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Tubulin beta chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession A0A075B736, Species HUMAN (Homo sapiens, Human), Gene TUBB8, Length 407 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	57.3	Low	82.6	Confident	103 Å²	103	56 Å²	56	51%	0.507	27%	0.269	S	S	.	.				0	-142.8	0	-106	165.1	-86.4	0	0	104.9	E3 N48 D91 C92	M1-E3 VanDerWaalsContact CA-OE1 3.23Å; M1-E3 WeakPolarHBondContact CA-OE1 3.12Å; M1-E3 VanDerWaalsContact CB-OE1 3.22Å; M1-E3 WeakPolarHBondContact CB-OE1 3.32Å; M1-E3 PolarHBondContact N-OE1 3.31Å; M1-N48 VanDerWaalsContact CE-ND2 3.26Å; M1-N48 WeakPolarHBondContact CE-ND2 3.22Å; M1-D91 PolarHBondContact N-OD2 3.19Å; M1-C92 WeakPolarHBondContact O-CB 3.31Å
2	R	71.3	Confident	82.9	Confident	140 Å²	140	54 Å²	54	53%	0.528	26%	0.264	S	S	.	.			trans	-124.9	110.3	164.8	-78.3	-169.2	-171.7	-172.6	-15.1	106.7	Q94 D212	R2-Q94 HydrophobicContact CB-CG 3.69Å; R2-Q94 HydrophobicContact CG-CG 4.17Å; R2-D212 IonicContact CZ-OD2 3.68Å; R2-D212 VanDerWaalsContact NH1-CB 3.34Å; R2-D212 IonicContact NH1-OD1 3.53Å; R2-D212 IonicContact NH1-OD2 2.9Å; R2-D212 PolarHBondContact NH1-OD2 3.09Å; R2-D212 IonicContact NH2-OD2 3.57Å
3	E	80.1	Confident	83.2	Confident	24 Å²	24	49.8 Å²	49.8	11%	0.112	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	148.8	-169.6	-59.3	80.3	-165.5	0	0	111.1	M1 C90 C92 Q94	M1-E3 VanDerWaalsContact CA-OE1 3.23Å; M1-E3 WeakPolarHBondContact CA-OE1 3.12Å; M1-E3 VanDerWaalsContact CB-OE1 3.22Å; M1-E3 WeakPolarHBondContact CB-OE1 3.32Å; M1-E3 PolarHBondContact N-OE1 3.31Å; E3-C90 HydrophobicContact CB-CB 3.91Å; E3-C90 VanDerWaalsContact CB-SG 3.53Å; E3-C90 HydrophobicContact CG-CB 4.16Å; E3-C92 PolarHBondContact N-O 3.46Å; E3-C92 VanDerWaalsContact N-O 3.15Å; E3-C92 WeakPolarHBondContact OE2-CA 3.42Å; E3-C92 PolarHBondContact OE2-N 2.68Å; E3-Q94 PolarHBondContact O-N 3.15Å
4	I	84.4	Confident	83.5	Confident	52 Å²	52	52.1 Å²	52.1	27%	0.267	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.8	176.5	-60.8	165.6	0	0	0	107.3	Q94 Q97 L203 L213	I4-Q94 HydrophobicContact CG1-CB 4.2Å; I4-Q97 HydrophobicContact CG2-CB 3.86Å; I4-L203 HydrophobicContact CD1-CB 4.26Å; I4-L203 HydrophobicContact CD1-CD1 3.63Å; I4-L203 HydrophobicContact CD1-CG 4.38Å; I4-L213 HydrophobicContact CD1-CD1 3.81Å; I4-L213 HydrophobicContact CD1-CG 4.15Å; I4-L213 HydrophobicContact CG1-CD1 