26Å; M297-V368 HydrophobicContact CG-CB 3.96Å; M297-V368 HydrophobicContact CG-CG1 3.53Å; M297-V368 HydrophobicContact SD-CB 4.47Å; M297-V368 HydrophobicContact SD-CG1 3.91Å; M297-E369 HydrophobicContact CE-CB 3.62Å; M297-E369 HydrophobicContact CE-CG 3.9Å; M297-E369 HydrophobicContact SD-CB 4.27Å; M297-I373 HydrophobicContact SD-CD1 3.3Å; M297-I373 WeakPolarHBondContact SD-CD1 3.34Å; M297-I373 HydrophobicContact SD-CG1 4.5Å
298	Q	92	Very high	89.8	Confident	115 Å²	115	65.6 Å²	65.6	54%	0.537	33%	0.331	S	S	.	.	H	α-helix	trans	-65.2	-43.4	177.6	-73.9	-178	3	0	0	112	M294 A295 D296 R301 R302	M294-Q298 WeakPolarHBondContact O-CG 3.32Å; M294-Q298 PolarHBondContact O-N 3.41Å; A295-Q298 PolarHBondContact O-N 2.94Å; D296-Q298 PolarHBondContact O-N 2.8Å; Q298-R301 PolarHBondContact O-N 3Å; Q298-R302 WeakPolarHBondContact O-CG 3.18Å; Q298-R302 PolarHBondContact O-N 3.42Å
299	A	91.9	Very high	90.8	Very high	52 Å²	52	65 Å²	65	43%	0.43	32%	0.324	S	S	.	.	H	α-helix	trans	-63	-45.2	177	0	0	0	0	0	111.3	A295 D296 R301 R302 R303	A295-A299 WeakPolarHBondContact O-CB 3.37Å; A295-A299 PolarHBondContact O-N 2.91Å; D296-A299 PolarHBondContact O-N 3.22Å; A299-R301 VanDerWaalsContact C-N 3.32Å; A299-R301 PolarHBondContact O-N 3.19Å; A299-R302 PolarHBondContact O-N 2.84Å; A299-R303 WeakPolarHBondContact O-CB 3.22Å; A299-R303 PolarHBondContact O-N 3.11Å
300	T	93.5	Very high	91.6	Very high	9 Å²	9	64.6 Å²	64.6	6%	0.055	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-43	176	-61.9	0	0	0	0	111.5	D296 M297 W304 L361 H364 Y365	D296-T300 VanDerWaalsContact O-CB 3.24Å; D296-T300 WeakPolarHBondContact O-CB 3.39Å; D296-T300 PolarHBondContact O-N 3.33Å; D296-T300 PolarHBondContact O-OG1 3.38Å; M297-T300 PolarHBondContact O-N 2.96Å; T300-W304 WeakPolarHBondContact O-CB 3.24Å; T300-W304 PolarHBondContact O-N 3.14Å; T300-L361 HydrophobicContact CG2-CB 4.11Å; T300-L361 HydrophobicContact CG2-CD2 4.1Å; T300-L361 WeakPolarHBondContact CG2-O 3.45Å; T300-H364 PolarHBondContact OG1-CD2 2.9Å; T300-H364 VanDerWaalsContact OG1-CD2 3.3Å; T300-Y365 HydrophobicContact CG2-CD2 4.4Å
301	R	93.1	Very high	92.3	Very high	141 Å²	141	67.7 Å²	67.7	53%	0.532	33%	0.331	S	S	.	.	H	α-helix	trans	-64.3	-47.7	176.6	179.4	175.9	175.2	168.8	1	112.1	M297 Q298 A299 R303 W304 E305 Y365	M297-R301 WeakPolarHBondContact O-CB 3.29Å; M297-R301 PolarHBondContact O-N 3.44Å; Q298-R301 PolarHBondContact O-N 3Å; A299-R301 VanDerWaalsContact C-N 3.32Å; A299-R301 PolarHBondContact O-N 3.19Å; R301-R303 VanDerWaalsContact C-N 3.33Å; R301-R303 PolarHBondContact O-N 2.9Å; R301-W304 WeakPolarHBondContact O-CB 3.1Å; R301-W304 PolarHBondContact O-N 3.46Å; R301-W304 VanDerWaalsContact O-N 3.17Å; R301-E305 WeakPolarHBondContact CG-OE1 3.21Å; R301-E305 IonicContact CZ-OE1 2.8Å; R301-E305 IonicContact NE-OE1 3.27Å; R301-E305 PolarHBondContact NE-OE1 2.66Å; R301-E305 IonicContact NH2-OE1 3.55Å; R301-E305 WeakPolarHBondContact O-CG 3.36Å; R301-E305 PolarHBondContact O-N 3.32Å; R301-Y365 HydrophobicContact CB-CD2 4.42Å; R301-Y365 HydrophobicContact CB-CE2 4.13Å
302	R	94.6	Very high	92.8	Very high	158 Å²	158	69.6 Å²	69.6	60%	0.596	34%	0.337	S	S	*	.	H	α-helix	trans	-58.5	-46.9	176.8	-74.8	179	-173.9	162.4	4.1	111.1	Q298 A299 W304 E305 E306	Q298-R302 WeakPolarHBondContact O-CG 3.18Å; Q298-R302 PolarHBondContact O-N 3.42Å; A299-R302 PolarHBondContact O-N 2.84Å; R302-W304 VanDerWaalsContact C-N 3.26Å; R302-W304 PolarHBondContact O-N 3.33Å; R302-E305 WeakPolarHBondContact O-CB 3.17Å; R302-E305 PolarHBondContact O-N 2.85Å; R302-E306 WeakPolarHBondContact O-CG 3.34Å; R302-E306 PolarHBondContact O-N 3.2Å
303	R	96	Very high	93.3	Very high	106 Å²	106	72 Å²	72	40%	0.4	34%	0.34	S	S	.	.	H	α-helix	trans	-61	-37.4	177.8	-172.2	59.7	-178.8	154	4.4	112.1	A299 R301 E306 L307 L361	A299-R303 WeakPolarHBondContact O-CB 3.22Å; A299-R303 PolarHBondContact O-N 3.11Å; R301-R303 VanDerWaalsContact C-N 3.33Å; R301-R303 PolarHBondContact O-N 2.9Å; R303-E306 WeakPolarHBondContact CD-OE2 3.47Å; R303-E306 IonicContact CZ-OE2 3.76Å; R303-E306 IonicContact NH1-OE2 3.42Å; R303-E306 PolarHBondContact NH1-OE2 3.43Å; R303-L307 WeakPolarHBondContact O-CG 3.25Å; R303-L307 PolarHBondContact O-N 3.44Å; R303-L307 VanDerWaalsContact O-N 3.11Å; R303-L361 HydrophobicContact CB-CD1 4.1Å; R303-L361 HydrophobicContact CG-CD1 3.76Å; R303-L361 HydrophobicContact CG-CD2 4.43Å
304	W	97.2	Very high	93.5	Very high	49 Å²	49	71.1 Å²	71.1	19%	0.186	34%	0.336	C	S	.	.	H	α-helix	trans	-65.2	-40.5	174.8	-174.9	91.6	0	0	0	112.3	T300 R301 R302 L307 N308 M358 L361	T300-W304 WeakPolarHBondContact O-CB 3.24Å; T300-W304 PolarHBondContact O-N 3.14Å; R301-W304 WeakPolarHBondContact O-CB 3.1Å; R301-W304 PolarHBondContact O-N 3.46Å; R301-W304 VanDerWaalsContact O-N 3.17Å; R302-W304 VanDerWaalsContact C-N 3.26Å; R302-W304 PolarHBondContact O-N 3.33Å; W304-L307 PolarHBondContact O-N 2.96Å; W304-N308 HydrophobicContact CE3-CB 4.39Å; W304-N308 HydrophobicContact CH2-CB 4.16Å; W304-N308 HydrophobicContact CZ3-CB 4.1Å; W304-N308 WeakPolarHBondContact O-CB 3.47Å; W304-N308 PolarHBondContact O-N 2.74Å; W304-M358 VanDerWaalsContact CD1-O 3.27Å; W304-M358 HydrophobicContact CD2-CE 4.19Å; W304-M358 HydrophobicContact CH2-CE 4.02Å; W304-M358 HydrophobicContact CZ2-CE 3.23Å; W304-M358 PolarHBondContact NE1-O 3.24Å; W304-L361 HydrophobicContact CB-CB 4.39Å; W304-L361 HydrophobicContact CB-CD1 4.12Å
305	E	95.8	Very high	93.6	Very high	81 Å²	81	72.5 Å²	72.5	38%	0.379	34%	0.343	S	S	.	.	H	α-helix	trans	-65.3	-40.6	177.5	-71.5	169	-177	0	0	111.9	R301 R302 N308 T309	R301-E305 WeakPolarHBondContact CG-OE1 3.21Å; R301-E305 IonicContact CZ-OE1 2.8Å; R301-E305 IonicContact NE-OE1 3.27Å; R301-E305 PolarHBondContact NE-OE1 2.66Å; R301-E305 IonicContact NH2-OE1 3.55Å; R301-E305 WeakPolarHBondContact O-CG 3.36Å; R301-E305 PolarHBondContact O-N 3.32Å; R302-E305 WeakPolarHBondContact O-CB 3.17Å; R302-E305 PolarHBondContact O-N 2.85Å; E305-N308 PolarHBondContact O-N 2.83Å; E305-T309 PolarHBondContact O-N 2.93Å; E305-T309 VanDerWaalsContact O-N 3.08Å; E305-T309 PolarHBondContact O-OG1 3.24Å
306	E	95.5	Very high	93.7	Very high	95 Å²	95	73.9 Å²	73.9	44%	0.444	35%	0.349	S	S	.	.	H	α-helix	trans	-58.6	-54.6	172.2	-70.7	167.6	-168.4	0	0	111.4	R302 R303 N308 T309 E310	R302-E306 WeakPolarHBondContact O-CG 3.34Å; R302-E306 PolarHBondContact O-N 3.2Å; R303-E306 WeakPolarHBondContact CD-OE2 3.47Å; R303-E306 IonicContact CZ-OE2 3.76Å; R303-E306 IonicContact NH1-OE2 3.42Å; R303-E306 PolarHBondContact NH1-OE2 3.43Å; E306-N308 VanDerWaalsContact C-N 3.25Å; E306-N308 PolarHBondContact O-N 2.76Å; E306-T309 WeakPolarHBondContact O-CA 3.33Å; E306-T309 WeakPolarHBondContact O-CB 3.49Å; E306-T309 PolarHBondContact O-N 3.04Å; E306-E310 PolarHBondContact O-N 3.08Å
307	L	95.6	Very high	93.7	Very high	2 Å²	2	75.3 Å²	75.3	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-33.2	179.8	-67.4	-178.1	0	0	0	112.4	R303 W304 T309 R311 L354 Q357 M358 L361	R303-L307 WeakPolarHBondContact O-CG 3.25Å; R303-L307 PolarHBondContact O-N 3.44Å; R303-L307 VanDerWaalsContact O-N 3.11Å; W304-L307 PolarHBondContact O-N 2.96Å; L307-T309 VanDerWaalsContact C-N 3.29Å; L307-T309 PolarHBondContact O-N 2.89Å; L307-R311 VanDerWaalsContact O-CB 3.24Å; L307-R311 WeakPolarHBondContact O-CB 3.4Å; L307-R311 PolarHBondContact O-N 2.83Å; L307-L354 HydrophobicContact CD2-CD2 3.79Å; L307-Q357 HydrophobicContact CD1-CB 3.82Å; L307-M358 HydrophobicContact CB-CG 3.65Å; L307-M358 HydrophobicContact CB-SD 4.33Å; L307-M358 HydrophobicContact CD1-CG 4.27Å; L307-L361 HydrophobicContact CD1-CD1 3.66Å
308	N	94.6	Very high	93.4	Very high	23 Å²	23	74.5 Å²	74.5	12%	0.123	35%	0.351	C	S	.	.	H	α-helix	trans	-66.4	-34.4	175	-169.8	37.6	0	0	0	111.8	W304 E305 E306 R311 K312 M358	W304-N308 HydrophobicContact CE3-CB 4.39Å; W304-N308 HydrophobicContact CH2-CB 4.16Å; W304-N308 HydrophobicContact CZ3-CB 4.1Å; W304-N308 WeakPolarHBondContact O-CB 3.47Å; W304-N308 PolarHBondContact O-N 2.74Å; E305-N308 PolarHBondContact O-N 2.83Å; E306-N308 VanDerWaalsContact C-N 3.25Å; E306-N308 PolarHBondContact O-N 2.76Å; N308-R311 PolarHBondContact OD1-NH2 2.98Å; N308-K312 VanDerWaalsContact O-CG 3.26Å; N308-K312 WeakPolarHBondContact O-CG 3.28Å; N308-K312 PolarHBondContact O-N 3.31Å; N308-M358 HydrophobicContact CB-CE 3.52Å; N308-M358 HydrophobicContact CB-SD 4.29Å; N308-M358 WeakPolarHBondContact OD1-CE 3.5Å
309	T	95.3	Very high	93.1	Very high	72 Å²	72	71.4 Å²	71.4	44%	0.442	34%	0.344	S	S	.	.	H	α-helix	trans	-69.2	-51.4	176.8	-54.3	0	0	0	0	110	E305 E306 L307 R311 K312 E313	E305-T309 PolarHBondContact O-N 2.93Å; E305-T309 VanDerWaalsContact O-N 3.08Å; E305-T309 PolarHBondContact O-OG1 3.24Å; E306-T309 WeakPolarHBondContact O-CA 3.33Å; E306-T309 WeakPolarHBondContact O-CB 3.49Å; E306-T309 PolarHBondContact O-N 3.04Å; L307-T309 VanDerWaalsContact C-N 3.29Å; L307-T309 PolarHBondContact O-N 2.89Å; T309-R311 PolarHBondContact O-N 3.46Å; T309-K312 WeakPolarHBondContact O-CB 3.48Å; T309-K312 PolarHBondContact O-N 3.36Å; T309-E313 WeakPolarHBondContact O-CG 3.47Å; T309-E313 PolarHBondContact O-N 3.43Å
310	E	94.3	Very high	92.7	Very high	74 Å²	74	71.7 Å²	71.7	35%	0.346	34%	0.343	S	S	.	.	H	α-helix	trans	-55.7	-40.4	174.7	-69.4	-178.7	-150.2	0	0	112.1	E306 E313 A314 L354	E306-E310 PolarHBondContact O-N 3.08Å; E310-E313 PolarHBondContact O-N 2.85Å; E310-A314 WeakPolarHBondContact O-CB 3.31Å; E310-A314 PolarHBondContact O-N 2.85Å; E310-L354 HydrophobicContact CB-CD1 4.08Å; E310-L354 HydrophobicContact CB-CD2 4.5Å
311	R	96	Very high	92.1	Very high	65 Å²	65	73.1 Å²	73.1	25%	0.245	35%	0.351	C	S	.	.	H	α-helix	trans	-66.2	-41.6	177.7	-173.1	-174.2	64.6	153.5	1.4	111.7	L307 N308 T309 E313 A314 M315 I351 L354 S355 M358	L307-R311 VanDerWaalsContact O-CB 3.24Å; L307-R311 WeakPolarHBondContact O-CB 3.4Å; L307-R311 PolarHBondContact O-N 2.83Å; N308-R311 PolarHBondContact OD1-NH2 2.98Å; T309-R311 PolarHBondContact O-N 3.46Å; R311-E313 VanDerWaalsContact C-N 3.31Å; R311-A314 PolarHBondContact O-N 2.9Å; R311-M315 HydrophobicContact CG-SD 4.36Å; R311-M315 WeakPolarHBondContact O-CB 3.5Å; R311-M315 VanDerWaalsContact O-CG 3.24Å; R311-M315 WeakPolarHBondContact O-CG 3.42Å; R311-M315 PolarHBondContact O-N 2.79Å; R311-I351 HydrophobicContact CG-CG2 4.22Å; R311-L354 HydrophobicContact CB-CB 4.13Å; R311-L354 HydrophobicContact CB-CD1 4.04Å; R311-L354 HydrophobicContact CG-CB 4.32Å; R311-S355 VanDerWaalsContact CD-OG 3.26Å; R311-S355 WeakPolarHBondContact CD-OG 3.42Å; R311-M358 HydrophobicContact CB-SD 4.27Å
312	K	94.1	Very high	91.2	Very high	125 Å²	125	72.8 Å²	72.8	54%	0.543	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-39.9	176.4	-77.6	172.1	180	-179.2	0	111.3	N308 T309 M315 S316	N308-K312 VanDerWaalsContact O-CG 3.26Å; N308-K312 WeakPolarHBondContact O-CG 3.28Å; N308-K312 PolarHBondContact O-N 3.31Å; T309-K312 WeakPolarHBondContact O-CB 3.48Å; T309-K312 PolarHBondContact O-N 3.36Å; K312-M315 PolarHBondContact O-N 2.93Å; K312-S316 WeakPolarHBondContact O-CB 3.48Å; K312-S316 PolarHBondContact O-N 2.84Å
313	E	93.6	Very high	90.1	Very high	125 Å²	125	73.4 Å²	73.4	58%	0.584	36%	0.36	S	S	*	.	H	α-helix	trans	-63.3	-48.4	175	-69.7	173.2	-179.4	0	0	111.4	T309 E310 R311 M315 S316 H317	T309-E313 WeakPolarHBondContact O-CG 3.47Å; T309-E313 PolarHBondContact O-N 3.43Å; E310-E313 PolarHBondContact O-N 2.85Å; R311-E313 VanDerWaalsContact C-N 3.31Å; E313-M315 VanDerWaalsContact C-N 3.3Å; E313-M315 PolarHBondContact O-N 3.42Å; E313-S316 WeakPolarHBondContact O-CB 3.46Å; E313-S316 PolarHBondContact O-N 3.18Å; E313-S316 VanDerWaalsContact O-N 3.1Å; E313-H317 PolarHBondContact O-N 3.18Å
314	A	91.6	Very high	88.7	Confident	3 Å²	3	72.4 Å²	72.4	3%	0.025	37%	0.369	C	S	.	.	H	α-helix	trans	-59.4	-39.8	175.3	0	0	0	0	0	112	E310 R311 H317 A318 E347 K350 I351	E310-A314 WeakPolarHBondContact O-CB 3.31Å; E310-A314 PolarHBondContact O-N 2.85Å; R311-A314 PolarHBondContact O-N 2.9Å; A314-H317 PolarHBondContact O-N 3.17Å; A314-A318 WeakPolarHBondContact O-CB 3.45Å; A314-A318 PolarHBondContact O-N 3.31Å; A314-E347 WeakPolarHBondContact CB-OE2 3.39Å; A314-K350 HydrophobicContact CB-CD 4.38Å; A314-I351 HydrophobicContact CB-CD1 4.44Å; A314-I351 HydrophobicContact CB-CG1 3.7Å
315	M	90.6	Very high	86.7	Confident	97 Å²	97	71.9 Å²	71.9	48%	0.478	37%	0.373	S	S	.	.	H	α-helix	trans	-63.9	-41.1	173.8	-74.4	176.6	70.1	0	0	112.5	R311 K312 E313 A319 I351	R311-M315 HydrophobicContact CG-SD 4.36Å; R311-M315 WeakPolarHBondContact O-CB 3.5Å; R311-M315 VanDerWaalsContact O-CG 3.24Å; R311-M315 WeakPolarHBondContact O-CG 3.42Å; R311-M315 PolarHBondContact O-N 2.79Å; K312-M315 PolarHBondContact O-N 2.93Å; E313-M315 VanDerWaalsContact C-N 3.3Å; E313-M315 PolarHBondContact O-N 3.42Å; M315-A319 WeakPolarHBondContact O-CB 3.4Å; M315-A319 PolarHBondContact O-N 2.74Å; M315-I351 HydrophobicContact CB-CD1 4.41Å; M315-I351 HydrophobicContact CG-CD1 3.84Å; M315-I351 HydrophobicContact CG-CG1 4.06Å; M315-I351 HydrophobicContact CG-CG2 4.12Å
316	S	90.3	Very high	84.6	Confident	82 Å²	82	72.8 Å²	72.8	57%	0.573	39%	0.386	S	S	*	.	H	α-helix	trans	-63.1	-43.8	175.6	-170.9	0	0	0	0	111.2	K312 E313 A319 S320	K312-S316 WeakPolarHBondContact O-CB 3.48Å; K312-S316 PolarHBondContact O-N 2.84Å; E313-S316 WeakPolarHBondContact O-CB 3.46Å; E313-S316 PolarHBondContact O-N 3.18Å; E313-S316 VanDerWaalsContact O-N 3.1Å; S316-A319 WeakPolarHBondContact O-CB 3.25Å; S316-A319 PolarHBondContact O-N 2.63Å; S316-S320 PolarHBondContact O-N 3.45Å
317	H	89.7	Confident	82.5	Confident	87 Å²	87	72.8 Å²	72.8	40%	0.403	38%	0.384	S	S	.	.	H	α-helix	trans	-65.8	-44.1	177.2	-168.5	-137.5	0	0	0	112.1	E313 A314 A319 S320 L321 E347	E313-H317 PolarHBondContact O-N 3.18Å; A314-H317 PolarHBondContact O-N 3.17Å; H317-A319 VanDerWaalsContact C-N 3.26Å; H317-A319 PolarHBondContact O-N 2.93Å; H317-S320 PolarHBondContact O-N 3.43Å; H317-S320 PolarHBondContact O-OG 3.38Å; H317-L321 WeakPolarHBondContact O-CG 3.37Å; H317-L321 PolarHBondContact O-N 3.49Å; H317-E347 IonicContact CE1-OE1 2.63Å; H317-E347 IonicContact CG-OE1 3.36Å; H317-E347 IonicContact ND1-OE1 3.37Å; H317-E347 PolarHBondContact ND1-OE1 3.49Å
318	A	86.1	Confident	80.2	Confident	4 Å²	4	77 Å²	77	3%	0.033	42%	0.415	C	S	.	.	H	α-helix	trans	-60.4	-37.7	173.2	0	0	0	0	0	111.9	A314 K322 Y344 E347 I351	A314-A318 WeakPolarHBondContact O-CB 3.45Å; A314-A318 PolarHBondContact O-N 3.31Å; A318-K322 WeakPolarHBondContact O-CB 3.5Å; A318-K322 PolarHBondContact O-N 2.93Å; A318-Y344 HydrophobicContact CB-CD2 4.25Å; A318-Y344 HydrophobicContact CB-CE2 4.03Å; A318-Y344 WeakPolarHBondContact O-CE2 3.47Å; A318-E347 HydrophobicContact CB-CB 4.19Å; A318-I351 HydrophobicContact CB-CD1 3.93Å
319	A	85.1	Confident	77.7	Confident	49 Å²	49	80.2 Å²	80.2	41%	0.405	44%	0.439	S	S	.	.	H	α-helix	trans	-68.9	-37.1	176.1	0	0	0	0	0	112.6	M315 S316 H317 K322 K323	M315-A319 WeakPolarHBondContact O-CB 3.4Å; M315-A319 PolarHBondContact O-N 2.74Å; S316-A319 WeakPolarHBondContact O-CB 3.25Å; S316-A319 PolarHBondContact O-N 2.63Å; H317-A319 VanDerWaalsContact C-N 3.26Å; H317-A319 PolarHBondContact O-N 2.93Å; A319-K322 PolarHBondContact O-N 2.94Å; A319-K323 WeakPolarHBondContact O-CG 3.48Å; A319-K323 PolarHBondContact O-N 2.95Å; A319-K323 VanDerWaalsContact O-N 3.16Å
320	S	84.4	Confident	75.3	Confident	58 Å²	58	80 Å²	80	41%	0.406	45%	0.451	S	S	.	.	H	α-helix	trans	-68.9	-43	175.4	70.1	0	0	0	0	111.6	S316 H317 K322 K323 S324	S316-S320 PolarHBondContact O-N 3.45Å; H317-S320 PolarHBondContact O-N 3.43Å; H317-S320 PolarHBondContact O-OG 3.38Å; S320-K322 VanDerWaalsContact C-N 3.26Å; S320-K322 PolarHBondContact O-N 3.43Å; S320-K323 CarbonylContact O-C 3.55Å; S320-K323 WeakPolarHBondContact O-CA 3.45Å; S320-K323 WeakPolarHBondContact O-CB 3.23Å; S320-K323 PolarHBondContact O-N 3.26Å; S320-S324 PolarHBondContact O-N 3.24Å; S320-S324 PolarHBondContact O-OG 3.13Å
321	L	81.3	Confident	72.7	Confident	40 Å²	40	86.2 Å²	86.2	21%	0.209	48%	0.477	C	S	.	.	H	α-helix	trans	-58.6	-38.3	173.5	-72.4	171.7	0	0	0	112.2	H317 K323 S324 S325 E343 Y344 E347	H317-L321 WeakPolarHBondContact O-CG 3.37Å; H317-L321 PolarHBondContact O-N 3.49Å; L321-K323 VanDerWaalsContact C-N 3.31Å; L321-K323 PolarHBondContact O-N 2.98Å; L321-S324 WeakPolarHBondContact CA-OG 3.49Å; L321-S324 PolarHBondContact O-OG 3.36Å; L321-S325 PolarHBondContact O-N 3.03Å; L321-E343 HydrophobicContact CD1-CB 4.21Å; L321-Y344 HydrophobicContact CB-CD2 4.31Å; L321-E347 HydrophobicContact CD1-CG 4.13Å
322	K	73.5	Confident	70.2	Confident	134 Å²	134	85.8 Å²	85.8	58%	0.583	48%	0.484	S	S	*	.	H	α-helix	trans	-66.5	-33.6	175.3	-167.8	175.8	-179	179.8	0	112.2	A318 A319 S320 Y344	A318-K322 WeakPolarHBondContact O-CB 3.5Å; A318-K322 PolarHBondContact O-N 2.93Å; A319-K322 PolarHBondContact O-N 2.94Å; S320-K322 VanDerWaalsContact C-N 3.26Å; S320-K322 PolarHBondContact O-N 3.43Å; K322-Y344 HydrophobicContact CB-CE2 4.33Å
323	K	72.5	Confident	67.9	Low	171 Å²	171	92 Å²	92	74%	0.743	50%	0.504	S	S	*	.	H	α-helix	trans	-78	-34.7	176.9	-72.5	177.7	-178.9	-178.1	0	113.1	A319 S320 L321 S325	A319-K323 WeakPolarHBondContact O-CG 3.48Å; A319-K323 PolarHBondContact O-N 2.95Å; A319-K323 VanDerWaalsContact O-N 3.16Å; S320-K323 CarbonylContact O-C 3.55Å; S320-K323 WeakPolarHBondContact O-CA 3.45Å; S320-K323 WeakPolarHBondContact O-CB 3.23Å; S320-K323 PolarHBondContact O-N 3.26Å; L321-K323 VanDerWaalsContact C-N 3.31Å; L321-K323 PolarHBondContact O-N 2.98Å; K323-S325 VanDerWaalsContact C-N 3.27Å; K323-S325 PolarHBondContact O-N 2.7Å
324	S	64.9	Low	65.7	Low	84 Å²	84	89.7 Å²	89.7	59%	0.587	50%	0.495	S	S	*	.	H	α-helix	trans	-79.3	-5.2	-179.2	61.2	0	0	0	0	114.1	S320 L321	S320-S324 PolarHBondContact O-N 3.24Å; S320-S324 PolarHBondContact O-OG 3.13Å; L321-S324 WeakPolarHBondContact CA-OG 3.49Å; L321-S324 PolarHBondContact O-OG 3.36Å
325	S	56.1	Low	63.5	Low	39 Å²	39	93.8 Å²	93.8	27%	0.273	52%	0.521	S	S	.	.			trans	-57.6	125.5	175.2	-175.4	0	0	0	0	111.2	L321 K323 F327 S328	L321-S325 PolarHBondContact O-N 3.03Å; K323-S325 VanDerWaalsContact C-N 3.27Å; K323-S325 PolarHBondContact O-N 2.7Å; S325-F327 PolarHBondContact O-N 3.49Å; S325-S328 PolarHBondContact O-N 3.24Å; S325-S328 VanDerWaalsContact O-N 3.13Å; S325-S328 PolarHBondContact O-OG 2.92Å; S325-S328 VanDerWaalsContact O-OG 3.12Å
326	P	52.4	Low	61.4	Low	100 Å²	100	96.5 Å²	96.5	65%	0.649	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-58.4	-18.6	-178.7	-23.1	31.8	0	0	0	114.3	S329	P326-S329 PolarHBondContact O-OG 3.22Å
327	F	50.3	Low	59.2	Low	94 Å²	94	101.4 Å²	101.4	41%	0.412	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-89.2	6.3	-178.1	-68.9	-72.9	0	0	0	114.6	S325 S329 S332 I334 W339	S325-F327 PolarHBondContact O-N 3.49Å; F327-S329 PolarHBondContact O-N 3.03Å; F327-S332 WeakPolarHBondContact CD1-OG 3.38Å; F327-S332 WeakPolarHBondContact CE1-OG 3.39Å; F327-I334 HydrophobicContact CE1-CD1 4.38Å; F327-I334 HydrophobicContact CZ-CD1 4.25Å; F327-W339 HydrophobicContact CE2-CD2 4.22Å; F327-W339 AromaticContact CE2-CE2 3.99Å; F327-W339 HydrophobicContact CE2-CZ2 4.21Å
328	S	48	Very low	57.3	Low	92 Å²	92	104.6 Å²	104.6	64%	0.643	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-72.1	-10.6	167.7	61.8	0	0	0	0	113	S325	S325-S328 PolarHBondContact O-N 3.24Å; S325-S328 VanDerWaalsContact O-N 3.13Å; S325-S328 PolarHBondContact O-OG 2.92Å; S325-S328 VanDerWaalsContact O-OG 3.12Å
329	S	40.9	Very low	55.2	Low	90 Å²	90	112 Å²	112	63%	0.629	60%	0.595	S	S	*	*	S	Bend	trans	-92.2	98.3	173.1	67.2	0	0	0	0	112	P326 F327 F331	P326-S329 PolarHBondContact O-OG 3.22Å; F327-S329 PolarHBondContact O-N 3.03Å; S329-F331 VanDerWaalsContact C-N 3.33Å; S329-F331 PolarHBondContact O-N 3.14Å
330	G	45.6	Very low	53.7	Low	68 Å²	68	110.7 Å²	110.7	70%	0.701	58%	0.584	S	S	*	*	S	Bend	trans	61.1	-36.7	145.3	0	0	0	0	0	122.7
331	F	40.1	Very low	52.8	Low	204 Å²	204	109.9 Å²	109.9	90%	0.895	58%	0.581	S	S	*	*			trans	-152.3	76.1	-164.5	-72.5	-84.4	0	0	0	113.7	S329	S329-F331 VanDerWaalsContact C-N 3.33Å; S329-F331 PolarHBondContact O-N 3.14Å
332	S	42.8	Very low	52.7	Low	56 Å²	56	112.5 Å²	112.5	39%	0.392	60%	0.6	S	S	.	*			trans	-158.3	128.7	144.7	94.2	0	0	0	0	111	F327 I334	F327-S332 WeakPolarHBondContact CD1-OG 3.38Å; F327-S332 WeakPolarHBondContact CE1-OG 3.39Å; S332-I334 PolarHBondContact O-N 2.94Å; S332-I334 VanDerWaalsContact O-N 3.11Å
333	R	45.4	Very low	53	Low	256 Å²	256	111.4 Å²	111.4	97%	0.966	60%	0.597	S	S	*	*			trans	-80.8	42.5	175.1	-79.5	-177.1	172.3	172.4	-2	111.8	P335	R333-P335 WeakPolarHBondContact O-CD 3.38Å
334	I	47.7	Very low	53.5	Low	75 Å²	75	106.3 Å²	106.3	39%	0.385	57%	0.574	S	S	.	*			trans	-83.8	119.8	167.1	-57	176.1	0	0	0	106.5	F327 S332 L336	F327-I334 HydrophobicContact CE1-CD1 4.38Å; F327-I334 HydrophobicContact CZ-CD1 4.25Å; S332-I334 PolarHBondContact O-N 2.94Å; S332-I334 VanDerWaalsContact O-N 3.11Å; I334-L336 PolarHBondContact O-N 2.76Å; I334-L336 VanDerWaalsContact O-N 3.16Å
335	P	45.3	Very low	54.3	Low	89 Å²	89	109.5 Å²	109.5	58%	0.578	57%	0.573	S	S	*	*			trans	-53.1	126.4	177	-22.3	31.7	0	0	0	109.2	R333 M337 Q338	R333-P335 WeakPolarHBondContact O-CD 3.38Å; P335-M337 PolarHBondContact O-N 3.18Å; P335-Q338 PolarHBondContact O-N 3.4Å
336	L	47.3	Very low	55.7	Low	154 Å²	154	111.6 Å²	111.6	81%	0.806	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-46.5	-23.5	180	-158.3	84.1	0	0	0	113.1	I334 Q338	I334-L336 PolarHBondContact O-N 2.76Å; I334-L336 VanDerWaalsContact O-N 3.16Å; L336-Q338 VanDerWaalsContact C-N 3.32Å; L336-Q338 PolarHBondContact O-N 2.73Å
337	M	44.7	Very low	57.4	Low	185 Å²	185	108.3 Å²	108.3	91%	0.911	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-60.9	-25.5	176.6	-91.3	-172.8	165.1	0	0	115.7	P335	P335-M337 PolarHBondContact O-N 3.18Å
338	Q	48	Very low	59.1	Low	154 Å²	154	107.5 Å²	107.5	72%	0.72	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-92.7	-15	-175.9	-88.4	-179.8	-20	0	0	115.2	P335 L336	P335-Q338 PolarHBondContact O-N 3.4Å; L336-Q338 VanDerWaalsContact C-N 3.32Å; L336-Q338 PolarHBondContact O-N 2.73Å
339	W	43	Very low	61.2	Low	161 Å²	161	104.9 Å²	104.9	61%	0.61	55%	0.549	S	S	*	.			trans	-112.4	64.2	178.5	-82.9	84.8	0	0	0	112	F327	F327-W339 HydrophobicContact CE2-CD2 4.22Å; F327-W339 AromaticContact CE2-CE2 3.99Å; F327-W339 HydrophobicContact CE2-CZ2 4.21Å
340	A	54	Low	63.6	Low	21 Å²	21	105.6 Å²	105.6	17%	0.174	54%	0.54	C	S	.	.			trans	-90.1	97.7	153.6	0	0	0	0	0	106.8	Y344 R345	A340-Y344 HydrophobicContact CB-CD1 4.23Å; A340-R345 HydrophobicContact CB-CG 3.84Å; A340-R345 PolarHBondContact O-NE 2.98Å; A340-R345 PolarHBondContact O-NH2 3.15Å
341	A	65	Low	65.8	Low	40 Å²	40	103.3 Å²	103.3	33%	0.331	51%	0.512	S	S	.	.			trans	-43.9	134.3	168.3	0	0	0	0	0	108.3	E343 Y344 R345	A341-E343 WeakPolarHBondContact CB-OE2 3.48Å; A341-E343 PolarHBondContact O-N 2.82Å; A341-Y344 PolarHBondContact O-N 2.99Å; A341-R345 PolarHBondContact O-N 2.83Å
342	P	78.2	Confident	68.3	Low	95 Å²	95	99.6 Å²	99.6	62%	0.617	50%	0.498	S	S	*	.	H	α-helix	trans	-45.4	-35.6	-177.2	-29.2	35	0	0	0	113.1	R345 S346	P342-R345 PolarHBondContact O-N 2.94Å; P342-S346 WeakPolarHBondContact O-CB 3.44Å; P342-S346 PolarHBondContact O-N 3.28Å
343	E	80.4	Confident	70.8	Confident	111 Å²	111	99.5 Å²	99.5	52%	0.519	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-47.8	176.9	-56.7	75.6	-162.3	0	0	112.4	L321 A341 R345 S346 E347	L321-E343 HydrophobicContact CD1-CB 4.21Å; A341-E343 WeakPolarHBondContact CB-OE2 3.48Å; A341-E343 PolarHBondContact O-N 2.82Å; E343-R345 PolarHBondContact O-N 3.13Å; E343-S346 WeakPolarHBondContact O-CB 3.33Å; E343-S346 PolarHBondContact O-N 3.04Å; E343-E347 PolarHBondContact O-N 2.83Å
344	Y	83.3	Confident	73.2	Confident	64 Å²	64	87.7 Å²	87.7	25%	0.251	45%	0.453	S	S	.	.	H	α-helix	trans	-64.3	-40.5	177.5	177.6	-94.3	0	0	0	111.7	A318 L321 K322 A340 A341 S346 E347 Q348	A318-Y344 HydrophobicContact CB-CD2 4.25Å; A318-Y344 HydrophobicContact CB-CE2 4.03Å; A318-Y344 WeakPolarHBondContact O-CE2 3.47Å; L321-Y344 HydrophobicContact CB-CD2 4.31Å; K322-Y344 HydrophobicContact CB-CE2 4.33Å; A340-Y344 HydrophobicContact CB-CD1 4.23Å; A341-Y344 PolarHBondContact O-N 2.99Å; Y344-S346 VanDerWaalsContact C-N 3.33Å; Y344-E347 PolarHBondContact O-N 3.13Å; Y344-Q348 HydrophobicContact CD1-CG 4.05Å; Y344-Q348 HydrophobicContact CE1-CG 3.54Å; Y344-Q348 HydrophobicContact CE2-CG 4.32Å; Y344-Q348 WeakPolarHBondContact O-CG 3.43Å; Y344-Q348 PolarHBondContact O-N 2.93Å; Y344-Q348 PolarHBondContact OH-NE2 2.82Å
345	R	81.5	Confident	75.5	Confident	151 Å²	151	86 Å²	86	57%	0.57	45%	0.448	S	S	*	.	H	α-helix	trans	-63	-42.4	176.7	-113.4	-177.2	-72.7	-149.1	-0.4	111.3	A340 A341 P342 E343 Q348 G349	A340-R345 HydrophobicContact CB-CG 3.84Å; A340-R345 PolarHBondContact O-NE 2.98Å; A340-R345 PolarHBondContact O-NH2 3.15Å; A341-R345 PolarHBondContact O-N 2.83Å; P342-R345 PolarHBondContact O-N 2.94Å; E343-R345 PolarHBondContact O-N 3.13Å; R345-Q348 PolarHBondContact O-N 3.26Å; R345-G349 PolarHBondContact O-N 2.83Å
346	S	85.9	Confident	77.9	Confident	84 Å²	84	87.3 Å²	87.3	59%	0.587	45%	0.446	S	S	*	.	H	α-helix	trans	-60	-46.4	174.8	-169.8	0	0	0	0	111.5	P342 E343 Y344 Q348 G349 K350	P342-S346 WeakPolarHBondContact O-CB 3.44Å; P342-S346 PolarHBondContact O-N 3.28Å; E343-S346 WeakPolarHBondContact O-CB 3.33Å; E343-S346 PolarHBondContact O-N 3.04Å; Y344-S346 VanDerWaalsContact C-N 3.33Å; S346-Q348 PolarHBondContact O-N 3.02Å; S346-G349 PolarHBondContact O-N 2.9Å; S346-K350 PolarHBondContact O-N 3.17Å
347	E	87.9	Confident	80.2	Confident	30 Å²	30	83.8 Å²	83.8	14%	0.14	43%	0.425	C	S	.	.	H	α-helix	trans	-64.1	-41	177	-75.3	-62.9	171.4	0	0	113	A314 H317 A318 L321 E343 Y344 G349 K350 I351	A314-E347 WeakPolarHBondContact CB-OE2 3.39Å; H317-E347 IonicContact CE1-OE1 2.63Å; H317-E347 IonicContact CG-OE1 3.36Å; H317-E347 IonicContact ND1-OE1 3.37Å; H317-E347 PolarHBondContact ND1-OE1 3.49Å; A318-E347 HydrophobicContact CB-CB 4.19Å; L321-E347 HydrophobicContact CD1-CG 4.13Å; E343-E347 PolarHBondContact O-N 2.83Å; Y344-E347 PolarHBondContact O-N 3.13Å; E347-G349 VanDerWaalsContact C-N 3.33Å; E347-G349 PolarHBondContact O-N 3.26Å; E347-K350 WeakPolarHBondContact O-CB 3.37Å; E347-K350 PolarHBondContact O-N 2.96Å; E347-I351 VanDerWaalsContact O-CG1 3.29Å; E347-I351 WeakPolarHBondContact O-CG1 3.49Å; E347-I351 PolarHBondContact O-N 3.36Å
348	Q	87.1	Confident	82.7	Confident	78 Å²	78	75.2 Å²	75.2	36%	0.364	38%	0.383	S	S	.	.	H	α-helix	trans	-60.7	-43.1	173.7	-73.5	-63.1	-43.1	0	0	111.8	Y344 R345 S346 K350 I351 Q352	Y344-Q348 HydrophobicContact CD1-CG 4.05Å; Y344-Q348 HydrophobicContact CE1-CG 3.54Å; Y344-Q348 HydrophobicContact CE2-CG 4.32Å; Y344-Q348 WeakPolarHBondContact O-CG 3.43Å; Y344-Q348 PolarHBondContact O-N 2.93Å; Y344-Q348 PolarHBondContact OH-NE2 2.82Å; R345-Q348 PolarHBondContact O-N 3.26Å; S346-Q348 PolarHBondContact O-N 3.02Å; Q348-K350 VanDerWaalsContact C-N 3.32Å; Q348-K350 PolarHBondContact O-N 3.4Å; Q348-I351 PolarHBondContact O-N 3.02Å; Q348-Q352 PolarHBondContact O-N 2.79Å
349	G	90.2	Very high	85	Confident	37 Å²	37	71.3 Å²	71.3	38%	0.381	37%	0.365	S	S	.	.	H	α-helix	trans	-59.5	-42	173.7	0	0	0	0	0	112.3	R345 S346 E347 Q352 S353	R345-G349 PolarHBondContact O-N 2.83Å; S346-G349 PolarHBondContact O-N 2.9Å; E347-G349 VanDerWaalsContact C-N 3.33Å; E347-G349 PolarHBondContact O-N 3.26Å; G349-Q352 PolarHBondContact O-N 2.75Å; G349-S353 WeakPolarHBondContact O-CB 3.45Å; G349-S353 PolarHBondContact O-N 3.42Å
350	K	92.4	Very high	87.5	Confident	104 Å²	104	70.8 Å²	70.8	45%	0.452	37%	0.367	S	S	.	.	H	α-helix	trans	-61.9	-47.3	175.1	-170.5	179.4	178.6	-175.2	0	111.8	A314 S346 E347 Q348 Q352 S353 L354	A314-K350 HydrophobicContact CB-CD 4.38Å; S346-K350 PolarHBondContact O-N 3.17Å; E347-K350 WeakPolarHBondContact O-CB 3.37Å; E347-K350 PolarHBondContact O-N 2.96Å; Q348-K350 VanDerWaalsContact C-N 3.32Å; Q348-K350 PolarHBondContact O-N 3.4Å; K350-Q352 VanDerWaalsContact C-N 3.31Å; K350-Q352 PolarHBondContact O-N 2.63Å; K350-S353 PolarHBondContact O-N 2.89Å; K350-L354 HydrophobicContact CG-CD1 4.09Å; K350-L354 HydrophobicContact CG-CG 4.5Å; K350-L354 WeakPolarHBondContact O-CB 3.34Å; K350-L354 WeakPolarHBondContact O-CG 2.72Å; K350-L354 PolarHBondContact O-N 3.47Å
351	I	92.3	Very high	89.5	Confident	21 Å²	21	71.5 Å²	71.5	11%	0.108	37%	0.368	C	S	.	.	H	α-helix	trans	-59.4	-42.3	177.4	-66.9	161.7	0	0	0	111.3	R311 A314 M315 A318 E347 Q348 S355	R311-I351 HydrophobicContact CG-CG2 4.22Å; A314-I351 HydrophobicContact CB-CD1 4.44Å; A314-I351 HydrophobicContact CB-CG1 3.7Å; M315-I351 HydrophobicContact CB-CD1 4.41Å; M315-I351 HydrophobicContact CG-CD1 3.84Å; M315-I351 HydrophobicContact CG-CG1 4.06Å; M315-I351 HydrophobicContact CG-CG2 4.12Å; A318-I351 HydrophobicContact CB-CD1 3.93Å; E347-I351 VanDerWaalsContact O-CG1 3.29Å; E347-I351 WeakPolarHBondContact O-CG1 3.49Å; E347-I351 PolarHBondContact O-N 3.36Å; Q348-I351 PolarHBondContact O-N 3.02Å; I351-S355 WeakPolarHBondContact O-CB 3.39Å; I351-S355 PolarHBondContact O-N 2.72Å; I351-S355 PolarHBondContact O-OG 3.07Å
352	Q	92.8	Very high	90.9	Very high	126 Å²	126	74.9 Å²	74.9	59%	0.589	37%	0.372	S	S	*	.	H	α-helix	trans	-66.5	-45.4	178.9	-169.3	175.8	12.2	0	0	111.5	Q348 G349 K350 S355 Q356	Q348-Q352 PolarHBondContact O-N 2.79Å; G349-Q352 PolarHBondContact O-N 2.75Å; K350-Q352 VanDerWaalsContact C-N 3.31Å; K350-Q352 PolarHBondContact O-N 2.63Å; Q352-S355 PolarHBondContact O-N 3.37Å; Q352-Q356 WeakPolarHBondContact O-CG 3.38Å; Q352-Q356 PolarHBondContact O-N 3.27Å
353	S	95.1	Very high	91.7	Very high	53 Å²	53	75.7 Å²	75.7	37%	0.371	37%	0.368	S	S	.	.	H	α-helix	trans	-59.4	-48.7	175.7	176.6	0	0	0	0	111.9	G349 K350 S355 Q356 Q357	G349-S353 WeakPolarHBondContact O-CB 3.45Å; G349-S353 PolarHBondContact O-N 3.42Å; K350-S353 PolarHBondContact O-N 2.89Å; S353-S355 VanDerWaalsContact C-N 3.32Å; S353-S355 PolarHBondContact O-N 3.48Å; S353-Q356 PolarHBondContact O-N 3.41Å; S353-Q357 WeakPolarHBondContact O-CG 3.48Å; S353-Q357 PolarHBondContact O-N 2.98Å; S353-Q357 PolarHBondContact OG-NE2 2.8Å
354	L	96	Very high	92.4	Very high	8 Å²	8	73.7 Å²	73.7	4%	0.042	36%	0.358	C	S	.	.	H	α-helix	trans	-60.3	-42.2	177	-71.4	172.1	0	0	0	111.6	L307 E310 R311 K350 Q356 Q357 M358	L307-L354 HydrophobicContact CD2-CD2 3.79Å; E310-L354 HydrophobicContact CB-CD1 4.08Å; E310-L354 HydrophobicContact CB-CD2 4.5Å; R311-L354 HydrophobicContact CB-CB 4.13Å; R311-L354 HydrophobicContact CB-CD1 4.04Å; R311-L354 HydrophobicContact CG-CB 4.32Å; K350-L354 HydrophobicContact CG-CD1 4.09Å; K350-L354 HydrophobicContact CG-CG 4.5Å; K350-L354 WeakPolarHBondContact O-CB 3.34Å; K350-L354 WeakPolarHBondContact O-CG 2.72Å; K350-L354 PolarHBondContact O-N 3.47Å; L354-Q356 VanDerWaalsContact C-N 3.33Å; L354-Q356 PolarHBondContact O-N 3.47Å; L354-Q357 PolarHBondContact O-N 3.28Å; L354-M358 WeakPolarHBondContact O-CB 3.4Å; L354-M358 VanDerWaalsContact O-CG 3.22Å; L354-M358 WeakPolarHBondContact O-CG 3.4Å; L354-M358 PolarHBondContact O-N 3.21Å
355	S	94.8	Very high	93	Very high	40 Å²	40	73.5 Å²	73.5	28%	0.28	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-39.3	177.2	-61.1	0	0	0	0	112.4	R311 I351 Q352 S353 E359	R311-S355 VanDerWaalsContact CD-OG 3.26Å; R311-S355 WeakPolarHBondContact CD-OG 3.42Å; I351-S355 WeakPolarHBondContact O-CB 3.39Å; I351-S355 PolarHBondContact O-N 2.72Å; I351-S355 PolarHBondContact O-OG 3.07Å; Q352-S355 PolarHBondContact O-N 3.37Å; S353-S355 VanDerWaalsContact C-N 3.32Å; S353-S355 PolarHBondContact O-N 3.48Å; S355-E359 PolarHBondContact O-N 3.01Å
356	Q	95.5	Very high	93.6	Very high	117 Å²	117	73 Å²	73	55%	0.547	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-42.9	175.1	-72.3	176	0.6	0	0	112.2	Q352 S353 L354 E359 K360	Q352-Q356 WeakPolarHBondContact O-CG 3.38Å; Q352-Q356 PolarHBondContact O-N 3.27Å; S353-Q356 PolarHBondContact O-N 3.41Å; L354-Q356 VanDerWaalsContact C-N 3.33Å; L354-Q356 PolarHBondContact O-N 3.47Å; Q356-E359 PolarHBondContact O-N 3.33Å; Q356-K360 PolarHBondContact O-N 3.47Å; Q356-K360 VanDerWaalsContact O-N 3.11Å
357	Q	96.6	Very high	94	Very high	79 Å²	79	74.1 Å²	74.1	37%	0.369	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-43.8	176.2	-68.7	179.1	50.2	0	0	111.6	L307 S353 L354 E359 K360 L361	L307-Q357 HydrophobicContact CD1-CB 3.82Å; S353-Q357 WeakPolarHBondContact O-CG 3.48Å; S353-Q357 PolarHBondContact O-N 2.98Å; S353-Q357 PolarHBondContact OG-NE2 2.8Å; L354-Q357 PolarHBondContact O-N 3.28Å; Q357-E359 VanDerWaalsContact C-N 3.31Å; Q357-E359 PolarHBondContact O-N 3.26Å; Q357-K360 WeakPolarHBondContact O-CB 3.33Å; Q357-K360 PolarHBondContact O-N 3.44Å; Q357-L361 PolarHBondContact O-N 3.4Å; Q357-L361 VanDerWaalsContact O-N 3.09Å
358	M	97.2	Very high	94.2	Very high	5 Å²	5	72.9 Å²	72.9	3%	0.025	34%	0.344	C	S	.	.	H	α-helix	trans	-60.2	-39.4	175.5	-73.8	174.8	69.1	0	0	112.4	W304 L307 N308 R311 L354 L361 R362	W304-M358 VanDerWaalsContact CD1-O 3.27Å; W304-M358 HydrophobicContact CD2-CE 4.19Å; W304-M358 HydrophobicContact CH2-CE 4.02Å; W304-M358 HydrophobicContact CZ2-CE 3.23Å; W304-M358 PolarHBondContact NE1-O 3.24Å; L307-M358 HydrophobicContact CB-CG 3.65Å; L307-M358 HydrophobicContact CB-SD 4.33Å; L307-M358 HydrophobicContact CD1-CG 4.27Å; N308-M358 HydrophobicContact CB-CE 3.52Å; N308-M358 HydrophobicContact CB-SD 4.29Å; N308-M358 WeakPolarHBondContact OD1-CE 3.5Å; R311-M358 HydrophobicContact CB-SD 4.27Å; L354-M358 WeakPolarHBondContact O-CB 3.4Å; L354-M358 VanDerWaalsContact O-CG 3.22Å; L354-M358 WeakPolarHBondContact O-CG 3.4Å; L354-M358 PolarHBondContact O-N 3.21Å; M358-L361 PolarHBondContact O-N 3.08Å; M358-R362 WeakPolarHBondContact O-CG 3.5Å; M358-R362 PolarHBondContact O-N 2.88Å
359	E	95.2	Very high	94.5	Very high	72 Å²	72	73.1 Å²	73.1	34%	0.336	35%	0.345	S	S	.	.	H	α-helix	trans	-67.3	-38.7	177.6	-173.8	54.8	-151.6	0	0	111.8	S355 Q356 Q357 L361 R362 Q363	S355-E359 PolarHBondContact O-N 3.01Å; Q356-E359 PolarHBondContact O-N 3.33Å; Q357-E359 VanDerWaalsContact C-N 3.31Å; Q357-E359 PolarHBondContact O-N 3.26Å; E359-L361 PolarHBondContact O-N 3.48Å; E359-R362 WeakPolarHBondContact O-CB 3.23Å; E359-R362 PolarHBondContact O-N 3.48Å; E359-R362 IonicContact OE2-NH1 3.61Å; E359-Q363 WeakPolarHBondContact O-CG 3.36Å; E359-Q363 PolarHBondContact O-N 3.19Å; E359-Q363 PolarHBondContact OE1-NE2 3.49Å
360	K	95.7	Very high	94.6	Very high	150 Å²	150	78.2 Å²	78.2	65%	0.652	36%	0.357	S	S	*	.	H	α-helix	trans	-59.4	-44.7	172.5	-70.1	179.2	-179.8	-178.6	0	112.1	Q356 Q357 R362 Q363 H364	Q356-K360 PolarHBondContact O-N 3.47Å; Q356-K360 VanDerWaalsContact O-N 3.11Å; Q357-K360 WeakPolarHBondContact O-CB 3.33Å; Q357-K360 PolarHBondContact O-N 3.44Å; K360-R362 VanDerWaalsContact C-N 3.34Å; K360-R362 PolarHBondContact O-N 3.36Å; K360-Q363 PolarHBondContact O-N 2.81Å; K360-H364 PolarHBondContact O-N 3.29Å
361	L	96	Very high	94.5	Very high	36 Å²	36	79.1 Å²	79.1	19%	0.188	36%	0.363	C	S	.	.	H	α-helix	trans	-63.6	-39.1	176.6	-67.8	173.9	0	0	0	112	T300 R303 W304 L307 Q357 M358 E359 H364 Y365	T300-L361 HydrophobicContact CG2-CB 4.11Å; T300-L361 HydrophobicContact CG2-CD2 4.1Å; T300-L361 WeakPolarHBondContact CG2-O 3.45Å; R303-L361 HydrophobicContact CB-CD1 4.1Å; R303-L361 HydrophobicContact CG-CD1 3.76Å; R303-L361 HydrophobicContact CG-CD2 4.43Å; W304-L361 HydrophobicContact CB-CB 4.39Å; W304-L361 HydrophobicContact CB-CD1 4.12Å; L307-L361 HydrophobicContact CD1-CD1 3.66Å; Q357-L361 PolarHBondContact O-N 3.4Å; Q357-L361 VanDerWaalsContact O-N 3.09Å; M358-L361 PolarHBondContact O-N 3.08Å; E359-L361 PolarHBondContact O-N 3.48Å; L361-H364 PolarHBondContact O-N 3.12Å; L361-Y365 WeakPolarHBondContact O-CB 3.45Å; L361-Y365 PolarHBondContact O-N 3.23Å
362	R	94.6	Very high	94.5	Very high	112 Å²	112	80.8 Å²	80.8	42%	0.423	37%	0.372	S	S	.	.	H	α-helix	trans	-63	-41.3	174.6	-78.3	174.7	171.2	-173.5	-7	112.3	M358 E359 K360 R366	M358-R362 WeakPolarHBondContact O-CG 3.5Å; M358-R362 PolarHBondContact O-N 2.88Å; E359-R362 WeakPolarHBondContact O-CB 3.23Å; E359-R362 PolarHBondContact O-N 3.48Å; E359-R362 IonicContact OE2-NH1 3.61Å; K360-R362 VanDerWaalsContact C-N 3.34Å; K360-R362 PolarHBondContact O-N 3.36Å; R362-R366 WeakPolarHBondContact O-CB 3.38Å; R362-R366 VanDerWaalsContact O-CG 3.32Å; R362-R366 WeakPolarHBondContact O-CG 3.46Å; R362-R366 PolarHBondContact O-N 3.21Å
363	Q	95.1	Very high	94.4	Very high	112 Å²	112	75.8 Å²	75.8	52%	0.523	35%	0.349	S	S	.	.	H	α-helix	trans	-65	-44.1	176.7	-71.5	173.6	4.9	0	0	111.2	E359 K360 R366 K367	E359-Q363 WeakPolarHBondContact O-CG 3.36Å; E359-Q363 PolarHBondContact O-N 3.19Å; E359-Q363 PolarHBondContact OE1-NE2 3.49Å; K360-Q363 PolarHBondContact O-N 2.81Å; Q363-R366 PolarHBondContact O-N 3.35Å; Q363-K367 WeakPolarHBondContact O-CB 3.28Å; Q363-K367 PolarHBondContact O-N 2.99Å
364	H	95.1	Very high	94.2	Very high	69 Å²	69	75.6 Å²	75.6	32%	0.319	35%	0.346	S	S	.	.	H	α-helix	trans	-59.8	-52.1	174.8	-177	62.9	0	0	0	111.7	D296 T300 K360 L361 R366 K367 V368	D296-H364 IonicContact OD1-NE2 3.48Å; D296-H364 PolarHBondContact OD1-NE2 3.15Å; D296-H364 IonicContact OD2-CD2 3.98Å; D296-H364 IonicContact OD2-CE1 3.92Å; D296-H364 PolarHBondContact OD2-CE1 3.15Å; D296-H364 IonicContact OD2-NE2 2.81Å; D296-H364 PolarHBondContact OD2-NE2 2.94Å; T300-H364 PolarHBondContact OG1-CD2 2.9Å; T300-H364 VanDerWaalsContact OG1-CD2 3.3Å; K360-H364 PolarHBondContact O-N 3.29Å; L361-H364 PolarHBondContact O-N 3.12Å; H364-R366 VanDerWaalsContact C-N 3.32Å; H364-R366 PolarHBondContact O-N 3.5Å; H364-K367 WeakPolarHBondContact O-CB 3.25Å; H364-K367 PolarHBondContact O-N 3.34Å; H364-V368 WeakPolarHBondContact O-CG2 3.49Å; H364-V368 PolarHBondContact O-N 2.92Å
365	Y	95.9	Very high	93.9	Very high	60 Å²	60	78.2 Å²	78.2	24%	0.235	37%	0.369	C	S	.	.	H	α-helix	trans	-55.5	-47.1	177.4	-173.2	-80.8	0	0	0	111.7	M297 T300 R301 L361 K367 V368 E369	M297-Y365 HydrophobicContact CB-CD2 4.21Å; M297-Y365 HydrophobicContact CB-CE2 3.86Å; M297-Y365 HydrophobicContact CE-CD1 4.25Å; M297-Y365 HydrophobicContact CE-CD2 4.3Å; M297-Y365 HydrophobicContact CE-CE1 3.55Å; M297-Y365 HydrophobicContact CE-CE2 3.63Å; M297-Y365 VanDerWaalsContact CE-OH 3.24Å; M297-Y365 WeakPolarHBondContact CE-OH 3.31Å; M297-Y365 HydrophobicContact CG-CD2 4.41Å; M297-Y365 HydrophobicContact CG-CE2 4.29Å; M297-Y365 WeakPolarHBondContact O-CD2 3.34Å; M297-Y365 WeakPolarHBondContact O-CE2 3.26Å; T300-Y365 HydrophobicContact CG2-CD2 4.4Å; R301-Y365 HydrophobicContact CB-CD2 4.42Å; R301-Y365 HydrophobicContact CB-CE2 4.13Å; L361-Y365 WeakPolarHBondContact O-CB 3.45Å; L361-Y365 PolarHBondContact O-N 3.23Å; Y365-K367 VanDerWaalsContact C-N 3.31Å; Y365-K367 PolarHBondContact O-N 3.35Å; Y365-V368 PolarHBondContact O-N 3.02Å; Y365-E369 HydrophobicContact CD1-CB 4.42Å; Y365-E369 HydrophobicContact CE1-CB 4.3Å; Y365-E369 VanDerWaalsContact O-CB 3.25Å; Y365-E369 WeakPolarHBondContact O-CB 3.16Å; Y365-E369 PolarHBondContact O-N 3.06Å
366	R	94.3	Very high	93.6	Very high	141 Å²	141	77.3 Å²	77.3	53%	0.532	36%	0.363	S	S	.	.	H	α-helix	trans	-62.9	-36.9	177.8	-79.4	177.2	176.3	173	0	112.5	R362 Q363 H364 K370	R362-R366 WeakPolarHBondContact O-CB 3.38Å; R362-R366 VanDerWaalsContact O-CG 3.32Å; R362-R366 WeakPolarHBondContact O-CG 3.46Å; R362-R366 PolarHBondContact O-N 3.21Å; Q363-R366 PolarHBondContact O-N 3.35Å; H364-R366 VanDerWaalsContact C-N 3.32Å; H364-R366 PolarHBondContact O-N 3.5Å; R366-K370 WeakPolarHBondContact O-CB 3.39Å; R366-K370 WeakPolarHBondContact O-CG 3.28Å; R366-K370 PolarHBondContact O-N 2.92Å
367	K	93.5	Very high	93.2	Very high	106 Å²	106	74.6 Å²	74.6	46%	0.461	35%	0.35	S	S	.	.	H	α-helix	trans	-64.1	-50.7	176.6	-175.9	-173.3	172.3	-170.8	0	110.3	Q363 H364 Y365 E369 Q371 D372	Q363-K367 WeakPolarHBondContact O-CB 3.28Å; Q363-K367 PolarHBondContact O-N 2.99Å; H364-K367 WeakPolarHBondContact O-CB 3.25Å; H364-K367 PolarHBondContact O-N 3.34Å; Y365-K367 VanDerWaalsContact C-N 3.31Å; Y365-K367 PolarHBondContact O-N 3.35Å; K367-E369 PolarHBondContact O-N 2.92Å; K367-Q371 WeakPolarHBondContact O-CA 3.22Å; K367-Q371 VanDerWaalsContact O-CB 3.29Å; K367-Q371 WeakPolarHBondContact O-CB 3.42Å; K367-Q371 PolarHBondContact O-N 3.49Å; K367-D372 PolarHBondContact O-N 3.4Å; K367-D372 VanDerWaalsContact O-N 3.07Å
368	V	92.5	Very high	92.8	Very high	4 Å²	4	75.2 Å²	75.2	2%	0.024	36%	0.36	C	S	.	.	I	π-helix	trans	-61	-46.6	178.9	-178	0	0	0	0	110.7	M293 M297 H364 Y365 D372 I373	M293-V368 HydrophobicContact CB-CG1 4.22Å; M297-V368 HydrophobicContact CG-CB 3.96Å; M297-V368 HydrophobicContact CG-CG1 3.53Å; M297-V368 HydrophobicContact SD-CB 4.47Å; M297-V368 HydrophobicContact SD-CG1 3.91Å; H364-V368 WeakPolarHBondContact O-CG2 3.49Å; H364-V368 PolarHBondContact O-N 2.92Å; Y365-V368 PolarHBondContact O-N 3.02Å; V368-D372 PolarHBondContact O-N 2.92Å; V368-I373 HydrophobicContact CG1-CD1 4.37Å; V368-I373 HydrophobicContact CG1-CG1 4.27Å; V368-I373 WeakPolarHBondContact O-CB 3.2Å; V368-I373 WeakPolarHBondContact O-CG1 3.43Å; V368-I373 PolarHBondContact O-N 3.34Å
369	E	93.2	Very high	92.1	Very high	84 Å²	84	77.5 Å²	77.5	39%	0.393	38%	0.379	S	S	.	.	I	π-helix	trans	-66.7	-45.9	-178.1	-175.2	178.3	-127.1	0	0	113.6	M297 Y365 K367 P374	M297-E369 HydrophobicContact CE-CB 3.62Å; M297-E369 HydrophobicContact CE-CG 3.9Å; M297-E369 HydrophobicContact SD-CB 4.27Å; Y365-E369 HydrophobicContact CD1-CB 4.42Å; Y365-E369 HydrophobicContact CE1-CB 4.3Å; Y365-E369 VanDerWaalsContact O-CB 3.25Å; Y365-E369 WeakPolarHBondContact O-CB 3.16Å; Y365-E369 PolarHBondContact O-N 3.06Å; K367-E369 PolarHBondContact O-N 2.92Å; E369-P374 VanDerWaalsContact O-CD 3.28Å; E369-P374 WeakPolarHBondContact O-CD 3.48Å
370	K	91.9	Very high	91.5	Very high	144 Å²	144	75.6 Å²	75.6	63%	0.626	37%	0.37	S	S	*	.	I	π-helix	trans	-99	-16.9	-169.4	-61.2	-167.8	173.1	-167.1	0	114.5	R366	R366-K370 WeakPolarHBondContact O-CB 3.39Å; R366-K370 WeakPolarHBondContact O-CG 3.28Å; R366-K370 PolarHBondContact O-N 2.92Å
371	Q	92	Very high	90.9	Very high	122 Å²	122	72.8 Å²	72.8	57%	0.57	36%	0.359	S	S	*	.	I	π-helix	trans	-120	-61.5	-178.1	-62.2	-177.3	-21.4	0	0	110.7	K367 P374 A375	K367-Q371 WeakPolarHBondContact O-CA 3.22Å; K367-Q371 VanDerWaalsContact O-CB 3.29Å; K367-Q371 WeakPolarHBondContact O-CB 3.42Å; K367-Q371 PolarHBondContact O-N 3.49Å; Q371-P374 WeakPolarHBondContact O-CD 3.32Å; Q371-A375 WeakPolarHBondContact O-CB 3.35Å; Q371-A375 PolarHBondContact O-N 3.49Å
372	D	91.8	Very high	90.2	Very high	56 Å²	56	77.9 Å²	77.9	30%	0.299	38%	0.38	S	S	.	.	I	π-helix	trans	-68.8	-46.3	-167.9	-54.5	-31.5	0	0	0	111	M293 K367 V368 A375 S376	M293-D372 HydrophobicContact CE-CB 3.36Å; M293-D372 WeakPolarHBondContact CE-O 3.49Å; K367-D372 PolarHBondContact O-N 3.4Å; K367-D372 VanDerWaalsContact O-N 3.07Å; V368-D372 PolarHBondContact O-N 2.92Å; D372-A375 PolarHBondContact O-N 3.4Å; D372-S376 WeakPolarHBondContact O-CB 3.41Å; D372-S376 PolarHBondContact O-N 2.77Å
373	I	91.3	Very high	89.2	Confident	22 Å²	22	78.3 Å²	78.3	11%	0.113	39%	0.387	C	S	.	.	H	α-helix	trans	-60.5	-54.7	178.4	-76.3	179.6	0	0	0	111.4	W284 M293 M297 V368 A375 S376 Q377	W284-I373 HydrophobicContact CH2-CB 4.29Å; W284-I373 HydrophobicContact CH2-CD1 4.48Å; W284-I373 HydrophobicContact CH2-CG1 4.13Å; W284-I373 HydrophobicContact CH2-CG2 3.55Å; W284-I373 HydrophobicContact CZ2-CG1 4.44Å; W284-I373 HydrophobicContact CZ2-CG2 4.09Å; W284-I373 HydrophobicContact CZ3-CG2 4.29Å; M293-I373 HydrophobicContact CB-CG1 4.2Å; M293-I373 HydrophobicContact CE-CB 4.39Å; M293-I373 HydrophobicContact CE-CG1 3.76Å; M293-I373 VanDerWaalsContact CE-N 3.33Å; M293-I373 HydrophobicContact SD-CG1 4.47Å; M297-I373 HydrophobicContact SD-CD1 3.3Å; M297-I373 WeakPolarHBondContact SD-CD1 3.34Å; M297-I373 HydrophobicContact SD-CG1 4.5Å; V368-I373 HydrophobicContact CG1-CD1 4.37Å; V368-I373 HydrophobicContact CG1-CG1 4.27Å; V368-I373 WeakPolarHBondContact O-CB 3.2Å; V368-I373 WeakPolarHBondContact O-CG1 3.43Å; V368-I373 PolarHBondContact O-N 3.34Å; I373-A375 VanDerWaalsContact C-N 3.29Å; I373-A375 PolarHBondContact O-N 2.7Å; I373-S376 PolarHBondContact O-N 3.32Å; I373-S376 VanDerWaalsContact O-N 3.17Å; I373-Q377 HydrophobicContact CG2-CG 4.33Å; I373-Q377 WeakPolarHBondContact O-CB 3.34Å; I373-Q377 WeakPolarHBondContact O-CG 3.21Å; I373-Q377 PolarHBondContact O-N 3.21Å
374	P	90.6	Very high	88.3	Confident	48 Å²	48	73.9 Å²	73.9	31%	0.312	37%	0.365	S	S	.	.	H	α-helix	trans	-58.5	-38.8	177.9	-28.2	36.4	0	0	0	113.4	E369 Q371 Q377 T378	E369-P374 VanDerWaalsContact O-CD 3.28Å; E369-P374 WeakPolarHBondContact O-CD 3.48Å; Q371-P374 WeakPolarHBondContact O-CD 3.32Å; P374-Q377 PolarHBondContact O-N 3.44Å; P374-T378 WeakPolarHBondContact O-CB 3.37Å; P374-T378 PolarHBondContact O-N 2.93Å; P374-T378 PolarHBondContact O-OG1 3.02Å
375	A	90	Very high	87.3	Confident	63 Å²	63	76.2 Å²	76.2	52%	0.521	38%	0.376	S	S	.	.	H	α-helix	trans	-64.2	-44.3	176.3	0	0	0	0	0	111.6	Q371 D372 I373 T378 A379	Q371-A375 WeakPolarHBondContact O-CB 3.35Å; Q371-A375 PolarHBondContact O-N 3.49Å; D372-A375 PolarHBondContact O-N 3.4Å; I373-A375 VanDerWaalsContact C-N 3.29Å; I373-A375 PolarHBondContact O-N 2.7Å; A375-T378 PolarHBondContact O-N 3.42Å; A375-A379 WeakPolarHBondContact O-CB 3.47Å; A375-A379 PolarHBondContact O-N 2.83Å
376	S	87	Confident	86.1	Confident	22 Å²	22	79.2 Å²	79.2	15%	0.154	39%	0.392	C	S	.	.	H	α-helix	trans	-66.2	-40.4	176.9	-177.1	0	0	0	0	112.2	W284 N289 D372 I373 A379 F380	W284-S376 PolarHBondContact NE1-OG 3.17Å; N289-S376 PolarHBondContact ND2-OG 3.36Å; N289-S376 VanDerWaalsContact ND2-OG 3.08Å; D372-S376 WeakPolarHBondContact O-CB 3.41Å; D372-S376 PolarHBondContact O-N 2.77Å; I373-S376 PolarHBondContact O-N 3.32Å; I373-S376 VanDerWaalsContact O-N 3.17Å; S376-A379 PolarHBondContact O-N 3.33Å; S376-F380 WeakPolarHBondContact O-CB 3.33Å; S376-F380 PolarHBondContact O-N 2.96Å
377	Q	88.1	Confident	84.7	Confident	60 Å²	60	80.4 Å²	80.4	28%	0.28	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-47.3	175.3	-78.4	179.4	-24.3	0	0	111.4	N281 W284 I373 P374 A379 F380 E381	N281-Q377 PolarHBondContact OD1-NE2 3.21Å; W284-Q377 HydrophobicContact CD2-CB 4.47Å; W284-Q377 HydrophobicContact CD2-CG 3.36Å; W284-Q377 VanDerWaalsContact CE2-CG 3.46Å; W284-Q377 HydrophobicContact CE3-CG 3.5Å; W284-Q377 VanDerWaalsContact CE3-CG 3.5Å; W284-Q377 VanDerWaalsContact CE3-NE2 3.26Å; W284-Q377 HydrophobicContact CG-CG 3.98Å; W284-Q377 HydrophobicContact CH2-CG 3.88Å; W284-Q377 HydrophobicContact CZ2-CG 3.73Å; W284-Q377 HydrophobicContact CZ3-CG 3.76Å; I373-Q377 HydrophobicContact CG2-CG 4.33Å; I373-Q377 WeakPolarHBondContact O-CB 3.34Å; I373-Q377 WeakPolarHBondContact O-CG 3.21Å; I373-Q377 PolarHBondContact O-N 3.21Å; P374-Q377 PolarHBondContact O-N 3.44Å; Q377-A379 VanDerWaalsContact C-N 3.34Å; Q377-A379 PolarHBondContact O-N 3.34Å; Q377-F380 PolarHBondContact O-N 2.86Å; Q377-E381 WeakPolarHBondContact O-CB 3.48Å; Q377-E381 PolarHBondContact O-N 3.08Å
378	T	87	Confident	83.5	Confident	92 Å²	92	75.4 Å²	75.4	56%	0.564	38%	0.375	S	S	*	.	H	α-helix	trans	-63.1	-41.5	179.9	-55.1	0	0	0	0	111.5	P374 A375 E381 K382	P374-T378 WeakPolarHBondContact O-CB 3.37Å; P374-T378 PolarHBondContact O-N 2.93Å; P374-T378 PolarHBondContact O-OG1 3.02Å; A375-T378 PolarHBondContact O-N 3.42Å; T378-E381 PolarHBondContact O-N 3.49Å; T378-K382 PolarHBondContact O-N 2.95Å; T378-K382 VanDerWaalsContact O-N 3.14Å
379	A	83.7	Confident	82.2	Confident	53 Å²	53	77.5 Å²	77.5	44%	0.438	39%	0.393	S	S	.	.	H	α-helix	trans	-63.5	-43.6	176.2	0	0	0	0	0	111.9	A375 S376 Q377 K382 Q383	A375-A379 WeakPolarHBondContact O-CB 3.47Å; A375-A379 PolarHBondContact O-N 2.83Å; S376-A379 PolarHBondContact O-N 3.33Å; Q377-A379 VanDerWaalsContact C-N 3.34Å; Q377-A379 PolarHBondContact O-N 3.34Å; A379-K382 PolarHBondContact O-N 2.93Å; A379-Q383 PolarHBondContact O-N 2.71Å
380	F	82.7	Confident	81.1	Confident	32 Å²	32	77.3 Å²	77.3	14%	0.14	40%	0.401	C	S	.	.	H	α-helix	trans	-65.6	-43.7	177	-178.2	-85.4	0	0	0	112	S280 A283 W284 T287 S376 Q377 K382 Q383 W384	S280-F380 WeakPolarHBondContact O-CD1 3.48Å; S280-F380 WeakPolarHBondContact O-CE1 3.43Å; A283-F380 HydrophobicContact CB-CE1 3.58Å; A283-F380 HydrophobicContact CB-CZ 3.57Å; W284-F380 HydrophobicContact CB-CB 4.35Å; W284-F380 HydrophobicContact CB-CD1 3.57Å; W284-F380 HydrophobicContact CB-CD2 4.48Å; W284-F380 HydrophobicContact CB-CE1 3.99Å; W284-F380 HydrophobicContact CB-CG 3.86Å; W284-F380 AromaticContact CD1-CG 3.74Å; W284-F380 HydrophobicContact CG-CB 4.26Å; W284-F380 HydrophobicContact CG-CD1 4.36Å; W284-F380 HydrophobicContact CG-CG 4.2Å; T287-F380 HydrophobicContact CG2-CD2 3.88Å; T287-F380 HydrophobicContact CG2-CE2 3.53Å; T287-F380 HydrophobicContact CG2-CZ 4.35Å; S376-F380 WeakPolarHBondContact O-CB 3.33Å; S376-F380 PolarHBondContact O-N 2.96Å; Q377-F380 PolarHBondContact O-N 2.86Å; F380-K382 VanDerWaalsContact C-N 3.28Å; F380-K382 PolarHBondContact O-N 3.17Å; F380-Q383 WeakPolarHBondContact O-CB 3.29Å; F380-Q383 PolarHBondContact O-N 3Å; F380-Q383 VanDerWaalsContact O-N 3.1Å; F380-W384 HydrophobicContact CD1-CB 4.36Å; F380-W384 HydrophobicContact CE1-CB 4.05Å; F380-W384 HydrophobicContact CE1-CD2 4.25Å; F380-W384 AromaticContact CE1-CE3 3.85Å; F380-W384 HydrophobicContact CE1-CE3 3.85Å; F380-W384 HydrophobicContact CE1-CG 4.36Å; F380-W384 AromaticContact CZ-CE3 3.8Å; F380-W384 HydrophobicContact CZ-CE3 3.8Å; F380-W384 HydrophobicContact CZ-CZ3 4.4Å; F380-W384 WeakPolarHBondContact O-CB 3.39Å; F380-W384 PolarHBondContact O-N 3.22Å
381	E	82.5	Confident	80.1	Confident	91 Å²	91	71.4 Å²	71.4	43%	0.425	38%	0.38	S	S	.	.	H	α-helix	trans	-59	-41.5	178.6	-179.8	169.2	-150.5	0	0	111.6	Q377 T378 Q383 W384 Q385	Q377-E381 WeakPolarHBondContact O-CB 3.48Å; Q377-E381 PolarHBondContact O-N 3.08Å; T378-E381 PolarHBondContact O-N 3.49Å; E381-Q383 VanDerWaalsContact C-N 3.33Å; E381-Q383 PolarHBondContact O-N 2.91Å; E381-W384 PolarHBondContact O-N 2.82Å; E381-Q385 VanDerWaalsContact O-CG 3.31Å; E381-Q385 WeakPolarHBondContact O-CG 3.46Å; E381-Q385 PolarHBondContact O-N 3.05Å
382	K	81.1	Confident	79.1	Confident	143 Å²	143	66.9 Å²	66.9	62%	0.622	36%	0.36	S	S	*	.	H	α-helix	trans	-61.5	-41.1	175.6	-168.1	177.3	-178.4	-179.7	0	112.2	T378 A379 F380 Q386	T378-K382 PolarHBondContact O-N 2.95Å; T378-K382 VanDerWaalsContact O-N 3.14Å; A379-K382 PolarHBondContact O-N 2.93Å; F380-K382 VanDerWaalsContact C-N 3.28Å; F380-K382 PolarHBondContact O-N 3.17Å; K382-Q386 WeakPolarHBondContact O-CG 3.46Å; K382-Q386 PolarHBondContact O-N 3Å
383	Q	73.7	Confident	78.2	Confident	121 Å²	121	66.7 Å²	66.7	57%	0.565	37%	0.366	S	S	*	.	H	α-helix	trans	-67.9	-42.1	175.3	-69.5	178.3	-10.2	0	0	111.7	A379 F380 E381 Q385 Q386 W387	A379-Q383 PolarHBondContact O-N 2.71Å; F380-Q383 WeakPolarHBondContact O-CB 3.29Å; F380-Q383 PolarHBondContact O-N 3Å; F380-Q383 VanDerWaalsContact O-N 3.1Å; E381-Q383 VanDerWaalsContact C-N 3.33Å; E381-Q383 PolarHBondContact O-N 2.91Å; Q383-Q385 PolarHBondContact O-N 2.82Å; Q383-Q386 PolarHBondContact O-N 2.8Å; Q383-W387 PolarHBondContact O-N 3.02Å
384	W	77.3	Confident	77.4	Confident	19 Å²	19	68 Å²	68	7%	0.072	38%	0.381	C	S	.	.	I	π-helix	trans	-60.7	-42.2	177.9	-175.3	-93.5	0	0	0	112.4	V252 L256 P277 A283 F380 E381 Q386 G388 A389 L392	V252-W384 HydrophobicContact CG1-CZ3 4.35Å; L256-W384 HydrophobicContact CD1-CE3 4.27Å; L256-W384 HydrophobicContact CD1-CZ3 3.89Å; P277-W384 HydrophobicContact CB-CH2 4.26Å; P277-W384 HydrophobicContact CG-CH2 4.34Å; P277-W384 WeakPolarHBondContact O-CZ2 3.36Å; A283-W384 HydrophobicContact CB-CD2 4.21Å; A283-W384 HydrophobicContact CB-CE3 3.64Å; A283-W384 HydrophobicContact CB-CH2 3.71Å; A283-W384 HydrophobicContact CB-CZ2 4.26Å; A283-W384 HydrophobicContact CB-CZ3 3.35Å; F380-W384 HydrophobicContact CD1-CB 4.36Å; F380-W384 HydrophobicContact CE1-CB 4.05Å; F380-W384 HydrophobicContact CE1-CD2 4.25Å; F380-W384 AromaticContact CE1-CE3 3.85Å; F380-W384 HydrophobicContact CE1-CE3 3.85Å; F380-W384 HydrophobicContact CE1-CG 4.36Å; F380-W384 AromaticContact CZ-CE3 3.8Å; F380-W384 HydrophobicContact CZ-CE3 3.8Å; F380-W384 HydrophobicContact CZ-CZ3 4.4Å; F380-W384 WeakPolarHBondContact O-CB 3.39Å; F380-W384 PolarHBondContact O-N 3.22Å; E381-W384 PolarHBondContact O-N 2.82Å; W384-Q386 VanDerWaalsContact C-N 3.33Å; W384-Q386 PolarHBondContact O-N 2.82Å; W384-G388 WeakPolarHBondContact O-CA 3.31Å; W384-G388 PolarHBondContact O-N 3.36Å; W384-A389 PolarHBondContact O-N 3.07Å; W384-A389 VanDerWaalsContact O-N 3.13Å; W384-L392 HydrophobicContact CZ2-CD1 4.27Å
385	Q	74.4	Confident	76.4	Confident	118 Å²	118	66.5 Å²	66.5	55%	0.551	37%	0.37	S	S	*	.	I	π-helix	trans	-65.6	-36.8	176.5	-70.8	-65	-15.8	0	0	112.4	E381 Q383	E381-Q385 VanDerWaalsContact O-CG 3.31Å; E381-Q385 WeakPolarHBondContact O-CG 3.46Å; E381-Q385 PolarHBondContact O-N 3.05Å; Q383-Q385 PolarHBondContact O-N 2.82Å
386	Q	69.8	Low	75.8	Confident	123 Å²	123	70.3 Å²	70.3	58%	0.575	37%	0.371	S	S	*	.	I	π-helix	trans	-76.4	-41.1	-179.4	-77.9	179.5	-12.3	0	0	112.9	K382 Q383 W384	K382-Q386 WeakPolarHBondContact O-CG 3.46Å; K382-Q386 PolarHBondContact O-N 3Å; Q383-Q386 PolarHBondContact O-N 2.8Å; W384-Q386 VanDerWaalsContact C-N 3.33Å; W384-Q386 PolarHBondContact O-N 2.82Å
387	W	65	Low	75.6	Confident	166 Å²	166	74 Å²	74	63%	0.629	39%	0.392	S	S	*	.	I	π-helix	trans	-112.8	-45.8	-169.3	-62.2	56.9	0	0	0	111.7	Q383 A389 S390 G391	Q383-W387 PolarHBondContact O-N 3.02Å; W387-A389 PolarHBondContact O-N 2.95Å; W387-S390 PolarHBondContact O-N 2.87Å; W387-G391 PolarHBondContact O-N 2.95Å
388	G	67.1	Low	74.9	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	40%	0.4	C	S	.	.	I	π-helix	trans	-58.1	-51.2	-178.3	0	0	0	0	0	113.1	W384 S390 L392	W384-G388 WeakPolarHBondContact O-CA 3.31Å; W384-G388 PolarHBondContact O-N 3.36Å; G388-S390 PolarHBondContact O-N 3.44Å; G388-L392 WeakPolarHBondContact O-CB 3.31Å; G388-L392 PolarHBondContact O-N 3.16Å; G388-L392 VanDerWaalsContact O-N 3.09Å
389	A	66	Low	74.3	Confident	48 Å²	48	72.2 Å²	72.2	40%	0.397	38%	0.378	S	S	.	.	H	α-helix	trans	-64.4	-41.2	-178.9	0	0	0	0	0	112.9	W384 W387 A393	W384-A389 PolarHBondContact O-N 3.07Å; W384-A389 VanDerWaalsContact O-N 3.13Å; W387-A389 PolarHBondContact O-N 2.95Å; A389-A393 WeakPolarHBondContact O-CB 3.44Å; A389-A393 PolarHBondContact O-N 3.31Å; A389-A393 VanDerWaalsContact O-N 3.07Å
390	S	70.1	Confident	74.1	Confident	81 Å²	81	74.9 Å²	74.9	57%	0.566	39%	0.385	S	S	*	.	H	α-helix	trans	-66.7	-45.9	179.1	-174.8	0	0	0	0	111.8	W387 G388 L392 A393 A394	W387-S390 PolarHBondContact O-N 2.87Å; G388-S390 PolarHBondContact O-N 3.44Å; S390-L392 PolarHBondContact O-N 3.33Å; S390-A393 PolarHBondContact O-N 3.13Å; S390-A394 PolarHBondContact O-N 3.44Å
391	G	71.5	Confident	74.1	Confident	19 Å²	19	79.7 Å²	79.7	20%	0.196	41%	0.405	C	S	.	.	H	α-helix	trans	-60.5	-46.2	177.3	0	0	0	0	0	112.4	W387 A393 A394 L395	W387-G391 PolarHBondContact O-N 2.95Å; G391-A393 VanDerWaalsContact C-N 3.32Å; G391-A393 PolarHBondContact O-N 2.98Å; G391-A394 PolarHBondContact O-N 3.11Å; G391-L395 WeakPolarHBondContact O-CG 3.41Å; G391-L395 PolarHBondContact O-N 3.3Å
392	L	70.6	Confident	73.8	Confident	27 Å²	27	78.6 Å²	78.6	14%	0.141	40%	0.397	C	S	.	.	H	α-helix	trans	-60.4	-38.6	175.2	-95.4	146.1	0	0	0	112.9	I273 L276 W384 G388 S390 R396	I273-L392 HydrophobicContact CG2-CD2 4.47Å; L276-L392 HydrophobicContact CB-CD2 4.42Å; L276-L392 HydrophobicContact CD1-CD1 4.47Å; L276-L392 HydrophobicContact CD1-CD2 3.91Å; L276-L392 HydrophobicContact CD1-CG 3.99Å; W384-L392 HydrophobicContact CZ2-CD1 4.27Å; G388-L392 WeakPolarHBondContact O-CB 3.31Å; G388-L392 PolarHBondContact O-N 3.16Å; G388-L392 VanDerWaalsContact O-N 3.09Å; S390-L392 PolarHBondContact O-N 3.33Å; L392-R396 VanDerWaalsContact O-CG 3.3Å; L392-R396 WeakPolarHBondContact O-CG 3.17Å; L392-R396 PolarHBondContact O-N 3.1Å; L392-R396 VanDerWaalsContact O-N 3.1Å
393	A	73.1	Confident	73.7	Confident	52 Å²	52	74.3 Å²	74.3	43%	0.43	38%	0.379	S	S	.	.	H	α-helix	trans	-65.7	-44.4	175.9	0	0	0	0	0	111.6	A389 S390 G391 L395 R396 V397	A389-A393 WeakPolarHBondContact O-CB 3.44Å; A389-A393 PolarHBondContact O-N 3.31Å; A389-A393 VanDerWaalsContact O-N 3.07Å; S390-A393 PolarHBondContact O-N 3.13Å; G391-A393 VanDerWaalsContact C-N 3.32Å; G391-A393 PolarHBondContact O-N 2.98Å; A393-L395 PolarHBondContact O-N 3.49Å; A393-R396 PolarHBondContact O-N 3.43Å; A393-V397 WeakPolarHBondContact O-CG2 3.29Å; A393-V397 PolarHBondContact O-N 3.29Å; A393-V397 VanDerWaalsContact O-N 3.1Å
394	A	73.4	Confident	74.2	Confident	51 Å²	51	75.4 Å²	75.4	42%	0.421	38%	0.384	S	S	.	.	H	α-helix	trans	-61.4	-43.4	177	0	0	0	0	0	112.1	S390 G391 R396 V397 Q398	S390-A394 PolarHBondContact O-N 3.44Å; G391-A394 PolarHBondContact O-N 3.11Å; A394-R396 VanDerWaalsContact C-N 3.33Å; A394-R396 PolarHBondContact O-N 2.87Å; A394-V397 PolarHBondContact O-N 3.23Å; A394-Q398 PolarHBondContact O-N 2.82Å
395	L	71.6	Confident	74.4	Confident	16 Å²	16	77.6 Å²	77.6	8%	0.084	40%	0.395	C	S	.	.	H	α-helix	trans	-59.1	-42.8	175.2	-71.6	173.4	0	0	0	112.1	L260 I272 I273 L276 G391 A393 V397 Q398 L399	L260-L395 HydrophobicContact CD1-CD2 3.18Å; L260-L395 HydrophobicContact CG-CD2 4.04Å; I272-L395 HydrophobicContact CG2-CD1 4.18Å; I273-L395 HydrophobicContact CD1-CB 4.29Å; I273-L395 HydrophobicContact CG1-CB 4.24Å; L276-L395 HydrophobicContact CD1-CD1 4.12Å; G391-L395 WeakPolarHBondContact O-CG 3.41Å; G391-L395 PolarHBondContact O-N 3.3Å; A393-L395 PolarHBondContact O-N 3.49Å; L395-V397 VanDerWaalsContact C-N 3.34Å; L395-V397 PolarHBondContact O-N 2.71Å; L395-Q398 PolarHBondContact O-N 2.73Å; L395-L399 PolarHBondContact O-N 2.61Å
396	R	77.2	Confident	74.5	Confident	143 Å²	143	75.1 Å²	75.1	54%	0.54	39%	0.386	S	S	.	.	H	α-helix	trans	-63	-39	176.9	-73.8	171.5	-176.6	-88.7	-2.9	112.3	I273 L392 A393 A394 L399 L400	I273-R396 HydrophobicContact CD1-CG 4.08Å; L392-R396 VanDerWaalsContact O-CG 3.3Å; L392-R396 WeakPolarHBondContact O-CG 3.17Å; L392-R396 PolarHBondContact O-N 3.1Å; L392-R396 VanDerWaalsContact O-N 3.1Å; A393-R396 PolarHBondContact O-N 3.43Å; A394-R396 VanDerWaalsContact C-N 3.33Å; A394-R396 PolarHBondContact O-N 2.87Å; R396-L399 PolarHBondContact O-N 2.73Å; R396-L400 WeakPolarHBondContact O-CG 3.45Å; R396-L400 PolarHBondContact O-N 3.48Å; R396-L400 VanDerWaalsContact O-N 3.11Å
397	V	81	Confident	74.8	Confident	99 Å²	99	77.7 Å²	77.7	60%	0.6	39%	0.39	S	S	*	.	H	α-helix	trans	-65	-43.6	176.4	172.6	0	0	0	0	111.1	A393 A394 L395 L400 K401	A393-V397 WeakPolarHBondContact O-CG2 3.29Å; A393-V397 PolarHBondContact O-N 3.29Å; A393-V397 VanDerWaalsContact O-N 3.1Å; A394-V397 PolarHBondContact O-N 3.23Å; L395-V397 VanDerWaalsContact C-N 3.34Å; L395-V397 PolarHBondContact O-N 2.71Å; V397-L400 PolarHBondContact O-N 3.46Å; V397-K401 PolarHBondContact O-N 2.88Å; V397-K401 VanDerWaalsContact O-N 3.07Å
398	Q	75	Confident	75.5	Confident	94 Å²	94	76.4 Å²	76.4	44%	0.439	39%	0.385	S	S	.	.	H	α-helix	trans	-64.6	-40.8	177.5	-68.6	-174	12.9	0	0	112.3	A394 L395 L400 K401 R402	A394-Q398 PolarHBondContact O-N 2.82Å; L395-Q398 PolarHBondContact O-N 2.73Å; Q398-L400 PolarHBondContact O-N 3.08Å; Q398-K401 PolarHBondContact O-N 3.03Å; Q398-R402 WeakPolarHBondContact O-CB 3.45Å; Q398-R402 PolarHBondContact O-N 3.48Å
399	L	74.1	Confident	76	Confident	20 Å²	20	81.7 Å²	81.7	11%	0.105	41%	0.408	C	S	.	.	H	α-helix	trans	-56.6	-50.1	174.3	173.7	63.6	0	0	0	111.2	S266 L269 R270 I273 L395 R396 K401 R402 E403	S266-L399 VanDerWaalsContact O-CD1 3.31Å; S266-L399 WeakPolarHBondContact O-CD1 3.07Å; L269-L399 HydrophobicContact CB-CB 4.26Å; L269-L399 HydrophobicContact CB-CD1 3.87Å; L269-L399 HydrophobicContact CD1-CB 4.28Å; L269-L399 HydrophobicContact CD1-CD1 4.48Å; R270-L399 HydrophobicContact CG-CD1 3.94Å; R270-L399 HydrophobicContact CG-CD2 3.71Å; I273-L399 HydrophobicContact CD1-CB 4.4Å; I273-L399 HydrophobicContact CD1-CD2 3.94Å; L395-L399 PolarHBondContact O-N 2.61Å; R396-L399 PolarHBondContact O-N 2.73Å; L399-K401 PolarHBondContact O-N 2.99Å; L399-R402 PolarHBondContact O-N 3.02Å; L399-R402 VanDerWaalsContact O-N 3.17Å; L399-E403 HydrophobicContact CD1-CG 4.16Å; L399-E403 WeakPolarHBondContact CD1-OE1 3.34Å; L399-E403 WeakPolarHBondContact O-CG 3.39Å; L399-E403 PolarHBondContact O-N 2.92Å
400	L	79.2	Confident	76.4	Confident	110 Å²	110	85.4 Å²	85.4	58%	0.576	42%	0.417	S	S	*	.	H	α-helix	trans	-59.5	-45.8	179.9	-73.4	169.7	0	0	0	111.9	R396 V397 Q398 R402 E403 E404	R396-L400 WeakPolarHBondContact O-CG 3.45Å; R396-L400 PolarHBondContact O-N 3.48Å; R396-L400 VanDerWaalsContact O-N 3.11Å; V397-L400 PolarHBondContact O-N 3.46Å; Q398-L400 PolarHBondContact O-N 3.08Å; L400-R402 VanDerWaalsContact C-N 3.29Å; L400-R402 PolarHBondContact O-N 3.03Å; L400-E403 PolarHBondContact O-N 2.84Å; L400-E404 PolarHBondContact O-N 3.46Å
401	K	82.9	Confident	76.7	Confident	132 Å²	132	87.4 Å²	87.4	57%	0.574	42%	0.418	S	S	*	.	H	α-helix	trans	-59.3	-41.2	177	-172.9	-177.7	176.3	-172.3	0	111.6	V397 Q398 L399 E404 E405	V397-K401 PolarHBondContact O-N 2.88Å; V397-K401 VanDerWaalsContact O-N 3.07Å; Q398-K401 PolarHBondContact O-N 3.03Å; L399-K401 PolarHBondContact O-N 2.99Å; K401-E404 PolarHBondContact O-N 3.1Å; K401-E405 PolarHBondContact O-N 2.81Å
402	R	76.5	Confident	77.2	Confident	69 Å²	69	90.8 Å²	90.8	26%	0.26	43%	0.429	S	S	.	.	H	α-helix	trans	-70.3	-37.8	-179.5	-166.5	55.4	164.5	172.2	-3.6	112.6	A264 Q398 L399 L400 E404 E405 L406	A264-R402 PolarHBondContact O-NE 2.98Å; Q398-R402 WeakPolarHBondContact O-CB 3.45Å; Q398-R402 PolarHBondContact O-N 3.48Å; L399-R402 PolarHBondContact O-N 3.02Å; L399-R402 VanDerWaalsContact O-N 3.17Å; L400-R402 VanDerWaalsContact C-N 3.29Å; L400-R402 PolarHBondContact O-N 3.03Å; R402-E404 VanDerWaalsContact C-N 3.3Å; R402-E405 IonicContact CZ-OE2 2.76Å; R402-E405 IonicContact NH1-OE2 2.7Å; R402-E405 PolarHBondContact NH1-OE2 2.63Å; R402-E405 PolarHBondContact O-N 3.28Å; R402-L406 WeakPolarHBondContact O-CG 3.36Å; R402-L406 PolarHBondContact O-N 2.97Å; R402-L406 VanDerWaalsContact O-N 3.08Å
403	E	78.7	Confident	77.5	Confident	52 Å²	52	94.4 Å²	94.4	24%	0.243	45%	0.448	C	S	.	.	H	α-helix	trans	-62.7	-38.6	173.2	-72.2	177.3	177.2	0	0	111.8	R270 L399 L400 L406 R407	R270-E403 IonicContact CZ-OE1 2.78Å; R270-E403 VanDerWaalsContact CZ-OE1 3.27Å; R270-E403 IonicContact NE-OE1 3.38Å; R270-E403 PolarHBondContact NE-OE1 3.02Å; R270-E403 VanDerWaalsContact NE-OE1 3.09Å; R270-E403 IonicContact NH2-OE1 3.61Å; R270-E403 PolarHBondContact NH2-OE1 3.1Å; L399-E403 HydrophobicContact CD1-CG 4.16Å; L399-E403 WeakPolarHBondContact CD1-OE1 3.34Å; L399-E403 WeakPolarHBondContact O-CG 3.39Å; L399-E403 PolarHBondContact O-N 2.92Å; L400-E403 PolarHBondContact O-N 2.84Å; E403-L406 PolarHBondContact O-N 2.8Å; E403-R407 WeakPolarHBondContact O-CG 3.5Å; E403-R407 PolarHBondContact O-N 3.27Å
404	E	83.3	Confident	77.6	Confident	144 Å²	144	95.2 Å²	95.2	67%	0.673	45%	0.448	S	S	*	.	H	α-helix	trans	-66.1	-43.7	176	-168.6	171.1	-166	0	0	112.2	L400 K401 R402 L406 R407 R408	L400-E404 PolarHBondContact O-N 3.46Å; K401-E404 PolarHBondContact O-N 3.1Å; R402-E404 VanDerWaalsContact C-N 3.3Å; E404-L406 VanDerWaalsContact C-N 3.33Å; E404-L406 PolarHBondContact O-N 2.98Å; E404-R407 PolarHBondContact O-N 3.13Å; E404-R408 PolarHBondContact O-N 2.98Å
405	E	83	Confident	77.8	Confident	65 Å²	65	99 Å²	99	30%	0.304	46%	0.456	S	S	.	.	H	α-helix	trans	-60.6	-39.6	174.6	-76.1	176.3	-175.4	0	0	113	K401 R402 R408 K409	K401-E405 PolarHBondContact O-N 2.81Å; R402-E405 IonicContact CZ-OE2 2.76Å; R402-E405 IonicContact NH1-OE2 2.7Å; R402-E405 PolarHBondContact NH1-OE2 2.63Å; R402-E405 PolarHBondContact O-N 3.28Å; E405-R408 PolarHBondContact O-N 2.82Å; E405-K409 PolarHBondContact O-N 3.08Å; E405-K409 VanDerWaalsContact O-N 3.09Å
406	L	75.5	Confident	78.1	Confident	67 Å²	67	106.2 Å²	106.2	35%	0.351	48%	0.483	S	S	.	.	H	α-helix	trans	-64.9	-46.3	176.2	-76.9	169.2	0	0	0	111.4	S266 R402 E403 E404 R408 K409 E410	S266-L406 WeakPolarHBondContact OG-CD1 2.86Å; R402-L406 WeakPolarHBondContact O-CG 3.36Å; R402-L406 PolarHBondContact O-N 2.97Å; R402-L406 VanDerWaalsContact O-N 3.08Å; E403-L406 PolarHBondContact O-N 2.8Å; E404-L406 VanDerWaalsContact C-N 3.33Å; E404-L406 PolarHBondContact O-N 2.98Å; L406-R408 VanDerWaalsContact C-N 3.25Å; L406-R408 PolarHBondContact O-N 3.42Å; L406-K409 PolarHBondContact O-N 2.97Å; L406-E410 PolarHBondContact O-N 2.57Å
407	R	75.6	Confident	78	Confident	177 Å²	177	101.4 Å²	101.4	67%	0.668	47%	0.471	S	S	*	.	H	α-helix	trans	-59.5	-37.9	176	-73.7	-178.1	86	159.6	5.4	112	E403 E404 Q411	E403-R407 WeakPolarHBondContact O-CG 3.5Å; E403-R407 PolarHBondContact O-N 3.27Å; E404-R407 PolarHBondContact O-N 3.13Å; R407-Q411 WeakPolarHBondContact O-CG 3.4Å; R407-Q411 PolarHBondContact O-N 3.27Å; R407-Q411 VanDerWaalsContact O-N 3.13Å
408	R	80.5	Confident	77.6	Confident	138 Å²	138	104.7 Å²	104.7	52%	0.521	47%	0.473	S	S	.	.	H	α-helix	trans	-63.2	-47.1	175.8	-171.3	-177.7	67	127.9	-2	111.8	E404 E405 L406 E410 Q411 E412	E404-R408 PolarHBondContact O-N 2.98Å; E405-R408 PolarHBondContact O-N 2.82Å; L406-R408 VanDerWaalsContact C-N 3.25Å; L406-R408 PolarHBondContact O-N 3.42Å; R408-E410 PolarHBondContact O-N 3.39Å; R408-Q411 WeakPolarHBondContact O-CB 3.48Å; R408-Q411 PolarHBondContact O-N 3.41Å; R408-E412 IonicContact CZ-OE1 3.11Å; R408-E412 IonicContact NE-OE1 3.06Å; R408-E412 IonicContact NH1-OE1 2.66Å; R408-E412 WeakPolarHBondContact O-CG 3.47Å; R408-E412 PolarHBondContact O-N 3.03Å
409	K	78.2	Confident	77.6	Confident	111 Å²	111	103.1 Å²	103.1	48%	0.483	48%	0.476	S	S	.	.	H	α-helix	trans	-62.2	-42.6	177.5	-76.2	-174.3	176.3	-174.4	0	112.6	E405 L406 Q411 E412 D413	E405-K409 PolarHBondContact O-N 3.08Å; E405-K409 VanDerWaalsContact O-N 3.09Å; L406-K409 PolarHBondContact O-N 2.97Å; K409-Q411 VanDerWaalsContact C-N 3.27Å; K409-Q411 PolarHBondContact O-N 3.29Å; K409-E412 PolarHBondContact O-N 2.91Å; K409-D413 PolarHBondContact O-N 2.89Å
410	E	73.5	Confident	77.8	Confident	126 Å²	126	107.8 Å²	107.8	59%	0.589	50%	0.497	S	S	*	.	H	α-helix	trans	-60.7	-37.1	176.4	-74.8	-179.9	169.4	0	0	112.4	L406 R408 T414	L406-E410 PolarHBondContact O-N 2.57Å; R408-E410 PolarHBondContact O-N 3.39Å; E410-T414 VanDerWaalsContact O-CB 3.31Å; E410-T414 WeakPolarHBondContact O-CB 3.39Å; E410-T414 PolarHBondContact O-N 2.87Å; E410-T414 PolarHBondContact O-OG1 2.93Å
411	Q	77.2	Confident	77.8	Confident	123 Å²	123	110.5 Å²	110.5	58%	0.575	50%	0.5	S	S	*	.	H	α-helix	trans	-65.9	-48.4	174.1	-74.7	175.7	-11.4	0	0	111.5	R407 R408 K409 D413 T414 E415	R407-Q411 WeakPolarHBondContact O-CG 3.4Å; R407-Q411 PolarHBondContact O-N 3.27Å; R407-Q411 VanDerWaalsContact O-N 3.13Å; R408-Q411 WeakPolarHBondContact O-CB 3.48Å; R408-Q411 PolarHBondContact O-N 3.41Å; K409-Q411 VanDerWaalsContact C-N 3.27Å; K409-Q411 PolarHBondContact O-N 3.29Å; Q411-D413 PolarHBondContact O-N 2.99Å; Q411-T414 WeakPolarHBondContact O-CB 3.46Å; Q411-T414 PolarHBondContact O-N 3.43Å; Q411-E415 WeakPolarHBondContact O-CG 3.46Å; Q411-E415 PolarHBondContact O-N 2.9Å
412	E	82.3	Confident	77.5	Confident	91 Å²	91	111 Å²	111	43%	0.425	50%	0.498	S	S	.	.	H	α-helix	trans	-58	-45.1	177.6	-71.2	171.1	-175.3	0	0	111.7	R408 K409 T414 E415 R416	R408-E412 IonicContact CZ-OE1 3.11Å; R408-E412 IonicContact NE-OE1 3.06Å; R408-E412 IonicContact NH1-OE1 2.66Å; R408-E412 WeakPolarHBondContact O-CG 3.47Å; R408-E412 PolarHBondContact O-N 3.03Å; K409-E412 PolarHBondContact O-N 2.91Å; E412-T414 PolarHBondContact O-N 3.48Å; E412-E415 PolarHBondContact O-N 2.91Å; E412-R416 WeakPolarHBondContact O-CB 3.47Å; E412-R416 PolarHBondContact O-N 3.17Å
413	D	75.6	Confident	77.6	Confident	103 Å²	103	110.1 Å²	110.1	55%	0.551	51%	0.505	S	S	*	.	H	α-helix	trans	-66.5	-37.6	177.6	-75.6	-22.2	0	0	0	112.3	K409 Q411 R416 S417	K409-D413 PolarHBondContact O-N 2.89Å; Q411-D413 PolarHBondContact O-N 2.99Å; D413-R416 PolarHBondContact O-N 3.39Å; D413-S417 WeakPolarHBondContact O-CB 3.19Å; D413-S417 PolarHBondContact O-N 3.47Å
414	T	75.5	Confident	77.8	Confident	68 Å²	68	112.3 Å²	112.3	42%	0.417	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-42.2	175.8	-60.9	0	0	0	0	111.1	E410 Q411 E412 S417 R418	E410-T414 VanDerWaalsContact O-CB 3.31Å; E410-T414 WeakPolarHBondContact O-CB 3.39Å; E410-T414 PolarHBondContact O-N 2.87Å; E410-T414 PolarHBondContact O-OG1 2.93Å; Q411-T414 WeakPolarHBondContact O-CB 3.46Å; Q411-T414 PolarHBondContact O-N 3.43Å; E412-T414 PolarHBondContact O-N 3.48Å; T414-S417 PolarHBondContact O-N 3.16Å; T414-R418 WeakPolarHBondContact O-CG 3.38Å; T414-R418 PolarHBondContact O-N 2.85Å
415	E	77.5	Confident	77.8	Confident	130 Å²	130	107.2 Å²	107.2	61%	0.607	49%	0.492	S	S	*	.	H	α-helix	trans	-64.5	-43.3	175.5	-73.7	-177.8	174.6	0	0	111.5	Q411 E412 S417 R418 A419	Q411-E415 WeakPolarHBondContact O-CG 3.46Å; Q411-E415 PolarHBondContact O-N 2.9Å; E412-E415 PolarHBondContact O-N 2.91Å; E415-S417 PolarHBondContact O-N 2.8Å; E415-R418 PolarHBondContact O-N 2.88Å; E415-A419 PolarHBondContact O-N 3.07Å
416	R	77.5	Confident	77.8	Confident	168 Å²	168	105.8 Å²	105.8	63%	0.634	49%	0.486	S	S	*	.	H	α-helix	trans	-59.3	-47.6	175.3	-166.4	179.3	-167.7	177.6	5.9	112	E412 D413 R418 A419 E420	E412-R416 WeakPolarHBondContact O-CB 3.47Å; E412-R416 PolarHBondContact O-N 3.17Å; D413-R416 PolarHBondContact O-N 3.39Å; R416-R418 VanDerWaalsContact C-N 3.29Å; R416-R418 PolarHBondContact O-N 2.89Å; R416-A419 PolarHBondContact O-N 3.06Å; R416-E420 IonicContact NE-OE1 3.25Å; R416-E420 WeakPolarHBondContact O-CG 3.35Å; R416-E420 PolarHBondContact O-N 3.05Å
417	S	75	Confident	78.1	Confident	42 Å²	42	111.1 Å²	111.1	29%	0.294	50%	0.502	S	S	.	.	H	α-helix	trans	-62.8	-33.9	177.1	-179	0	0	0	0	113.1	D413 T414 E415 R421	D413-S417 WeakPolarHBondContact O-CB 3.19Å; D413-S417 PolarHBondContact O-N 3.47Å; T414-S417 PolarHBondContact O-N 3.16Å; E415-S417 PolarHBondContact O-N 2.8Å; S417-R421 PolarHBondContact O-N 3.28Å; S417-R421 VanDerWaalsContact O-N 3.16Å; S417-R421 PolarHBondContact O-NE 3.16Å; S417-R421 PolarHBondContact OG-NH2 3.02Å
418	R	74	Confident	78.5	Confident	169 Å²	169	107.4 Å²	107.4	64%	0.638	49%	0.49	S	S	*	.	H	α-helix	trans	-69.5	-42.4	174	-75.8	174.8	178.8	177.8	1.2	111.4	T414 E415 R416 R421 R422	T414-R418 WeakPolarHBondContact O-CG 3.38Å; T414-R418 PolarHBondContact O-N 2.85Å; E415-R418 PolarHBondContact O-N 2.88Å; R416-R418 VanDerWaalsContact C-N 3.29Å; R416-R418 PolarHBondContact O-N 2.89Å; R418-R421 PolarHBondContact O-N 3.42Å; R418-R422 WeakPolarHBondContact O-CB 3.43Å; R418-R422 PolarHBondContact O-N 3.43Å
419	A	74.4	Confident	78.7	Confident	61 Å²	61	103.6 Å²	103.6	50%	0.504	48%	0.48	S	S	.	.	H	α-helix	trans	-62.7	-44.1	177	0	0	0	0	0	111.7	E415 R416 R422 A423	E415-A419 PolarHBondContact O-N 3.07Å; R416-A419 PolarHBondContact O-N 3.06Å; A419-R422 PolarHBondContact O-N 2.8Å; A419-A423 WeakPolarHBondContact O-CB 3.49Å; A419-A423 PolarHBondContact O-N 2.97Å
420	E	78.5	Confident	79.2	Confident	117 Å²	117	100.2 Å²	100.2	55%	0.547	47%	0.467	S	S	.	.	H	α-helix	trans	-62.5	-45.4	176.8	-74.5	174.2	-178.8	0	0	112.4	R416 R422 A423 E424	R416-E420 IonicContact NE-OE1 3.25Å; R416-E420 WeakPolarHBondContact O-CG 3.35Å; R416-E420 PolarHBondContact O-N 3.05Å; E420-R422 VanDerWaalsContact C-N 3.31Å; E420-R422 PolarHBondContact O-N 3.19Å; E420-A423 PolarHBondContact O-N 2.8Å; E420-E424 PolarHBondContact O-N 3.19Å
421	R	78.3	Confident	79.7	Confident	168 Å²	168	95.9 Å²	95.9	63%	0.634	45%	0.448	S	S	*	.	H	α-helix	trans	-60	-41.7	175.1	-86.8	-177.5	-90.3	-172.1	-11.8	112.3	S417 R418 E424 Q425	S417-R421 PolarHBondContact O-N 3.28Å; S417-R421 VanDerWaalsContact O-N 3.16Å; S417-R421 PolarHBondContact O-NE 3.16Å; S417-R421 PolarHBondContact OG-NH2 3.02Å; R418-R421 PolarHBondContact O-N 3.42Å; R421-E424 PolarHBondContact O-N 3.02Å; R421-Q425 WeakPolarHBondContact O-CB 3.43Å; R421-Q425 PolarHBondContact O-N 3.02Å
422	R	76.2	Confident	79.8	Confident	142 Å²	142	93.2 Å²	93.2	54%	0.536	45%	0.447	S	S	.	.	H	α-helix	trans	-65.6	-42.5	177.3	-168.1	173.5	-174	164.5	2.3	111.4	R418 A419 E420 E424 Q425 L426 Y460	R418-R422 WeakPolarHBondContact O-CB 3.43Å; R418-R422 PolarHBondContact O-N 3.43Å; A419-R422 PolarHBondContact O-N 2.8Å; E420-R422 VanDerWaalsContact C-N 3.31Å; E420-R422 PolarHBondContact O-N 3.19Å; R422-E424 PolarHBondContact O-N 3.33Å; R422-Q425 PolarHBondContact O-N 2.96Å; R422-L426 HydrophobicContact CG-CD1 4.45Å; R422-L426 WeakPolarHBondContact O-CG 3.38Å; R422-L426 PolarHBondContact O-N 3Å; R422-Y460 PolarHBondContact NH2-OH 2.9Å
423	A	79.4	Confident	79.7	Confident	51 Å²	51	90.9 Å²	90.9	42%	0.421	44%	0.439	S	S	.	.	H	α-helix	trans	-62.2	-42.1	176.4	0	0	0	0	0	112	A419 E420 L426 R427	A419-A423 WeakPolarHBondContact O-CB 3.49Å; A419-A423 PolarHBondContact O-N 2.97Å; E420-A423 PolarHBondContact O-N 2.8Å; A423-L426 PolarHBondContact O-N 3.39Å; A423-R427 PolarHBondContact O-N 3.45Å
424	E	83.5	Confident	79.9	Confident	97 Å²	97	86.1 Å²	86.1	45%	0.453	41%	0.414	S	S	.	.	H	α-helix	trans	-67.1	-38	177.2	-171.3	58.2	-154.3	0	0	112.3	E420 R421 R422 L426 R427	E420-E424 PolarHBondContact O-N 3.19Å; R421-E424 PolarHBondContact O-N 3.02Å; R422-E424 PolarHBondContact O-N 3.33Å; E424-L426 VanDerWaalsContact C-N 3.31Å; E424-L426 PolarHBondContact O-N 2.98Å; E424-R427 WeakPolarHBondContact O-CB 3.1Å; E424-R427 PolarHBondContact O-N 2.7Å; E424-R427 IonicContact OE2-NH1 3.71Å; E424-R427 PolarHBondContact OE2-NH1 2.96Å; E424-R427 VanDerWaalsContact OE2-NH1 3.09Å
425	Q	82.2	Confident	79.6	Confident	38 Å²	38	87.9 Å²	87.9	18%	0.178	42%	0.42	C	S	.	.	H	α-helix	trans	-64	-36.3	174.3	-170.9	170.7	23.1	0	0	112.4	R421 R422 R427 K428 L462 E469 T471	R421-Q425 WeakPolarHBondContact O-CB 3.43Å; R421-Q425 PolarHBondContact O-N 3.02Å; R422-Q425 PolarHBondContact O-N 2.96Å; Q425-R427 VanDerWaalsContact C-N 3.27Å; Q425-R427 PolarHBondContact O-N 3.2Å; Q425-K428 PolarHBondContact O-N 3.28Å; Q425-L462 HydrophobicContact CG-CD2 4.02Å; Q425-E469 PolarHBondContact NE2-OE2 3.49Å; Q425-T471 PolarHBondContact O-OG1 3.09Å
426	L	83.7	Confident	79.1	Confident	35 Å²	35	86.8 Å²	86.8	18%	0.183	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-7.1	176.1	-67	177.5	0	0	0	113.9	R422 A423 E424 K428 A449 P452 Y460 W473	R422-L426 HydrophobicContact CG-CD1 4.45Å; R422-L426 WeakPolarHBondContact O-CG 3.38Å; R422-L426 PolarHBondContact O-N 3Å; A423-L426 PolarHBondContact O-N 3.39Å; E424-L426 VanDerWaalsContact C-N 3.31Å; E424-L426 PolarHBondContact O-N 2.98Å; L426-K428 VanDerWaalsContact C-N 3.32Å; L426-A449 HydrophobicContact CD1-CB 4.23Å; L426-P452 WeakPolarHBondContact O-CG 2.96Å; L426-Y460 HydrophobicContact CD1-CE1 4.36Å; L426-Y460 HydrophobicContact CD2-CD1 3.71Å; L426-Y460 HydrophobicContact CD2-CD2 3.71Å; L426-Y460 HydrophobicContact CD2-CE1 3.66Å; L426-Y460 HydrophobicContact CD2-CE2 3.67Å; L426-Y460 HydrophobicContact CD2-CG 3.74Å; L426-W473 HydrophobicContact CB-CZ2 4.38Å; L426-W473 HydrophobicContact CD2-CH2 4.08Å; L426-W473 HydrophobicContact CD2-CZ2 4.08Å; L426-W473 VanDerWaalsContact O-CZ2 3.26Å; L426-W473 WeakPolarHBondContact O-CZ2 3.14Å
427	R	81.8	Confident	79.1	Confident	179 Å²	179	80.3 Å²	80.3	68%	0.675	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-16.2	168.9	-75	174.9	171.5	168.6	-5.1	113	A423 E424 Q425	A423-R427 PolarHBondContact O-N 3.45Å; E424-R427 WeakPolarHBondContact O-CB 3.1Å; E424-R427 PolarHBondContact O-N 2.7Å; E424-R427 IonicContact OE2-NH1 3.71Å; E424-R427 PolarHBondContact OE2-NH1 2.96Å; E424-R427 VanDerWaalsContact OE2-NH1 3.09Å; Q425-R427 VanDerWaalsContact C-N 3.27Å; Q425-R427 PolarHBondContact O-N 3.2Å
428	K	83.1	Confident	79.7	Confident	98 Å²	98	81.1 Å²	81.1	43%	0.426	42%	0.416	S	S	.	.			trans	-82.3	133.7	178.2	-61.3	-179.4	-178.6	177.6	0	110.1	Q425 L426 T471 W473	Q425-K428 PolarHBondContact O-N 3.28Å; L426-K428 VanDerWaalsContact C-N 3.32Å; K428-T471 WeakPolarHBondContact O-CB 3.34Å; K428-T471 WeakPolarHBondContact O-CG2 3.37Å; K428-W473 PolarHBondContact O-NE1 3.22Å
429	N	85.6	Confident	80.5	Confident	59 Å²	59	73.6 Å²	73.6	32%	0.316	39%	0.388	S	S	.	.			trans	-124	99.5	169.5	-176.8	-16.2	0	0	0	108.1	N431 P452	N429-N431 VanDerWaalsContact C-N 3.33Å; N429-N431 VanDerWaalsContact OD1-CB 3.29Å; N429-N431 WeakPolarHBondContact OD1-CB 3.36Å; N429-N431 PolarHBondContact OD1-N 3.33Å; N429-N431 PolarHBondContact OD1-OD1 2.91Å; N429-P452 HydrophobicContact CB-CB 4.41Å
430	D	88.8	Confident	81.4	Confident	40 Å²	40	72.6 Å²	72.6	21%	0.214	38%	0.378	C	S	.	.			trans	-96.6	18.4	-174	-60.2	-53.2	0	0	0	112.3	A432 V433 Y470 T471 L472	D430-A432 PolarHBondContact O-N 2.95Å; D430-A432 VanDerWaalsContact O-N 3.11Å; D430-V433 HydrophobicContact CB-CG2 4.13Å; D430-V433 VanDerWaalsContact O-CB 3.28Å; D430-V433 WeakPolarHBondContact O-CB 3.38Å; D430-V433 WeakPolarHBondContact O-CG2 3.48Å; D430-V433 PolarHBondContact O-N 3.24Å; D430-Y470 HydrophobicContact CB-CD1 4.18Å; D430-Y470 WeakPolarHBondContact OD2-CA 3.49Å; D430-T471 PolarHBondContact N-O 3.17Å; D430-T471 PolarHBondContact OD2-N 3.46Å; D430-L472 HydrophobicContact CB-CD2 4.39Å; D430-L472 WeakPolarHBondContact O-CD2 3.48Å
431	N	84.3	Confident	82.1	Confident	34 Å²	34	67.2 Å²	67.2	18%	0.182	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-55.7	-31	-179.9	-78	7.4	0	0	0	113.1	N429 V433 M434 L472 W473	N429-N431 VanDerWaalsContact C-N 3.33Å; N429-N431 VanDerWaalsContact OD1-CB 3.29Å; N429-N431 WeakPolarHBondContact OD1-CB 3.36Å; N429-N431 PolarHBondContact OD1-N 3.33Å; N429-N431 PolarHBondContact OD1-OD1 2.91Å; N431-V433 PolarHBondContact O-N 2.72Å; N431-M434 VanDerWaalsContact O-CB 3.25Å; N431-M434 WeakPolarHBondContact O-CB 3.32Å; N431-M434 VanDerWaalsContact O-CG 3.27Å; N431-M434 WeakPolarHBondContact O-CG 3.44Å; N431-M434 PolarHBondContact O-N 3.45Å; N431-M434 VanDerWaalsContact O-N 3.09Å; N431-L472 VanDerWaalsContact OD1-CA 3.3Å; N431-L472 WeakPolarHBondContact OD1-CA 3.39Å; N431-W473 PolarHBondContact ND2-O 3.29Å; N431-W473 PolarHBondContact OD1-N 3.33Å; N431-W473 PolarHBondContact OD1-O 2.88Å
432	A	77.8	Confident	82.7	Confident	68 Å²	68	61.7 Å²	61.7	56%	0.562	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-62.8	-22.2	177.1	0	0	0	0	0	113.6	D430 M434 D435	D430-A432 PolarHBondContact O-N 2.95Å; D430-A432 VanDerWaalsContact O-N 3.11Å; A432-M434 PolarHBondContact O-N 2.73Å; A432-D435 WeakPolarHBondContact O-CB 3.32Å; A432-D435 PolarHBondContact O-N 2.93Å; A432-D435 VanDerWaalsContact O-N 3.09Å
433	V	81	Confident	83.5	Confident	41 Å²	41	55 Å²	55	25%	0.248	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-60.2	-28.2	175.1	176.6	0	0	0	0	111	D430 N431 D435 S436 L439 Y470	D430-V433 HydrophobicContact CB-CG2 4.13Å; D430-V433 VanDerWaalsContact O-CB 3.28Å; D430-V433 WeakPolarHBondContact O-CB 3.38Å; D430-V433 WeakPolarHBondContact O-CG2 3.48Å; D430-V433 PolarHBondContact O-N 3.24Å; N431-V433 PolarHBondContact O-N 2.72Å; V433-D435 PolarHBondContact O-N 2.83Å; V433-S436 PolarHBondContact O-N 3.19Å; V433-S436 PolarHBondContact O-OG 3.45Å; V433-L439 HydrophobicContact CG1-CD1 4.32Å; V433-L439 HydrophobicContact CG1-CD2 4.43Å; V433-Y470 HydrophobicContact CG1-CD1 4.35Å; V433-Y470 HydrophobicContact CG1-CE1 4.05Å; V433-Y470 HydrophobicContact CG2-CD1 3.99Å; V433-Y470 HydrophobicContact CG2-CE1 3.97Å
434	M	79.1	Confident	84.1	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.015	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-71	-15.6	-179.5	-51.6	-50	-71.9	0	0	113.3	N431 A432 S436 G437 L439 L472 L490 M491 R492 I498	N431-M434 VanDerWaalsContact O-CB 3.25Å; N431-M434 WeakPolarHBondContact O-CB 3.32Å; N431-M434 VanDerWaalsContact O-CG 3.27Å; N431-M434 WeakPolarHBondContact O-CG 3.44Å; N431-M434 PolarHBondContact O-N 3.45Å; N431-M434 VanDerWaalsContact O-N 3.09Å; A432-M434 PolarHBondContact O-N 2.73Å; M434-S436 PolarHBondContact O-N 3.32Å; M434-G437 PolarHBondContact O-N 3.3Å; M434-L439 HydrophobicContact CE-CB 4.07Å; M434-L439 HydrophobicContact SD-CB 3.72Å; M434-L439 HydrophobicContact SD-CD2 3.91Å; M434-L439 HydrophobicContact SD-CG 4.48Å; M434-L472 HydrophobicContact CE-CD1 4.33Å; M434-L472 HydrophobicContact CG-CD1 4.37Å; M434-L472 HydrophobicContact CG-CD2 4.12Å; M434-L472 HydrophobicContact SD-CD1 3.82Å; M434-L472 HydrophobicContact SD-CD2 4.12Å; M434-L490 HydrophobicContact CE-CB 3.46Å; M434-L490 VanDerWaalsContact CE-CB 3.46Å; M434-L490 WeakPolarHBondContact CE-O 3.4Å; M434-M491 VanDerWaalsContact CE-N 3.3Å; M434-R492 HydrophobicContact CB-CB 3.84Å; M434-I498 HydrophobicContact CE-CG2 4.01Å; M434-I498 HydrophobicContact CG-CD1 4.13Å; M434-I498 HydrophobicContact CG-CG1 4.3Å
435	D	70.8	Confident	84.5	Confident	105 Å²	105	51.1 Å²	51.1	56%	0.561	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-74.9	-19	176.3	-56.2	-28.5	0	0	0	111.5	A432 V433 G437 R492	A432-D435 WeakPolarHBondContact O-CB 3.32Å; A432-D435 PolarHBondContact O-N 2.93Å; A432-D435 VanDerWaalsContact O-N 3.09Å; V433-D435 PolarHBondContact O-N 2.83Å; D435-G437 VanDerWaalsContact C-N 3.34Å; D435-R492 WeakPolarHBondContact OD1-CD 3.36Å; D435-R492 IonicContact OD1-NH1 3.53Å; D435-R492 PolarHBondContact OD1-NH1 2.99Å
436	S	67.1	Low	85	Confident	108 Å²	108	51.6 Å²	51.6	76%	0.755	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-84.8	-3	178.2	72.1	0	0	0	0	114.5	V433 M434	V433-S436 PolarHBondContact O-N 3.19Å; V433-S436 PolarHBondContact O-OG 3.45Å; M434-S436 PolarHBondContact O-N 3.32Å
437	G	77.5	Confident	85.5	Confident	31 Å²	31	50.5 Å²	50.5	32%	0.32	29%	0.291	S	S	.	.	S	Bend	trans	120.9	-140.2	179.6	0	0	0	0	0	113.4	M434 D435	M434-G437 PolarHBondContact O-N 3.3Å; D435-G437 VanDerWaalsContact C-N 3.34Å
438	V	87.2	Confident	85.9	Confident	59 Å²	59	47.6 Å²	47.6	36%	0.358	29%	0.285	S	S	.	.			trans	-84.7	122	-174.5	-178.8	0	0	0	0	111.3	D489 L490 M491	V438-D489 HydrophobicContact CG1-CB 3.86Å; V438-L490 CarbonylContact C-O 3.6Å; V438-L490 VanDerWaalsContact CA-O 3.27Å; V438-L490 WeakPolarHBondContact CA-O 3.44Å; V438-M491 HydrophobicContact CG2-CB 4.07Å; V438-M491 HydrophobicContact CG2-CG 4.31Å; V438-M491 HydrophobicContact CG2-SD 3.52Å; V438-M491 VanDerWaalsContact CG2-SD 3.52Å
439	L	90.2	Very high	86.2	Confident	11 Å²	11	43.5 Å²	43.5	6%	0.058	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	100.6	168.6	-178.6	61.2	0	0	0	110.5	V433 M434 A441 L463 Y470 L472 L490	V433-L439 HydrophobicContact CG1-CD1 4.32Å; V433-L439 HydrophobicContact CG1-CD2 4.43Å; M434-L439 HydrophobicContact CE-CB 4.07Å; M434-L439 HydrophobicContact SD-CB 3.72Å; M434-L439 HydrophobicContact SD-CD2 3.91Å; M434-L439 HydrophobicContact SD-CG 4.48Å; L439-A441 HydrophobicContact CG-CB 4.39Å; L439-L463 HydrophobicContact CD2-CD1 3.77Å; L439-Y470 HydrophobicContact CD1-CD2 4.26Å; L439-Y470 HydrophobicContact CD1-CE2 4.03Å; L439-Y470 HydrophobicContact CD2-CD2 4.37Å; L439-Y470 HydrophobicContact CD2-CG 4.21Å; L439-L472 HydrophobicContact CD2-CD1 4.3Å; L439-L490 PolarHBondContact N-O 3.31Å; L439-L490 PolarHBondContact O-N 3.04Å
440	S	92.5	Very high	86.1	Confident	41 Å²	41	44.5 Å²	44.5	29%	0.287	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	115.5	167.9	-66	0	0	0	0	110.8	N465 R487 V488 D489	S440-N465 WeakPolarHBondContact O-CB 3.43Å; S440-N465 PolarHBondContact O-ND2 3.3Å; S440-R487 VanDerWaalsContact CB-NH2 3.35Å; S440-R487 PolarHBondContact OG-NH2 3.19Å; S440-R487 VanDerWaalsContact OG-NH2 3.13Å; S440-V488 WeakPolarHBondContact CA-O 3.41Å; S440-D489 WeakPolarHBondContact CA-OD1 3.23Å; S440-D489 WeakPolarHBondContact CB-OD1 3.17Å; S440-D489 PolarHBondContact OG-OD1 3.13Å
441	A	93.4	Very high	85.7	Confident	3 Å²	3	44.5 Å²	44.5	3%	0.025	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	168.1	179.8	0	0	0	0	0	112.4	L439 L463 N465 R487 V488	L439-A441 HydrophobicContact CG-CB 4.39Å; A441-L463 HydrophobicContact CB-CB 3.81Å; A441-L463 HydrophobicContact CB-CD2 4.22Å; A441-L463 HydrophobicContact CB-CG 4.43Å; A441-N465 HydrophobicContact CB-CB 4.09Å; A441-R487 CarbonylContact O-C 3.53Å; A441-R487 WeakPolarHBondContact O-CA 3.49Å; A441-V488 PolarHBondContact N-O 3.13Å; A441-V488 WeakPolarHBondContact O-CG2 3.27Å; A441-V488 PolarHBondContact O-N 3.34Å; A441-V488 VanDerWaalsContact O-O 3.12Å
442	V	92.5	Very high	85.2	Confident	53 Å²	53	44.7 Å²	44.7	32%	0.321	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	134.5	170.7	176.1	0	0	0	0	108.6	T444 L463 H464 E486 R487	V442-T444 PolarHBondContact O-N 3.5Å; V442-L463 CarbonylContact O-C 3.52Å; V442-L463 WeakPolarHBondContact O-CA 3.4Å; V442-H464 PolarHBondContact N-O 2.91Å; V442-H464 PolarHBondContact O-N 3.12Å; V442-E486 WeakPolarHBondContact CA-O 3.36Å; V442-R487 HydrophobicContact CG2-CB 4.42Å
443	V	91.8	Very high	84.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	121.8	173.3	-174.9	0	0	0	0	109.3	L461 L462 L463 R483 I484 F485 E486 V488	V443-L461 HydrophobicContact CG1-CD1 3.53Å; V443-L461 HydrophobicContact CG1-CG 4.06Å; V443-L461 HydrophobicContact CG2-CD1 4.46Å; V443-L461 HydrophobicContact CG2-CD2 4.27Å; V443-L462 CarbonylContact C-O 3.48Å; V443-L462 WeakPolarHBondContact CA-O 3.37Å; V443-L463 HydrophobicContact CB-CD2 4.4Å; V443-L463 HydrophobicContact CG2-CD2 3.87Å; V443-R483 WeakPolarHBondContact CB-O 3.46Å; V443-I484 HydrophobicContact CG1-CD1 3.6Å; V443-F485 VanDerWaalsContact O-CA 3.23Å; V443-F485 WeakPolarHBondContact O-CA 3.5Å; V443-F485 PolarHBondContact O-N 3.13Å; V443-E486 PolarHBondContact N-O 3.21Å; V443-V488 HydrophobicContact CG2-CG1 3.81Å; V443-V488 HydrophobicContact CG2-CG2 3.82Å
444	T	91.8	Very high	84.3	Confident	55 Å²	55	45.1 Å²	45.1	34%	0.337	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-14.7	179.6	53.5	0	0	0	0	112.9	V442 L462 H464	V442-T444 PolarHBondContact O-N 3.5Å; T444-L462 PolarHBondContact N-O 2.9Å; T444-L462 WeakPolarHBondContact OG1-CB 3.35Å; T444-L462 PolarHBondContact OG1-O 2.95Å; T444-H464 HydrophobicContact CG2-CB 3.61Å
445	G	91.6	Very high	83.9	Confident	13 Å²	13	47.2 Å²	47.2	13%	0.134	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	162.6	179.3	0	0	0	0	0	112.4	L462	G445-L462 PolarHBondContact N-O 2.61Å; G445-L462 PolarHBondContact O-N 3.19Å
446	Y	93.9	Very high	84.2	Confident	47 Å²	47	47.7 Å²	47.7	18%	0.184	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152	176.9	167.6	-92.8	0	0	0	108.2	C459 Y460 L461 R481	Y446-C459 HydrophobicContact CE2-CB 3.97Å; Y446-C459 PolarHBondContact OH-SG 3.26Å; Y446-Y460 WeakPolarHBondContact CA-O 3.5Å; Y446-Y460 WeakPolarHBondContact CD2-O 3.43Å; Y446-L461 HydrophobicContact CD2-CD1 4.23Å; Y446-R481 HydrophobicContact CD1-CB 3.54Å; Y446-R481 HydrophobicContact CD2-CB 4.1Å; Y446-R481 HydrophobicContact CE1-CB 3.56Å; Y446-R481 HydrophobicContact CE2-CB 4.08Å; Y446-R481 HydrophobicContact CG-CB 3.83Å
447	G	93	Very high	84.9	Confident	12 Å²	12	47.6 Å²	47.6	12%	0.124	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	-170.2	166.1	0	0	0	0	0	111.5	C459 Y460	G447-C459 CarbonylContact O-C 3.53Å; G447-C459 WeakPolarHBondContact O-CA 3.48Å; G447-Y460 VanDerWaalsContact C-CD1 3.46Å; G447-Y460 VanDerWaalsContact CA-CE1 3.5Å; G447-Y460 PolarHBondContact N-O 2.97Å; G447-Y460 VanDerWaalsContact O-CD1 3.25Å; G447-Y460 WeakPolarHBondContact O-CD1 3.48Å; G447-Y460 PolarHBondContact O-N 3.04Å
448	E	91.9	Very high	85.2	Confident	118 Å²	118	46.5 Å²	46.5	55%	0.551	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.4	173.6	-70.3	168.2	-154.3	0	0	108.6	M457 T458	E448-M457 HydrophobicContact CB-CE 3.96Å; E448-T458 WeakPolarHBondContact CA-O 3.25Å
449	A	88.4	Confident	85.3	Confident	12 Å²	12	44 Å²	44	10%	0.099	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	163.9	177.3	0	0	0	0	0	109.9	L426 M451 T458 Y460 W473	L426-A449 HydrophobicContact CD1-CB 4.23Å; A449-M451 PolarHBondContact O-N 3.32Å; A449-T458 PolarHBondContact N-O 3.1Å; A449-T458 VanDerWaalsContact N-O 3.13Å; A449-T458 PolarHBondContact O-N 3.43Å; A449-Y460 HydrophobicContact CB-CD1 3.97Å; A449-Y460 HydrophobicContact CB-CE1 3.94Å; A449-W473 HydrophobicContact CB-CH2 3.87Å; A449-W473 HydrophobicContact CB-CZ3 4.01Å
450	P	83	Confident	85.4	Confident	81 Å²	81	43.9 Å²	43.9	53%	0.526	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	119.2	169.1	-22.1	34.4	0	0	0	110	E456 M457	P450-E456 WeakPolarHBondContact CA-O 3.24Å; P450-M457 VanDerWaalsContact CD-SD 3.59Å; P450-M457 HydrophobicContact CG-SD 3.79Å
451	M	80.5	Confident	85.5	Confident	39 Å²	39	41.9 Å²	41.9	19%	0.192	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-68	137.6	-177.7	-176.2	176.2	104	0	0	111.3	A449 G453 N454 G455 E456 T458 W473	A449-M451 PolarHBondContact O-N 3.32Å; M451-G453 PolarHBondContact O-N 2.66Å; M451-N454 WeakPolarHBondContact CB-OD1 3.39Å; M451-G455 WeakPolarHBondContact O-CA 3.18Å; M451-G455 PolarHBondContact O-N 2.82Å; M451-E456 PolarHBondContact N-O 2.8Å; M451-T458 HydrophobicContact SD-CG2 4.4Å; M451-W473 HydrophobicContact CB-CD2 4.19Å; M451-W473 HydrophobicContact CB-CE3 3.68Å; M451-W473 HydrophobicContact CB-CZ3 4.07Å; M451-W473 HydrophobicContact CG-CB 3.93Å; M451-W473 HydrophobicContact CG-CD2 3.7Å; M451-W473 HydrophobicContact CG-CE3 3.72Å; M451-W473 HydrophobicContact CG-CG 3.8Å; M451-W473 HydrophobicContact CG-CZ3 4.47Å; M451-W473 HydrophobicContact SD-CB 3.51Å; M451-W473 VanDerWaalsContact SD-CB 3.51Å; M451-W473 HydrophobicContact SD-CD2 4.47Å; M451-W473 HydrophobicContact SD-CG 4.06Å
452	P	75.2	Confident	85.6	Confident	39 Å²	39	42.5 Å²	42.5	25%	0.253	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	121.7	173.1	-26	34.8	0	0	0	111.5	L426 N429 W473	L426-P452 WeakPolarHBondContact O-CG 2.96Å; N429-P452 HydrophobicContact CB-CB 4.41Å; P452-W473 VanDerWaalsContact CD-CE2 3.43Å; P452-W473 HydrophobicContact CG-CZ2 3.96Å
453	G	69.5	Low	85.6	Confident	58 Å²	58	40 Å²	40	60%	0.598	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	112.3	-53.6	177.3	0	0	0	0	0	114.1	M451	M451-G453 PolarHBondContact O-N 2.66Å
454	N	69.5	Low	85.6	Confident	59 Å²	59	44.2 Å²	44.2	32%	0.316	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-19	-179.2	71.6	-0.7	0	0	0	114	M451 E456 H684	M451-N454 WeakPolarHBondContact CB-OD1 3.39Å; N454-E456 PolarHBondContact O-N 2.89Å; N454-E456 PolarHBondContact OD1-N 2.89Å; N454-H684 HydrophobicContact CB-CB 4.23Å
455	G	70.5	Confident	85.6	Confident	48 Å²	48	42.9 Å²	42.9	50%	0.495	25%	0.252	S	S	.	.			trans	71	8	-178.2	0	0	0	0	0	114.8	M451	M451-G455 WeakPolarHBondContact O-CA 3.18Å; M451-G455 PolarHBondContact O-N 2.82Å
456	E	76.6	Confident	85.3	Confident	115 Å²	115	53.6 Å²	53.6	54%	0.537	29%	0.288	S	S	.	.			trans	-73.8	136	178.7	-168.4	179.2	177.6	0	0	110.1	P450 M451 N454 T458	P450-E456 WeakPolarHBondContact CA-O 3.24Å; M451-E456 PolarHBondContact N-O 2.8Å; N454-E456 PolarHBondContact O-N 2.89Å; N454-E456 PolarHBondContact OD1-N 2.89Å; E456-T458 PolarHBondContact O-N 3.1Å; E456-T458 PolarHBondContact O-OG1 3.23Å
457	M	82	Confident	84.9	Confident	106 Å²	106	57.1 Å²	57.1	52%	0.522	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	108.1	173.3	-76	-60.7	-59.7	0	0	109.2	E448 P450	E448-M457 HydrophobicContact CB-CE 3.96Å; P450-M457 VanDerWaalsContact CD-SD 3.59Å; P450-M457 HydrophobicContact CG-SD 3.79Å
458	T	83.4	Confident	84.6	Confident	8 Å²	8	57.9 Å²	57.9	5%	0.049	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.3	-172.1	-50.7	0	0	0	0	109.4	E448 A449 M451 E456 N475	E448-T458 WeakPolarHBondContact CA-O 3.25Å; A449-T458 PolarHBondContact N-O 3.1Å; A449-T458 VanDerWaalsContact N-O 3.13Å; A449-T458 PolarHBondContact O-N 3.43Å; M451-T458 HydrophobicContact SD-CG2 4.4Å; E456-T458 PolarHBondContact O-N 3.1Å; E456-T458 PolarHBondContact O-OG1 3.23Å; T458-N475 WeakPolarHBondContact CA-OD1 3.37Å
459	C	90.1	Very high	84.6	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.034	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	137.4	171.4	-60.7	0	0	0	0	110.6	Y446 G447 W473 G474 N475	Y446-C459 HydrophobicContact CE2-CB 3.97Å; Y446-C459 PolarHBondContact OH-SG 3.26Å; G447-C459 CarbonylContact O-C 3.53Å; G447-C459 WeakPolarHBondContact O-CA 3.48Å; C459-W473 WeakPolarHBondContact O-CA 3.45Å; C459-G474 WeakPolarHBondContact CB-O 3.45Å; C459-G474 PolarHBondContact O-N 2.95Å; C459-N475 PolarHBondContact N-OD1 2.82Å; C459-N475 VanDerWaalsContact N-OD1 3.13Å
460	Y	92.6	Very high	84.8	Confident	9 Å²	9	58.6 Å²	58.6	4%	0.035	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.4	168.9	69.6	-94.3	0	0	0	111.3	R422 L426 Y446 G447 A449 L462 L472 W473	R422-Y460 PolarHBondContact NH2-OH 2.9Å; L426-Y460 HydrophobicContact CD1-CE1 4.36Å; L426-Y460 HydrophobicContact CD2-CD1 3.71Å; L426-Y460 HydrophobicContact CD2-CD2 3.71Å; L426-Y460 HydrophobicContact CD2-CE1 3.66Å; L426-Y460 HydrophobicContact CD2-CE2 3.67Å; L426-Y460 HydrophobicContact CD2-CG 3.74Å; Y446-Y460 WeakPolarHBondContact CA-O 3.5Å; Y446-Y460 WeakPolarHBondContact CD2-O 3.43Å; G447-Y460 VanDerWaalsContact C-CD1 3.46Å; G447-Y460 VanDerWaalsContact CA-CE1 3.5Å; G447-Y460 PolarHBondContact N-O 2.97Å; G447-Y460 VanDerWaalsContact O-CD1 3.25Å; G447-Y460 WeakPolarHBondContact O-CD1 3.48Å; G447-Y460 PolarHBondContact O-N 3.04Å; A449-Y460 HydrophobicContact CB-CD1 3.97Å; A449-Y460 HydrophobicContact CB-CE1 3.94Å; Y460-L462 HydrophobicContact CD2-CD2 3.87Å; Y460-L462 HydrophobicContact CD2-CG 3.89Å; Y460-L462 HydrophobicContact CE2-CD1 4.08Å; Y460-L462 HydrophobicContact CE2-CD2 4.1Å; Y460-L462 HydrophobicContact CE2-CG 3.83Å; Y460-L472 CarbonylContact C-O 3.51Å; Y460-L472 WeakPolarHBondContact CA-O 3.39Å; Y460-W473 HydrophobicContact CD1-CH2 4.19Å; Y460-W473 HydrophobicContact CD1-CZ3 4.16Å; Y460-W473 HydrophobicContact CG-CH2 4.41Å; Y460-W473 HydrophobicContact CG-CZ3 4.44Å
461	L	94.7	Very high	85.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.2	175	-162.3	70.9	0	0	0	109.2	V443 Y446 L463 L472 L477 Y480 L490	V443-L461 HydrophobicContact CG1-CD1 3.53Å; V443-L461 HydrophobicContact CG1-CG 4.06Å; V443-L461 HydrophobicContact CG2-CD1 4.46Å; V443-L461 HydrophobicContact CG2-CD2 4.27Å; Y446-L461 HydrophobicContact CD2-CD1 4.23Å; L461-L463 HydrophobicContact CD2-CD2 3.92Å; L461-L463 HydrophobicContact CD2-CG 4.37Å; L461-L463 HydrophobicContact CG-CD2 4.2Å; L461-L463 HydrophobicContact CG-CG 4.41Å; L461-L472 PolarHBondContact N-O 3.24Å; L461-L472 PolarHBondContact O-N 3.22Å; L461-L477 HydrophobicContact CB-CB 4.39Å; L461-L477 HydrophobicContact CB-CD1 3.87Å; L461-L477 HydrophobicContact CD2-CD2 4.35Å; L461-Y480 HydrophobicContact CD2-CD2 4Å; L461-Y480 HydrophobicContact CD2-CG 3.97Å; L461-L490 HydrophobicContact CD2-CD1 3.96Å
462	L	94.4	Very high	85.9	Confident	15 Å²	15	53 Å²	53	8%	0.079	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.1	174.1	-55.1	179.9	0	0	0	108.7	Q425 V443 T444 G445 Y460 T471	Q425-L462 HydrophobicContact CG-CD2 4.02Å; V443-L462 CarbonylContact C-O 3.48Å; V443-L462 WeakPolarHBondContact CA-O 3.37Å; T444-L462 PolarHBondContact N-O 2.9Å; T444-L462 WeakPolarHBondContact OG1-CB 3.35Å; T444-L462 PolarHBondContact OG1-O 2.95Å; G445-L462 PolarHBondContact N-O 2.61Å; G445-L462 PolarHBondContact O-N 3.19Å; Y460-L462 HydrophobicContact CD2-CD2 3.87Å; Y460-L462 HydrophobicContact CD2-CG 3.89Å; Y460-L462 HydrophobicContact CE2-CD1 4.08Å; Y460-L462 HydrophobicContact CE2-CD2 4.1Å; Y460-L462 HydrophobicContact CE2-CG 3.83Å; L462-T471 HydrophobicContact CD2-CG2 3.88Å
463	L	93.5	Very high	86.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.2	-176	-64.3	169.8	0	0	0	109.6	L439 A441 V442 V443 L461 E469 Y470 L472 V488 L490	L439-L463 HydrophobicContact CD2-CD1 3.77Å; A441-L463 HydrophobicContact CB-CB 3.81Å; A441-L463 HydrophobicContact CB-CD2 4.22Å; A441-L463 HydrophobicContact CB-CG 4.43Å; V442-L463 CarbonylContact O-C 3.52Å; V442-L463 WeakPolarHBondContact O-CA 3.4Å; V443-L463 HydrophobicContact CB-CD2 4.4Å; V443-L463 HydrophobicContact CG2-CD2 3.87Å; L461-L463 HydrophobicContact CD2-CD2 3.92Å; L461-L463 HydrophobicContact CD2-CG 4.37Å; L461-L463 HydrophobicContact CG-CD2 4.2Å; L461-L463 HydrophobicContact CG-CG 4.41Å; L463-E469 CarbonylContact O-C 3.49Å; L463-E469 VanDerWaalsContact O-CA 3.29Å; L463-E469 WeakPolarHBondContact O-CA 3.29Å; L463-Y470 PolarHBondContact N-O 3.02Å; L463-Y470 PolarHBondContact O-N 2.71Å; L463-L472 HydrophobicContact CD1-CD1 3.41Å; L463-L472 VanDerWaalsContact CD1-CD1 3.41Å; L463-L472 HydrophobicContact CD1-CG 3.77Å; L463-V488 HydrophobicContact CD2-CG2 3.68Å; L463-L490 HydrophobicContact CD1-CD1 3.76Å; L463-L490 HydrophobicContact CD2-CD1 4.36Å
464	H	92.6	Very high	87.2	Confident	89 Å²	89	48.9 Å²	48.9	41%	0.412	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.1	174.5	177.5	-104.2	0	0	0	111.2	V442 T444	V442-H464 PolarHBondContact N-O 2.91Å; V442-H464 PolarHBondContact O-N 3.12Å; T444-H464 HydrophobicContact CG2-CB 3.61Å
465	N	90	Very high	87.9	Confident	28 Å²	28	50.1 Å²	50.1	15%	0.15	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	-174	168	73	22.4	0	0	0	110.6	S440 A441 N467 G468	S440-N465 WeakPolarHBondContact O-CB 3.43Å; S440-N465 PolarHBondContact O-ND2 3.3Å; A441-N465 HydrophobicContact CB-CB 4.09Å; N465-N467 PolarHBondContact O-N 3.37Å; N465-N467 VanDerWaalsContact O-N 3.08Å; N465-N467 WeakPolarHBondContact OD1-CA 3.38Å; N465-N467 VanDerWaalsContact OD1-CB 3.31Å; N465-N467 WeakPolarHBondContact OD1-CB 3.47Å; N465-N467 PolarHBondContact OD1-N 2.97Å; N465-G468 PolarHBondContact N-O 3.36Å; N465-G468 PolarHBondContact O-N 3.41Å; N465-G468 VanDerWaalsContact O-N 3.1Å; N465-G468 PolarHBondContact OD1-N 2.95Å
466	R	85.2	Confident	88.2	Confident	238 Å²	238	49.7 Å²	49.7	90%	0.898	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.7	-179.1	67.9	-177.9	-178.4	-168.3	-2	115.4
467	N	86.2	Confident	88.8	Confident	121 Å²	121	44.2 Å²	44.2	65%	0.647	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-16.7	-179.7	-62.8	-17.1	0	0	0	112.2	N465 Y470	N465-N467 PolarHBondContact O-N 3.37Å; N465-N467 VanDerWaalsContact O-N 3.08Å; N465-N467 WeakPolarHBondContact OD1-CA 3.38Å; N465-N467 VanDerWaalsContact OD1-CB 3.31Å; N465-N467 WeakPolarHBondContact OD1-CB 3.47Å; N465-N467 PolarHBondContact OD1-N 2.97Å; N467-Y470 VanDerWaalsContact CB-OH 3.31Å; N467-Y470 WeakPolarHBondContact CB-OH 3.19Å
468	G	87.9	Confident	89.1	Confident	27 Å²	27	43.4 Å²	43.4	28%	0.278	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	146.1	-166.2	177.8	0	0	0	0	0	113.9	N465	N465-G468 PolarHBondContact N-O 3.36Å; N465-G468 PolarHBondContact O-N 3.41Å; N465-G468 VanDerWaalsContact O-N 3.1Å; N465-G468 PolarHBondContact OD1-N 2.95Å
469	E	91.2	Very high	89.1	Confident	111 Å²	111	46.5 Å²	46.5	52%	0.519	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	142.2	173.9	-63.9	176.9	169.9	0	0	109.9	Q425 L463	Q425-E469 PolarHBondContact NE2-OE2 3.49Å; L463-E469 CarbonylContact O-C 3.49Å; L463-E469 VanDerWaalsContact O-CA 3.29Å; L463-E469 WeakPolarHBondContact O-CA 3.29Å
470	Y	92.2	Very high	89.1	Confident	35 Å²	35	46.3 Å²	46.3	14%	0.137	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.5	179.2	-55.1	-91.2	0	0	0	110.1	D430 V433 L439 L463 N467	D430-Y470 HydrophobicContact CB-CD1 4.18Å; D430-Y470 WeakPolarHBondContact OD2-CA 3.49Å; V433-Y470 HydrophobicContact CG1-CD1 4.35Å; V433-Y470 HydrophobicContact CG1-CE1 4.05Å; V433-Y470 HydrophobicContact CG2-CD1 3.99Å; V433-Y470 HydrophobicContact CG2-CE1 3.97Å; L439-Y470 HydrophobicContact CD1-CD2 4.26Å; L439-Y470 HydrophobicContact CD1-CE2 4.03Å; L439-Y470 HydrophobicContact CD2-CD2 4.37Å; L439-Y470 HydrophobicContact CD2-CG 4.21Å; L463-Y470 PolarHBondContact N-O 3.02Å; L463-Y470 PolarHBondContact O-N 2.71Å; N467-Y470 VanDerWaalsContact CB-OH 3.31Å; N467-Y470 WeakPolarHBondContact CB-OH 3.19Å
471	T	94	Very high	89	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	105.5	172.4	-54.1	0	0	0	0	108.6	Q425 K428 D430 L462 W473	Q425-T471 PolarHBondContact O-OG1 3.09Å; K428-T471 WeakPolarHBondContact O-CB 3.34Å; K428-T471 WeakPolarHBondContact O-CG2 3.37Å; D430-T471 PolarHBondContact N-O 3.17Å; D430-T471 PolarHBondContact OD2-N 3.46Å; L462-T471 HydrophobicContact CD2-CG2 3.88Å; T471-W473 HydrophobicContact CG2-CZ2 3.97Å; T471-W473 VanDerWaalsContact CG2-NE1 3.34Å
472	L	91.7	Very high	88.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	148.3	173.2	-58.5	-174.5	0	0	0	110.5	D430 N431 M434 L439 Y460 L461 L463 L477 L490 I498	D430-L472 HydrophobicContact CB-CD2 4.39Å; D430-L472 WeakPolarHBondContact O-CD2 3.48Å; N431-L472 VanDerWaalsContact OD1-CA 3.3Å; N431-L472 WeakPolarHBondContact OD1-CA 3.39Å; M434-L472 HydrophobicContact CE-CD1 4.33Å; M434-L472 HydrophobicContact CG-CD1 4.37Å; M434-L472 HydrophobicContact CG-CD2 4.12Å; M434-L472 HydrophobicContact SD-CD1 3.82Å; M434-L472 HydrophobicContact SD-CD2 4.12Å; L439-L472 HydrophobicContact CD2-CD1 4.3Å; Y460-L472 CarbonylContact C-O 3.51Å; Y460-L472 WeakPolarHBondContact CA-O 3.39Å; L461-L472 PolarHBondContact N-O 3.24Å; L461-L472 PolarHBondContact O-N 3.22Å; L463-L472 HydrophobicContact CD1-CD1 3.41Å; L463-L472 VanDerWaalsContact CD1-CD1 3.41Å; L463-L472 HydrophobicContact CD1-CG 3.77Å; L472-L477 HydrophobicContact CB-CD1 3.95Å; L472-L490 HydrophobicContact CD1-CD1 3.78Å; L472-I498 HydrophobicContact CB-CD1 4.33Å; L472-I498 HydrophobicContact CD1-CD1 4.33Å; L472-I498 HydrophobicContact CD1-CG2 4.18Å
473	W	89.2	Confident	88.3	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.6	-178.1	-63.3	84.4	0	0	0	110.7	L426 K428 N431 A449 M451 P452 C459 Y460 T471	L426-W473 HydrophobicContact CB-CZ2 4.38Å; L426-W473 HydrophobicContact CD2-CH2 4.08Å; L426-W473 HydrophobicContact CD2-CZ2 4.08Å; L426-W473 VanDerWaalsContact O-CZ2 3.26Å; L426-W473 WeakPolarHBondContact O-CZ2 3.14Å; K428-W473 PolarHBondContact O-NE1 3.22Å; N431-W473 PolarHBondContact ND2-O 3.29Å; N431-W473 PolarHBondContact OD1-N 3.33Å; N431-W473 PolarHBondContact OD1-O 2.88Å; A449-W473 HydrophobicContact CB-CH2 3.87Å; A449-W473 HydrophobicContact CB-CZ3 4.01Å; M451-W473 HydrophobicContact CB-CD2 4.19Å; M451-W473 HydrophobicContact CB-CE3 3.68Å; M451-W473 HydrophobicContact CB-CZ3 4.07Å; M451-W473 HydrophobicContact CG-CB 3.93Å; M451-W473 HydrophobicContact CG-CD2 3.7Å; M451-W473 HydrophobicContact CG-CE3 3.72Å; M451-W473 HydrophobicContact CG-CG 3.8Å; M451-W473 HydrophobicContact CG-CZ3 4.47Å; M451-W473 HydrophobicContact SD-CB 3.51Å; M451-W473 VanDerWaalsContact SD-CB 3.51Å; M451-W473 HydrophobicContact SD-CD2 4.47Å; M451-W473 HydrophobicContact SD-CG 4.06Å; P452-W473 VanDerWaalsContact CD-CE2 3.43Å; P452-W473 HydrophobicContact CG-CZ2 3.96Å; C459-W473 WeakPolarHBondContact O-CA 3.45Å; Y460-W473 HydrophobicContact CD1-CH2 4.19Å; Y460-W473 HydrophobicContact CD1-CZ3 4.16Å; Y460-W473 HydrophobicContact CG-CH2 4.41Å; Y460-W473 HydrophobicContact CG-CZ3 4.44Å; T471-W473 HydrophobicContact CG2-CZ2 3.97Å; T471-W473 VanDerWaalsContact CG2-NE1 3.34Å
474	G	83.8	Confident	88.1	Confident	9 Å²	9	62 Å²	62	9%	0.093	30%	0.295	C	S	.	.			trans	157.4	135.4	176.5	0	0	0	0	0	111.7	C459 E476 L477	C459-G474 WeakPolarHBondContact CB-O 3.45Å; C459-G474 PolarHBondContact O-N 2.95Å; G474-E476 VanDerWaalsContact CA-OE2 3.25Å; G474-E476 WeakPolarHBondContact CA-OE2 3.34Å; G474-E476 PolarHBondContact O-N 2.84Å; G474-L477 WeakPolarHBondContact O-CB 3.26Å; G474-L477 VanDerWaalsContact O-CG 3.23Å; G474-L477 WeakPolarHBondContact O-CG 3.27Å; G474-L477 PolarHBondContact O-N 3.47Å
475	N	83.6	Confident	87.8	Confident	86 Å²	86	65.5 Å²	65.5	46%	0.46	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-65.3	-21	-178	-72.1	-28	0	0	0	113	T458 C459 L477 E478	T458-N475 WeakPolarHBondContact CA-OD1 3.37Å; C459-N475 PolarHBondContact N-OD1 2.82Å; C459-N475 VanDerWaalsContact N-OD1 3.13Å; N475-L477 PolarHBondContact O-N 3.45Å; N475-E478 PolarHBondContact O-N 2.96Å
476	E	78.2	Confident	87.8	Confident	38 Å²	38	68.3 Å²	68.3	18%	0.178	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-65.6	-14.7	170.9	74.1	-87.3	-157.1	0	0	114.3	G474 E478 K479 Y497 I498	G474-E476 VanDerWaalsContact CA-OE2 3.25Å; G474-E476 WeakPolarHBondContact CA-OE2 3.34Å; G474-E476 PolarHBondContact O-N 2.84Å; E476-E478 PolarHBondContact O-N 3.09Å; E476-K479 WeakPolarHBondContact O-CE 3.3Å; E476-K479 WeakPolarHBondContact O-CG 3.28Å; E476-Y497 HydrophobicContact CB-CD1 3.58Å; E476-Y497 HydrophobicContact CB-CE1 3.28Å; E476-Y497 HydrophobicContact CG-CD1 3.63Å; E476-Y497 HydrophobicContact CG-CE1 3.84Å; E476-I498 WeakPolarHBondContact CG-O 3.48Å; E476-I498 PolarHBondContact OE1-N 3.05Å; E476-I498 VanDerWaalsContact OE1-N 3.13Å
477	L	88.4	Confident	88.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-76.9	-10.2	178.9	-57.5	174.6	0	0	0	112.6	L461 L472 G474 N475 K479 Y480 I498	L461-L477 HydrophobicContact CB-CB 4.39Å; L461-L477 HydrophobicContact CB-CD1 3.87Å; L461-L477 HydrophobicContact CD2-CD2 4.35Å; L472-L477 HydrophobicContact CB-CD1 3.95Å; G474-L477 WeakPolarHBondContact O-CB 3.26Å; G474-L477 VanDerWaalsContact O-CG 3.23Å; G474-L477 WeakPolarHBondContact O-CG 3.27Å; G474-L477 PolarHBondContact O-N 3.47Å; N475-L477 PolarHBondContact O-N 3.45Å; L477-K479 PolarHBondContact O-N 2.82Å; L477-K479 VanDerWaalsContact O-N 3.1Å; L477-Y480 HydrophobicContact CB-CD2 4.29Å; L477-Y480 HydrophobicContact CD2-CD2 3.99Å; L477-Y480 HydrophobicContact CD2-CE2 3.92Å; L477-Y480 WeakPolarHBondContact O-CB 3.08Å; L477-Y480 WeakPolarHBondContact O-CD2 3.26Å; L477-Y480 PolarHBondContact O-N 2.89Å; L477-I498 HydrophobicContact CD2-CB 4.13Å; L477-I498 HydrophobicContact CD2-CG2 3.85Å
478	E	87.5	Confident	88.4	Confident	90 Å²	90	58.6 Å²	58.6	42%	0.421	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-50.6	-38	178.4	-174.7	-174.5	175.2	0	0	112.3	N475 E476 Y480 R481	N475-E478 PolarHBondContact O-N 2.96Å; E476-E478 PolarHBondContact O-N 3.09Å; E478-Y480 PolarHBondContact O-N 3.21Å; E478-Y480 VanDerWaalsContact O-N 3.1Å; E478-R481 WeakPolarHBondContact O-CB 3.25Å; E478-R481 WeakPolarHBondContact O-CD 3.48Å; E478-R481 WeakPolarHBondContact O-CG 3.38Å; E478-R481 PolarHBondContact O-N 2.85Å; E478-R481 IonicContact OE1-NH1 2.76Å; E478-R481 PolarHBondContact OE1-NH1 2.96Å
479	K	85.1	Confident	88.7	Confident	72 Å²	72	59.5 Å²	59.5	31%	0.313	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-61.6	-19.4	178.7	66.5	-177.6	169.8	140.3	0	114.1	E476 L477 E503	E476-K479 WeakPolarHBondContact O-CE 3.3Å; E476-K479 WeakPolarHBondContact O-CG 3.28Å; L477-K479 PolarHBondContact O-N 2.82Å; L477-K479 VanDerWaalsContact O-N 3.1Å; K479-E503 IonicContact NZ-OE1 3Å; K479-E503 PolarHBondContact NZ-OE1 2.99Å; K479-E503 IonicContact NZ-OE2 3.57Å; K479-E503 PolarHBondContact NZ-OE2 3.44Å
480	Y	89.6	Confident	88.6	Confident	1 Å²	1	54.2 Å²	54.2	0%	0.004	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-87.9	-2.5	176.1	-57.7	-80	0	0	0	113.1	L461 L477 E478 T482 R483 V488 L490 D500	L461-Y480 HydrophobicContact CD2-CD2 4Å; L461-Y480 HydrophobicContact CD2-CG 3.97Å; L477-Y480 HydrophobicContact CB-CD2 4.29Å; L477-Y480 HydrophobicContact CD2-CD2 3.99Å; L477-Y480 HydrophobicContact CD2-CE2 3.92Å; L477-Y480 WeakPolarHBondContact O-CB 3.08Å; L477-Y480 WeakPolarHBondContact O-CD2 3.26Å; L477-Y480 PolarHBondContact O-N 2.89Å; E478-Y480 PolarHBondContact O-N 3.21Å; E478-Y480 VanDerWaalsContact O-N 3.1Å; Y480-T482 PolarHBondContact O-N 2.89Å; Y480-T482 VanDerWaalsContact O-N 3.07Å; Y480-R483 PolarHBondContact O-N 2.92Å; Y480-V488 HydrophobicContact CD1-CG1 3.9Å; Y480-V488 HydrophobicContact CE1-CG1 3.99Å; Y480-L490 HydrophobicContact CE1-CD2 3.67Å; Y480-L490 HydrophobicContact CE2-CD2 4.04Å; Y480-L490 WeakPolarHBondContact OH-CD2 3.46Å; Y480-D500 HydrophobicContact CE1-CB 4.48Å; Y480-D500 WeakPolarHBondContact OH-CB 3.25Å; Y480-D500 PolarHBondContact OH-N 2.86Å
481	R	89.2	Confident	88.2	Confident	134 Å²	134	54.5 Å²	54.5	51%	0.506	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.9	-179.9	76.1	-171.7	-171.1	-169.6	2.4	113.7	Y446 E478	Y446-R481 HydrophobicContact CD1-CB 3.54Å; Y446-R481 HydrophobicContact CD2-CB 4.1Å; Y446-R481 HydrophobicContact CE1-CB 3.56Å; Y446-R481 HydrophobicContact CE2-CB 4.08Å; Y446-R481 HydrophobicContact CG-CB 3.83Å; E478-R481 WeakPolarHBondContact O-CB 3.25Å; E478-R481 WeakPolarHBondContact O-CD 3.48Å; E478-R481 WeakPolarHBondContact O-CG 3.38Å; E478-R481 PolarHBondContact O-N 2.85Å; E478-R481 IonicContact OE1-NH1 2.76Å; E478-R481 PolarHBondContact OE1-NH1 2.96Å
482	T	87.7	Confident	87.4	Confident	109 Å²	109	58.5 Å²	58.5	67%	0.669	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-2.1	179.6	56.7	0	0	0	0	113.5	Y480	Y480-T482 PolarHBondContact O-N 2.89Å; Y480-T482 VanDerWaalsContact O-N 3.07Å
483	R	87.8	Confident	86.3	Confident	60 Å²	60	60.5 Å²	60.5	23%	0.226	28%	0.278	C	S	.	.			trans	-102.1	25.1	-175.7	-62.2	-172.9	66.1	-164.9	-3.2	112.3	V443 Y480 F485 E486 R487 D500	V443-R483 WeakPolarHBondContact CB-O 3.46Å; Y480-R483 PolarHBondContact O-N 2.92Å; R483-F485 PolarHBondContact O-N 3.31Å; R483-E486 HydrophobicContact CB-CB 4.18Å; R483-E486 HydrophobicContact CB-CG 4.26Å; R483-E486 WeakPolarHBondContact CB-OE2 3.2Å; R483-E486 WeakPolarHBondContact CG-OE2 3.38Å; R483-E486 IonicContact CZ-OE2 2.9Å; R483-E486 IonicContact NE-OE2 3.61Å; R483-E486 PolarHBondContact NE-OE2 2.94Å; R483-E486 IonicContact NH2-OE2 3.09Å; R483-E486 VanDerWaalsContact O-CB 3.28Å; R483-E486 WeakPolarHBondContact O-CB 3.46Å; R483-E486 PolarHBondContact O-N 2.75Å; R483-R487 PolarHBondContact NH2-O 3.45Å; R483-D500 IonicContact CZ-OD2 3.93Å; R483-D500 IonicContact NH1-OD2 3.63Å; R483-D500 PolarHBondContact NH1-OD2 3.41Å; R483-D500 IonicContact NH2-OD2 3.52Å
484	I	89.6	Confident	84.8	Confident	51 Å²	51	72.2 Å²	72.2	26%	0.262	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	134.1	177.7	-48.5	-56.1	0	0	0	109.1	V443 E486	V443-I484 HydrophobicContact CG1-CD1 3.6Å; I484-E486 PolarHBondContact O-N 2.67Å
485	F	85.9	Confident	83.3	Confident	162 Å²	162	72.7 Å²	72.7	71%	0.711	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	6.3	-172.1	-47.5	-61.4	0	0	0	115.7	V443 R483	V443-F485 VanDerWaalsContact O-CA 3.23Å; V443-F485 WeakPolarHBondContact O-CA 3.5Å; V443-F485 PolarHBondContact O-N 3.13Å; R483-F485 PolarHBondContact O-N 3.31Å
486	E	90.7	Very high	82.2	Confident	87 Å²	87	69.4 Å²	69.4	41%	0.407	31%	0.31	S	S	.	.			trans	-88.8	149.8	171	-59.5	-177.5	-168.4	0	0	111.6	V442 V443 R483 I484	V442-E486 WeakPolarHBondContact CA-O 3.36Å; V443-E486 PolarHBondContact N-O 3.21Å; R483-E486 HydrophobicContact CB-CB 4.18Å; R483-E486 HydrophobicContact CB-CG 4.26Å; R483-E486 WeakPolarHBondContact CB-OE2 3.2Å; R483-E486 WeakPolarHBondContact CG-OE2 3.38Å; R483-E486 IonicContact CZ-OE2 2.9Å; R483-E486 IonicContact NE-OE2 3.61Å; R483-E486 PolarHBondContact NE-OE2 2.94Å; R483-E486 IonicContact NH2-OE2 3.09Å; R483-E486 VanDerWaalsContact O-CB 3.28Å; R483-E486 WeakPolarHBondContact O-CB 3.46Å; R483-E486 PolarHBondContact O-N 2.75Å; I484-E486 PolarHBondContact O-N 2.67Å
487	R	92.7	Very high	81.8	Confident	154 Å²	154	70.6 Å²	70.6	58%	0.581	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	133.7	170.2	-175.8	-176.8	156.5	115.9	6.2	109.8	S440 A441 V442 R483 D489	S440-R487 VanDerWaalsContact CB-NH2 3.35Å; S440-R487 PolarHBondContact OG-NH2 3.19Å; S440-R487 VanDerWaalsContact OG-NH2 3.13Å; A441-R487 CarbonylContact O-C 3.53Å; A441-R487 WeakPolarHBondContact O-CA 3.49Å; V442-R487 HydrophobicContact CG2-CB 4.42Å; R483-R487 PolarHBondContact NH2-O 3.45Å; R487-D489 IonicContact CZ-OD1 2.8Å; R487-D489 IonicContact NE-OD1 3.14Å; R487-D489 IonicContact NH2-OD1 3.96Å; R487-D489 PolarHBondContact NH2-OD1 2.95Å; R487-D489 IonicContact NH2-OD2 3.04Å
488	V	91.7	Very high	81.4	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.9	174.8	-66.6	0	0	0	0	109.7	S440 A441 V443 L463 Y480 L490	S440-V488 WeakPolarHBondContact CA-O 3.41Å; A441-V488 PolarHBondContact N-O 3.13Å; A441-V488 WeakPolarHBondContact O-CG2 3.27Å; A441-V488 PolarHBondContact O-N 3.34Å; A441-V488 VanDerWaalsContact O-O 3.12Å; V443-V488 HydrophobicContact CG2-CG1 3.81Å; V443-V488 HydrophobicContact CG2-CG2 3.82Å; L463-V488 HydrophobicContact CD2-CG2 3.68Å; Y480-V488 HydrophobicContact CD1-CG1 3.9Å; Y480-V488 HydrophobicContact CE1-CG1 3.99Å; V488-L490 HydrophobicContact CB-CD2 3.96Å; V488-L490 HydrophobicContact CB-CG 4.02Å; V488-L490 HydrophobicContact CG2-CD1 3.99Å; V488-L490 HydrophobicContact CG2-CD2 4.18Å; V488-L490 HydrophobicContact CG2-CG 3.76Å
489	D	92.3	Very high	81	Confident	45 Å²	45	66.6 Å²	66.6	24%	0.241	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	83.6	172.7	-71.8	-27.9	0	0	0	107.5	V438 S440 R487 R501	V438-D489 HydrophobicContact CG1-CB 3.86Å; S440-D489 WeakPolarHBondContact CA-OD1 3.23Å; S440-D489 WeakPolarHBondContact CB-OD1 3.17Å; S440-D489 PolarHBondContact OG-OD1 3.13Å; R487-D489 IonicContact CZ-OD1 2.8Å; R487-D489 IonicContact NE-OD1 3.14Å; R487-D489 IonicContact NH2-OD1 3.96Å; R487-D489 PolarHBondContact NH2-OD1 2.95Å; R487-D489 IonicContact NH2-OD2 3.04Å; D489-R501 HydrophobicContact CB-CB 4.25Å; D489-R501 WeakPolarHBondContact O-CB 3.47Å; D489-R501 PolarHBondContact O-N 2.97Å
490	L	91	Very high	80.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	151.4	-173.6	-57.1	-179.6	0	0	0	111.1	M434 V438 L439 L461 L463 L472 Y480 V488 I498 C499	M434-L490 HydrophobicContact CE-CB 3.46Å; M434-L490 VanDerWaalsContact CE-CB 3.46Å; M434-L490 WeakPolarHBondContact CE-O 3.4Å; V438-L490 CarbonylContact C-O 3.6Å; V438-L490 VanDerWaalsContact CA-O 3.27Å; V438-L490 WeakPolarHBondContact CA-O 3.44Å; L439-L490 PolarHBondContact N-O 3.31Å; L439-L490 PolarHBondContact O-N 3.04Å; L461-L490 HydrophobicContact CD2-CD1 3.96Å; L463-L490 HydrophobicContact CD1-CD1 3.76Å; L463-L490 HydrophobicContact CD2-CD1 4.36Å; L472-L490 HydrophobicContact CD1-CD1 3.78Å; Y480-L490 HydrophobicContact CE1-CD2 3.67Å; Y480-L490 HydrophobicContact CE2-CD2 4.04Å; Y480-L490 WeakPolarHBondContact OH-CD2 3.46Å; V488-L490 HydrophobicContact CB-CD2 3.96Å; V488-L490 HydrophobicContact CB-CG 4.02Å; V488-L490 HydrophobicContact CG2-CD1 3.99Å; V488-L490 HydrophobicContact CG2-CD2 4.18Å; V488-L490 HydrophobicContact CG2-CG 3.76Å; L490-I498 HydrophobicContact CB-CG2 4.22Å; L490-I498 HydrophobicContact CD1-CG2 4.27Å; L490-C499 CarbonylContact C-O 3.54Å; L490-C499 VanDerWaalsContact CA-O 3.24Å; L490-C499 WeakPolarHBondContact CA-O 3.5Å
491	M	83	Confident	80.5	Confident	41 Å²	41	71.1 Å²	71.1	20%	0.202	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	164	167.1	55	-174.4	-76.1	0	0	111.4	M434 V438 I498 C499 R501 I504	M434-M491 VanDerWaalsContact CE-N 3.3Å; V438-M491 HydrophobicContact CG2-CB 4.07Å; V438-M491 HydrophobicContact CG2-CG 4.31Å; V438-M491 HydrophobicContact CG2-SD 3.52Å; V438-M491 VanDerWaalsContact CG2-SD 3.52Å; M491-I498 WeakPolarHBondContact O-CA 3.49Å; M491-C499 PolarHBondContact N-O 3.13Å; M491-C499 PolarHBondContact O-N 2.96Å; M491-R501 HydrophobicContact SD-CB 4.36Å; M491-R501 HydrophobicContact SD-CG 4.11Å; M491-I504 HydrophobicContact CE-CD1 3.63Å; M491-I504 HydrophobicContact CG-CD1 4.09Å; M491-I504 HydrophobicContact SD-CD1 3.26Å; M491-I504 WeakPolarHBondContact SD-CD1 3.39Å; M491-I504 HydrophobicContact SD-CG1 4.48Å
492	R	77.7	Confident	79.9	Confident	86 Å²	86	68.7 Å²	68.7	33%	0.325	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	125.2	169.6	-149.3	170.9	-170.9	-167.2	-7.3	109.6	M434 D435 G496 Y497	M434-R492 HydrophobicContact CB-CB 3.84Å; D435-R492 WeakPolarHBondContact OD1-CD 3.36Å; D435-R492 IonicContact OD1-NH1 3.53Å; D435-R492 PolarHBondContact OD1-NH1 2.99Å; R492-G496 VanDerWaalsContact CG-C 3.44Å; R492-G496 WeakPolarHBondContact CG-O 3.35Å; R492-G496 VanDerWaalsContact NE-CA 3.31Å; R492-G496 PolarHBondContact NE-O 3.46Å; R492-Y497 WeakPolarHBondContact CA-O 3.42Å
493	D	67.2	Low	79	Confident	42 Å²	42	65.6 Å²	65.6	23%	0.225	29%	0.293	C	S	.	.			trans	-76.6	176.2	171.4	71.8	20.2	0	0	0	111.5	S495 G496 Y497	D493-S495 PolarHBondContact O-N 3.11Å; D493-S495 WeakPolarHBondContact OD1-CA 3.29Å; D493-S495 VanDerWaalsContact OD1-CB 3.22Å; D493-S495 WeakPolarHBondContact OD1-CB 3.32Å; D493-S495 PolarHBondContact OD1-N 3.04Å; D493-S495 PolarHBondContact OD1-OG 2.84Å; D493-S495 PolarHBondContact OD2-OG 3.09Å; D493-G496 PolarHBondContact O-N 2.86Å; D493-G496 PolarHBondContact OD1-N 3.24Å; D493-Y497 PolarHBondContact N-O 3.09Å; D493-Y497 PolarHBondContact OD1-N 2.55Å; D493-Y497 VanDerWaalsContact OD1-N 3.09Å
494	R	57.8	Low	77.6	Confident	248 Å²	248	67.1 Å²	67.1	94%	0.936	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.4	179.8	-68	-173.4	-177	-177.9	0.7	114.1	A621	R494-A621 VanDerWaalsContact O-CB 3.3Å; R494-A621 WeakPolarHBondContact O-CB 3.22Å
495	S	52.4	Low	75.9	Confident	18 Å²	18	68.5 Å²	68.5	13%	0.126	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-6.3	-179.8	83.9	0	0	0	0	113.8	D493 L510	D493-S495 PolarHBondContact O-N 3.11Å; D493-S495 WeakPolarHBondContact OD1-CA 3.29Å; D493-S495 VanDerWaalsContact OD1-CB 3.22Å; D493-S495 WeakPolarHBondContact OD1-CB 3.32Å; D493-S495 PolarHBondContact OD1-N 3.04Å; D493-S495 PolarHBondContact OD1-OG 2.84Å; D493-S495 PolarHBondContact OD2-OG 3.09Å; S495-L510 WeakPolarHBondContact OG-CD2 3.39Å
496	G	61.4	Low	74.1	Confident	17 Å²	17	68.3 Å²	68.3	18%	0.175	33%	0.333	C	S	.	.	S	Bend	trans	93.5	0.1	-176.1	0	0	0	0	0	114.3	R492 D493	R492-G496 VanDerWaalsContact CG-C 3.44Å; R492-G496 WeakPolarHBondContact CG-O 3.35Å; R492-G496 VanDerWaalsContact NE-CA 3.31Å; R492-G496 PolarHBondContact NE-O 3.46Å; D493-G496 PolarHBondContact O-N 2.86Å; D493-G496 PolarHBondContact OD1-N 3.24Å
497	Y	68.7	Low	72.3	Confident	64 Å²	64	68.8 Å²	68.8	25%	0.251	33%	0.331	S	S	.	.			trans	-80	137.7	-177.3	-110.7	-104.6	0	0	0	112.3	E476 R492 D493 L510 R563	E476-Y497 HydrophobicContact CB-CD1 3.58Å; E476-Y497 HydrophobicContact CB-CE1 3.28Å; E476-Y497 HydrophobicContact CG-CD1 3.63Å; E476-Y497 HydrophobicContact CG-CE1 3.84Å; R492-Y497 WeakPolarHBondContact CA-O 3.42Å; D493-Y497 PolarHBondContact N-O 3.09Å; D493-Y497 PolarHBondContact OD1-N 2.55Å; D493-Y497 VanDerWaalsContact OD1-N 3.09Å; Y497-L510 HydrophobicContact CD2-CD2 4.4Å; Y497-R563 PolarHBondContact OH-NH1 3.01Å
498	I	80.6	Confident	70.1	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.015	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	117.8	174.1	-58	175.9	0	0	0	109.6	M434 L472 E476 L477 L490 M491	M434-I498 HydrophobicContact CE-CG2 4.01Å; M434-I498 HydrophobicContact CG-CD1 4.13Å; M434-I498 HydrophobicContact CG-CG1 4.3Å; L472-I498 HydrophobicContact CB-CD1 4.33Å; L472-I498 HydrophobicContact CD1-CD1 4.33Å; L472-I498 HydrophobicContact CD1-CG2 4.18Å; E476-I498 WeakPolarHBondContact CG-O 3.48Å; E476-I498 PolarHBondContact OE1-N 3.05Å; E476-I498 VanDerWaalsContact OE1-N 3.13Å; L477-I498 HydrophobicContact CD2-CB 4.13Å; L477-I498 HydrophobicContact CD2-CG2 3.85Å; L490-I498 HydrophobicContact CB-CG2 4.22Å; L490-I498 HydrophobicContact CD1-CG2 4.27Å; M491-I498 WeakPolarHBondContact O-CA 3.49Å
499	C	78.9	Confident	68	Low	3 Å²	3	67.8 Å²	67.8	2%	0.02	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	166.1	-179.2	65.7	0	0	0	0	112.6	L490 M491	L490-C499 CarbonylContact C-O 3.54Å; L490-C499 VanDerWaalsContact CA-O 3.24Å; L490-C499 WeakPolarHBondContact CA-O 3.5Å; M491-C499 PolarHBondContact N-O 3.13Å; M491-C499 PolarHBondContact O-N 2.96Å
500	D	84.1	Confident	66.5	Low	15 Å²	15	68.2 Å²	68.2	8%	0.08	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	139.7	173.7	-157.3	-44.9	0	0	0	107.7	Y480 R483 S502 E503	Y480-D500 HydrophobicContact CE1-CB 4.48Å; Y480-D500 WeakPolarHBondContact OH-CB 3.25Å; Y480-D500 PolarHBondContact OH-N 2.86Å; R483-D500 IonicContact CZ-OD2 3.93Å; R483-D500 IonicContact NH1-OD2 3.63Å; R483-D500 PolarHBondContact NH1-OD2 3.41Å; R483-D500 IonicContact NH2-OD2 3.52Å; D500-S502 PolarHBondContact O-N 3.44Å; D500-E503 HydrophobicContact CB-CG 4.25Å; D500-E503 WeakPolarHBondContact O-CB 3.42Å; D500-E503 PolarHBondContact O-N 2.81Å
501	R	80.7	Confident	65.6	Low	152 Å²	152	69.6 Å²	69.6	57%	0.574	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-53.8	-31	-178.6	-175.7	-178.2	-179.8	-175.1	-0.4	112.2	D489 M491 E503 I504	D489-R501 HydrophobicContact CB-CB 4.25Å; D489-R501 WeakPolarHBondContact O-CB 3.47Å; D489-R501 PolarHBondContact O-N 2.97Å; M491-R501 HydrophobicContact SD-CB 4.36Å; M491-R501 HydrophobicContact SD-CG 4.11Å; R501-E503 PolarHBondContact O-N 2.9Å; R501-I504 HydrophobicContact CG-CD1 4.34Å; R501-I504 WeakPolarHBondContact O-CG1 3.3Å; R501-I504 PolarHBondContact O-N 3.22Å
502	S	76.2	Confident	65.3	Low	84 Å²	84	69.5 Å²	69.5	59%	0.587	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-67.4	-17.7	177.2	60.3	0	0	0	0	114.4	D500	D500-S502 PolarHBondContact O-N 3.44Å
503	E	68	Low	65.5	Low	43 Å²	43	66.1 Å²	66.1	20%	0.201	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-89.7	-1	-178.2	-62.3	175.9	-153.9	0	0	113.1	K479 D500 R501 G505 Q506 R507	K479-E503 IonicContact NZ-OE1 3Å; K479-E503 PolarHBondContact NZ-OE1 2.99Å; K479-E503 IonicContact NZ-OE2 3.57Å; K479-E503 PolarHBondContact NZ-OE2 3.44Å; D500-E503 HydrophobicContact CB-CG 4.25Å; D500-E503 WeakPolarHBondContact O-CB 3.42Å; D500-E503 PolarHBondContact O-N 2.81Å; R501-E503 PolarHBondContact O-N 2.9Å; E503-G505 PolarHBondContact O-N 2.9Å; E503-Q506 PolarHBondContact O-N 2.8Å; E503-Q506 VanDerWaalsContact O-N 3.13Å; E503-R507 IonicContact OE2-CZ 2.62Å; E503-R507 IonicContact OE2-NE 3.02Å; E503-R507 IonicContact OE2-NH2 3.22Å; E503-R507 PolarHBondContact OE2-NH2 3.01Å
504	I	60	Low	66.2	Low	92 Å²	92	64.2 Å²	64.2	47%	0.472	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	127.4	-178.5	-73.6	177.1	0	0	0	111.2	M491 R501 Q506	M491-I504 HydrophobicContact CE-CD1 3.63Å; M491-I504 HydrophobicContact CG-CD1 4.09Å; M491-I504 HydrophobicContact SD-CD1 3.26Å; M491-I504 WeakPolarHBondContact SD-CD1 3.39Å; M491-I504 HydrophobicContact SD-CG1 4.48Å; R501-I504 HydrophobicContact CG-CD1 4.34Å; R501-I504 WeakPolarHBondContact O-CG1 3.3Å; R501-I504 PolarHBondContact O-N 3.22Å; I504-Q506 VanDerWaalsContact C-N 3.25Å; I504-Q506 PolarHBondContact O-N 3.2Å
505	G	52.2	Low	67.3	Low	81 Å²	81	54.2 Å²	54.2	84%	0.835	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-2.9	179.6	0	0	0	0	0	114.7	E503	E503-G505 PolarHBondContact O-N 2.9Å
506	Q	48.6	Very low	68.8	Low	157 Å²	157	53.5 Å²	53.5	73%	0.734	29%	0.292	S	S	*	.			trans	-91.7	6	178.5	-62.7	-171.5	8	0	0	113.6	E503 I504	E503-Q506 PolarHBondContact O-N 2.8Å; E503-Q506 VanDerWaalsContact O-N 3.13Å; I504-Q506 VanDerWaalsContact C-N 3.25Å; I504-Q506 PolarHBondContact O-N 3.2Å
507	R	53	Low	69.7	Low	97 Å²	97	55 Å²	55	37%	0.366	30%	0.303	S	S	.	.	S	Bend	trans	-110	146.5	-173.7	-75.3	-175.2	-179.1	-163.1	-1.4	113.8	E503	E503-R507 IonicContact OE2-CZ 2.62Å; E503-R507 IonicContact OE2-NE 3.02Å; E503-R507 IonicContact OE2-NH2 3.22Å; E503-R507 PolarHBondContact OE2-NH2 3.01Å
508	P	46.3	Very low	70	Confident	77 Å²	77	52.8 Å²	52.8	50%	0.5	30%	0.297	S	S	.	.			trans	-72.2	152.8	-177.1	0.3	16.1	0	0	0	111.4	L510 A561	P508-L510 PolarHBondContact O-N 3.3Å; P508-A561 HydrophobicContact CB-CB 3.21Å; P508-A561 HydrophobicContact CG-CB 3.99Å
509	P	47.4	Very low	70.2	Confident	58 Å²	58	52.9 Å²	52.9	38%	0.377	30%	0.297	S	S	.	.			trans	-55.3	134.8	-176.7	20.4	-31.6	0	0	0	111.1	Q511 E551	P509-Q511 HydrophobicContact CB-CG 4.5Å; P509-Q511 PolarHBondContact O-N 3Å; P509-E551 WeakPolarHBondContact CA-OE1 3.43Å
510	L	60.7	Low	70.5	Confident	54 Å²	54	56.6 Å²	56.6	28%	0.283	31%	0.314	S	S	.	.			trans	-76.5	43.2	-174.7	-59.6	115.3	0	0	0	113.2	S495 Y497 P508 R512 E551	S495-L510 WeakPolarHBondContact OG-CD2 3.39Å; Y497-L510 HydrophobicContact CD2-CD2 4.4Å; P508-L510 PolarHBondContact O-N 3.3Å; L510-R512 PolarHBondContact O-N 3.19Å; L510-E551 HydrophobicContact CB-CG 4.14Å; L510-E551 HydrophobicContact CD1-CG 4.32Å; L510-E551 PolarHBondContact N-OE1 3.02Å
511	Q	72.6	Confident	70.6	Confident	30 Å²	30	61.4 Å²	61.4	14%	0.14	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-66.4	122.9	169.7	-77	-177.4	-17.9	0	0	109	P509 L549 M557 S559 A562 R563	P509-Q511 HydrophobicContact CB-CG 4.5Å; P509-Q511 PolarHBondContact O-N 3Å; Q511-L549 CarbonylContact C-O 3.52Å; Q511-L549 VanDerWaalsContact CA-O 3.22Å; Q511-L549 WeakPolarHBondContact CA-O 3.33Å; Q511-M557 PolarHBondContact NE2-O 2.76Å; Q511-M557 PolarHBondContact OE1-O 3.43Å; Q511-S559 PolarHBondContact OE1-OG 2.74Å; Q511-A562 HydrophobicContact CB-CB 3.56Å; Q511-A562 CarbonylContact O-C 3.55Å; Q511-A562 VanDerWaalsContact O-CA 3.24Å; Q511-A562 WeakPolarHBondContact O-CA 3.35Å; Q511-A562 WeakPolarHBondContact O-CB 3.41Å; Q511-R563 PolarHBondContact O-N 3.41Å
512	R	76.5	Confident	70.9	Confident	39 Å²	39	54.4 Å²	54.4	15%	0.147	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.8	174.1	-68.1	-177.3	-179	-165.3	-2.3	108.5	L510 Y514 C548 L549 R563 V565 D599	L510-R512 PolarHBondContact O-N 3.19Å; R512-Y514 HydrophobicContact CB-CD2 4.31Å; R512-Y514 HydrophobicContact CB-CE2 3.54Å; R512-Y514 WeakPolarHBondContact CD-OH 3.38Å; R512-C548 CarbonylContact O-C 3.57Å; R512-C548 VanDerWaalsContact O-CA 3.3Å; R512-C548 WeakPolarHBondContact O-CA 3.41Å; R512-L549 PolarHBondContact N-O 3.07Å; R512-L549 PolarHBondContact O-N 3.32Å; R512-R563 WeakPolarHBondContact CA-O 3.41Å; R512-V565 HydrophobicContact CB-CG2 4.07Å; R512-V565 HydrophobicContact CG-CG2 4.33Å; R512-D599 IonicContact CZ-OD2 2.65Å; R512-D599 IonicContact NH1-OD2 3.1Å; R512-D599 PolarHBondContact NH1-OD2 2.73Å; R512-D599 IonicContact NH2-OD2 3.55Å
513	V	81.5	Confident	71.5	Confident	15 Å²	15	50.5 Å²	50.5	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119.6	175.4	-178.8	0	0	0	0	108.2	C548 P558 A562 R563 K564 V565	V513-C548 HydrophobicContact CG2-CB 4.14Å; V513-P558 HydrophobicContact CG2-CB 3.81Å; V513-A562 HydrophobicContact CG2-CB 3.58Å; V513-R563 PolarHBondContact N-O 2.88Å; V513-K564 HydrophobicContact CB-CG 4.38Å; V513-V565 PolarHBondContact O-N 3.44Å
514	Y	81.9	Confident	72.5	Confident	1 Å²	1	51.4 Å²	51.4	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.6	178.4	-62.6	-92.1	0	0	0	108.9	R512 S546 F547 L549 V565 F567 F616	R512-Y514 HydrophobicContact CB-CD2 4.31Å; R512-Y514 HydrophobicContact CB-CE2 3.54Å; R512-Y514 WeakPolarHBondContact CD-OH 3.38Å; Y514-S546 CarbonylContact O-C 3.44Å; Y514-S546 WeakPolarHBondContact O-CA 3.49Å; Y514-S546 WeakPolarHBondContact O-CB 3.47Å; Y514-F547 VanDerWaalsContact CB-CE2 3.43Å; Y514-F547 HydrophobicContact CD2-CD2 4.25Å; Y514-F547 HydrophobicContact CD2-CE2 4.05Å; Y514-F547 HydrophobicContact CG-CD2 4.41Å; Y514-F547 AromaticContact CG-CE2 3.91Å; Y514-F547 HydrophobicContact CG-CE2 3.91Å; Y514-F547 PolarHBondContact N-O 3.24Å; Y514-F547 PolarHBondContact O-N 2.68Å; Y514-L549 HydrophobicContact CD2-CD1 4.47Å; Y514-L549 HydrophobicContact CD2-CG 4.34Å; Y514-L549 HydrophobicContact CE2-CB 4.35Å; Y514-L549 HydrophobicContact CE2-CD1 3.85Å; Y514-L549 HydrophobicContact CE2-CG 4.03Å; Y514-V565 HydrophobicContact CD1-CB 3.9Å; Y514-V565 HydrophobicContact CD1-CG1 4.08Å; Y514-V565 HydrophobicContact CD1-CG2 4.19Å; Y514-V565 HydrophobicContact CE1-CB 4Å; Y514-V565 HydrophobicContact CE1-CG1 3.98Å; Y514-V565 HydrophobicContact CE1-CG2 3.87Å; Y514-F567 HydrophobicContact CD1-CE1 4.47Å; Y514-F567 HydrophobicContact CD1-CE2 4.45Å; Y514-F567 AromaticContact CD1-CZ 3.77Å; Y514-F567 HydrophobicContact CD1-CZ 3.77Å; Y514-F567 HydrophobicContact CG-CZ 4.48Å; Y514-F616 HydrophobicContact CD1-CE1 4.28Å; Y514-F616 AromaticContact CD1-CZ 3.69Å; Y514-F616 HydrophobicContact CD1-CZ 3.69Å; Y514-F616 HydrophobicContact CD2-CE1 4.07Å; Y514-F616 HydrophobicContact CD2-CZ 4.3Å; Y514-F616 HydrophobicContact CE1-CE1 4.18Å; Y514-F616 AromaticContact CE1-CZ 3.67Å; Y514-F616 HydrophobicContact CE1-CZ 3.67Å; Y514-F616 AromaticContact CE2-CE1 3.99Å; Y514-F616 HydrophobicContact CE2-CE1 3.99Å; Y514-F616 HydrophobicContact CE2-CZ 4.3Å; Y514-F616 HydrophobicContact CG-CE1 4.22Å; Y514-F616 HydrophobicContact CG-CZ 4Å; Y514-F616 AromaticContact CZ-CZ 3.98Å
515	S	80.8	Confident	73.9	Confident	39 Å²	39	49.3 Å²	49.3	27%	0.273	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	130.8	167.3	178.3	0	0	0	0	111.1	A517 F567	S515-A517 VanDerWaalsContact C-N 3.29Å; S515-A517 PolarHBondContact O-N 3.27Å; S515-A517 PolarHBondContact OG-N 3.48Å; S515-F567 VanDerWaalsContact O-CE2 3.26Å; S515-F567 WeakPolarHBondContact O-CE2 3.38Å
516	S	83.8	Confident	75.8	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-70.7	-26.7	176.9	-65.7	0	0	0	0	113.3	T518 F519 E520 P544 E545 F547	S516-T518 PolarHBondContact O-N 3.04Å; S516-F519 PolarHBondContact O-N 3.25Å; S516-F519 VanDerWaalsContact O-N 3.11Å; S516-E520 WeakPolarHBondContact O-CB 3.42Å; S516-E520 PolarHBondContact O-N 2.92Å; S516-P544 WeakPolarHBondContact CB-O 3.31Å; S516-P544 PolarHBondContact OG-O 3.14Å; S516-E545 PolarHBondContact N-O 3.32Å; S516-F547 WeakPolarHBondContact OG-CD1 3.49Å
517	A	81.4	Confident	77.8	Confident	49 Å²	49	39.4 Å²	39.4	41%	0.405	21%	0.214	S	C	.	.	H	α-helix	trans	-58.6	-36.6	-177.9	0	0	0	0	0	111.9	S515 Q521	S515-A517 VanDerWaalsContact C-N 3.29Å; S515-A517 PolarHBondContact O-N 3.27Å; S515-A517 PolarHBondContact OG-N 3.48Å; A517-Q521 WeakPolarHBondContact O-CG 3.32Å; A517-Q521 PolarHBondContact O-N 2.89Å
518	T	74.7	Confident	79.6	Confident	18 Å²	18	41.6 Å²	41.6	11%	0.11	23%	0.228	C	C	.	.	H	α-helix	trans	-74.6	-38.3	177.9	-54.5	0	0	0	0	112.2	S516 E520 Q521 L522 F567 V598	S516-T518 PolarHBondContact O-N 3.04Å; T518-E520 VanDerWaalsContact C-N 3.29Å; T518-E520 PolarHBondContact O-N 3.34Å; T518-Q521 PolarHBondContact O-N 3.41Å; T518-L522 PolarHBondContact O-N 3.12Å; T518-F567 VanDerWaalsContact CB-CG 3.41Å; T518-F567 HydrophobicContact CG2-CB 3.69Å; T518-F567 HydrophobicContact CG2-CD1 3.45Å; T518-F567 VanDerWaalsContact CG2-CD1 3.45Å; T518-F567 HydrophobicContact CG2-CD2 3.98Å; T518-F567 HydrophobicContact CG2-CE1 3.83Å; T518-F567 HydrophobicContact CG2-CE2 4.32Å; T518-F567 HydrophobicContact CG2-CG 3.47Å; T518-F567 VanDerWaalsContact CG2-CG 3.47Å; T518-F567 HydrophobicContact CG2-CZ 4.23Å; T518-F567 WeakPolarHBondContact OG1-CB 3.37Å; T518-F567 WeakPolarHBondContact OG1-CD2 3.27Å; T518-F567 WeakPolarHBondContact OG1-CG 3.31Å; T518-V598 HydrophobicContact CG2-CG2 4.13Å
519	F	84.7	Confident	81.7	Confident	5 Å²	5	41.1 Å²	41.1	2%	0.022	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-36.6	175.2	-175.3	-128.5	0	0	0	111.3	S516 L522 L523 W543 F547 P614 A615 F616 L631	S516-F519 PolarHBondContact O-N 3.25Å; S516-F519 VanDerWaalsContact O-N 3.11Å; F519-L522 HydrophobicContact CE2-CD2 4.44Å; F519-L522 PolarHBondContact O-N 3Å; F519-L523 VanDerWaalsContact O-CB 3.26Å; F519-L523 WeakPolarHBondContact O-CB 3.41Å; F519-L523 PolarHBondContact O-N 3.2Å; F519-W543 HydrophobicContact CB-CZ3 4.47Å; F519-W543 HydrophobicContact CD1-CH2 4.06Å; F519-W543 AromaticContact CD1-CZ3 3.65Å; F519-W543 HydrophobicContact CD1-CZ3 3.65Å; F519-W543 HydrophobicContact CE1-CH2 4.33Å; F519-W543 HydrophobicContact CE1-CZ3 4.27Å; F519-W543 HydrophobicContact CG-CZ3 4.41Å; F519-F547 HydrophobicContact CB-CE1 4.13Å; F519-F547 HydrophobicContact CB-CZ 4.1Å; F519-F547 HydrophobicContact CD1-CE1 4.12Å; F519-F547 HydrophobicContact CD1-CZ 4.24Å; F519-F547 HydrophobicContact CG-CE1 4.41Å; F519-F547 HydrophobicContact CG-CZ 4.26Å; F519-P614 HydrophobicContact CE1-CB 3.74Å; F519-P614 HydrophobicContact CZ-CB 3.85Å; F519-A615 VanDerWaalsContact CE2-O 3.22Å; F519-A615 WeakPolarHBondContact CE2-O 3.44Å; F519-A615 WeakPolarHBondContact CZ-O 3.41Å; F519-F616 HydrophobicContact CD2-CD2 4Å; F519-F616 HydrophobicContact CE2-CB 4.45Å; F519-F616 HydrophobicContact CE2-CD2 4.15Å; F519-F616 HydrophobicContact CZ-CB 4.33Å; F519-L631 HydrophobicContact CD1-CD2 4.35Å; F519-L631 HydrophobicContact CE1-CB 4.47Å; F519-L631 HydrophobicContact CE1-CD2 4.28Å
520	E	86.2	Confident	83.7	Confident	80 Å²	80	41 Å²	41	37%	0.374	22%	0.216	S	C	.	.	H	α-helix	trans	-62.5	-42.5	172.3	-174.4	178.4	-165.4	0	0	112.2	S516 T518 L523 T524 W543	S516-E520 WeakPolarHBondContact O-CB 3.42Å; S516-E520 PolarHBondContact O-N 2.92Å; T518-E520 VanDerWaalsContact C-N 3.29Å; T518-E520 PolarHBondContact O-N 3.34Å; E520-L523 PolarHBondContact O-N 3.22Å; E520-T524 WeakPolarHBondContact O-CB 3.05Å; E520-T524 PolarHBondContact O-N 3.05Å; E520-T524 PolarHBondContact O-OG1 3.07Å; E520-W543 HydrophobicContact CB-CD2 4.29Å; E520-W543 HydrophobicContact CB-CE3 4.13Å; E520-W543 HydrophobicContact CB-CH2 3.9Å; E520-W543 HydrophobicContact CB-CZ2 4.11Å; E520-W543 HydrophobicContact CB-CZ3 3.9Å; E520-W543 HydrophobicContact CG-CD2 4.37Å; E520-W543 HydrophobicContact CG-CH2 4.31Å; E520-W543 HydrophobicContact CG-CZ2 4Å
521	Q	84.7	Confident	85	Confident	116 Å²	116	41.4 Å²	41.4	54%	0.542	22%	0.222	S	C	.	.	H	α-helix	trans	-62.6	-47.6	174.7	-74.9	175.2	1.2	0	0	112.4	A517 T518 L523 T524 Q525 L572	A517-Q521 WeakPolarHBondContact O-CG 3.32Å; A517-Q521 PolarHBondContact O-N 2.89Å; T518-Q521 PolarHBondContact O-N 3.41Å; Q521-L523 VanDerWaalsContact C-N 3.32Å; Q521-L523 PolarHBondContact O-N 3.13Å; Q521-T524 WeakPolarHBondContact O-CB 3.42Å; Q521-T524 PolarHBondContact O-N 2.86Å; Q521-Q525 PolarHBondContact O-N 3.15Å; Q521-L572 HydrophobicContact CB-CD1 4.04Å
522	L	87.1	Confident	85.8	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-58.1	-47.1	175.6	-179.8	154.2	0	0	0	110.5	T518 F519 T524 Q525 V526 L572 V595	T518-L522 PolarHBondContact O-N 3.12Å; F519-L522 HydrophobicContact CE2-CD2 4.44Å; F519-L522 PolarHBondContact O-N 3Å; L522-T524 VanDerWaalsContact C-N 3.31Å; L522-T524 PolarHBondContact O-N 2.62Å; L522-Q525 PolarHBondContact O-N 3.32Å; L522-V526 HydrophobicContact CD2-CG2 3.93Å; L522-V526 WeakPolarHBondContact O-CG2 3.4Å; L522-V526 PolarHBondContact O-N 3Å; L522-L572 HydrophobicContact CB-CD1 3.86Å; L522-L572 HydrophobicContact CB-CD2 4.45Å; L522-L572 HydrophobicContact CD1-CD2 4.2Å; L522-V595 HydrophobicContact CD1-CG2 4.08Å; L522-V595 HydrophobicContact CD2-CG2 3.7Å; L522-V595 HydrophobicContact CG-CG2 3.98Å
523	L	90	Very high	86.3	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-37.7	179.6	-171.9	70.5	0	0	0	112.3	F519 E520 Q521 V526 C527 L537 Q539 W543 G604 V605 P614	F519-L523 VanDerWaalsContact O-CB 3.26Å; F519-L523 WeakPolarHBondContact O-CB 3.41Å; F519-L523 PolarHBondContact O-N 3.2Å; E520-L523 PolarHBondContact O-N 3.22Å; Q521-L523 VanDerWaalsContact C-N 3.32Å; Q521-L523 PolarHBondContact O-N 3.13Å; L523-V526 PolarHBondContact O-N 3.32Å; L523-C527 PolarHBondContact O-N 3.41Å; L523-C527 PolarHBondContact O-SG 3.17Å; L523-L537 HydrophobicContact CD1-CD2 3.92Å; L523-L537 HydrophobicContact CD2-CD2 4.03Å; L523-L537 HydrophobicContact CG-CD2 4.05Å; L523-Q539 HydrophobicContact CD2-CG 4.34Å; L523-W543 HydrophobicContact CD2-CH2 3.68Å; L523-W543 HydrophobicContact CD2-CZ2 3.71Å; L523-G604 WeakPolarHBondContact CD1-O 3.13Å; L523-V605 HydrophobicContact CD1-CG1 3.78Å; L523-P614 HydrophobicContact CD1-CB 4.14Å; L523-P614 HydrophobicContact CD2-CB 3.8Å; L523-P614 HydrophobicContact CD2-CG 3.64Å
524	T	89.5	Confident	86.6	Confident	63 Å²	63	46.6 Å²	46.6	39%	0.387	25%	0.248	S	C	.	.	H	α-helix	trans	-59.7	-47.5	174.1	-61.8	0	0	0	0	110.5	E520 Q521 L522 V526 C527 Q528	E520-T524 WeakPolarHBondContact O-CB 3.05Å; E520-T524 PolarHBondContact O-N 3.05Å; E520-T524 PolarHBondContact O-OG1 3.07Å; Q521-T524 WeakPolarHBondContact O-CB 3.42Å; Q521-T524 PolarHBondContact O-N 2.86Å; L522-T524 VanDerWaalsContact C-N 3.31Å; L522-T524 PolarHBondContact O-N 2.62Å; T524-V526 PolarHBondContact O-N 3.04Å; T524-C527 PolarHBondContact O-N 3.34Å; T524-Q528 WeakPolarHBondContact O-CG 3.5Å; T524-Q528 PolarHBondContact O-N 3.46Å
525	Q	89.1	Confident	86.8	Confident	48 Å²	48	56.1 Å²	56.1	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-40.3	175.1	-69.9	-178.3	-6.3	0	0	112	Q521 L522 C527 Q528 T529 L576	Q521-Q525 PolarHBondContact O-N 3.15Å; L522-Q525 PolarHBondContact O-N 3.32Å; Q525-C527 VanDerWaalsContact C-N 3.3Å; Q525-C527 PolarHBondContact O-N 3.43Å; Q525-Q528 PolarHBondContact O-N 3.46Å; Q525-T529 WeakPolarHBondContact O-CB 3.32Å; Q525-T529 PolarHBondContact O-N 2.72Å; Q525-T529 PolarHBondContact O-OG1 2.87Å; Q525-L576 HydrophobicContact CB-CD1 3.68Å; Q525-L576 HydrophobicContact CB-CD2 4.31Å; Q525-L576 HydrophobicContact CB-CG 4.07Å
526	V	91.2	Very high	87.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.2	-43.8	175.7	169.1	0	0	0	0	110.4	L522 L523 T524 T529 W530 T534 L576 L593 V595	L522-V526 HydrophobicContact CD2-CG2 3.93Å; L522-V526 WeakPolarHBondContact O-CG2 3.4Å; L522-V526 PolarHBondContact O-N 3Å; L523-V526 PolarHBondContact O-N 3.32Å; T524-V526 PolarHBondContact O-N 3.04Å; V526-T529 PolarHBondContact O-N 2.64Å; V526-W530 HydrophobicContact CG1-CE3 4.18Å; V526-W530 PolarHBondContact O-N 3.39Å; V526-T534 HydrophobicContact CG1-CG2 4.34Å; V526-L576 HydrophobicContact CB-CD1 4.23Å; V526-L576 HydrophobicContact CG2-CD1 3.56Å; V526-L593 HydrophobicContact CG1-CD2 4.11Å; V526-V595 HydrophobicContact CG2-CG1 4.16Å; V526-V595 HydrophobicContact CG2-CG2 3.85Å
527	C	91.1	Very high	87.5	Confident	29 Å²	29	61.4 Å²	61.4	20%	0.196	31%	0.309	C	S	.	.	H	α-helix	trans	-67.7	-36.7	179.1	-66.1	0	0	0	0	112.7	L523 T524 Q525 P531 L537	L523-C527 PolarHBondContact O-N 3.41Å; L523-C527 PolarHBondContact O-SG 3.17Å; T524-C527 PolarHBondContact O-N 3.34Å; Q525-C527 VanDerWaalsContact C-N 3.3Å; Q525-C527 PolarHBondContact O-N 3.43Å; C527-P531 VanDerWaalsContact O-CA 3.24Å; C527-P531 WeakPolarHBondContact O-CA 3.22Å; C527-L537 WeakPolarHBondContact SG-CD2 3.29Å
528	Q	90.3	Very high	88.1	Confident	143 Å²	143	64.8 Å²	64.8	67%	0.668	31%	0.311	S	S	*	.	H	α-helix	trans	-70.2	-35.9	174.8	-71.2	170.7	-6.1	0	0	112.6	T524 Q525 P531	T524-Q528 WeakPolarHBondContact O-CG 3.5Å; T524-Q528 PolarHBondContact O-N 3.46Å; Q525-Q528 PolarHBondContact O-N 3.46Å; Q528-P531 WeakPolarHBondContact O-CD 3.43Å
529	T	90.2	Very high	88.7	Confident	68 Å²	68	68 Å²	68	42%	0.417	33%	0.325	S	S	.	.	H	α-helix	trans	-76.2	-37.5	-178.3	-51.2	0	0	0	0	111.8	Q525 V526 P531	Q525-T529 WeakPolarHBondContact O-CB 3.32Å; Q525-T529 PolarHBondContact O-N 2.72Å; Q525-T529 PolarHBondContact O-OG1 2.87Å; V526-T529 PolarHBondContact O-N 2.64Å; T529-P531 VanDerWaalsContact C-CD 3.44Å; T529-P531 WeakPolarHBondContact O-CD 3.24Å
530	W	90.1	Very high	88.7	Confident	54 Å²	54	68.2 Å²	68.2	21%	0.205	33%	0.327	C	S	.	.	S	Bend	trans	-126.6	58.1	-178.7	-63.1	-77.9	0	0	0	113.6	V526 Q532 H533 T534 L576 P578 L593 V595	V526-W530 HydrophobicContact CG1-CE3 4.18Å; V526-W530 PolarHBondContact O-N 3.39Å; W530-Q532 VanDerWaalsContact C-N 3.3Å; W530-Q532 PolarHBondContact O-N 3.2Å; W530-H533 HydrophobicContact CB-CB 4.49Å; W530-H533 PolarHBondContact O-N 3.01Å; W530-T534 PolarHBondContact O-N 3.21Å; W530-T534 PolarHBondContact O-OG1 3.34Å; W530-T534 VanDerWaalsContact O-OG1 3.05Å; W530-L576 HydrophobicContact CH2-CB 4.23Å; W530-L576 HydrophobicContact CZ3-CB 4.33Å; W530-L576 HydrophobicContact CZ3-CD1 3.99Å; W530-P578 HydrophobicContact CH2-CB 4Å; W530-P578 HydrophobicContact CH2-CG 4.43Å; W530-P578 HydrophobicContact CZ2-CB 4.01Å; W530-P578 HydrophobicContact CZ2-CG 4.19Å; W530-L593 HydrophobicContact CD2-CD2 3.81Å; W530-L593 HydrophobicContact CE3-CD2 3.54Å; W530-L593 HydrophobicContact CG-CD2 4.31Å; W530-L593 HydrophobicContact CZ3-CD2 3.95Å; W530-V595 HydrophobicContact CH2-CG1 4.03Å; W530-V595 HydrophobicContact CZ3-CG1 3.91Å
531	P	88.7	Confident	88.6	Confident	63 Å²	63	73.7 Å²	73.7	41%	0.409	35%	0.349	S	S	.	.	H	α-helix	trans	-63.9	-32.5	-170.2	25.9	-34.6	0	0	0	113.1	C527 Q528 T529 H533 R535	C527-P531 VanDerWaalsContact O-CA 3.24Å; C527-P531 WeakPolarHBondContact O-CA 3.22Å; Q528-P531 WeakPolarHBondContact O-CD 3.43Å; T529-P531 VanDerWaalsContact C-CD 3.44Å; T529-P531 WeakPolarHBondContact O-CD 3.24Å; P531-H533 VanDerWaalsContact C-N 3.25Å; P531-H533 PolarHBondContact O-N 3.07Å; P531-R535 WeakPolarHBondContact O-CG 3.38Å; P531-R535 PolarHBondContact O-N 2.85Å
532	Q	87.6	Confident	88.5	Confident	109 Å²	109	73.8 Å²	73.8	51%	0.509	36%	0.358	S	S	.	.	H	α-helix	trans	-66.3	-25.8	177.1	63.7	-86.1	-1.2	0	0	113.6	W530	W530-Q532 VanDerWaalsContact C-N 3.3Å; W530-Q532 PolarHBondContact O-N 3.2Å
533	H	87.1	Confident	88.3	Confident	74 Å²	74	75.8 Å²	75.8	34%	0.343	37%	0.365	S	S	.	.	H	α-helix	trans	-96.3	-17	-176.6	-60.8	-62.5	0	0	0	113.1	W530 P531 L590	W530-H533 HydrophobicContact CB-CB 4.49Å; W530-H533 PolarHBondContact O-N 3.01Å; P531-H533 VanDerWaalsContact C-N 3.25Å; P531-H533 PolarHBondContact O-N 3.07Å; H533-L590 HydrophobicContact CB-CB 4.12Å; H533-L590 HydrophobicContact CB-CD2 3.88Å
534	T	89.2	Confident	88	Confident	10 Å²	10	77.7 Å²	77.7	6%	0.061	38%	0.378	C	S	.	.	H	α-helix	trans	-107.6	3.6	-174.6	55.8	0	0	0	0	114.1	V526 W530 N536 L537	V526-T534 HydrophobicContact CG1-CG2 4.34Å; W530-T534 PolarHBondContact O-N 3.21Å; W530-T534 PolarHBondContact O-OG1 3.34Å; W530-T534 VanDerWaalsContact O-OG1 3.05Å; T534-N536 PolarHBondContact O-N 2.98Å; T534-N536 VanDerWaalsContact O-N 3.08Å; T534-L537 WeakPolarHBondContact O-CB 3.4Å; T534-L537 PolarHBondContact O-N 2.64Å
535	R	85.1	Confident	87.8	Confident	202 Å²	202	83.3 Å²	83.3	76%	0.762	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-36.6	-176.1	-62.6	-168.5	178.8	166	-0.4	114.9	P531	P531-R535 WeakPolarHBondContact O-CG 3.38Å; P531-R535 PolarHBondContact O-N 2.85Å
536	N	87	Confident	87.6	Confident	129 Å²	129	83.5 Å²	83.5	69%	0.69	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	26.9	-176.8	-61.6	-23.9	0	0	0	112.3	T534 R538	T534-N536 PolarHBondContact O-N 2.98Å; T534-N536 VanDerWaalsContact O-N 3.08Å; N536-R538 PolarHBondContact O-N 3.2Å
537	L	93.1	Very high	87.4	Confident	23 Å²	23	84 Å²	84	12%	0.12	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-69	117.5	177.6	-178.8	65.2	0	0	0	110.3	L523 C527 T534 Q539 V605 L612 P614	L523-L537 HydrophobicContact CD1-CD2 3.92Å; L523-L537 HydrophobicContact CD2-CD2 4.03Å; L523-L537 HydrophobicContact CG-CD2 4.05Å; C527-L537 WeakPolarHBondContact SG-CD2 3.29Å; T534-L537 WeakPolarHBondContact O-CB 3.4Å; T534-L537 PolarHBondContact O-N 2.64Å; L537-Q539 HydrophobicContact CD2-CG 4.02Å; L537-Q539 HydrophobicContact CG-CG 4.03Å; L537-Q539 PolarHBondContact O-N 3.09Å; L537-V605 HydrophobicContact CD1-CB 4.32Å; L537-V605 HydrophobicContact CD1-CG1 3.57Å; L537-V605 HydrophobicContact CD2-CG1 4.18Å; L537-L612 HydrophobicContact CB-CD2 4.34Å; L537-L612 HydrophobicContact CD1-CB 4.48Å; L537-L612 HydrophobicContact CD1-CD2 4.15Å; L537-L612 HydrophobicContact CD1-CG 4Å; L537-P614 HydrophobicContact CD1-CG 4.3Å
538	R	93.3	Very high	87.2	Confident	119 Å²	119	83 Å²	83	45%	0.449	40%	0.401	S	S	.	.			trans	-87	98.8	174.7	-175.4	171.6	174	-176.7	4.5	109.8	N536 T611 L612 Y613 P614 D633	N536-R538 PolarHBondContact O-N 3.2Å; R538-T611 HydrophobicContact CB-CG2 3.77Å; R538-L612 PolarHBondContact N-O 3.25Å; R538-Y613 HydrophobicContact CB-CD1 4.21Å; R538-Y613 HydrophobicContact CB-CE1 3.99Å; R538-Y613 HydrophobicContact CG-CD1 4.5Å; R538-Y613 HydrophobicContact CG-CE1 3.94Å; R538-Y613 PolarHBondContact NH1-OH 3Å; R538-P614 WeakPolarHBondContact O-CD 3.39Å; R538-D633 IonicContact CZ-OD2 3.61Å; R538-D633 IonicContact NE-OD2 3.62Å; R538-D633 PolarHBondContact NE-OD2 3.18Å; R538-D633 IonicContact NH2-OD2 2.79Å; R538-D633 PolarHBondContact NH2-OD2 3.46Å
539	Q	88	Confident	87	Confident	87 Å²	87	76.3 Å²	76.3	41%	0.407	37%	0.37	S	S	.	.			trans	-83.8	152.1	173.6	-62.1	-169.9	49.3	0	0	111.2	L523 L537	L523-Q539 HydrophobicContact CD2-CG 4.34Å; L537-Q539 HydrophobicContact CD2-CG 4.02Å; L537-Q539 HydrophobicContact CG-CG 4.03Å; L537-Q539 PolarHBondContact O-N 3.09Å
540	P	85	Confident	86.5	Confident	9 Å²	9	73.3 Å²	73.3	6%	0.058	35%	0.353	C	S	.	.			trans	-63.8	140.9	174.3	28.8	-35.7	0	0	0	110.6	T542 W543 L631 D633	P540-T542 PolarHBondContact O-N 3.3Å; P540-W543 HydrophobicContact CG-CD2 3.99Å; P540-W543 HydrophobicContact CG-CG 4.1Å; P540-L631 HydrophobicContact CG-CD2 3.86Å; P540-L631 HydrophobicContact CG-CG 4.03Å; P540-D633 WeakPolarHBondContact CA-OD1 3.43Å
541	K	83.2	Confident	85.8	Confident	194 Å²	194	75.8 Å²	75.8	84%	0.843	37%	0.367	S	S	*	.	S	Bend	trans	-58.2	-32.2	174.3	-68.9	-176.3	179.2	-177.8	0	113.4	D633	K541-D633 PolarHBondContact N-OD1 2.87Å
542	T	82.4	Confident	85.2	Confident	119 Å²	119	77.2 Å²	77.2	73%	0.73	37%	0.371	S	S	*	.	S	Bend	trans	-137.3	119.4	177.8	-49.3	0	0	0	0	107.7	P540	P540-T542 PolarHBondContact O-N 3.3Å
543	W	84.2	Confident	85	Confident	46 Å²	46	72.8 Å²	72.8	17%	0.174	35%	0.349	C	S	.	.			trans	-71.9	131.9	175.1	-76.7	80.4	0	0	0	109.4	F519 E520 L523 P540 L631	F519-W543 HydrophobicContact CB-CZ3 4.47Å; F519-W543 HydrophobicContact CD1-CH2 4.06Å; F519-W543 AromaticContact CD1-CZ3 3.65Å; F519-W543 HydrophobicContact CD1-CZ3 3.65Å; F519-W543 HydrophobicContact CE1-CH2 4.33Å; F519-W543 HydrophobicContact CE1-CZ3 4.27Å; F519-W543 HydrophobicContact CG-CZ3 4.41Å; E520-W543 HydrophobicContact CB-CD2 4.29Å; E520-W543 HydrophobicContact CB-CE3 4.13Å; E520-W543 HydrophobicContact CB-CH2 3.9Å; E520-W543 HydrophobicContact CB-CZ2 4.11Å; E520-W543 HydrophobicContact CB-CZ3 3.9Å; E520-W543 HydrophobicContact CG-CD2 4.37Å; E520-W543 HydrophobicContact CG-CH2 4.31Å; E520-W543 HydrophobicContact CG-CZ2 4Å; L523-W543 HydrophobicContact CD2-CH2 3.68Å; L523-W543 HydrophobicContact CD2-CZ2 3.71Å; P540-W543 HydrophobicContact CG-CD2 3.99Å; P540-W543 HydrophobicContact CG-CG 4.1Å; W543-L631 HydrophobicContact CD2-CD2 4.22Å; W543-L631 HydrophobicContact CE3-CD2 3.53Å; W543-L631 HydrophobicContact CH2-CD2 3.95Å; W543-L631 HydrophobicContact CZ3-CD2 3.42Å; W543-L631 VanDerWaalsContact CZ3-CD2 3.42Å
544	P	83.8	Confident	85	Confident	43 Å²	43	72.5 Å²	72.5	28%	0.279	35%	0.348	S	S	.	.			trans	-64	151.4	170.8	27.7	-31	0	0	0	108.8	S516 S546 L631	S516-P544 WeakPolarHBondContact CB-O 3.31Å; S516-P544 PolarHBondContact OG-O 3.14Å; P544-S546 VanDerWaalsContact C-N 3.25Å; P544-S546 PolarHBondContact O-N 2.97Å; P544-L631 HydrophobicContact CG-CD1 4.26Å
545	E	83.6	Confident	84.9	Confident	180 Å²	180	74.1 Å²	74.1	84%	0.841	36%	0.359	S	S	*	.	S	Bend	trans	-62.6	-37.7	176.8	-68.5	-177.2	170.6	0	0	111.9	S516	S516-E545 PolarHBondContact N-O 3.32Å
546	S	85.9	Confident	84.9	Confident	53 Å²	53	66.2 Å²	66.2	37%	0.371	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	161.8	176.6	58.8	0	0	0	0	110.8	Y514 P544	Y514-S546 CarbonylContact O-C 3.44Å; Y514-S546 WeakPolarHBondContact O-CA 3.49Å; Y514-S546 WeakPolarHBondContact O-CB 3.47Å; P544-S546 VanDerWaalsContact C-N 3.25Å; P544-S546 PolarHBondContact O-N 2.97Å
547	F	86.8	Confident	84.6	Confident	11 Å²	11	67.8 Å²	67.8	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.9	169.4	49.3	-95.1	0	0	0	109.9	Y514 S516 F519 F616 L636	Y514-F547 VanDerWaalsContact CB-CE2 3.43Å; Y514-F547 HydrophobicContact CD2-CD2 4.25Å; Y514-F547 HydrophobicContact CD2-CE2 4.05Å; Y514-F547 HydrophobicContact CG-CD2 4.41Å; Y514-F547 AromaticContact CG-CE2 3.91Å; Y514-F547 HydrophobicContact CG-CE2 3.91Å; Y514-F547 PolarHBondContact N-O 3.24Å; Y514-F547 PolarHBondContact O-N 2.68Å; S516-F547 WeakPolarHBondContact OG-CD1 3.49Å; F519-F547 HydrophobicContact CB-CE1 4.13Å; F519-F547 HydrophobicContact CB-CZ 4.1Å; F519-F547 HydrophobicContact CD1-CE1 4.12Å; F519-F547 HydrophobicContact CD1-CZ 4.24Å; F519-F547 HydrophobicContact CG-CE1 4.41Å; F519-F547 HydrophobicContact CG-CZ 4.26Å; F547-F616 AromaticContact CE2-CD1 3.74Å; F547-F616 HydrophobicContact CE2-CD1 3.74Å; F547-F616 HydrophobicContact CE2-CD2 4.33Å; F547-F616 AromaticContact CE2-CE1 3.8Å; F547-F616 HydrophobicContact CE2-CE1 3.8Å; F547-F616 HydrophobicContact CE2-CE2 4.4Å; F547-F616 HydrophobicContact CE2-CG 4.01Å; F547-F616 HydrophobicContact CE2-CZ 4.14Å; F547-F616 HydrophobicContact CZ-CD1 4.43Å; F547-F616 HydrophobicContact CZ-CD2 4.25Å; F547-F616 HydrophobicContact CZ-CE2 4.41Å; F547-F616 HydrophobicContact CZ-CG 4.26Å; F547-L636 HydrophobicContact CB-CB 4.26Å; F547-L636 HydrophobicContact CB-CD2 3.97Å; F547-L636 HydrophobicContact CD2-CD2 3.6Å; F547-L636 HydrophobicContact CE2-CD2 4.31Å; F547-L636 HydrophobicContact CG-CD2 3.93Å
548	C	86.4	Confident	83.8	Confident	6 Å²	6	70 Å²	70	4%	0.041	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.7	-177.5	-178.1	0	0	0	0	110.2	R512 V513 P555 A556 P558	R512-C548 CarbonylContact O-C 3.57Å; R512-C548 VanDerWaalsContact O-CA 3.3Å; R512-C548 WeakPolarHBondContact O-CA 3.41Å; V513-C548 HydrophobicContact CG2-CB 4.14Å; C548-P555 WeakPolarHBondContact O-CA 3.5Å; C548-A556 WeakPolarHBondContact CB-O 3.46Å; C548-A556 PolarHBondContact O-N 3.26Å; C548-P558 HydrophobicContact CB-CB 3.91Å; C548-P558 HydrophobicContact CB-CG 4.36Å
549	L	86.4	Confident	82.7	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.016	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.7	169.4	-61.3	-174.2	0	0	0	109.5	Q511 R512 Y514 Q554 P555 F616 V618 L636	Q511-L549 CarbonylContact C-O 3.52Å; Q511-L549 VanDerWaalsContact CA-O 3.22Å; Q511-L549 WeakPolarHBondContact CA-O 3.33Å; R512-L549 PolarHBondContact N-O 3.07Å; R512-L549 PolarHBondContact O-N 3.32Å; Y514-L549 HydrophobicContact CD2-CD1 4.47Å; Y514-L549 HydrophobicContact CD2-CG 4.34Å; Y514-L549 HydrophobicContact CE2-CB 4.35Å; Y514-L549 HydrophobicContact CE2-CD1 3.85Å; Y514-L549 HydrophobicContact CE2-CG 4.03Å; L549-Q554 CarbonylContact C-O 3.59Å; L549-Q554 WeakPolarHBondContact CA-O 3.32Å; L549-P555 HydrophobicContact CD2-CG 4.39Å; L549-F616 HydrophobicContact CD1-CD1 3.99Å; L549-F616 HydrophobicContact CD1-CE1 3.73Å; L549-V618 HydrophobicContact CD1-CB 4.13Å; L549-V618 HydrophobicContact CD1-CG2 3.48Å; L549-V618 VanDerWaalsContact CD1-CG2 3.48Å; L549-L636 HydrophobicContact CD2-CD2 3.69Å
550	G	80	Confident	81.5	Confident	5 Å²	5	71.5 Å²	71.5	5%	0.052	38%	0.38	C	S	.	.			trans	-70.7	-175.8	172.9	0	0	0	0	0	113.3	D552 R553 Q554	G550-D552 VanDerWaalsContact C-N 3.29Å; G550-D552 PolarHBondContact O-N 3.18Å; G550-R553 WeakPolarHBondContact O-CA 3.36Å; G550-R553 PolarHBondContact O-N 2.7Å; G550-Q554 PolarHBondContact N-O 2.85Å
551	E	74.9	Confident	80.6	Confident	107 Å²	107	73.5 Å²	73.5	50%	0.5	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-36.7	176.9	-62.9	-170.6	163.9	0	0	112.1	P509 L510 R553	P509-E551 WeakPolarHBondContact CA-OE1 3.43Å; L510-E551 HydrophobicContact CB-CG 4.14Å; L510-E551 HydrophobicContact CD1-CG 4.32Å; L510-E551 PolarHBondContact N-OE1 3.02Å; E551-R553 PolarHBondContact O-N 3.27Å
552	D	76.9	Confident	80	Confident	92 Å²	92	65.1 Å²	65.1	49%	0.492	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	5.7	172.8	68.4	-14.1	0	0	0	113.3	G550 Q554	G550-D552 VanDerWaalsContact C-N 3.29Å; G550-D552 PolarHBondContact O-N 3.18Å; D552-Q554 HydrophobicContact CB-CG 4.41Å; D552-Q554 PolarHBondContact O-N 3.26Å; D552-Q554 VanDerWaalsContact O-N 3.16Å; D552-Q554 WeakPolarHBondContact OD1-CB 3.41Å; D552-Q554 PolarHBondContact OD1-N 2.92Å; D552-Q554 VanDerWaalsContact OD2-CG 3.3Å; D552-Q554 WeakPolarHBondContact OD2-CG 3.39Å; D552-Q554 PolarHBondContact OD2-NE2 3.17Å
553	R	84	Confident	79.4	Confident	16 Å²	16	66.3 Å²	66.3	6%	0.06	36%	0.355	C	S	.	.	S	Bend	trans	61.3	13.9	-175.9	-49.2	-56.4	-169.7	-150.4	-5.3	114.4	G550 E551 V618 P619 V627	G550-R553 WeakPolarHBondContact O-CA 3.36Å; G550-R553 PolarHBondContact O-N 2.7Å; E551-R553 PolarHBondContact O-N 3.27Å; R553-V618 HydrophobicContact CG-CG1 4.37Å; R553-P619 WeakPolarHBondContact CG-O 3.39Å; R553-P619 PolarHBondContact NE-O 2.91Å; R553-P619 VanDerWaalsContact NE-O 3.12Å; R553-V627 HydrophobicContact CB-CB 3.89Å; R553-V627 HydrophobicContact CB-CG1 4.15Å; R553-V627 HydrophobicContact CB-CG2 4.07Å
554	Q	86.6	Confident	78.7	Confident	69 Å²	69	71.7 Å²	71.7	32%	0.322	38%	0.38	S	S	.	.	S	Bend	trans	-88	156.4	174	-57.4	-167.6	33.1	0	0	111.1	L549 G550 D552 A556 Y638	L549-Q554 CarbonylContact C-O 3.59Å; L549-Q554 WeakPolarHBondContact CA-O 3.32Å; G550-Q554 PolarHBondContact N-O 2.85Å; D552-Q554 HydrophobicContact CB-CG 4.41Å; D552-Q554 PolarHBondContact O-N 3.26Å; D552-Q554 VanDerWaalsContact O-N 3.16Å; D552-Q554 WeakPolarHBondContact OD1-CB 3.41Å; D552-Q554 PolarHBondContact OD1-N 2.92Å; D552-Q554 VanDerWaalsContact OD2-CG 3.3Å; D552-Q554 WeakPolarHBondContact OD2-CG 3.39Å; D552-Q554 PolarHBondContact OD2-NE2 3.17Å; Q554-A556 PolarHBondContact O-N 3.36Å; Q554-Y638 HydrophobicContact CB-CD2 4.39Å; Q554-Y638 HydrophobicContact CG-CD2 3.65Å; Q554-Y638 HydrophobicContact CG-CE2 4.01Å
555	P	87.5	Confident	77.8	Confident	43 Å²	43	70.7 Å²	70.7	28%	0.279	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	126.2	176.8	-25.7	36.3	0	0	0	112.2	C548 L549 L636	C548-P555 WeakPolarHBondContact O-CA 3.5Å; L549-P555 HydrophobicContact CD2-CG 4.39Å; P555-L636 HydrophobicContact CB-CB 4.36Å; P555-L636 HydrophobicContact CB-CD2 4.3Å; P555-L636 HydrophobicContact CB-CG 4.38Å; P555-L636 WeakPolarHBondContact CB-O 3.25Å; P555-L636 HydrophobicContact CG-CB 4.28Å; P555-L636 HydrophobicContact CG-CD2 3.93Å; P555-L636 HydrophobicContact CG-CG 3.85Å
556	A	85	Confident	76.4	Confident	37 Å²	37	67.8 Å²	67.8	31%	0.306	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	169.1	-177.4	0	0	0	0	0	111.2	C548 Q554	C548-A556 WeakPolarHBondContact CB-O 3.46Å; C548-A556 PolarHBondContact O-N 3.26Å; Q554-A556 PolarHBondContact O-N 3.36Å
557	M	79.5	Confident	74.9	Confident	161 Å²	161	65.9 Å²	65.9	79%	0.793	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-84.2	133.5	169.2	-67.9	-59	-65	0	0	109.8	Q511 S559	Q511-M557 PolarHBondContact NE2-O 2.76Å; Q511-M557 PolarHBondContact OE1-O 3.43Å; M557-S559 PolarHBondContact O-N 3Å
558	P	76.2	Confident	72.7	Confident	70 Å²	70	71.2 Å²	71.2	46%	0.455	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-68.5	130.2	-178.9	27.7	-33.5	0	0	0	111.4	V513 C548	V513-P558 HydrophobicContact CG2-CB 3.81Å; C548-P558 HydrophobicContact CB-CB 3.91Å; C548-P558 HydrophobicContact CB-CG 4.36Å
559	S	71.4	Confident	70.8	Confident	45 Å²	45	80.2 Å²	80.2	32%	0.315	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-86.2	162.9	167.4	66.7	0	0	0	0	110.6	Q511 M557 A561 A562	Q511-S559 PolarHBondContact OE1-OG 2.74Å; M557-S559 PolarHBondContact O-N 3Å; S559-A561 PolarHBondContact O-N 3.46Å; S559-A562 VanDerWaalsContact O-CB 3.29Å; S559-A562 WeakPolarHBondContact O-CB 3.03Å; S559-A562 PolarHBondContact O-N 3.35Å
560	L	62.9	Low	69	Low	193 Å²	193	82 Å²	82	100%	1.01	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.6	174.7	-93.8	137.2	0	0	0	113.7
561	A	65.4	Low	67.9	Low	51 Å²	51	93.5 Å²	93.5	42%	0.421	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	5.7	-177.5	0	0	0	0	0	113.8	P508 S559 R563	P508-A561 HydrophobicContact CB-CB 3.21Å; P508-A561 HydrophobicContact CG-CB 3.99Å; S559-A561 PolarHBondContact O-N 3.46Å; A561-R563 PolarHBondContact O-N 3.38Å
562	A	69.7	Low	67.2	Low	17 Å²	17	89.7 Å²	89.7	14%	0.14	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-65.2	131	179.1	0	0	0	0	0	110.9	Q511 V513 S559 K564	Q511-A562 HydrophobicContact CB-CB 3.56Å; Q511-A562 CarbonylContact O-C 3.55Å; Q511-A562 VanDerWaalsContact O-CA 3.24Å; Q511-A562 WeakPolarHBondContact O-CA 3.35Å; Q511-A562 WeakPolarHBondContact O-CB 3.41Å; V513-A562 HydrophobicContact CG2-CB 3.58Å; S559-A562 VanDerWaalsContact O-CB 3.29Å; S559-A562 WeakPolarHBondContact O-CB 3.03Å; S559-A562 PolarHBondContact O-N 3.35Å; A562-K564 PolarHBondContact O-N 3.07Å
563	R	70.3	Confident	66.7	Low	145 Å²	145	88.9 Å²	88.9	55%	0.547	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	120.3	178.8	-179.5	176.5	172	-174.6	-5.5	109	Y497 Q511 R512 V513 A561 V565	Y497-R563 PolarHBondContact OH-NH1 3.01Å; Q511-R563 PolarHBondContact O-N 3.41Å; R512-R563 WeakPolarHBondContact CA-O 3.41Å; V513-R563 PolarHBondContact N-O 2.88Å; A561-R563 PolarHBondContact O-N 3.38Å; R563-V565 PolarHBondContact O-N 3.45Å
564	K	69.7	Low	65.9	Low	159 Å²	159	94.2 Å²	94.2	69%	0.691	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	125.6	168.6	-69.9	-176.1	178.7	-177.9	0	109.2	V513 A562 D566	V513-K564 HydrophobicContact CB-CG 4.38Å; A562-K564 PolarHBondContact O-N 3.07Å; K564-D566 PolarHBondContact O-N 2.86Å
565	V	65.5	Low	65.2	Low	22 Å²	22	96.3 Å²	96.3	13%	0.133	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	94.8	168.2	-177.4	0	0	0	0	105.6	R512 V513 Y514 R563	R512-V565 HydrophobicContact CB-CG2 4.07Å; R512-V565 HydrophobicContact CG-CG2 4.33Å; V513-V565 PolarHBondContact O-N 3.44Å; Y514-V565 HydrophobicContact CD1-CB 3.9Å; Y514-V565 HydrophobicContact CD1-CG1 4.08Å; Y514-V565 HydrophobicContact CD1-CG2 4.19Å; Y514-V565 HydrophobicContact CE1-CB 4Å; Y514-V565 HydrophobicContact CE1-CG1 3.98Å; Y514-V565 HydrophobicContact CE1-CG2 3.87Å; R563-V565 PolarHBondContact O-N 3.45Å
566	D	54.5	Low	64.8	Low	118 Å²	118	95 Å²	95	63%	0.631	51%	0.512	S	S	*	.			trans	-86.8	119.7	-176.2	-132.5	-17	0	0	0	109.8	K564	K564-D566 PolarHBondContact O-N 2.86Å
567	F	54.1	Low	64.6	Low	14 Å²	14	96.5 Å²	96.5	6%	0.061	51%	0.513	C	S	.	.	G	3₁₀ helix	trans	-88.9	-3.9	-170	-64.6	-79.9	0	0	0	114	Y514 S515 T518 Q569 G570 V598	Y514-F567 HydrophobicContact CD1-CE1 4.47Å; Y514-F567 HydrophobicContact CD1-CE2 4.45Å; Y514-F567 AromaticContact CD1-CZ 3.77Å; Y514-F567 HydrophobicContact CD1-CZ 3.77Å; Y514-F567 HydrophobicContact CG-CZ 4.48Å; S515-F567 VanDerWaalsContact O-CE2 3.26Å; S515-F567 WeakPolarHBondContact O-CE2 3.38Å; T518-F567 VanDerWaalsContact CB-CG 3.41Å; T518-F567 HydrophobicContact CG2-CB 3.69Å; T518-F567 HydrophobicContact CG2-CD1 3.45Å; T518-F567 VanDerWaalsContact CG2-CD1 3.45Å; T518-F567 HydrophobicContact CG2-CD2 3.98Å; T518-F567 HydrophobicContact CG2-CE1 3.83Å; T518-F567 HydrophobicContact CG2-CE2 4.32Å; T518-F567 HydrophobicContact CG2-CG 3.47Å; T518-F567 VanDerWaalsContact CG2-CG 3.47Å; T518-F567 HydrophobicContact CG2-CZ 4.23Å; T518-F567 WeakPolarHBondContact OG1-CB 3.37Å; T518-F567 WeakPolarHBondContact OG1-CD2 3.27Å; T518-F567 WeakPolarHBondContact OG1-CG 3.31Å; F567-Q569 PolarHBondContact O-N 3.18Å; F567-Q569 VanDerWaalsContact O-N 3.1Å; F567-G570 PolarHBondContact O-N 3.42Å; F567-V598 HydrophobicContact CD1-CB 3.44Å; F567-V598 VanDerWaalsContact CD1-CB 3.44Å; F567-V598 HydrophobicContact CD1-CG1 3.77Å; F567-V598 HydrophobicContact CD1-CG2 3.26Å; F567-V598 HydrophobicContact CE1-CB 3.44Å; F567-V598 VanDerWaalsContact CE1-CB 3.44Å; F567-V598 HydrophobicContact CE1-CG1 4.26Å; F567-V598 HydrophobicContact CE1-CG2 3.29Å
568	T	40.6	Very low	65.1	Low	123 Å²	123	90.4 Å²	90.4	76%	0.755	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-66.9	-13.3	-172.5	50.5	0	0	0	0	114
569	Q	46.1	Very low	65.8	Low	195 Å²	195	87.1 Å²	87.1	91%	0.911	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-87.2	-14.8	176.9	-65.2	-165.4	-4.3	0	0	114.2	F567	F567-Q569 PolarHBondContact O-N 3.18Å; F567-Q569 VanDerWaalsContact O-N 3.1Å
570	G	49.1	Very low	66.9	Low	40 Å²	40	85 Å²	85	41%	0.412	45%	0.449	S	S	.	.			trans	-118.4	102.7	179.7	0	0	0	0	0	111.5	F567 L572	F567-G570 PolarHBondContact O-N 3.42Å; G570-L572 PolarHBondContact O-N 3.11Å
571	R	55.3	Low	68.4	Low	246 Å²	246	77.2 Å²	77.2	93%	0.928	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-60.2	124.3	160.3	-83.5	-175.3	178	-171.6	-0.3	107.3
572	L	61.6	Low	69.8	Low	27 Å²	27	75.4 Å²	75.4	14%	0.141	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-51.5	131.7	168	-75.7	165.9	0	0	0	108.2	Q521 L522 G570	Q521-L572 HydrophobicContact CB-CD1 4.04Å; L522-L572 HydrophobicContact CB-CD1 3.86Å; L522-L572 HydrophobicContact CB-CD2 4.45Å; L522-L572 HydrophobicContact CD1-CD2 4.2Å; G570-L572 PolarHBondContact O-N 3.11Å
573	P	65.6	Low	70.7	Confident	76 Å²	76	77.6 Å²	77.6	49%	0.494	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-57.1	146.1	179	20.8	-29.7	0	0	0	110	T575	P573-T575 PolarHBondContact O-N 3.09Å
574	P	67.2	Low	71.5	Confident	128 Å²	128	72.8 Å²	72.8	83%	0.831	39%	0.392	S	S	*	.	S	Bend	trans	-63	-18.1	-176.4	26	-34.8	0	0	0	113
575	T	71.1	Confident	72.1	Confident	113 Å²	113	76.2 Å²	76.2	69%	0.693	40%	0.401	S	S	*	.	S	Bend	trans	-122.3	122.2	176.1	-50.4	0	0	0	0	108.4	P573	P573-T575 PolarHBondContact O-N 3.09Å
576	L	80.4	Confident	72.9	Confident	14 Å²	14	83.9 Å²	83.9	7%	0.073	44%	0.435	C	S	.	.			trans	-70.4	133.7	175.5	-68.4	177.7	0	0	0	110.1	Q525 V526 W530 P578 V595	Q525-L576 HydrophobicContact CB-CD1 3.68Å; Q525-L576 HydrophobicContact CB-CD2 4.31Å; Q525-L576 HydrophobicContact CB-CG 4.07Å; V526-L576 HydrophobicContact CB-CD1 4.23Å; V526-L576 HydrophobicContact CG2-CD1 3.56Å; W530-L576 HydrophobicContact CH2-CB 4.23Å; W530-L576 HydrophobicContact CZ3-CB 4.33Å; W530-L576 HydrophobicContact CZ3-CD1 3.99Å; L576-P578 WeakPolarHBondContact O-CD 3.35Å; L576-V595 HydrophobicContact CB-CG1 4.41Å; L576-V595 HydrophobicContact CD1-CG1 4.49Å; L576-V595 HydrophobicContact CD1-CG2 4.5Å; L576-V595 HydrophobicContact CD2-CG2 4.23Å
577	M	80.8	Confident	74.4	Confident	69 Å²	69	82 Å²	82	34%	0.34	43%	0.428	S	S	.	.			trans	-94.4	110.1	170.8	-164.1	165	111	0	0	108.8	V579 M596	M577-V579 PolarHBondContact O-N 3.21Å; M577-M596 PolarHBondContact O-N 2.87Å
578	P	88.9	Confident	75.9	Confident	34 Å²	34	90.6 Å²	90.6	22%	0.221	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127.9	176.7	32.5	-35.3	0	0	0	108.9	W530 L576 L593 N676 Q681	W530-P578 HydrophobicContact CH2-CB 4Å; W530-P578 HydrophobicContact CH2-CG 4.43Å; W530-P578 HydrophobicContact CZ2-CB 4.01Å; W530-P578 HydrophobicContact CZ2-CG 4.19Å; L576-P578 WeakPolarHBondContact O-CD 3.35Å; P578-L593 HydrophobicContact CB-CD1 4.37Å; P578-N676 HydrophobicContact CB-CB 4.36Å; P578-N676 HydrophobicContact CG-CB 4.27Å; P578-Q681 PolarHBondContact O-NE2 3.48Å
579	V	91.8	Very high	78.2	Confident	0 Å²	0	89.2 Å²	89.2	0%	0	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-51.8	179.9	169.5	0	0	0	0	109.6	M577 L594 M596 L602 V675 N676 L685 L689	M577-V579 PolarHBondContact O-N 3.21Å; V579-L594 PolarHBondContact N-O 3.16Å; V579-M596 HydrophobicContact CG2-CB 4.35Å; V579-M596 HydrophobicContact CG2-CG 3.51Å; V579-M596 HydrophobicContact CG2-SD 3.62Å; V579-L602 HydrophobicContact CB-CD2 4.35Å; V579-L602 HydrophobicContact CG1-CD1 4.05Å; V579-L602 HydrophobicContact CG1-CD2 4.39Å; V579-L602 HydrophobicContact CG2-CD2 3.88Å; V579-V675 CarbonylContact O-C 3.48Å; V579-V675 WeakPolarHBondContact O-CA 3.3Å; V579-N676 PolarHBondContact O-N 2.94Å; V579-L685 HydrophobicContact CG1-CD1 4.26Å; V579-L685 HydrophobicContact CG1-CD2 3.84Å; V579-L685 HydrophobicContact CG1-CG 4.49Å; V579-L685 HydrophobicContact CG2-CD2 4.01Å; V579-L689 HydrophobicContact CG1-CD1 4.22Å
580	M	94.6	Very high	80.4	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	154.2	178.5	65.6	-172.4	76.5	0	0	112.1	L594 L602 L626 M660 F662 A673 A674 N676 L689	M580-L594 HydrophobicContact CG-CB 3.98Å; M580-L594 HydrophobicContact CG-CD1 4.15Å; M580-L594 HydrophobicContact CG-CG 4.36Å; M580-L594 PolarHBondContact N-O 2.84Å; M580-L594 PolarHBondContact O-N 3.48Å; M580-L594 HydrophobicContact SD-CD1 3.98Å; M580-L602 HydrophobicContact CE-CD1 4Å; M580-L626 HydrophobicContact CE-CD2 4.1Å; M580-L626 HydrophobicContact SD-CD2 4.39Å; M580-M660 HydrophobicContact CE-SD 3.39Å; M580-M660 WeakPolarHBondContact CE-SD 3.24Å; M580-M660 HydrophobicContact SD-SD 3.79Å; M580-F662 HydrophobicContact SD-CE2 3.67Å; M580-F662 HydrophobicContact SD-CZ 3.59Å; M580-F662 VanDerWaalsContact SD-CZ 3.59Å; M580-A673 HydrophobicContact CB-CB 4.48Å; M580-A673 HydrophobicContact CG-CB 4.45Å; M580-A673 HydrophobicContact SD-CB 4.4Å; M580-A674 CarbonylContact C-O 3.44Å; M580-A674 WeakPolarHBondContact CA-O 3.31Å; M580-A674 VanDerWaalsContact CB-O 3.24Å; M580-A674 WeakPolarHBondContact CB-O 3.41Å; M580-N676 VanDerWaalsContact C-ND2 3.28Å; M580-N676 WeakPolarHBondContact CA-ND2 3.5Å; M580-N676 PolarHBondContact N-ND2 2.86Å; M580-L689 HydrophobicContact CE-CD1 3.68Å; M580-L689 HydrophobicContact CE-CD2 3.74Å; M580-L689 HydrophobicContact CE-CG 4.37Å
581	S	94.9	Very high	82.5	Confident	31 Å²	31	79 Å²	79	22%	0.217	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	155.2	177.3	69.5	0	0	0	0	112.6	L592 A673 A674 N676	S581-L592 CarbonylContact C-O 3.58Å; S581-L592 VanDerWaalsContact CA-O 3.28Å; S581-L592 WeakPolarHBondContact CA-O 3.21Å; S581-A673 CarbonylContact O-C 3.59Å; S581-A673 WeakPolarHBondContact O-CA 3.5Å; S581-A674 PolarHBondContact N-O 2.77Å; S581-A674 PolarHBondContact O-N 3.2Å; S581-N676 PolarHBondContact N-ND2 3.11Å; S581-N676 PolarHBondContact OG-OD1 3.43Å; S581-N676 VanDerWaalsContact OG-OD1 3.13Å
582	S	94.1	Very high	84.5	Confident	13 Å²	13	67.3 Å²	67.3	9%	0.091	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	125.5	172.7	-172.6	0	0	0	0	109.5	Q591 L592 L671 F672	S582-Q591 PolarHBondContact O-N 3.28Å; S582-L592 PolarHBondContact N-O 3.36Å; S582-L592 PolarHBondContact O-N 3.01Å; S582-L592 VanDerWaalsContact O-N 3.13Å; S582-L671 VanDerWaalsContact OG-CD1 3.26Å; S582-L671 WeakPolarHBondContact OG-CD1 3.1Å; S582-F672 WeakPolarHBondContact CB-O 3.22Å; S582-F672 PolarHBondContact OG-O 2.93Å
583	V	89.5	Confident	86.1	Confident	63 Å²	63	66.4 Å²	66.4	38%	0.382	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.1	177.1	-180	0	0	0	0	107.7	R585 L590	V583-R585 PolarHBondContact O-N 3.46Å; V583-L590 HydrophobicContact CG2-CD1 3.88Å
584	D	85.7	Confident	87.6	Confident	43 Å²	43	62.8 Å²	62.8	23%	0.23	32%	0.315	C	S	.	.			trans	-64.8	128.3	176.6	-177.1	-94.8	0	0	0	110.3	E586 T587 R588 Q589 Q591	D584-E586 PolarHBondContact O-N 3.14Å; D584-E586 PolarHBondContact OD1-N 2.98Å; D584-T587 WeakPolarHBondContact CB-OG1 3.43Å; D584-T587 VanDerWaalsContact CG-OG1 3.24Å; D584-T587 WeakPolarHBondContact OD1-CB 3.3Å; D584-T587 WeakPolarHBondContact OD1-CG2 3.45Å; D584-T587 PolarHBondContact OD1-N 3.09Å; D584-T587 PolarHBondContact OD1-OG1 3.34Å; D584-R588 WeakPolarHBondContact O-CA 3.4Å; D584-R588 PolarHBondContact O-N 2.86Å; D584-Q589 PolarHBondContact N-O 2.65Å; D584-Q591 HydrophobicContact CB-CG 3.96Å
585	R	81.9	Confident	88.8	Confident	231 Å²	231	56.7 Å²	56.7	87%	0.872	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-36.2	-171.3	-70.9	-174.2	178.7	-171	0.8	112.6	V583	V583-R585 PolarHBondContact O-N 3.46Å
586	E	83.3	Confident	89.5	Confident	183 Å²	183	53.6 Å²	53.6	86%	0.855	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-54.4	-174.9	-63	-175.2	173.7	0	0	111.2	D584 R588	D584-E586 PolarHBondContact O-N 3.14Å; D584-E586 PolarHBondContact OD1-N 2.98Å; E586-R588 VanDerWaalsContact C-N 3.3Å; E586-R588 PolarHBondContact O-N 3.05Å
587	T	86.2	Confident	89.4	Confident	78 Å²	78	53.8 Å²	53.8	48%	0.479	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.4	-176.1	65.5	0	0	0	0	113	D584 Q589	D584-T587 WeakPolarHBondContact CB-OG1 3.43Å; D584-T587 VanDerWaalsContact CG-OG1 3.24Å; D584-T587 WeakPolarHBondContact OD1-CB 3.3Å; D584-T587 WeakPolarHBondContact OD1-CG2 3.45Å; D584-T587 PolarHBondContact OD1-N 3.09Å; D584-T587 PolarHBondContact OD1-OG1 3.34Å; T587-Q589 PolarHBondContact O-N 3.01Å; T587-Q589 WeakPolarHBondContact OG1-CB 3.07Å; T587-Q589 PolarHBondContact OG1-N 2.87Å
588	R	84.3	Confident	88.8	Confident	196 Å²	196	52.3 Å²	52.3	74%	0.74	25%	0.253	S	S	*	.			trans	55.9	17.3	-171.6	-61.8	-65.9	-145.6	168.2	5	113.6	D584 E586	D584-R588 WeakPolarHBondContact O-CA 3.4Å; D584-R588 PolarHBondContact O-N 2.86Å; E586-R588 VanDerWaalsContact C-N 3.3Å; E586-R588 PolarHBondContact O-N 3.05Å
589	Q	89	Confident	87.9	Confident	93 Å²	93	54.5 Å²	54.5	44%	0.435	26%	0.263	S	S	.	.			trans	-83.3	134.4	-178.9	-68.3	-171.6	-6.1	0	0	111.3	D584 T587 Q591	D584-Q589 PolarHBondContact N-O 2.65Å; T587-Q589 PolarHBondContact O-N 3.01Å; T587-Q589 WeakPolarHBondContact OG1-CB 3.07Å; T587-Q589 PolarHBondContact OG1-N 2.87Å; Q589-Q591 PolarHBondContact O-N 3.31Å; Q589-Q591 PolarHBondContact O-NE2 3.48Å
590	L	92.9	Very high	87	Confident	9 Å²	9	57.8 Å²	57.8	5%	0.047	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	125.8	171.7	-174.1	70.6	0	0	0	110	H533 V583 L592 L593 V605 R607	H533-L590 HydrophobicContact CB-CB 4.12Å; H533-L590 HydrophobicContact CB-CD2 3.88Å; V583-L590 HydrophobicContact CG2-CD1 3.88Å; L590-L592 WeakPolarHBondContact CD1-O 3.37Å; L590-L593 HydrophobicContact CD1-CB 4.15Å; L590-L593 HydrophobicContact CD2-CB 3.91Å; L590-L593 HydrophobicContact CD2-CD2 4.44Å; L590-L593 HydrophobicContact CG-CB 4.46Å; L590-V605 HydrophobicContact CD2-CG2 3.7Å; L590-R607 PolarHBondContact O-NE 3.1Å; L590-R607 PolarHBondContact O-NH2 3.4Å
591	Q	94.3	Very high	86.5	Confident	12 Å²	12	57.9 Å²	57.9	6%	0.056	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-38.1	178	-57.8	-59.1	-48.4	0	0	111.6	S582 D584 Q589 V606 R607 L671	S582-Q591 PolarHBondContact O-N 3.28Å; D584-Q591 HydrophobicContact CB-CG 3.96Å; Q589-Q591 PolarHBondContact O-N 3.31Å; Q589-Q591 PolarHBondContact O-NE2 3.48Å; Q591-V606 CarbonylContact O-C 3.55Å; Q591-V606 WeakPolarHBondContact O-CA 3.07Å; Q591-R607 PolarHBondContact O-N 3.04Å; Q591-L671 HydrophobicContact CB-CD1 3.69Å; Q591-L671 HydrophobicContact CB-CD2 3.92Å; Q591-L671 HydrophobicContact CB-CG 4.45Å; Q591-L671 HydrophobicContact CG-CD1 4.07Å
592	L	96	Very high	86.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	139.8	178	-176.2	74.9	0	0	0	109.5	S581 S582 L590 L594 V605 V606 I628 F662 L671 A673	S581-L592 CarbonylContact C-O 3.58Å; S581-L592 VanDerWaalsContact CA-O 3.28Å; S581-L592 WeakPolarHBondContact CA-O 3.21Å; S582-L592 PolarHBondContact N-O 3.36Å; S582-L592 PolarHBondContact O-N 3.01Å; S582-L592 VanDerWaalsContact O-N 3.13Å; L590-L592 WeakPolarHBondContact CD1-O 3.37Å; L592-L594 HydrophobicContact CD1-CD1 4.32Å; L592-L594 HydrophobicContact CD1-CD2 4.18Å; L592-L594 HydrophobicContact CD1-CG 4.02Å; L592-L594 HydrophobicContact CD2-CD1 4.22Å; L592-L594 HydrophobicContact CD2-CG 4.35Å; L592-L594 HydrophobicContact CG-CD1 4.49Å; L592-L594 HydrophobicContact CG-CG 4.13Å; L592-V605 WeakPolarHBondContact CA-O 3.26Å; L592-V606 HydrophobicContact CD1-CB 3.78Å; L592-V606 HydrophobicContact CD1-CG2 3.72Å; L592-I628 HydrophobicContact CD1-CD1 3.56Å; L592-F662 HydrophobicContact CD2-CD2 3.94Å; L592-F662 HydrophobicContact CD2-CE1 4.19Å; L592-F662 HydrophobicContact CD2-CE2 3.57Å; L592-F662 HydrophobicContact CD2-CG 4.38Å; L592-F662 HydrophobicContact CD2-CZ 3.7Å; L592-L671 HydrophobicContact CB-CD2 3.96Å; L592-A673 HydrophobicContact CD2-CB 3.77Å
593	L	96	Very high	86.2	Confident	8 Å²	8	55.9 Å²	55.9	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	122.6	163.9	174.1	65	0	0	0	107.8	V526 W530 P578 L590 G604 V605	V526-L593 HydrophobicContact CG1-CD2 4.11Å; W530-L593 HydrophobicContact CD2-CD2 3.81Å; W530-L593 HydrophobicContact CE3-CD2 3.54Å; W530-L593 HydrophobicContact CG-CD2 4.31Å; W530-L593 HydrophobicContact CZ3-CD2 3.95Å; P578-L593 HydrophobicContact CB-CD1 4.37Å; L590-L593 HydrophobicContact CD1-CB 4.15Å; L590-L593 HydrophobicContact CD2-CB 3.91Å; L590-L593 HydrophobicContact CD2-CD2 4.44Å; L590-L593 HydrophobicContact CG-CB 4.46Å; L593-G604 CarbonylContact O-C 3.55Å; L593-G604 VanDerWaalsContact O-CA 3.31Å; L593-G604 WeakPolarHBondContact O-CA 3.3Å; L593-V605 HydrophobicContact CB-CG2 3.95Å; L593-V605 PolarHBondContact N-O 2.95Å; L593-V605 PolarHBondContact O-N 2.94Å
594	L	96.1	Very high	86.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135	175.4	-61.3	178.1	0	0	0	109.5	V579 M580 L592 L602 G603 A615 A617 L626 I628 F662	V579-L594 PolarHBondContact N-O 3.16Å; M580-L594 HydrophobicContact CG-CB 3.98Å; M580-L594 HydrophobicContact CG-CD1 4.15Å; M580-L594 HydrophobicContact CG-CG 4.36Å; M580-L594 PolarHBondContact N-O 2.84Å; M580-L594 PolarHBondContact O-N 3.48Å; M580-L594 HydrophobicContact SD-CD1 3.98Å; L592-L594 HydrophobicContact CD1-CD1 4.32Å; L592-L594 HydrophobicContact CD1-CD2 4.18Å; L592-L594 HydrophobicContact CD1-CG 4.02Å; L592-L594 HydrophobicContact CD2-CD1 4.22Å; L592-L594 HydrophobicContact CD2-CG 4.35Å; L592-L594 HydrophobicContact CG-CD1 4.49Å; L592-L594 HydrophobicContact CG-CG 4.13Å; L594-L602 HydrophobicContact CB-CB 4.24Å; L594-L602 HydrophobicContact CB-CD1 4.33Å; L594-L602 HydrophobicContact CD1-CB 4.49Å; L594-L602 HydrophobicContact CD1-CD1 4.22Å; L594-G603 WeakPolarHBondContact CA-O 3.4Å; L594-A615 HydrophobicContact CD2-CB 4.17Å; L594-A617 HydrophobicContact CD1-CB 4.09Å; L594-L626 HydrophobicContact CD1-CD2 4.03Å; L594-I628 HydrophobicContact CD2-CD1 4.42Å; L594-F662 HydrophobicContact CD1-CZ 4.19Å
595	V	92.6	Very high	86.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	158	175.5	-54.5	0	0	0	0	109	L522 V526 W530 L576 G597 L602 G603	L522-V595 HydrophobicContact CD1-CG2 4.08Å; L522-V595 HydrophobicContact CD2-CG2 3.7Å; L522-V595 HydrophobicContact CG-CG2 3.98Å; V526-V595 HydrophobicContact CG2-CG1 4.16Å; V526-V595 HydrophobicContact CG2-CG2 3.85Å; W530-V595 HydrophobicContact CH2-CG1 4.03Å; W530-V595 HydrophobicContact CZ3-CG1 3.91Å; L576-V595 HydrophobicContact CB-CG1 4.41Å; L576-V595 HydrophobicContact CD1-CG1 4.49Å; L576-V595 HydrophobicContact CD1-CG2 4.5Å; L576-V595 HydrophobicContact CD2-CG2 4.23Å; V595-G597 PolarHBondContact O-N 2.89Å; V595-L602 WeakPolarHBondContact O-CA 3.1Å; V595-G603 VanDerWaalsContact CG2-O 3.3Å; V595-G603 WeakPolarHBondContact CG2-O 3.44Å; V595-G603 PolarHBondContact N-O 3.44Å; V595-G603 PolarHBondContact O-N 3.31Å
596	M	86.3	Confident	87.6	Confident	47 Å²	47	39.9 Å²	39.9	23%	0.232	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	124.1	174.3	-76.3	-59.2	-67.7	0	0	110	M577 V579 L602 L685	M577-M596 PolarHBondContact O-N 2.87Å; V579-M596 HydrophobicContact CG2-CB 4.35Å; V579-M596 HydrophobicContact CG2-CG 3.51Å; V579-M596 HydrophobicContact CG2-SD 3.62Å; M596-L602 HydrophobicContact SD-CD2 3.62Å; M596-L685 HydrophobicContact SD-CD1 3.89Å; M596-L685 HydrophobicContact SD-CD2 4.14Å
597	G	78.1	Confident	88.1	Confident	18 Å²	18	32.3 Å²	32.3	19%	0.186	16%	0.161	C	C	.	.			trans	-92.5	-141.1	171.3	0	0	0	0	0	110.2	V595 S601	V595-G597 PolarHBondContact O-N 2.89Å; G597-S601 CarbonylContact C-O 3.55Å; G597-S601 WeakPolarHBondContact CA-O 3.43Å; G597-S601 PolarHBondContact N-O 3.45Å
598	V	68.7	Low	88.4	Confident	38 Å²	38	29.6 Å²	29.6	23%	0.23	14%	0.143	C	C	.	.	S	Bend	trans	-118	143.8	-176.6	-153.2	0	0	0	0	108.4	T518 F567 S601	T518-V598 HydrophobicContact CG2-CG2 4.13Å; F567-V598 HydrophobicContact CD1-CB 3.44Å; F567-V598 VanDerWaalsContact CD1-CB 3.44Å; F567-V598 HydrophobicContact CD1-CG1 3.77Å; F567-V598 HydrophobicContact CD1-CG2 3.26Å; F567-V598 HydrophobicContact CE1-CB 3.44Å; F567-V598 VanDerWaalsContact CE1-CB 3.44Å; F567-V598 HydrophobicContact CE1-CG1 4.26Å; F567-V598 HydrophobicContact CE1-CG2 3.29Å; V598-S601 PolarHBondContact N-OG 3.48Å; V598-S601 WeakPolarHBondContact O-CB 3.45Å; V598-S601 PolarHBondContact O-N 2.83Å; V598-S601 PolarHBondContact O-OG 3.41Å
599	D	68.7	Low	88.6	Confident	80 Å²	80	26.2 Å²	26.2	43%	0.428	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-149.6	-160.4	-160.3	29.2	0	0	0	109.3	R512 S601	R512-D599 IonicContact CZ-OD2 2.65Å; R512-D599 IonicContact NH1-OD2 3.1Å; R512-D599 PolarHBondContact NH1-OD2 2.73Å; R512-D599 IonicContact NH2-OD2 3.55Å; D599-S601 PolarHBondContact O-N 2.92Å; D599-S601 VanDerWaalsContact O-N 3.14Å
600	D	72.9	Confident	88.6	Confident	69 Å²	69	24.3 Å²	24.3	37%	0.369	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	11.2	176.2	-61.1	-42.9	0	0	0	114.5	P619	D600-P619 HydrophobicContact CB-CG 4.28Å; D600-P619 WeakPolarHBondContact O-CD 3.28Å
601	S	84.7	Confident	88.5	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.014	16%	0.157	C	C	.	.			trans	-82	151.4	-178.5	71.3	0	0	0	0	112.6	G597 V598 D599 F616	G597-S601 CarbonylContact C-O 3.55Å; G597-S601 WeakPolarHBondContact CA-O 3.43Å; G597-S601 PolarHBondContact N-O 3.45Å; V598-S601 PolarHBondContact N-OG 3.48Å; V598-S601 WeakPolarHBondContact O-CB 3.45Å; V598-S601 PolarHBondContact O-N 2.83Å; V598-S601 PolarHBondContact O-OG 3.41Å; D599-S601 PolarHBondContact O-N 2.92Å; D599-S601 VanDerWaalsContact O-N 3.14Å; S601-F616 VanDerWaalsContact CB-CZ 3.48Å
602	L	91.2	Very high	88.5	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.1	171.3	-56.9	-178.5	0	0	0	109.9	V579 M580 L594 V595 M596 A617 L626 L689	V579-L602 HydrophobicContact CB-CD2 4.35Å; V579-L602 HydrophobicContact CG1-CD1 4.05Å; V579-L602 HydrophobicContact CG1-CD2 4.39Å; V579-L602 HydrophobicContact CG2-CD2 3.88Å; M580-L602 HydrophobicContact CE-CD1 4Å; L594-L602 HydrophobicContact CB-CB 4.24Å; L594-L602 HydrophobicContact CB-CD1 4.33Å; L594-L602 HydrophobicContact CD1-CB 4.49Å; L594-L602 HydrophobicContact CD1-CD1 4.22Å; V595-L602 WeakPolarHBondContact O-CA 3.1Å; M596-L602 HydrophobicContact SD-CD2 3.62Å; L602-A617 HydrophobicContact CB-CB 4.31Å; L602-A617 PolarHBondContact N-O 3.14Å; L602-A617 PolarHBondContact O-N 2.81Å; L602-L626 HydrophobicContact CD1-CD1 4.3Å; L602-L626 HydrophobicContact CD1-CD2 3.9Å; L602-L689 HydrophobicContact CD1-CD2 4.05Å
603	G	91.8	Very high	88.5	Confident	1 Å²	1	27 Å²	27	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	157	176.4	0	0	0	0	0	111.3	L594 V595 A615	L594-G603 WeakPolarHBondContact CA-O 3.4Å; V595-G603 VanDerWaalsContact CG2-O 3.3Å; V595-G603 WeakPolarHBondContact CG2-O 3.44Å; V595-G603 PolarHBondContact N-O 3.44Å; V595-G603 PolarHBondContact O-N 3.31Å; G603-A615 CarbonylContact C-O 3.44Å
604	G	94.4	Very high	88.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.5	-131.3	172.9	0	0	0	0	0	112.8	L523 L593 P614 A615	L523-G604 WeakPolarHBondContact CD1-O 3.13Å; L593-G604 CarbonylContact O-C 3.55Å; L593-G604 VanDerWaalsContact O-CA 3.31Å; L593-G604 WeakPolarHBondContact O-CA 3.3Å; G604-P614 CarbonylContact O-C 3.49Å; G604-P614 WeakPolarHBondContact O-CA 3.16Å; G604-A615 PolarHBondContact N-O 2.61Å; G604-A615 PolarHBondContact O-N 3.01Å
605	V	96.2	Very high	88.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.6	-175.6	-63.3	0	0	0	0	112.3	L523 L537 L590 L592 L593 L612 Y613	L523-V605 HydrophobicContact CD1-CG1 3.78Å; L537-V605 HydrophobicContact CD1-CB 4.32Å; L537-V605 HydrophobicContact CD1-CG1 3.57Å; L537-V605 HydrophobicContact CD2-CG1 4.18Å; L590-V605 HydrophobicContact CD2-CG2 3.7Å; L592-V605 WeakPolarHBondContact CA-O 3.26Å; L593-V605 HydrophobicContact CB-CG2 3.95Å; L593-V605 PolarHBondContact N-O 2.95Å; L593-V605 PolarHBondContact O-N 2.94Å; V605-L612 HydrophobicContact CB-CD1 4.02Å; V605-L612 HydrophobicContact CB-CD2 4.25Å; V605-L612 HydrophobicContact CB-CG 4.04Å; V605-L612 HydrophobicContact CG2-CD1 4.09Å; V605-L612 HydrophobicContact CG2-CD2 4.23Å; V605-L612 HydrophobicContact CG2-CG 4.38Å; V605-Y613 CarbonylContact C-O 3.56Å; V605-Y613 VanDerWaalsContact CA-O 3.25Å; V605-Y613 WeakPolarHBondContact CA-O 3.01Å
606	V	95.8	Very high	88.5	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140.2	176.8	68.2	0	0	0	0	110.6	Q591 L592 L608 Y613 A615 I628 A630 L664	Q591-V606 CarbonylContact O-C 3.55Å; Q591-V606 WeakPolarHBondContact O-CA 3.07Å; L592-V606 HydrophobicContact CD1-CB 3.78Å; L592-V606 HydrophobicContact CD1-CG2 3.72Å; V606-L608 HydrophobicContact CG1-CD1 4.29Å; V606-L608 HydrophobicContact CG1-CG 4.17Å; V606-L608 HydrophobicContact CG2-CD2 4.26Å; V606-Y613 PolarHBondContact N-O 2.81Å; V606-Y613 PolarHBondContact O-N 3.02Å; V606-A615 HydrophobicContact CB-CB 3.82Å; V606-A615 HydrophobicContact CG1-CB 3.68Å; V606-I628 HydrophobicContact CB-CD1 4.12Å; V606-I628 HydrophobicContact CG1-CD1 4.46Å; V606-I628 HydrophobicContact CG2-CD1 4.16Å; V606-A630 HydrophobicContact CG1-CB 4.08Å; V606-L664 HydrophobicContact CG2-CD1 4Å
607	R	93.8	Very high	88.9	Confident	25 Å²	25	24.7 Å²	24.7	9%	0.094	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.8	176	-169.8	175.6	-58.5	-79.6	-6.6	110.5	L590 Q591 G610 T611 L612	L590-R607 PolarHBondContact O-NE 3.1Å; L590-R607 PolarHBondContact O-NH2 3.4Å; Q591-R607 PolarHBondContact O-N 3.04Å; R607-G610 PolarHBondContact NH1-O 2.88Å; R607-T611 CarbonylContact C-O 3.55Å; R607-T611 VanDerWaalsContact CA-O 3.31Å; R607-T611 WeakPolarHBondContact CA-O 3.11Å; R607-L612 HydrophobicContact CB-CD1 4.13Å
608	L	92.2	Very high	89.4	Confident	20 Å²	20	24 Å²	24	11%	0.105	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.3	176.9	-57.6	174.9	0	0	0	108.9	V606 G610 T611 Y613 A630 A639 L664 T666	V606-L608 HydrophobicContact CG1-CD1 4.29Å; V606-L608 HydrophobicContact CG1-CG 4.17Å; V606-L608 HydrophobicContact CG2-CD2 4.26Å; L608-G610 VanDerWaalsContact C-N 3.26Å; L608-G610 PolarHBondContact O-N 2.96Å; L608-T611 PolarHBondContact N-O 3.16Å; L608-T611 PolarHBondContact O-N 3.44Å; L608-Y613 HydrophobicContact CB-CD2 4.25Å; L608-Y613 HydrophobicContact CB-CE2 4.48Å; L608-Y613 HydrophobicContact CD1-CD2 4.48Å; L608-A630 HydrophobicContact CD1-CB 3.55Å; L608-A639 HydrophobicContact CD1-CB 3.82Å; L608-A639 HydrophobicContact CD2-CB 4.3Å; L608-L664 HydrophobicContact CD2-CB 4.27Å; L608-L664 HydrophobicContact CD2-CD1 4.16Å; L608-T666 HydrophobicContact CB-CG2 4.47Å
609	N	89	Confident	90.3	Very high	126 Å²	126	22.5 Å²	22.5	67%	0.674	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.2	47.9	-176	-75.8	-25.6	0	0	0	113.3	T611 T666	N609-T611 PolarHBondContact O-N 3.12Å; N609-T611 VanDerWaalsContact O-N 3.09Å; N609-T666 PolarHBondContact N-OG1 3.25Å; N609-T666 WeakPolarHBondContact ND2-CG2 3.39Å; N609-T666 VanDerWaalsContact OD1-CB 3.29Å; N609-T666 WeakPolarHBondContact OD1-CB 3.38Å; N609-T666 PolarHBondContact OD1-O 3.1Å
610	G	88.1	Confident	90.8	Very high	53 Å²	53	19.4 Å²	19.4	55%	0.546	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	-13.1	179.7	0	0	0	0	0	115.7	R607 L608	R607-G610 PolarHBondContact NH1-O 2.88Å; L608-G610 VanDerWaalsContact C-N 3.26Å; L608-G610 PolarHBondContact O-N 2.96Å
611	T	92.2	Very high	90.6	Very high	47 Å²	47	17.2 Å²	17.2	29%	0.288	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.6	-178.6	-55.8	0	0	0	0	111.1	R538 R607 L608 N609 Y613	R538-T611 HydrophobicContact CB-CG2 3.77Å; R607-T611 CarbonylContact C-O 3.55Å; R607-T611 VanDerWaalsContact CA-O 3.31Å; R607-T611 WeakPolarHBondContact CA-O 3.11Å; L608-T611 PolarHBondContact N-O 3.16Å; L608-T611 PolarHBondContact O-N 3.44Å; N609-T611 PolarHBondContact O-N 3.12Å; N609-T611 VanDerWaalsContact O-N 3.09Å; T611-Y613 HydrophobicContact CG2-CD2 4.18Å; T611-Y613 HydrophobicContact CG2-CE1 4.18Å; T611-Y613 HydrophobicContact CG2-CE2 3.56Å; T611-Y613 WeakPolarHBondContact O-CD2 3.49Å
612	L	94.5	Very high	89.9	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.1	177.5	-166.8	72.9	0	0	0	109.7	L537 R538 V605 R607	L537-L612 HydrophobicContact CB-CD2 4.34Å; L537-L612 HydrophobicContact CD1-CB 4.48Å; L537-L612 HydrophobicContact CD1-CD2 4.15Å; L537-L612 HydrophobicContact CD1-CG 4Å; R538-L612 PolarHBondContact N-O 3.25Å; V605-L612 HydrophobicContact CB-CD1 4.02Å; V605-L612 HydrophobicContact CB-CD2 4.25Å; V605-L612 HydrophobicContact CB-CG 4.04Å; V605-L612 HydrophobicContact CG2-CD1 4.09Å; V605-L612 HydrophobicContact CG2-CD2 4.23Å; V605-L612 HydrophobicContact CG2-CG 4.38Å; R607-L612 HydrophobicContact CB-CD1 4.13Å
613	Y	95.6	Very high	89.4	Confident	30 Å²	30	24.7 Å²	24.7	12%	0.118	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	152.7	180	-70.7	-78.3	0	0	0	111.2	R538 V605 V606 L608 T611 A615 T632	R538-Y613 HydrophobicContact CB-CD1 4.21Å; R538-Y613 HydrophobicContact CB-CE1 3.99Å; R538-Y613 HydrophobicContact CG-CD1 4.5Å; R538-Y613 HydrophobicContact CG-CE1 3.94Å; R538-Y613 PolarHBondContact NH1-OH 3Å; V605-Y613 CarbonylContact C-O 3.56Å; V605-Y613 VanDerWaalsContact CA-O 3.25Å; V605-Y613 WeakPolarHBondContact CA-O 3.01Å; V606-Y613 PolarHBondContact N-O 2.81Å; V606-Y613 PolarHBondContact O-N 3.02Å; L608-Y613 HydrophobicContact CB-CD2 4.25Å; L608-Y613 HydrophobicContact CB-CE2 4.48Å; L608-Y613 HydrophobicContact CD1-CD2 4.48Å; T611-Y613 HydrophobicContact CG2-CD2 4.18Å; T611-Y613 HydrophobicContact CG2-CE1 4.18Å; T611-Y613 HydrophobicContact CG2-CE2 3.56Å; T611-Y613 WeakPolarHBondContact O-CD2 3.49Å; Y613-A615 PolarHBondContact O-N 3.47Å; Y613-T632 HydrophobicContact CD1-CG2 4.17Å; Y613-T632 HydrophobicContact CE1-CG2 4.14Å
614	P	95.5	Very high	88.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	134.1	165.4	-19	30.1	0	0	0	110.2	F519 L523 L537 R538 G604 A630 L631	F519-P614 HydrophobicContact CE1-CB 3.74Å; F519-P614 HydrophobicContact CZ-CB 3.85Å; L523-P614 HydrophobicContact CD1-CB 4.14Å; L523-P614 HydrophobicContact CD2-CB 3.8Å; L523-P614 HydrophobicContact CD2-CG 3.64Å; L537-P614 HydrophobicContact CD1-CG 4.3Å; R538-P614 WeakPolarHBondContact O-CD 3.39Å; G604-P614 CarbonylContact O-C 3.49Å; G604-P614 WeakPolarHBondContact O-CA 3.16Å; P614-A630 CarbonylContact O-C 3.58Å; P614-A630 VanDerWaalsContact O-CA 3.29Å; P614-A630 WeakPolarHBondContact O-CA 3.4Å; P614-L631 HydrophobicContact CB-CB 4.09Å; P614-L631 HydrophobicContact CG-CB 4.43Å; P614-L631 PolarHBondContact O-N 2.93Å
615	A	95.2	Very high	88.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.6	-177.2	0	0	0	0	0	111.3	F519 L594 G603 G604 V606 Y613 I628 S629	F519-A615 VanDerWaalsContact CE2-O 3.22Å; F519-A615 WeakPolarHBondContact CE2-O 3.44Å; F519-A615 WeakPolarHBondContact CZ-O 3.41Å; L594-A615 HydrophobicContact CD2-CB 4.17Å; G603-A615 CarbonylContact C-O 3.44Å; G604-A615 PolarHBondContact N-O 2.61Å; G604-A615 PolarHBondContact O-N 3.01Å; V606-A615 HydrophobicContact CB-CB 3.82Å; V606-A615 HydrophobicContact CG1-CB 3.68Å; Y613-A615 PolarHBondContact O-N 3.47Å; A615-I628 HydrophobicContact CB-CD1 4.11Å; A615-I628 HydrophobicContact CB-CG1 4.34Å; A615-S629 CarbonylContact C-O 3.54Å; A615-S629 WeakPolarHBondContact CA-O 3.15Å
616	F	93.2	Very high	88.5	Confident	7 Å²	7	30.4 Å²	30.4	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.5	173.2	-169.1	-106.4	0	0	0	108.3	Y514 F519 F547 L549 S601 V618 S629	Y514-F616 HydrophobicContact CD1-CE1 4.28Å; Y514-F616 AromaticContact CD1-CZ 3.69Å; Y514-F616 HydrophobicContact CD1-CZ 3.69Å; Y514-F616 HydrophobicContact CD2-CE1 4.07Å; Y514-F616 HydrophobicContact CD2-CZ 4.3Å; Y514-F616 HydrophobicContact CE1-CE1 4.18Å; Y514-F616 AromaticContact CE1-CZ 3.67Å; Y514-F616 HydrophobicContact CE1-CZ 3.67Å; Y514-F616 AromaticContact CE2-CE1 3.99Å; Y514-F616 HydrophobicContact CE2-CE1 3.99Å; Y514-F616 HydrophobicContact CE2-CZ 4.3Å; Y514-F616 HydrophobicContact CG-CE1 4.22Å; Y514-F616 HydrophobicContact CG-CZ 4Å; Y514-F616 AromaticContact CZ-CZ 3.98Å; F519-F616 HydrophobicContact CD2-CD2 4Å; F519-F616 HydrophobicContact CE2-CB 4.45Å; F519-F616 HydrophobicContact CE2-CD2 4.15Å; F519-F616 HydrophobicContact CZ-CB 4.33Å; F547-F616 AromaticContact CE2-CD1 3.74Å; F547-F616 HydrophobicContact CE2-CD1 3.74Å; F547-F616 HydrophobicContact CE2-CD2 4.33Å; F547-F616 AromaticContact CE2-CE1 3.8Å; F547-F616 HydrophobicContact CE2-CE1 3.8Å; F547-F616 HydrophobicContact CE2-CE2 4.4Å; F547-F616 HydrophobicContact CE2-CG 4.01Å; F547-F616 HydrophobicContact CE2-CZ 4.14Å; F547-F616 HydrophobicContact CZ-CD1 4.43Å; F547-F616 HydrophobicContact CZ-CD2 4.25Å; F547-F616 HydrophobicContact CZ-CE2 4.41Å; F547-F616 HydrophobicContact CZ-CG 4.26Å; L549-F616 HydrophobicContact CD1-CD1 3.99Å; L549-F616 HydrophobicContact CD1-CE1 3.73Å; S601-F616 VanDerWaalsContact CB-CZ 3.48Å; F616-V618 HydrophobicContact CD1-CG2 3.87Å; F616-V618 HydrophobicContact CE1-CG2 3.32Å; F616-V618 HydrophobicContact CZ-CG2 3.98Å; F616-S629 PolarHBondContact N-O 3.46Å; F616-S629 PolarHBondContact O-N 3.24Å
617	A	94.1	Very high	88.4	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.8	-176.7	0	0	0	0	0	111	L594 L602 L626 V627 I628	L594-A617 HydrophobicContact CD1-CB 4.09Å; L602-A617 HydrophobicContact CB-CB 4.31Å; L602-A617 PolarHBondContact N-O 3.14Å; L602-A617 PolarHBondContact O-N 2.81Å; A617-L626 HydrophobicContact CB-CD1 3.95Å; A617-L626 HydrophobicContact CB-CD2 4.09Å; A617-L626 HydrophobicContact CB-CG 3.89Å; A617-V627 CarbonylContact C-O 3.59Å; A617-V627 WeakPolarHBondContact CA-O 3.31Å; A617-I628 HydrophobicContact CB-CB 4.09Å; A617-I628 HydrophobicContact CB-CG1 4.15Å
618	V	89.9	Confident	88.5	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	133	-177.7	-175.7	0	0	0	0	109.5	L549 R553 F616 S620 V627	L549-V618 HydrophobicContact CD1-CB 4.13Å; L549-V618 HydrophobicContact CD1-CG2 3.48Å; L549-V618 VanDerWaalsContact CD1-CG2 3.48Å; R553-V618 HydrophobicContact CG-CG1 4.37Å; F616-V618 HydrophobicContact CD1-CG2 3.87Å; F616-V618 HydrophobicContact CE1-CG2 3.32Å; F616-V618 HydrophobicContact CZ-CG2 3.98Å; V618-S620 PolarHBondContact O-N 2.88Å; V618-V627 PolarHBondContact N-O 2.8Å; V618-V627 PolarHBondContact O-N 3.32Å
619	P	86.8	Confident	88.7	Confident	7 Å²	7	28.7 Å²	28.7	5%	0.045	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	134.8	170.7	-28.1	36.8	0	0	0	112.1	R553 D600 L626 S688	R553-P619 WeakPolarHBondContact CG-O 3.39Å; R553-P619 PolarHBondContact NE-O 2.91Å; R553-P619 VanDerWaalsContact NE-O 3.12Å; D600-P619 HydrophobicContact CB-CG 4.28Å; D600-P619 WeakPolarHBondContact O-CD 3.28Å; P619-L626 HydrophobicContact CG-CD1 4.12Å; P619-S688 WeakPolarHBondContact CB-O 3.41Å
620	S	79.1	Confident	88.9	Confident	14 Å²	14	22.7 Å²	22.7	10%	0.098	14%	0.141	C	C	.	.			trans	-57.2	158.9	164.4	49.9	0	0	0	0	110.8	V618 D622 N623 S624 Q625	V618-S620 PolarHBondContact O-N 2.88Å; S620-D622 PolarHBondContact O-N 2.87Å; S620-D622 PolarHBondContact OG-OD1 2.94Å; S620-D622 VanDerWaalsContact OG-OD1 3.09Å; S620-N623 PolarHBondContact O-N 3.39Å; S620-N623 PolarHBondContact O-OD1 3.12Å; S620-S624 PolarHBondContact OG-N 3.02Å; S620-Q625 WeakPolarHBondContact CB-O 3.32Å; S620-Q625 PolarHBondContact N-O 2.81Å; S620-Q625 PolarHBondContact OG-N 2.85Å; S620-Q625 PolarHBondContact OG-O 2.8Å
621	A	68.9	Low	89.2	Confident	24 Å²	24	20.2 Å²	20.2	20%	0.198	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.5	-175.6	0	0	0	0	0	114.2	R494	R494-A621 VanDerWaalsContact O-CB 3.3Å; R494-A621 WeakPolarHBondContact O-CB 3.22Å
622	D	71.1	Confident	89	Confident	111 Å²	111	19.2 Å²	19.2	59%	0.594	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	5.3	176.8	63.3	-0.1	0	0	0	112.9	S620 S624	S620-D622 PolarHBondContact O-N 2.87Å; S620-D622 PolarHBondContact OG-OD1 2.94Å; S620-D622 VanDerWaalsContact OG-OD1 3.09Å; D622-S624 PolarHBondContact O-N 2.79Å; D622-S624 VanDerWaalsContact OD1-CB 3.25Å; D622-S624 WeakPolarHBondContact OD1-CB 3.26Å; D622-S624 PolarHBondContact OD1-N 2.83Å; D622-S624 PolarHBondContact OD1-OG 3.1Å; D622-S624 PolarHBondContact OD2-OG 3.23Å
623	N	79.6	Confident	88.7	Confident	49 Å²	49	22.5 Å²	22.5	26%	0.262	13%	0.126	S	C	.	.	S	Bend	trans	54.9	17.2	-174.1	-59.1	-28.9	0	0	0	114.3	S620 Q625 R687 G690	S620-N623 PolarHBondContact O-N 3.39Å; S620-N623 PolarHBondContact O-OD1 3.12Å; N623-Q625 VanDerWaalsContact C-N 3.26Å; N623-Q625 PolarHBondContact O-N 3.07Å; N623-R687 WeakPolarHBondContact CB-O 3.21Å; N623-G690 WeakPolarHBondContact O-CA 3.44Å; N623-G690 PolarHBondContact O-N 2.85Å
624	S	80.2	Confident	88.1	Confident	54 Å²	54	29 Å²	29	38%	0.378	16%	0.155	S	C	.	.	S	Bend	trans	-72.7	-24.8	179.6	65.5	0	0	0	0	112.6	S620 D622	S620-S624 PolarHBondContact OG-N 3.02Å; D622-S624 PolarHBondContact O-N 2.79Å; D622-S624 VanDerWaalsContact OD1-CB 3.25Å; D622-S624 WeakPolarHBondContact OD1-CB 3.26Å; D622-S624 PolarHBondContact OD1-N 2.83Å; D622-S624 PolarHBondContact OD1-OG 3.1Å; D622-S624 PolarHBondContact OD2-OG 3.23Å
625	Q	89.8	Confident	87.7	Confident	68 Å²	68	30.2 Å²	30.2	32%	0.318	17%	0.167	S	C	.	.			trans	-140.9	144.7	-176.3	-61.5	179.8	-0	0	0	111.5	S620 N623 Y641 G642 V643	S620-Q625 WeakPolarHBondContact CB-O 3.32Å; S620-Q625 PolarHBondContact N-O 2.81Å; S620-Q625 PolarHBondContact OG-N 2.85Å; S620-Q625 PolarHBondContact OG-O 2.8Å; N623-Q625 VanDerWaalsContact C-N 3.26Å; N623-Q625 PolarHBondContact O-N 3.07Å; Q625-Y641 HydrophobicContact CB-CD2 4.41Å; Q625-Y641 HydrophobicContact CG-CD2 3.98Å; Q625-G642 CarbonylContact C-O 3.45Å; Q625-G642 WeakPolarHBondContact CA-O 3.39Å; Q625-V643 HydrophobicContact CG-CG2 4.34Å
626	L	94.3	Very high	87.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	101	163.9	-178.6	69.1	0	0	0	109	M580 L594 L602 A617 P619 I628 Y641 G642 M660 F662 L689	M580-L626 HydrophobicContact CE-CD2 4.1Å; M580-L626 HydrophobicContact SD-CD2 4.39Å; L594-L626 HydrophobicContact CD1-CD2 4.03Å; L602-L626 HydrophobicContact CD1-CD1 4.3Å; L602-L626 HydrophobicContact CD1-CD2 3.9Å; A617-L626 HydrophobicContact CB-CD1 3.95Å; A617-L626 HydrophobicContact CB-CD2 4.09Å; A617-L626 HydrophobicContact CB-CG 3.89Å; P619-L626 HydrophobicContact CG-CD1 4.12Å; L626-I628 PolarHBondContact O-N 2.79Å; L626-Y641 CarbonylContact O-C 3.54Å; L626-Y641 VanDerWaalsContact O-CA 3.26Å; L626-Y641 WeakPolarHBondContact O-CA 3.38Å; L626-G642 PolarHBondContact N-O 3.01Å; L626-G642 PolarHBondContact O-N 3.24Å; L626-M660 HydrophobicContact CB-CE 4Å; L626-M660 HydrophobicContact CD2-CE 4.47Å; L626-M660 HydrophobicContact CD2-SD 4.47Å; L626-F662 HydrophobicContact CD2-CE1 4.14Å; L626-F662 HydrophobicContact CD2-CZ 3.87Å; L626-L689 HydrophobicContact CD1-CD2 4.18Å; L626-L689 HydrophobicContact CD2-CD2 3.87Å; L626-L689 HydrophobicContact CG-CD2 4.43Å
627	V	94	Very high	87.5	Confident	7 Å²	7	37 Å²	37	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	124.4	-177.9	175.5	0	0	0	0	109.4	R553 A617 V618 Y638	R553-V627 HydrophobicContact CB-CB 3.89Å; R553-V627 HydrophobicContact CB-CG1 4.15Å; R553-V627 HydrophobicContact CB-CG2 4.07Å; A617-V627 CarbonylContact C-O 3.59Å; A617-V627 WeakPolarHBondContact CA-O 3.31Å; V618-V627 PolarHBondContact N-O 2.8Å; V618-V627 PolarHBondContact O-N 3.32Å; V627-Y638 HydrophobicContact CG1-CD2 3.93Å; V627-Y638 HydrophobicContact CG1-CE2 3.75Å
628	I	96.1	Very high	87.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.9	-177.4	-172.6	168.2	0	0	0	111.3	L592 L594 V606 A615 A617 L626 A639 G640 F662 L664	L592-I628 HydrophobicContact CD1-CD1 3.56Å; L594-I628 HydrophobicContact CD2-CD1 4.42Å; V606-I628 HydrophobicContact CB-CD1 4.12Å; V606-I628 HydrophobicContact CG1-CD1 4.46Å; V606-I628 HydrophobicContact CG2-CD1 4.16Å; A615-I628 HydrophobicContact CB-CD1 4.11Å; A615-I628 HydrophobicContact CB-CG1 4.34Å; A617-I628 HydrophobicContact CB-CB 4.09Å; A617-I628 HydrophobicContact CB-CG1 4.15Å; L626-I628 PolarHBondContact O-N 2.79Å; I628-A639 HydrophobicContact CG2-CB 4.35Å; I628-A639 WeakPolarHBondContact O-CA 3.44Å; I628-A639 WeakPolarHBondContact O-CB 2.85Å; I628-A639 PolarHBondContact O-N 2.58Å; I628-G640 VanDerWaalsContact CG2-C 3.46Å; I628-G640 WeakPolarHBondContact CG2-O 3.35Å; I628-G640 PolarHBondContact N-O 2.98Å; I628-G640 PolarHBondContact O-N 3.11Å; I628-G640 VanDerWaalsContact O-N 3.1Å; I628-F662 HydrophobicContact CD1-CE1 4.41Å; I628-F662 HydrophobicContact CG2-CD1 4.18Å; I628-F662 HydrophobicContact CG2-CE1 4.4Å; I628-L664 HydrophobicContact CG2-CD2 3.86Å
629	S	95.2	Very high	87.7	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.2	175.7	-66	0	0	0	0	110.8	A615 F616 R637	A615-S629 CarbonylContact C-O 3.54Å; A615-S629 WeakPolarHBondContact CA-O 3.15Å; F616-S629 PolarHBondContact N-O 3.46Å; F616-S629 PolarHBondContact O-N 3.24Å; S629-R637 CarbonylContact C-O 3.26Å; S629-R637 VanDerWaalsContact CA-O 3.22Å; S629-R637 WeakPolarHBondContact CA-O 3.4Å; S629-R637 WeakPolarHBondContact CB-O 3.44Å
630	A	94.5	Very high	88.1	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135	175.9	0	0	0	0	0	110.8	V606 L608 P614 R637 A639	V606-A630 HydrophobicContact CG1-CB 4.08Å; L608-A630 HydrophobicContact CD1-CB 3.55Å; P614-A630 CarbonylContact O-C 3.58Å; P614-A630 VanDerWaalsContact O-CA 3.29Å; P614-A630 WeakPolarHBondContact O-CA 3.4Å; A630-R637 PolarHBondContact N-O 3.19Å; A630-R637 PolarHBondContact O-N 3.01Å; A630-A639 HydrophobicContact CB-CB 4.12Å
631	L	92.6	Very high	89	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	117.4	175	-169.9	61.8	0	0	0	109.4	F519 P540 W543 P544 P614 L636	F519-L631 HydrophobicContact CD1-CD2 4.35Å; F519-L631 HydrophobicContact CE1-CB 4.47Å; F519-L631 HydrophobicContact CE1-CD2 4.28Å; P540-L631 HydrophobicContact CG-CD2 3.86Å; P540-L631 HydrophobicContact CG-CG 4.03Å; W543-L631 HydrophobicContact CD2-CD2 4.22Å; W543-L631 HydrophobicContact CE3-CD2 3.53Å; W543-L631 HydrophobicContact CH2-CD2 3.95Å; W543-L631 HydrophobicContact CZ3-CD2 3.42Å; W543-L631 VanDerWaalsContact CZ3-CD2 3.42Å; P544-L631 HydrophobicContact CG-CD1 4.26Å; P614-L631 HydrophobicContact CB-CB 4.09Å; P614-L631 HydrophobicContact CG-CB 4.43Å; P614-L631 PolarHBondContact O-N 2.93Å; L631-L636 HydrophobicContact CB-CD1 4.21Å; L631-L636 HydrophobicContact CD1-CB 4.15Å; L631-L636 HydrophobicContact CD1-CD1 4.26Å
632	T	89.8	Confident	90.2	Very high	27 Å²	27	40.4 Å²	40.4	17%	0.166	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	174.1	-178.7	69.9	0	0	0	0	110.6	Y613 K634 G635	Y613-T632 HydrophobicContact CD1-CG2 4.17Å; Y613-T632 HydrophobicContact CE1-CG2 4.14Å; T632-K634 PolarHBondContact O-N 3.38Å; T632-K634 PolarHBondContact OG1-N 2.9Å; T632-G635 PolarHBondContact N-O 2.8Å; T632-G635 PolarHBondContact O-N 2.8Å; T632-G635 PolarHBondContact OG1-O 2.82Å
633	D	86.3	Confident	91.3	Very high	69 Å²	69	37.4 Å²	37.4	37%	0.369	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-18.8	170.1	-66.2	-43.5	0	0	0	113.3	R538 P540 K541	R538-D633 IonicContact CZ-OD2 3.61Å; R538-D633 IonicContact NE-OD2 3.62Å; R538-D633 PolarHBondContact NE-OD2 3.18Å; R538-D633 IonicContact NH2-OD2 2.79Å; R538-D633 PolarHBondContact NH2-OD2 3.46Å; P540-D633 WeakPolarHBondContact CA-OD1 3.43Å; K541-D633 PolarHBondContact N-OD1 2.87Å
634	K	84.7	Confident	91.9	Very high	168 Å²	168	35.4 Å²	35.4	73%	0.73	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	14.1	176.5	-61.8	-174.3	177.9	-178.2	0	112.9	T632 R637	T632-K634 PolarHBondContact O-N 3.38Å; T632-K634 PolarHBondContact OG1-N 2.9Å; K634-R637 VanDerWaalsContact O-CZ 3.32Å; K634-R637 PolarHBondContact O-NE 3.38Å; K634-R637 PolarHBondContact O-NH2 3.06Å
635	G	87.1	Confident	92.3	Very high	24 Å²	24	34.5 Å²	34.5	25%	0.247	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.7	-170.2	-173.9	0	0	0	0	0	113.5	T632	T632-G635 PolarHBondContact N-O 2.8Å; T632-G635 PolarHBondContact O-N 2.8Å; T632-G635 PolarHBondContact OG1-O 2.82Å
636	L	91.1	Very high	92.3	Very high	14 Å²	14	32.6 Å²	32.6	7%	0.073	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.1	-177.8	-165.9	72.2	0	0	0	110.3	F547 L549 P555 L631	F547-L636 HydrophobicContact CB-CB 4.26Å; F547-L636 HydrophobicContact CB-CD2 3.97Å; F547-L636 HydrophobicContact CD2-CD2 3.6Å; F547-L636 HydrophobicContact CE2-CD2 4.31Å; F547-L636 HydrophobicContact CG-CD2 3.93Å; L549-L636 HydrophobicContact CD2-CD2 3.69Å; P555-L636 HydrophobicContact CB-CB 4.36Å; P555-L636 HydrophobicContact CB-CD2 4.3Å; P555-L636 HydrophobicContact CB-CG 4.38Å; P555-L636 WeakPolarHBondContact CB-O 3.25Å; P555-L636 HydrophobicContact CG-CB 4.28Å; P555-L636 HydrophobicContact CG-CD2 3.93Å; P555-L636 HydrophobicContact CG-CG 3.85Å; L631-L636 HydrophobicContact CB-CD1 4.21Å; L631-L636 HydrophobicContact CD1-CB 4.15Å; L631-L636 HydrophobicContact CD1-CD1 4.26Å
637	R	91.6	Very high	91.6	Very high	137 Å²	137	39.1 Å²	39.1	52%	0.517	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.3	-178.6	-61.9	-62.8	176.5	-155.3	-1.2	109.9	S629 A630 K634 A639	S629-R637 CarbonylContact C-O 3.26Å; S629-R637 VanDerWaalsContact CA-O 3.22Å; S629-R637 WeakPolarHBondContact CA-O 3.4Å; S629-R637 WeakPolarHBondContact CB-O 3.44Å; A630-R637 PolarHBondContact N-O 3.19Å; A630-R637 PolarHBondContact O-N 3.01Å; K634-R637 VanDerWaalsContact O-CZ 3.32Å; K634-R637 PolarHBondContact O-NE 3.38Å; K634-R637 PolarHBondContact O-NH2 3.06Å; R637-A639 PolarHBondContact O-N 2.85Å
638	Y	94.2	Very high	90.6	Very high	45 Å²	45	42.9 Å²	42.9	18%	0.176	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	125.2	171.5	176.8	-90.3	0	0	0	110.4	Q554 V627 G640 Y641 K665	Q554-Y638 HydrophobicContact CB-CD2 4.39Å; Q554-Y638 HydrophobicContact CG-CD2 3.65Å; Q554-Y638 HydrophobicContact CG-CE2 4.01Å; V627-Y638 HydrophobicContact CG1-CD2 3.93Å; V627-Y638 HydrophobicContact CG1-CE2 3.75Å; Y638-G640 VanDerWaalsContact CE2-O 3.31Å; Y638-G640 WeakPolarHBondContact CE2-O 3.43Å; Y638-Y641 VanDerWaalsContact OH-CD1 3.28Å; Y638-Y641 WeakPolarHBondContact OH-CD1 3.24Å; Y638-K665 HydrophobicContact CD1-CD 3.79Å; Y638-K665 HydrophobicContact CD1-CG 4.21Å; Y638-K665 HydrophobicContact CE1-CD 4.2Å; Y638-K665 HydrophobicContact CE1-CG 4.17Å
639	A	95.4	Very high	89.2	Confident	3 Å²	3	47.7 Å²	47.7	3%	0.025	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-28.7	-178.5	0	0	0	0	0	112.2	L608 I628 A630 R637 L664 K665	L608-A639 HydrophobicContact CD1-CB 3.82Å; L608-A639 HydrophobicContact CD2-CB 4.3Å; I628-A639 HydrophobicContact CG2-CB 4.35Å; I628-A639 WeakPolarHBondContact O-CA 3.44Å; I628-A639 WeakPolarHBondContact O-CB 2.85Å; I628-A639 PolarHBondContact O-N 2.58Å; A630-A639 HydrophobicContact CB-CB 4.12Å; R637-A639 PolarHBondContact O-N 2.85Å; A639-L664 CarbonylContact O-C 3.51Å; A639-L664 WeakPolarHBondContact O-CA 3.46Å; A639-K665 PolarHBondContact O-N 3.49Å
640	G	95.7	Very high	87.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.9	-156.9	-177.3	0	0	0	0	0	111.9	I628 Y638 H663	I628-G640 VanDerWaalsContact CG2-C 3.46Å; I628-G640 WeakPolarHBondContact CG2-O 3.35Å; I628-G640 PolarHBondContact N-O 2.98Å; I628-G640 PolarHBondContact O-N 3.11Å; I628-G640 VanDerWaalsContact O-N 3.1Å; Y638-G640 VanDerWaalsContact CE2-O 3.31Å; Y638-G640 WeakPolarHBondContact CE2-O 3.43Å; G640-H663 WeakPolarHBondContact CA-O 3.4Å
641	Y	96.2	Very high	86.7	Confident	70 Å²	70	57.2 Å²	57.2	28%	0.275	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	156	174.6	63	-79.2	0	0	0	110.7	Q625 L626 Y638 V643 F662 H663	Q625-Y641 HydrophobicContact CB-CD2 4.41Å; Q625-Y641 HydrophobicContact CG-CD2 3.98Å; L626-Y641 CarbonylContact O-C 3.54Å; L626-Y641 VanDerWaalsContact O-CA 3.26Å; L626-Y641 WeakPolarHBondContact O-CA 3.38Å; Y638-Y641 VanDerWaalsContact OH-CD1 3.28Å; Y638-Y641 WeakPolarHBondContact OH-CD1 3.24Å; Y641-V643 HydrophobicContact CD2-CG2 3.8Å; Y641-V643 HydrophobicContact CE2-CG2 3.8Å; Y641-F662 CarbonylContact O-C 3.56Å; Y641-F662 WeakPolarHBondContact O-CA 3.35Å; Y641-H663 HydrophobicContact CD1-CB 4.29Å; Y641-H663 HydrophobicContact CE1-CB 3.83Å; Y641-H663 HydrophobicContact CE2-CB 4.39Å; Y641-H663 AromaticContact CE2-CD2 3.55Å; Y641-H663 AromaticContact CZ-CD2 3.71Å; Y641-H663 AromaticContact CZ-CG 3.98Å; Y641-H663 PolarHBondContact N-O 3.13Å; Y641-H663 PolarHBondContact O-N 2.82Å
642	G	95.4	Very high	85.6	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	146.3	172.8	0	0	0	0	0	111.7	Q625 L626 E661	Q625-G642 CarbonylContact C-O 3.45Å; Q625-G642 WeakPolarHBondContact CA-O 3.39Å; L626-G642 PolarHBondContact N-O 3.01Å; L626-G642 PolarHBondContact O-N 3.24Å; G642-E661 CarbonylContact C-O 3.56Å; G642-E661 VanDerWaalsContact CA-O 3.24Å; G642-E661 WeakPolarHBondContact CA-O 3.09Å
643	V	94.2	Very high	84.8	Confident	48 Å²	48	69.9 Å²	69.9	29%	0.291	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.5	175	-172.4	0	0	0	0	108.9	Q625 Y641 M660 E661	Q625-V643 HydrophobicContact CG-CG2 4.34Å; Y641-V643 HydrophobicContact CD2-CG2 3.8Å; Y641-V643 HydrophobicContact CE2-CG2 3.8Å; V643-M660 WeakPolarHBondContact O-CA 3.34Å; V643-E661 PolarHBondContact N-O 3.45Å; V643-E661 PolarHBondContact O-N 2.97Å
644	A	92.7	Very high	84.3	Confident	8 Å²	8	68.1 Å²	68.1	7%	0.066	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	133.4	174.3	0	0	0	0	0	111.4	N646 G690 F691	A644-N646 PolarHBondContact O-N 3.48Å; A644-N646 VanDerWaalsContact O-N 3.12Å; A644-G690 WeakPolarHBondContact CB-O 3.4Å; A644-F691 HydrophobicContact CB-CB 4.49Å; A644-F691 HydrophobicContact CB-CD1 3.63Å; A644-F691 HydrophobicContact CB-CD2 4.07Å; A644-F691 HydrophobicContact CB-CE1 3.75Å; A644-F691 HydrophobicContact CB-CE2 4.17Å; A644-F691 HydrophobicContact CB-CG 3.81Å; A644-F691 HydrophobicContact CB-CZ 4.02Å
645	V	88.5	Confident	84.2	Confident	34 Å²	34	62.1 Å²	62.1	21%	0.206	33%	0.333	C	S	.	.			trans	-80.7	95.4	174.6	-177.8	0	0	0	0	108.5	L659 E661	V645-L659 HydrophobicContact CB-CB 4.29Å; V645-L659 WeakPolarHBondContact CB-O 3.24Å; V645-L659 HydrophobicContact CG2-CB 4.29Å; V645-L659 HydrophobicContact CG2-CD2 4.22Å; V645-L659 HydrophobicContact CG2-CG 4.24Å; V645-L659 PolarHBondContact N-O 3.29Å; V645-E661 HydrophobicContact CG2-CB 4.19Å
646	N	88.2	Confident	84.3	Confident	29 Å²	29	61.5 Å²	61.5	16%	0.155	33%	0.326	C	S	.	.			trans	-99.6	-7.9	-176.6	-75.3	-52.5	0	0	0	114.3	A644 P655 G690 F691 N692	A644-N646 PolarHBondContact O-N 3.48Å; A644-N646 VanDerWaalsContact O-N 3.12Å; N646-P655 WeakPolarHBondContact O-CD 3.37Å; N646-G690 PolarHBondContact ND2-O 3.36Å; N646-F691 WeakPolarHBondContact OD1-CA 3.31Å; N646-N692 WeakPolarHBondContact CB-ND2 3.45Å; N646-N692 PolarHBondContact OD1-N 2.84Å
647	H	80.2	Confident	84.2	Confident	137 Å²	137	61.1 Å²	61.1	63%	0.634	32%	0.324	S	S	*	.			trans	-141	139.7	-175.2	-59.3	-63.4	0	0	0	109.7
648	D	72.1	Confident	84.3	Confident	86 Å²	86	59.2 Å²	59.2	46%	0.46	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-102.1	137.9	169.7	-168.3	-8.4	0	0	0	108.3	D650 S651	D648-D650 PolarHBondContact O-N 3.39Å; D648-D650 PolarHBondContact OD1-N 3.47Å; D648-S651 VanDerWaalsContact O-O 3.14Å
649	A	67.4	Low	84.2	Confident	101 Å²	101	60 Å²	60	84%	0.835	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-31.6	-177.2	0	0	0	0	0	111.7
650	D	68.7	Low	84.2	Confident	158 Å²	158	59.9 Å²	59.9	85%	0.845	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-0.6	-172.5	-63.9	-33.9	0	0	0	113.2	D648	D648-D650 PolarHBondContact O-N 3.39Å; D648-D650 PolarHBondContact OD1-N 3.47Å
651	S	68.2	Low	84.2	Confident	43 Å²	43	62.5 Å²	62.5	30%	0.301	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-140	132.5	-174.6	-176	0	0	0	0	113.2	D648 I653	D648-S651 VanDerWaalsContact O-O 3.14Å; S651-I653 PolarHBondContact O-N 3.1Å; S651-I653 WeakPolarHBondContact OG-CB 3.17Å; S651-I653 PolarHBondContact OG-N 2.8Å; S651-I653 VanDerWaalsContact OG-N 3.09Å
652	H	70.9	Confident	84.2	Confident	205 Å²	205	59.2 Å²	59.2	95%	0.949	33%	0.327	S	S	*	.	S	Bend	trans	-72.7	-9.4	169	-65.4	-57.1	0	0	0	113.1
653	I	73	Confident	84.2	Confident	89 Å²	89	62.5 Å²	62.5	46%	0.456	34%	0.342	S	S	.	.	S	Bend	trans	-83.4	123.7	178.2	-54.2	174.7	0	0	0	107.6	S651	S651-I653 PolarHBondContact O-N 3.1Å; S651-I653 WeakPolarHBondContact OG-CB 3.17Å; S651-I653 PolarHBondContact OG-N 2.8Å; S651-I653 VanDerWaalsContact OG-N 3.09Å
654	S	74.5	Confident	84.2	Confident	31 Å²	31	60.6 Å²	60.6	22%	0.217	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-59.8	128.4	174.8	-59.7	0	0	0	0	110.3	W698	S654-W698 PolarHBondContact O-NE1 2.91Å
655	P	83.1	Confident	83.9	Confident	42 Å²	42	67.2 Å²	67.2	27%	0.273	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-63.8	164.7	178.6	28.3	-35.3	0	0	0	111.3	N646 W698	N646-P655 WeakPolarHBondContact O-CD 3.37Å; P655-W698 PolarHBondContact O-NE1 3.24Å
656	A	88.6	Confident	83.6	Confident	12 Å²	12	68.2 Å²	68.2	10%	0.099	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-60.9	143.3	170.8	0	0	0	0	0	110.1	E658 W695 W698	A656-E658 HydrophobicContact CB-CB 4.48Å; A656-E658 HydrophobicContact CB-CG 4.01Å; A656-E658 PolarHBondContact O-N 2.9Å; A656-W695 HydrophobicContact CB-CZ3 4.16Å; A656-W698 HydrophobicContact CB-CD2 4.03Å; A656-W698 HydrophobicContact CB-CE3 4.22Å; A656-W698 HydrophobicContact CB-CH2 3.86Å; A656-W698 HydrophobicContact CB-CZ2 3.63Å; A656-W698 HydrophobicContact CB-CZ3 4.13Å
657	P	90.3	Very high	83.5	Confident	5 Å²	5	70.8 Å²	70.8	3%	0.032	37%	0.371	C	S	.	.	S	Bend	trans	-76.8	64.6	179.6	32.5	-35	0	0	0	110.8	F686 F691 W695 W698	P657-F686 HydrophobicContact CB-CD1 3.92Å; P657-F686 HydrophobicContact CB-CE1 4.2Å; P657-F686 HydrophobicContact CG-CD1 4.27Å; P657-F686 HydrophobicContact CG-CE1 4.24Å; P657-F686 VanDerWaalsContact O-CE1 3.27Å; P657-F686 WeakPolarHBondContact O-CE1 3.43Å; P657-F691 HydrophobicContact CB-CB 4.08Å; P657-F691 HydrophobicContact CB-CD1 3.5Å; P657-F691 VanDerWaalsContact CB-CD1 3.5Å; P657-F691 HydrophobicContact CB-CE1 4.02Å; P657-F691 HydrophobicContact CB-CG 3.79Å; P657-W695 HydrophobicContact CG-CB 4.46Å; P657-W695 HydrophobicContact CG-CE3 4.16Å; P657-W698 HydrophobicContact CG-CB 4.28Å
658	E	92.6	Very high	83.6	Confident	97 Å²	97	74.2 Å²	74.2	45%	0.453	39%	0.387	S	S	.	.			trans	-126.2	-4.2	-170.1	68.7	-178.3	-174.4	0	0	114.1	A656 A674 V675 P678 W695	A656-E658 HydrophobicContact CB-CB 4.48Å; A656-E658 HydrophobicContact CB-CG 4.01Å; A656-E658 PolarHBondContact O-N 2.9Å; E658-A674 CarbonylContact O-C 3.56Å; E658-A674 VanDerWaalsContact O-CA 3.31Å; E658-A674 WeakPolarHBondContact O-CA 3.46Å; E658-V675 PolarHBondContact O-N 2.93Å; E658-P678 HydrophobicContact CB-CG 4.06Å; E658-W695 HydrophobicContact CB-CZ3 4.48Å
659	L	93	Very high	84.3	Confident	62 Å²	62	73.1 Å²	73.1	33%	0.325	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.3	-172.4	-161.8	70	0	0	0	112	V645 F672 F691	V645-L659 HydrophobicContact CB-CB 4.29Å; V645-L659 WeakPolarHBondContact CB-O 3.24Å; V645-L659 HydrophobicContact CG2-CB 4.29Å; V645-L659 HydrophobicContact CG2-CD2 4.22Å; V645-L659 HydrophobicContact CG2-CG 4.24Å; V645-L659 PolarHBondContact N-O 3.29Å; L659-F672 HydrophobicContact CD1-CB 4.19Å; L659-F672 HydrophobicContact CD2-CD1 3.87Å; L659-F672 HydrophobicContact CD2-CE1 4.48Å; L659-F672 HydrophobicContact CG-CD1 4.16Å; L659-F691 WeakPolarHBondContact O-CE1 3.48Å; L659-F691 WeakPolarHBondContact O-CZ 3.34Å
660	M	95.5	Very high	85.5	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.6	169.8	-67.3	-164.3	76.9	0	0	111.1	M580 L626 V643 F662 F672 A673 L689 F691	M580-M660 HydrophobicContact CE-SD 3.39Å; M580-M660 WeakPolarHBondContact CE-SD 3.24Å; M580-M660 HydrophobicContact SD-SD 3.79Å; L626-M660 HydrophobicContact CB-CE 4Å; L626-M660 HydrophobicContact CD2-CE 4.47Å; L626-M660 HydrophobicContact CD2-SD 4.47Å; V643-M660 WeakPolarHBondContact O-CA 3.34Å; M660-F662 HydrophobicContact CB-CD2 4.32Å; M660-F662 HydrophobicContact CB-CE2 3.81Å; M660-F672 WeakPolarHBondContact O-CA 3.39Å; M660-A673 PolarHBondContact N-O 3.44Å; M660-A673 PolarHBondContact O-N 2.92Å; M660-L689 HydrophobicContact CE-CB 4.37Å; M660-L689 HydrophobicContact CE-CD2 4.42Å; M660-L689 WeakPolarHBondContact CE-O 3.28Å; M660-L689 HydrophobicContact SD-CB 4.12Å; M660-L689 HydrophobicContact SD-CD1 4.16Å; M660-L689 HydrophobicContact SD-CD2 3.94Å; M660-L689 HydrophobicContact SD-CG 4.3Å; M660-F691 HydrophobicContact CG-CE2 4.09Å; M660-F691 HydrophobicContact CG-CZ 3.81Å; M660-F691 HydrophobicContact SD-CE2 4.47Å
661	E	94.3	Very high	86.6	Confident	56 Å²	56	63.4 Å²	63.4	26%	0.262	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118.3	176.6	-172.2	179.1	160.8	0	0	110.2	G642 V643 V645 H663 P670 F672	G642-E661 CarbonylContact C-O 3.56Å; G642-E661 VanDerWaalsContact CA-O 3.24Å; G642-E661 WeakPolarHBondContact CA-O 3.09Å; V643-E661 PolarHBondContact N-O 3.45Å; V643-E661 PolarHBondContact O-N 2.97Å; V645-E661 HydrophobicContact CG2-CB 4.19Å; E661-H663 IonicContact OE1-CE1 3.39Å; E661-H663 PolarHBondContact OE1-CE1 2.78Å; E661-H663 IonicContact OE1-NE2 2.71Å; E661-P670 HydrophobicContact CG-CB 3.55Å; E661-P670 HydrophobicContact CG-CG 4.31Å; E661-P670 VanDerWaalsContact OE1-CB 3.24Å; E661-P670 WeakPolarHBondContact OE1-CB 3.39Å; E661-P670 WeakPolarHBondContact OE1-CG 3.45Å; E661-F672 HydrophobicContact CB-CD1 4.12Å; E661-F672 HydrophobicContact CB-CE1 3.8Å; E661-F672 HydrophobicContact CG-CD1 4.22Å; E661-F672 HydrophobicContact CG-CE1 3.65Å; E661-F672 HydrophobicContact CG-CZ 3.99Å
662	F	96.7	Very high	87.8	Confident	1 Å²	1	65.8 Å²	65.8	0%	0.004	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.3	179.6	-74.7	-98.2	0	0	0	112.6	M580 L592 L594 L626 I628 Y641 M660 L664 P670 L671 A673	M580-F662 HydrophobicContact SD-CE2 3.67Å; M580-F662 HydrophobicContact SD-CZ 3.59Å; M580-F662 VanDerWaalsContact SD-CZ 3.59Å; L592-F662 HydrophobicContact CD2-CD2 3.94Å; L592-F662 HydrophobicContact CD2-CE1 4.19Å; L592-F662 HydrophobicContact CD2-CE2 3.57Å; L592-F662 HydrophobicContact CD2-CG 4.38Å; L592-F662 HydrophobicContact CD2-CZ 3.7Å; L594-F662 HydrophobicContact CD1-CZ 4.19Å; L626-F662 HydrophobicContact CD2-CE1 4.14Å; L626-F662 HydrophobicContact CD2-CZ 3.87Å; I628-F662 HydrophobicContact CD1-CE1 4.41Å; I628-F662 HydrophobicContact CG2-CD1 4.18Å; I628-F662 HydrophobicContact CG2-CE1 4.4Å; Y641-F662 CarbonylContact O-C 3.56Å; Y641-F662 WeakPolarHBondContact O-CA 3.35Å; M660-F662 HydrophobicContact CB-CD2 4.32Å; M660-F662 HydrophobicContact CB-CE2 3.81Å; F662-L664 HydrophobicContact CB-CD2 4.27Å; F662-L664 HydrophobicContact CB-CG 4.32Å; F662-P670 WeakPolarHBondContact O-CA 3.29Å; F662-L671 HydrophobicContact CB-CB 4.19Å; F662-L671 WeakPolarHBondContact CB-O 3.34Å; F662-L671 PolarHBondContact N-O 3.22Å; F662-L671 PolarHBondContact O-N 2.85Å; F662-A673 HydrophobicContact CD2-CB 4.05Å; F662-A673 HydrophobicContact CE2-CB 3.81Å
663	H	95.8	Very high	88.9	Confident	69 Å²	69	56 Å²	56	32%	0.319	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	98.1	171.9	-57.3	-80.3	0	0	0	109.6	G640 Y641 E661	G640-H663 WeakPolarHBondContact CA-O 3.4Å; Y641-H663 HydrophobicContact CD1-CB 4.29Å; Y641-H663 HydrophobicContact CE1-CB 3.83Å; Y641-H663 HydrophobicContact CE2-CB 4.39Å; Y641-H663 AromaticContact CE2-CD2 3.55Å; Y641-H663 AromaticContact CZ-CD2 3.71Å; Y641-H663 AromaticContact CZ-CG 3.98Å; Y641-H663 PolarHBondContact N-O 3.13Å; Y641-H663 PolarHBondContact O-N 2.82Å; E661-H663 IonicContact OE1-CE1 3.39Å; E661-H663 PolarHBondContact OE1-CE1 2.78Å; E661-H663 IonicContact OE1-NE2 2.71Å
664	L	94.5	Very high	89.9	Confident	7 Å²	7	54 Å²	54	4%	0.037	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.2	-176.6	-57.3	179.7	0	0	0	110.9	V606 L608 I628 A639 F662 T666 R667 L671	V606-L664 HydrophobicContact CG2-CD1 4Å; L608-L664 HydrophobicContact CD2-CB 4.27Å; L608-L664 HydrophobicContact CD2-CD1 4.16Å; I628-L664 HydrophobicContact CG2-CD2 3.86Å; A639-L664 CarbonylContact O-C 3.51Å; A639-L664 WeakPolarHBondContact O-CA 3.46Å; F662-L664 HydrophobicContact CB-CD2 4.27Å; F662-L664 HydrophobicContact CB-CG 4.32Å; L664-T666 PolarHBondContact O-N 3.46Å; L664-R667 HydrophobicContact CB-CB 4.19Å; L664-R667 PolarHBondContact O-N 2.95Å; L664-R667 VanDerWaalsContact O-O 3.12Å; L664-L671 HydrophobicContact CD1-CB 4.35Å; L664-L671 HydrophobicContact CD1-CD2 3.86Å
665	K	87	Confident	90.8	Very high	148 Å²	148	52.9 Å²	52.9	64%	0.643	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-24.6	-175.7	-88.3	-170.7	169.8	169.3	0	115.3	Y638 A639	Y638-K665 HydrophobicContact CD1-CD 3.79Å; Y638-K665 HydrophobicContact CD1-CG 4.21Å; Y638-K665 HydrophobicContact CE1-CD 4.2Å; Y638-K665 HydrophobicContact CE1-CG 4.17Å; A639-K665 PolarHBondContact O-N 3.49Å
666	T	81.6	Confident	91.1	Very high	54 Å²	54	52.5 Å²	52.5	33%	0.331	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	16.5	-174.2	66.6	0	0	0	0	112.8	L608 N609 L664	L608-T666 HydrophobicContact CB-CG2 4.47Å; N609-T666 PolarHBondContact N-OG1 3.25Å; N609-T666 WeakPolarHBondContact ND2-CG2 3.39Å; N609-T666 VanDerWaalsContact OD1-CB 3.29Å; N609-T666 WeakPolarHBondContact OD1-CB 3.38Å; N609-T666 PolarHBondContact OD1-O 3.1Å; L664-T666 PolarHBondContact O-N 3.46Å
667	R	85.6	Confident	91.1	Very high	84 Å²	84	54.8 Å²	54.8	32%	0.317	28%	0.284	S	S	.	.			trans	-140.7	122.6	-171.5	-142.5	-179.8	169.4	124.5	1.8	108.5	L664 A669	L664-R667 HydrophobicContact CB-CB 4.19Å; L664-R667 PolarHBondContact O-N 2.95Å; L664-R667 VanDerWaalsContact O-O 3.12Å; R667-A669 WeakPolarHBondContact CG-O 3.22Å
668	E	83	Confident	91.1	Very high	209 Å²	209	55.1 Å²	55.1	98%	0.977	29%	0.285	S	S	*	.	S	Bend	trans	-72.7	-45.1	177.1	-70.5	-174.7	166.5	0	0	111.3
669	A	87	Confident	91	Very high	63 Å²	63	54.8 Å²	54.8	52%	0.521	28%	0.284	S	S	.	.	S	Bend	trans	-82	140.3	175.6	0	0	0	0	0	111.2	R667	R667-A669 WeakPolarHBondContact CG-O 3.22Å
670	P	91.1	Very high	90.7	Very high	47 Å²	47	58.7 Å²	58.7	31%	0.305	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-62.5	149.8	175.5	26.2	-33.1	0	0	0	111.5	E661 F662 F672	E661-P670 HydrophobicContact CG-CB 3.55Å; E661-P670 HydrophobicContact CG-CG 4.31Å; E661-P670 VanDerWaalsContact OE1-CB 3.24Å; E661-P670 WeakPolarHBondContact OE1-CB 3.39Å; E661-P670 WeakPolarHBondContact OE1-CG 3.45Å; F662-P670 WeakPolarHBondContact O-CA 3.29Å; P670-F672 HydrophobicContact CG-CE2 4.06Å; P670-F672 HydrophobicContact CG-CZ 4.21Å
671	L	92.8	Very high	90.2	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.037	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	116.3	175	178.4	70.3	0	0	0	109.5	S582 Q591 L592 F662 L664	S582-L671 VanDerWaalsContact OG-CD1 3.26Å; S582-L671 WeakPolarHBondContact OG-CD1 3.1Å; Q591-L671 HydrophobicContact CB-CD1 3.69Å; Q591-L671 HydrophobicContact CB-CD2 3.92Å; Q591-L671 HydrophobicContact CB-CG 4.45Å; Q591-L671 HydrophobicContact CG-CD1 4.07Å; L592-L671 HydrophobicContact CB-CD2 3.96Å; F662-L671 HydrophobicContact CB-CB 4.19Å; F662-L671 WeakPolarHBondContact CB-O 3.34Å; F662-L671 PolarHBondContact N-O 3.22Å; F662-L671 PolarHBondContact O-N 2.85Å; L664-L671 HydrophobicContact CD1-CB 4.35Å; L664-L671 HydrophobicContact CD1-CD2 3.86Å
672	F	93.4	Very high	89.6	Confident	93 Å²	93	58.7 Å²	58.7	41%	0.408	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.5	174.5	-65.9	-80	0	0	0	111.3	S582 L659 M660 E661 P670	S582-F672 WeakPolarHBondContact CB-O 3.22Å; S582-F672 PolarHBondContact OG-O 2.93Å; L659-F672 HydrophobicContact CD1-CB 4.19Å; L659-F672 HydrophobicContact CD2-CD1 3.87Å; L659-F672 HydrophobicContact CD2-CE1 4.48Å; L659-F672 HydrophobicContact CG-CD1 4.16Å; M660-F672 WeakPolarHBondContact O-CA 3.39Å; E661-F672 HydrophobicContact CB-CD1 4.12Å; E661-F672 HydrophobicContact CB-CE1 3.8Å; E661-F672 HydrophobicContact CG-CD1 4.22Å; E661-F672 HydrophobicContact CG-CE1 3.65Å; E661-F672 HydrophobicContact CG-CZ 3.99Å; P670-F672 HydrophobicContact CG-CE2 4.06Å; P670-F672 HydrophobicContact CG-CZ 4.21Å
673	A	94.5	Very high	88.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130	176	0	0	0	0	0	110.2	M580 S581 L592 M660 F662	M580-A673 HydrophobicContact CB-CB 4.48Å; M580-A673 HydrophobicContact CG-CB 4.45Å; M580-A673 HydrophobicContact SD-CB 4.4Å; S581-A673 CarbonylContact O-C 3.59Å; S581-A673 WeakPolarHBondContact O-CA 3.5Å; L592-A673 HydrophobicContact CD2-CB 3.77Å; M660-A673 PolarHBondContact N-O 3.44Å; M660-A673 PolarHBondContact O-N 2.92Å; F662-A673 HydrophobicContact CD2-CB 4.05Å; F662-A673 HydrophobicContact CE2-CB 3.81Å
674	A	93.5	Very high	87.9	Confident	46 Å²	46	60.8 Å²	60.8	38%	0.38	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136	178.2	0	0	0	0	0	110	M580 S581 E658 N676	M580-A674 CarbonylContact C-O 3.44Å; M580-A674 WeakPolarHBondContact CA-O 3.31Å; M580-A674 VanDerWaalsContact CB-O 3.24Å; M580-A674 WeakPolarHBondContact CB-O 3.41Å; S581-A674 PolarHBondContact N-O 2.77Å; S581-A674 PolarHBondContact O-N 3.2Å; E658-A674 CarbonylContact O-C 3.56Å; E658-A674 VanDerWaalsContact O-CA 3.31Å; E658-A674 WeakPolarHBondContact O-CA 3.46Å; A674-N676 PolarHBondContact O-N 2.84Å
675	V	92.9	Very high	87.2	Confident	8 Å²	8	60.7 Å²	60.7	5%	0.048	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	124.8	167.6	-179.4	0	0	0	0	107.7	V579 E658 P678 Q681 F686 F691	V579-V675 CarbonylContact O-C 3.48Å; V579-V675 WeakPolarHBondContact O-CA 3.3Å; E658-V675 PolarHBondContact O-N 2.93Å; V675-P678 HydrophobicContact CB-CG 4.2Å; V675-P678 HydrophobicContact CG1-CB 4.32Å; V675-P678 HydrophobicContact CG1-CG 4.15Å; V675-Q681 HydrophobicContact CG1-CG 3.92Å; V675-F686 HydrophobicContact CG1-CE1 4.32Å; V675-F691 HydrophobicContact CG2-CE2 4.06Å; V675-F691 HydrophobicContact CG2-CZ 3.97Å
676	N	89.9	Confident	87.1	Confident	34 Å²	34	53.7 Å²	53.7	18%	0.182	28%	0.283	C	S	.	.	S	Bend	trans	-81.4	129	-175.5	-66.7	-50.1	0	0	0	110	P578 V579 M580 S581 A674 Q681	P578-N676 HydrophobicContact CB-CB 4.36Å; P578-N676 HydrophobicContact CG-CB 4.27Å; V579-N676 PolarHBondContact O-N 2.94Å; M580-N676 VanDerWaalsContact C-ND2 3.28Å; M580-N676 WeakPolarHBondContact CA-ND2 3.5Å; M580-N676 PolarHBondContact N-ND2 2.86Å; S581-N676 PolarHBondContact N-ND2 3.11Å; S581-N676 PolarHBondContact OG-OD1 3.43Å; S581-N676 VanDerWaalsContact OG-OD1 3.13Å; A674-N676 PolarHBondContact O-N 2.84Å; N676-Q681 PolarHBondContact O-NE2 2.87Å
677	T	88.4	Confident	87.2	Confident	61 Å²	61	55.7 Å²	55.7	37%	0.374	28%	0.284	S	S	.	.	S	Bend	trans	40.8	63	-178.8	54.8	0	0	0	0	112.1	E679 K680	T677-E679 WeakPolarHBondContact CA-OE2 3.26Å; T677-E679 PolarHBondContact O-N 2.79Å; T677-E679 VanDerWaalsContact O-N 3.07Å; T677-K680 PolarHBondContact O-N 2.8Å
678	P	89.4	Confident	86.9	Confident	11 Å²	11	52 Å²	52	7%	0.071	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-51.5	-34	-174	-27.1	36.2	0	0	0	113.3	E658 V675 K680 Q681 F686 W695	E658-P678 HydrophobicContact CB-CG 4.06Å; V675-P678 HydrophobicContact CB-CG 4.2Å; V675-P678 HydrophobicContact CG1-CB 4.32Å; V675-P678 HydrophobicContact CG1-CG 4.15Å; P678-K680 PolarHBondContact O-N 2.88Å; P678-K680 VanDerWaalsContact O-N 3.1Å; P678-Q681 WeakPolarHBondContact O-CB 3.38Å; P678-Q681 PolarHBondContact O-N 2.76Å; P678-F686 HydrophobicContact CB-CE1 4.31Å; P678-F686 HydrophobicContact CB-CZ 4.05Å; P678-F686 VanDerWaalsContact O-CZ 3.31Å; P678-F686 WeakPolarHBondContact O-CZ 3.5Å; P678-W695 HydrophobicContact CB-CD2 3.65Å; P678-W695 HydrophobicContact CB-CE3 3.23Å; P678-W695 HydrophobicContact CB-CG 4.23Å; P678-W695 HydrophobicContact CB-CH2 4.21Å; P678-W695 HydrophobicContact CB-CZ3 3.55Å; P678-W695 HydrophobicContact CG-CE3 4.02Å; P678-W695 HydrophobicContact CG-CH2 4.34Å; P678-W695 HydrophobicContact CG-CZ3 3.8Å
679	E	90.3	Very high	87.1	Confident	90 Å²	90	42.1 Å²	42.1	42%	0.421	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-64.1	-13.2	177.4	75.7	-71.2	172.1	0	0	115	T677 W695	T677-E679 WeakPolarHBondContact CA-OE2 3.26Å; T677-E679 PolarHBondContact O-N 2.79Å; T677-E679 VanDerWaalsContact O-N 3.07Å; E679-W695 VanDerWaalsContact CA-CD1 3.48Å; E679-W695 HydrophobicContact CB-CZ2 4.44Å; E679-W695 VanDerWaalsContact CB-NE1 3.32Å
680	K	87.9	Confident	87	Confident	144 Å²	144	40 Å²	40	63%	0.626	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-107	-4.6	176.7	-59.3	-175	-177.5	176.2	0	112.8	T677 P678	T677-K680 PolarHBondContact O-N 2.8Å; P678-K680 PolarHBondContact O-N 2.88Å; P678-K680 VanDerWaalsContact O-N 3.1Å
681	Q	83.9	Confident	86.8	Confident	11 Å²	11	37.9 Å²	37.9	5%	0.051	20%	0.195	C	C	.	.	S	Bend	trans	-82.1	143.1	178.6	-60.9	-62	-28	0	0	109.7	P578 V675 N676 P678 L685 F686	P578-Q681 PolarHBondContact O-NE2 3.48Å; V675-Q681 HydrophobicContact CG1-CG 3.92Å; N676-Q681 PolarHBondContact O-NE2 2.87Å; P678-Q681 WeakPolarHBondContact O-CB 3.38Å; P678-Q681 PolarHBondContact O-N 2.76Å; Q681-L685 HydrophobicContact CB-CD2 4.09Å; Q681-L685 HydrophobicContact CG-CD2 4.31Å; Q681-F686 HydrophobicContact CB-CE2 3.69Å; Q681-F686 HydrophobicContact CB-CZ 3.71Å; Q681-F686 HydrophobicContact CG-CZ 4.4Å
682	P	82	Confident	86.4	Confident	46 Å²	46	41.8 Å²	41.8	30%	0.299	22%	0.216	S	C	.	.			trans	-72.1	147	179.5	30.3	-36.3	0	0	0	111.3	H684 L685	P682-H684 VanDerWaalsContact C-N 3.28Å; P682-H684 WeakPolarHBondContact CG-CE1 3.42Å; P682-H684 PolarHBondContact O-N 3.02Å; P682-L685 HydrophobicContact CG-CB 3.94Å; P682-L685 WeakPolarHBondContact O-CB 3.37Å; P682-L685 PolarHBondContact O-N 2.86Å
683	D	80.2	Confident	86	Confident	54 Å²	54	40.1 Å²	40.1	29%	0.289	21%	0.207	S	C	.	.	H	α-helix	trans	-53.8	-40.6	-177.3	-86.2	-14.5	0	0	0	113.8	L685 F686 T694	D683-L685 PolarHBondContact O-N 3.4Å; D683-F686 PolarHBondContact O-N 2.95Å; D683-T694 HydrophobicContact CB-CG2 3.79Å; D683-T694 WeakPolarHBondContact OD1-CB 3.42Å; D683-T694 PolarHBondContact OD1-OG1 2.94Å
684	H	76.2	Confident	85.6	Confident	60 Å²	60	40.3 Å²	40.3	28%	0.278	21%	0.208	S	C	.	.	H	α-helix	trans	-62.9	-29.7	-179.2	75	-90.5	0	0	0	112.9	N454 P682 R687 S688	N454-H684 HydrophobicContact CB-CB 4.23Å; P682-H684 VanDerWaalsContact C-N 3.28Å; P682-H684 WeakPolarHBondContact CG-CE1 3.42Å; P682-H684 PolarHBondContact O-N 3.02Å; H684-R687 WeakPolarHBondContact O-CB 3.41Å; H684-R687 PolarHBondContact O-N 3.45Å; H684-S688 PolarHBondContact O-N 3.41Å
685	L	81.6	Confident	85.3	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-65.9	-41	179.4	174	63.7	0	0	0	110.9	V579 M596 Q681 P682 D683 R687 S688 L689	V579-L685 HydrophobicContact CG1-CD1 4.26Å; V579-L685 HydrophobicContact CG1-CD2 3.84Å; V579-L685 HydrophobicContact CG1-CG 4.49Å; V579-L685 HydrophobicContact CG2-CD2 4.01Å; M596-L685 HydrophobicContact SD-CD1 3.89Å; M596-L685 HydrophobicContact SD-CD2 4.14Å; Q681-L685 HydrophobicContact CB-CD2 4.09Å; Q681-L685 HydrophobicContact CG-CD2 4.31Å; P682-L685 HydrophobicContact CG-CB 3.94Å; P682-L685 WeakPolarHBondContact O-CB 3.37Å; P682-L685 PolarHBondContact O-N 2.86Å; D683-L685 PolarHBondContact O-N 3.4Å; L685-R687 PolarHBondContact O-N 2.89Å; L685-S688 PolarHBondContact O-N 3.45Å; L685-S688 PolarHBondContact O-OG 2.89Å; L685-L689 HydrophobicContact CD1-CD1 3.87Å; L685-L689 HydrophobicContact CD1-CD2 4.4Å; L685-L689 HydrophobicContact CD1-CG 3.89Å; L685-L689 HydrophobicContact CG-CD1 3.91Å; L685-L689 HydrophobicContact CG-CG 4.31Å; L685-L689 WeakPolarHBondContact O-CB 3.26Å; L685-L689 WeakPolarHBondContact O-CG 3.5Å; L685-L689 PolarHBondContact O-N 3.06Å
686	F	84	Confident	84.9	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.009	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-40	176.4	-67	-78.3	0	0	0	111.5	P657 V675 P678 Q681 D683 L689 G690 F691 T694 W695	P657-F686 HydrophobicContact CB-CD1 3.92Å; P657-F686 HydrophobicContact CB-CE1 4.2Å; P657-F686 HydrophobicContact CG-CD1 4.27Å; P657-F686 HydrophobicContact CG-CE1 4.24Å; P657-F686 VanDerWaalsContact O-CE1 3.27Å; P657-F686 WeakPolarHBondContact O-CE1 3.43Å; V675-F686 HydrophobicContact CG1-CE1 4.32Å; P678-F686 HydrophobicContact CB-CE1 4.31Å; P678-F686 HydrophobicContact CB-CZ 4.05Å; P678-F686 VanDerWaalsContact O-CZ 3.31Å; P678-F686 WeakPolarHBondContact O-CZ 3.5Å; Q681-F686 HydrophobicContact CB-CE2 3.69Å; Q681-F686 HydrophobicContact CB-CZ 3.71Å; Q681-F686 HydrophobicContact CG-CZ 4.4Å; D683-F686 PolarHBondContact O-N 2.95Å; F686-L689 PolarHBondContact O-N 2.77Å; F686-G690 PolarHBondContact O-N 3.03Å; F686-F691 HydrophobicContact CB-CB 4.18Å; F686-F691 HydrophobicContact CB-CD2 4.35Å; F686-F691 AromaticContact CD1-CD2 3.96Å; F686-F691 HydrophobicContact CD1-CD2 3.96Å; F686-F691 HydrophobicContact CD1-CE2 4.42Å; F686-F691 HydrophobicContact CD1-CG 4.37Å; F686-F691 WeakPolarHBondContact O-CB 3.25Å; F686-F691 PolarHBondContact O-N 2.86Å; F686-T694 HydrophobicContact CB-CG2 4.39Å; F686-W695 HydrophobicContact CE1-CB 4.36Å; F686-W695 HydrophobicContact CE2-CB 3.9Å; F686-W695 HydrophobicContact CZ-CB 3.68Å
687	R	83	Confident	84.9	Confident	95 Å²	95	44 Å²	44	36%	0.358	22%	0.217	S	C	.	.	H	α-helix	trans	-67	-42.5	177.2	-58.2	-56.4	-172	-171.8	2.2	112.4	N623 H684 L685 L689 G690 F691 N692 E697	N623-R687 WeakPolarHBondContact CB-O 3.21Å; H684-R687 WeakPolarHBondContact O-CB 3.41Å; H684-R687 PolarHBondContact O-N 3.45Å; L685-R687 PolarHBondContact O-N 2.89Å; R687-L689 VanDerWaalsContact C-N 3.28Å; R687-L689 PolarHBondContact O-N 3.25Å; R687-G690 PolarHBondContact O-N 3.48Å; R687-F691 PolarHBondContact NH1-O 2.67Å; R687-N692 PolarHBondContact NH1-O 3.05Å; R687-E697 IonicContact CZ-OE1 3.97Å; R687-E697 IonicContact CZ-OE2 3.71Å; R687-E697 IonicContact NH1-OE2 3.16Å; R687-E697 IonicContact NH2-OE1 3.65Å; R687-E697 PolarHBondContact NH2-OE1 3.2Å; R687-E697 IonicContact NH2-OE2 2.86Å; R687-E697 PolarHBondContact NH2-OE2 3.17Å
688	S	80	Confident	84.9	Confident	7 Å²	7	43.2 Å²	43.2	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-69.7	-27.6	178.9	70.5	0	0	0	0	112.7	P619 H684 L685 G690	P619-S688 WeakPolarHBondContact CB-O 3.41Å; H684-S688 PolarHBondContact O-N 3.41Å; L685-S688 PolarHBondContact O-N 3.45Å; L685-S688 PolarHBondContact O-OG 2.89Å; S688-G690 VanDerWaalsContact C-N 3.27Å; S688-G690 PolarHBondContact O-N 3.26Å
689	L	87.2	Confident	84.8	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-5.4	173.5	-66.7	180	0	0	0	114.1	V579 M580 L602 L626 M660 L685 F686 R687 F691	V579-L689 HydrophobicContact CG1-CD1 4.22Å; M580-L689 HydrophobicContact CE-CD1 3.68Å; M580-L689 HydrophobicContact CE-CD2 3.74Å; M580-L689 HydrophobicContact CE-CG 4.37Å; L602-L689 HydrophobicContact CD1-CD2 4.05Å; L626-L689 HydrophobicContact CD1-CD2 4.18Å; L626-L689 HydrophobicContact CD2-CD2 3.87Å; L626-L689 HydrophobicContact CG-CD2 4.43Å; M660-L689 HydrophobicContact CE-CB 4.37Å; M660-L689 HydrophobicContact CE-CD2 4.42Å; M660-L689 WeakPolarHBondContact CE-O 3.28Å; M660-L689 HydrophobicContact SD-CB 4.12Å; M660-L689 HydrophobicContact SD-CD1 4.16Å; M660-L689 HydrophobicContact SD-CD2 3.94Å; M660-L689 HydrophobicContact SD-CG 4.3Å; L685-L689 HydrophobicContact CD1-CD1 3.87Å; L685-L689 HydrophobicContact CD1-CD2 4.4Å; L685-L689 HydrophobicContact CD1-CG 3.89Å; L685-L689 HydrophobicContact CG-CD1 3.91Å; L685-L689 HydrophobicContact CG-CG 4.31Å; L685-L689 WeakPolarHBondContact O-CB 3.26Å; L685-L689 WeakPolarHBondContact O-CG 3.5Å; L685-L689 PolarHBondContact O-N 3.06Å; F686-L689 PolarHBondContact O-N 2.77Å; R687-L689 VanDerWaalsContact C-N 3.28Å; R687-L689 PolarHBondContact O-N 3.25Å; L689-F691 HydrophobicContact CB-CD2 3.82Å; L689-F691 HydrophobicContact CB-CE2 3.89Å; L689-F691 HydrophobicContact CD1-CE2 4.12Å
690	G	85.7	Confident	84.7	Confident	17 Å²	17	52 Å²	52	18%	0.175	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	15	178.5	0	0	0	0	0	114.8	N623 A644 N646 F686 R687 S688	N623-G690 WeakPolarHBondContact O-CA 3.44Å; N623-G690 PolarHBondContact O-N 2.85Å; A644-G690 WeakPolarHBondContact CB-O 3.4Å; N646-G690 PolarHBondContact ND2-O 3.36Å; F686-G690 PolarHBondContact O-N 3.03Å; R687-G690 PolarHBondContact O-N 3.48Å; S688-G690 VanDerWaalsContact C-N 3.27Å; S688-G690 PolarHBondContact O-N 3.26Å
691	F	86.5	Confident	84.5	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.018	22%	0.221	C	C	.	.			trans	-72.7	134.1	172.7	-68.2	-81.2	0	0	0	111.1	A644 N646 P657 L659 M660 V675 F686 R687 L689 R693	A644-F691 HydrophobicContact CB-CB 4.49Å; A644-F691 HydrophobicContact CB-CD1 3.63Å; A644-F691 HydrophobicContact CB-CD2 4.07Å; A644-F691 HydrophobicContact CB-CE1 3.75Å; A644-F691 HydrophobicContact CB-CE2 4.17Å; A644-F691 HydrophobicContact CB-CG 3.81Å; A644-F691 HydrophobicContact CB-CZ 4.02Å; N646-F691 WeakPolarHBondContact OD1-CA 3.31Å; P657-F691 HydrophobicContact CB-CB 4.08Å; P657-F691 HydrophobicContact CB-CD1 3.5Å; P657-F691 VanDerWaalsContact CB-CD1 3.5Å; P657-F691 HydrophobicContact CB-CE1 4.02Å; P657-F691 HydrophobicContact CB-CG 3.79Å; L659-F691 WeakPolarHBondContact O-CE1 3.48Å; L659-F691 WeakPolarHBondContact O-CZ 3.34Å; M660-F691 HydrophobicContact CG-CE2 4.09Å; M660-F691 HydrophobicContact CG-CZ 3.81Å; M660-F691 HydrophobicContact SD-CE2 4.47Å; V675-F691 HydrophobicContact CG2-CE2 4.06Å; V675-F691 HydrophobicContact CG2-CZ 3.97Å; F686-F691 HydrophobicContact CB-CB 4.18Å; F686-F691 HydrophobicContact CB-CD2 4.35Å; F686-F691 AromaticContact CD1-CD2 3.96Å; F686-F691 HydrophobicContact CD1-CD2 3.96Å; F686-F691 HydrophobicContact CD1-CE2 4.42Å; F686-F691 HydrophobicContact CD1-CG 4.37Å; F686-F691 WeakPolarHBondContact O-CB 3.25Å; F686-F691 PolarHBondContact O-N 2.86Å; R687-F691 PolarHBondContact NH1-O 2.67Å; L689-F691 HydrophobicContact CB-CD2 3.82Å; L689-F691 HydrophobicContact CB-CE2 3.89Å; L689-F691 HydrophobicContact CD1-CE2 4.12Å; F691-R693 WeakPolarHBondContact CB-O 3.48Å; F691-R693 PolarHBondContact O-N 2.95Å; F691-R693 VanDerWaalsContact O-N 3.15Å
692	N	85	Confident	84.4	Confident	89 Å²	89	50.8 Å²	50.8	48%	0.476	23%	0.232	S	C	.	.	S	Bend	trans	-66.9	-14.4	177.6	-74.4	-17.2	0	0	0	112.7	N646 R687	N646-N692 WeakPolarHBondContact CB-ND2 3.45Å; N646-N692 PolarHBondContact OD1-N 2.84Å; R687-N692 PolarHBondContact NH1-O 3.05Å
693	R	83	Confident	84.4	Confident	58 Å²	58	52.3 Å²	52.3	22%	0.219	24%	0.237	C	C	.	.	S	Bend	trans	-146.2	150.8	-178.1	-62.1	175.2	-177.6	-169.9	-19.5	110.7	F691 E697 W698 E701	F691-R693 WeakPolarHBondContact CB-O 3.48Å; F691-R693 PolarHBondContact O-N 2.95Å; F691-R693 VanDerWaalsContact O-N 3.15Å; R693-E697 VanDerWaalsContact CA-OE2 3.31Å; R693-E697 WeakPolarHBondContact CA-OE2 3.35Å; R693-E697 HydrophobicContact CB-CB 4.36Å; R693-W698 HydrophobicContact CB-CB 4.49Å; R693-E701 VanDerWaalsContact CZ-CD 3.45Å; R693-E701 IonicContact CZ-OE1 3.9Å; R693-E701 VanDerWaalsContact CZ-OE1 3.22Å; R693-E701 IonicContact CZ-OE2 2.64Å; R693-E701 IonicContact NE-OE1 3.13Å; R693-E701 VanDerWaalsContact NH1-CD 3.34Å; R693-E701 IonicContact NH1-OE1 2.7Å; R693-E701 IonicContact NH1-OE2 3.61Å; R693-E701 PolarHBondContact NH1-OE2 3.41Å; R693-E701 VanDerWaalsContact NH2-CD 3.34Å; R693-E701 IonicContact NH2-OE1 2.99Å; R693-E701 PolarHBondContact NH2-OE1 2.8Å; R693-E701 IonicContact NH2-OE2 2.73Å; R693-E701 PolarHBondContact NH2-OE2 3.13Å
694	T	87.2	Confident	84.5	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.018	25%	0.246	C	C	.	.			trans	-80.7	165.9	166.1	81.9	0	0	0	0	110.3	D683 F686 D696 E697 W698	D683-T694 HydrophobicContact CB-CG2 3.79Å; D683-T694 WeakPolarHBondContact OD1-CB 3.42Å; D683-T694 PolarHBondContact OD1-OG1 2.94Å; F686-T694 HydrophobicContact CB-CG2 4.39Å; T694-D696 VanDerWaalsContact C-N 3.31Å; T694-D696 PolarHBondContact O-N 2.8Å; T694-E697 PolarHBondContact N-OE2 3.21Å; T694-E697 PolarHBondContact O-N 2.8Å; T694-E697 PolarHBondContact OG1-N 2.89Å; T694-W698 PolarHBondContact O-N 3.25Å
695	W	86.2	Confident	84.5	Confident	31 Å²	31	52.8 Å²	52.8	12%	0.117	25%	0.245	C	C	.	.	H	α-helix	trans	-56.7	-45.5	176.5	-179.2	-95.5	0	0	0	112.3	A656 P657 E658 P678 E679 F686 E697 W698 R699	A656-W695 HydrophobicContact CB-CZ3 4.16Å; P657-W695 HydrophobicContact CG-CB 4.46Å; P657-W695 HydrophobicContact CG-CE3 4.16Å; E658-W695 HydrophobicContact CB-CZ3 4.48Å; P678-W695 HydrophobicContact CB-CD2 3.65Å; P678-W695 HydrophobicContact CB-CE3 3.23Å; P678-W695 HydrophobicContact CB-CG 4.23Å; P678-W695 HydrophobicContact CB-CH2 4.21Å; P678-W695 HydrophobicContact CB-CZ3 3.55Å; P678-W695 HydrophobicContact CG-CE3 4.02Å; P678-W695 HydrophobicContact CG-CH2 4.34Å; P678-W695 HydrophobicContact CG-CZ3 3.8Å; E679-W695 VanDerWaalsContact CA-CD1 3.48Å; E679-W695 HydrophobicContact CB-CZ2 4.44Å; E679-W695 VanDerWaalsContact CB-NE1 3.32Å; F686-W695 HydrophobicContact CE1-CB 4.36Å; F686-W695 HydrophobicContact CE2-CB 3.9Å; F686-W695 HydrophobicContact CZ-CB 3.68Å; W695-E697 PolarHBondContact O-N 2.84Å; W695-W698 HydrophobicContact CE3-CE3 4.45Å; W695-W698 HydrophobicContact CH2-CZ3 4.26Å; W695-W698 HydrophobicContact CZ2-CZ3 4.46Å; W695-W698 HydrophobicContact CZ3-CZ3 4.38Å; W695-W698 PolarHBondContact O-N 2.98Å; W695-R699 WeakPolarHBondContact O-CB 3.45Å; W695-R699 PolarHBondContact O-N 3.37Å
696	D	86	Confident	84	Confident	73 Å²	73	55.2 Å²	55.2	39%	0.39	26%	0.26	S	S	.	.	H	α-helix	trans	-68.6	-32.9	-178.3	-79.6	-9	0	0	0	113.2	T694 R700	T694-D696 VanDerWaalsContact C-N 3.31Å; T694-D696 PolarHBondContact O-N 2.8Å; D696-R700 WeakPolarHBondContact O-CB 3.31Å; D696-R700 WeakPolarHBondContact O-CG 3.33Å; D696-R700 PolarHBondContact O-N 2.9Å; D696-R700 VanDerWaalsContact O-N 3.17Å; D696-R700 PolarHBondContact O-NE 3.24Å
697	E	88.3	Confident	83.2	Confident	62 Å²	62	60.8 Å²	60.8	29%	0.29	29%	0.286	S	S	.	.	H	α-helix	trans	-67.1	-48.6	172.3	-71.3	173.5	172.6	0	0	111.2	R687 R693 T694 W695 R699 R700 E701	R687-E697 IonicContact CZ-OE1 3.97Å; R687-E697 IonicContact CZ-OE2 3.71Å; R687-E697 IonicContact NH1-OE2 3.16Å; R687-E697 IonicContact NH2-OE1 3.65Å; R687-E697 PolarHBondContact NH2-OE1 3.2Å; R687-E697 IonicContact NH2-OE2 2.86Å; R687-E697 PolarHBondContact NH2-OE2 3.17Å; R693-E697 VanDerWaalsContact CA-OE2 3.31Å; R693-E697 WeakPolarHBondContact CA-OE2 3.35Å; R693-E697 HydrophobicContact CB-CB 4.36Å; T694-E697 PolarHBondContact N-OE2 3.21Å; T694-E697 PolarHBondContact O-N 2.8Å; T694-E697 PolarHBondContact OG1-N 2.89Å; W695-E697 PolarHBondContact O-N 2.84Å; E697-R699 VanDerWaalsContact C-N 3.35Å; E697-R699 PolarHBondContact O-N 3Å; E697-R700 PolarHBondContact O-N 3.01Å; E697-E701 PolarHBondContact O-N 3.5Å
698	W	88.9	Confident	82	Confident	44 Å²	44	60.7 Å²	60.7	17%	0.167	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-45.4	178.3	173.8	88.3	0	0	0	111.4	S654 P655 A656 P657 R693 T694 W695 R700 E701 E702	S654-W698 PolarHBondContact O-NE1 2.91Å; P655-W698 PolarHBondContact O-NE1 3.24Å; A656-W698 HydrophobicContact CB-CD2 4.03Å; A656-W698 HydrophobicContact CB-CE3 4.22Å; A656-W698 HydrophobicContact CB-CH2 3.86Å; A656-W698 HydrophobicContact CB-CZ2 3.63Å; A656-W698 HydrophobicContact CB-CZ3 4.13Å; P657-W698 HydrophobicContact CG-CB 4.28Å; R693-W698 HydrophobicContact CB-CB 4.49Å; T694-W698 PolarHBondContact O-N 3.25Å; W695-W698 HydrophobicContact CE3-CE3 4.45Å; W695-W698 HydrophobicContact CH2-CZ3 4.26Å; W695-W698 HydrophobicContact CZ2-CZ3 4.46Å; W695-W698 HydrophobicContact CZ3-CZ3 4.38Å; W695-W698 PolarHBondContact O-N 2.98Å; W698-R700 PolarHBondContact O-N 3.4Å; W698-E701 PolarHBondContact O-N 3.2Å; W698-E702 HydrophobicContact CH2-CB 4.47Å; W698-E702 HydrophobicContact CH2-CG 4.28Å; W698-E702 HydrophobicContact CZ2-CB 4.36Å; W698-E702 HydrophobicContact CZ2-CG 4.23Å; W698-E702 PolarHBondContact O-N 2.85Å
699	R	88.4	Confident	80.7	Confident	126 Å²	126	63.9 Å²	63.9	48%	0.475	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-45.1	-180	-166.3	-177.6	-154.5	174.3	8	112.2	W695 E697 E701 E702 D703	W695-R699 WeakPolarHBondContact O-CB 3.45Å; W695-R699 PolarHBondContact O-N 3.37Å; E697-R699 VanDerWaalsContact C-N 3.35Å; E697-R699 PolarHBondContact O-N 3Å; R699-E701 VanDerWaalsContact C-N 3.26Å; R699-E701 PolarHBondContact O-N 2.9Å; R699-E702 PolarHBondContact O-N 2.71Å; R699-E702 VanDerWaalsContact O-N 3.13Å; R699-D703 WeakPolarHBondContact O-CB 3.29Å; R699-D703 VanDerWaalsContact O-CG 3.26Å; R699-D703 PolarHBondContact O-N 2.84Å
700	R	87	Confident	78.8	Confident	159 Å²	159	69.9 Å²	69.9	60%	0.6	34%	0.343	S	S	*	.	H	α-helix	trans	-58.1	-39	176.2	-83.3	-180	-90.9	167.9	-12.6	112.5	D696 E697 W698 A704	D696-R700 WeakPolarHBondContact O-CB 3.31Å; D696-R700 WeakPolarHBondContact O-CG 3.33Å; D696-R700 PolarHBondContact O-N 2.9Å; D696-R700 VanDerWaalsContact O-N 3.17Å; D696-R700 PolarHBondContact O-NE 3.24Å; E697-R700 PolarHBondContact O-N 3.01Å; W698-R700 PolarHBondContact O-N 3.4Å; R700-A704 WeakPolarHBondContact O-CB 3.17Å; R700-A704 PolarHBondContact O-N 3.28Å; R700-A704 VanDerWaalsContact O-N 3.12Å
701	E	83.6	Confident	77	Confident	72 Å²	72	78.7 Å²	78.7	34%	0.336	37%	0.371	S	S	.	.	H	α-helix	trans	-72.5	-37.3	176	-69.2	-171.4	-163.2	0	0	113	R693 E697 W698 R699 A704 R705	R693-E701 VanDerWaalsContact CZ-CD 3.45Å; R693-E701 IonicContact CZ-OE1 3.9Å; R693-E701 VanDerWaalsContact CZ-OE1 3.22Å; R693-E701 IonicContact CZ-OE2 2.64Å; R693-E701 IonicContact NE-OE1 3.13Å; R693-E701 VanDerWaalsContact NH1-CD 3.34Å; R693-E701 IonicContact NH1-OE1 2.7Å; R693-E701 IonicContact NH1-OE2 3.61Å; R693-E701 PolarHBondContact NH1-OE2 3.41Å; R693-E701 VanDerWaalsContact NH2-CD 3.34Å; R693-E701 IonicContact NH2-OE1 2.99Å; R693-E701 PolarHBondContact NH2-OE1 2.8Å; R693-E701 IonicContact NH2-OE2 2.73Å; R693-E701 PolarHBondContact NH2-OE2 3.13Å; E697-E701 PolarHBondContact O-N 3.5Å; W698-E701 PolarHBondContact O-N 3.2Å; R699-E701 VanDerWaalsContact C-N 3.26Å; R699-E701 PolarHBondContact O-N 2.9Å; E701-A704 PolarHBondContact O-N 3.33Å; E701-R705 WeakPolarHBondContact O-CG 3.24Å; E701-R705 PolarHBondContact O-N 3.35Å; E701-R705 IonicContact OE2-NH1 3.4Å; E701-R705 PolarHBondContact OE2-NH1 3.33Å
702	E	81.8	Confident	75	Confident	59 Å²	59	88.2 Å²	88.2	28%	0.276	41%	0.407	S	S	.	.	H	α-helix	trans	-66	-42.9	176.8	-170.4	57.6	-151.1	0	0	111.4	W698 R699 A704 R705 T706	W698-E702 HydrophobicContact CH2-CB 4.47Å; W698-E702 HydrophobicContact CH2-CG 4.28Å; W698-E702 HydrophobicContact CZ2-CB 4.36Å; W698-E702 HydrophobicContact CZ2-CG 4.23Å; W698-E702 PolarHBondContact O-N 2.85Å; R699-E702 PolarHBondContact O-N 2.71Å; R699-E702 VanDerWaalsContact O-N 3.13Å; E702-A704 VanDerWaalsContact C-N 3.3Å; E702-A704 PolarHBondContact O-N 3.04Å; E702-R705 WeakPolarHBondContact O-CB 3.07Å; E702-R705 PolarHBondContact O-N 3.23Å; E702-R705 VanDerWaalsContact O-N 3.14Å; E702-R705 IonicContact OE2-CZ 3.94Å; E702-R705 IonicContact OE2-NE 2.89Å; E702-R705 PolarHBondContact OE2-NE 3.31Å; E702-R705 IonicContact OE2-NH2 3.87Å; E702-R705 PolarHBondContact OE2-NH2 3.01Å; E702-T706 WeakPolarHBondContact O-CG2 3.49Å; E702-T706 PolarHBondContact O-N 2.86Å; E702-T706 PolarHBondContact O-OG1 2.9Å
703	D	83.5	Confident	73	Confident	77 Å²	77	90.6 Å²	90.6	41%	0.412	42%	0.415	S	S	.	.	H	α-helix	trans	-60.2	-41.3	172.9	-67.3	-19.8	0	0	0	111	R699 R705 T706 H707	R699-D703 WeakPolarHBondContact O-CB 3.29Å; R699-D703 VanDerWaalsContact O-CG 3.26Å; R699-D703 PolarHBondContact O-N 2.84Å; D703-R705 PolarHBondContact O-N 3.05Å; D703-T706 WeakPolarHBondContact CA-OG1 3.34Å; D703-T706 PolarHBondContact O-OG1 2.98Å; D703-T706 VanDerWaalsContact O-OG1 3.07Å; D703-H707 WeakPolarHBondContact O-CB 3.47Å; D703-H707 PolarHBondContact O-N 2.84Å
704	A	80.7	Confident	71.3	Confident	57 Å²	57	95 Å²	95	47%	0.471	44%	0.443	S	S	.	.	H	α-helix	trans	-64.4	-38.5	175	0	0	0	0	0	112.4	R700 E701 E702 T708	R700-A704 WeakPolarHBondContact O-CB 3.17Å; R700-A704 PolarHBondContact O-N 3.28Å; R700-A704 VanDerWaalsContact O-N 3.12Å; E701-A704 PolarHBondContact O-N 3.33Å; E702-A704 VanDerWaalsContact C-N 3.3Å; E702-A704 PolarHBondContact O-N 3.04Å; A704-T708 PolarHBondContact O-N 3.08Å; A704-T708 PolarHBondContact O-OG1 3.29Å
705	R	76.6	Confident	69.5	Low	67 Å²	67	105.2 Å²	105.2	25%	0.253	48%	0.481	S	S	.	.	H	α-helix	trans	-66.7	-51.5	176.1	-77.6	-173.4	-70.9	-89.2	2.7	111.4	E701 E702 D703 H707 T708 T709	E701-R705 WeakPolarHBondContact O-CG 3.24Å; E701-R705 PolarHBondContact O-N 3.35Å; E701-R705 IonicContact OE2-NH1 3.4Å; E701-R705 PolarHBondContact OE2-NH1 3.33Å; E702-R705 WeakPolarHBondContact O-CB 3.07Å; E702-R705 PolarHBondContact O-N 3.23Å; E702-R705 VanDerWaalsContact O-N 3.14Å; E702-R705 IonicContact OE2-CZ 3.94Å; E702-R705 IonicContact OE2-NE 2.89Å; E702-R705 PolarHBondContact OE2-NE 3.31Å; E702-R705 IonicContact OE2-NH2 3.87Å; E702-R705 PolarHBondContact OE2-NH2 3.01Å; D703-R705 PolarHBondContact O-N 3.05Å; R705-H707 PolarHBondContact O-N 3.27Å; R705-T708 WeakPolarHBondContact O-CB 3.36Å; R705-T708 PolarHBondContact O-N 3.46Å; R705-T709 PolarHBondContact O-N 3.29Å; R705-T709 VanDerWaalsContact O-N 3.14Å; R705-T709 PolarHBondContact O-OG1 3.36Å
706	T	72.5	Confident	67.5	Low	55 Å²	55	106.5 Å²	106.5	34%	0.337	50%	0.504	S	S	.	.	H	α-helix	trans	-61.9	-42.9	-177.6	51.8	0	0	0	0	112.2	E702 D703 T708 T709 E710	E702-T706 WeakPolarHBondContact O-CG2 3.49Å; E702-T706 PolarHBondContact O-N 2.86Å; E702-T706 PolarHBondContact O-OG1 2.9Å; D703-T706 WeakPolarHBondContact CA-OG1 3.34Å; D703-T706 PolarHBondContact O-OG1 2.98Å; D703-T706 VanDerWaalsContact O-OG1 3.07Å; T706-T708 PolarHBondContact O-N 3.18Å; T706-T709 PolarHBondContact O-N 3.48Å; T706-E710 PolarHBondContact O-N 3.07Å
707	H	66.6	Low	65.1	Low	119 Å²	119	115 Å²	115	55%	0.551	53%	0.531	S	S	*	.	H	α-helix	trans	-63.7	-26.4	173.5	-76.2	-4.5	0	0	0	113.9	D703 R705 E710	D703-H707 WeakPolarHBondContact O-CB 3.47Å; D703-H707 PolarHBondContact O-N 2.84Å; R705-H707 PolarHBondContact O-N 3.27Å; H707-E710 IonicContact ND1-OE2 3.29Å
708	T	57.5	Low	62.7	Low	93 Å²	93	117.1 Å²	117.1	57%	0.571	55%	0.552	S	S	*	*	H	α-helix	trans	-74.2	-33.2	174.2	-51.3	0	0	0	0	111.2	A704 R705 T706	A704-T708 PolarHBondContact O-N 3.08Å; A704-T708 PolarHBondContact O-OG1 3.29Å; R705-T708 WeakPolarHBondContact O-CB 3.36Å; R705-T708 PolarHBondContact O-N 3.46Å; T706-T708 PolarHBondContact O-N 3.18Å
709	T	52.8	Low	60.3	Low	75 Å²	75	127.8 Å²	127.8	46%	0.46	60%	0.604	S	S	.	*	H	α-helix	trans	-77.5	-39.6	179.9	-41.1	0	0	0	0	112.5	R705 T706 R711 R712 H713	R705-T709 PolarHBondContact O-N 3.29Å; R705-T709 VanDerWaalsContact O-N 3.14Å; R705-T709 PolarHBondContact O-OG1 3.36Å; T706-T709 PolarHBondContact O-N 3.48Å; T709-R711 VanDerWaalsContact C-N 3.29Å; T709-R711 PolarHBondContact O-N 3.41Å; T709-R712 WeakPolarHBondContact O-CA 3.47Å; T709-R712 WeakPolarHBondContact O-CB 3.12Å; T709-R712 PolarHBondContact O-N 2.97Å; T709-H713 PolarHBondContact O-N 3.23Å
710	E	47	Very low	58.9	Low	127 Å²	127	127.9 Å²	127.9	59%	0.593	61%	0.61	S	S	*	*	H	α-helix	trans	-58.8	-40.6	174.4	-76.3	-178.7	155	0	0	111.6	T706 H707 R712 H713 D714	T706-E710 PolarHBondContact O-N 3.07Å; H707-E710 IonicContact ND1-OE2 3.29Å; E710-R712 PolarHBondContact O-N 2.65Å; E710-R712 VanDerWaalsContact O-N 3.11Å; E710-H713 PolarHBondContact O-N 3.09Å; E710-H713 VanDerWaalsContact O-N 3.16Å; E710-D714 PolarHBondContact O-N 2.85Å
711	R	47.4	Very low	57.4	Low	203 Å²	203	126.2 Å²	126.2	77%	0.766	61%	0.611	S	S	*	*	H	α-helix	trans	-63	-17.8	173.8	-77.6	-173.9	174.2	-173.2	0.9	114.6	T709	T709-R711 VanDerWaalsContact C-N 3.29Å; T709-R711 PolarHBondContact O-N 3.41Å
712	R	44.8	Very low	56	Low	203 Å²	203	129.2 Å²	129.2	77%	0.766	63%	0.626	S	S	*	*	H	α-helix	trans	-88	-34.8	174.7	-80.3	-175	169.7	-177.2	-2	112.2	T709 E710 R715	T709-R712 WeakPolarHBondContact O-CA 3.47Å; T709-R712 WeakPolarHBondContact O-CB 3.12Å; T709-R712 PolarHBondContact O-N 2.97Å; E710-R712 PolarHBondContact O-N 2.65Å; E710-R712 VanDerWaalsContact O-N 3.11Å; R712-R715 PolarHBondContact O-N 2.79Å
713	H	42.5	Very low	54.4	Low	140 Å²	140	133.4 Å²	133.4	65%	0.648	65%	0.647	S	S	*	*	H	α-helix	trans	-73.3	-30.4	-180	-84.7	-72.8	0	0	0	113.5	T709 E710 R715 G716	T709-H713 PolarHBondContact O-N 3.23Å; E710-H713 PolarHBondContact O-N 3.09Å; E710-H713 VanDerWaalsContact O-N 3.16Å; H713-R715 PolarHBondContact O-N 2.71Å; H713-R715 VanDerWaalsContact O-N 3.09Å; H713-G716 PolarHBondContact O-N 3.46Å; H713-G716 VanDerWaalsContact O-N 3.11Å
714	D	49	Very low	52.6	Low	149 Å²	149	136.9 Å²	136.9	80%	0.797	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-9.8	175.3	-81.7	-11.9	0	0	0	114.3	E710	E710-D714 PolarHBondContact O-N 2.85Å
715	R	47.7	Very low	50.8	Low	218 Å²	218	142.2 Å²	142.2	82%	0.823	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	6.6	174.5	-61	-165.9	-163.3	-169.6	1.7	114.1	R712 H713	R712-R715 PolarHBondContact O-N 2.79Å; H713-R715 PolarHBondContact O-N 2.71Å; H713-R715 VanDerWaalsContact O-N 3.09Å
716	G	45.2	Very low	48.9	Very low	58 Å²	58	147.6 Å²	147.6	60%	0.598	70%	0.704	S	S	*	*	S	Bend	trans	-98.2	-13.9	-173.5	0	0	0	0	0	116.7	H713	H713-G716 PolarHBondContact O-N 3.46Å; H713-G716 VanDerWaalsContact O-N 3.11Å
717	W	35.3	Very low	47.1	Very low	251 Å²	251	154.7 Å²	154.7	95%	0.951	73%	0.733	S	S	*	*			trans	-113.5	67.5	-174.8	-70.4	71.5	0	0	0	111.2
718	S	38.9	Very low	45.5	Very low	107 Å²	107	157.7 Å²	157.7	75%	0.748	75%	0.748	S	S	*	*			trans	-152.7	71.3	159.2	71.2	0	0	0	0	109.8
719	Q	37.8	Very low	44.4	Very low	268 Å²	268	163.5 Å²	163.5	100%	1.252	76%	0.764	S	S	*	*			trans	-119.5	0	142.2	-75.7	-170.7	-0.2	0	0	106

Retrieved 719 of 719 residues in 950.2 ms (Link to these results)

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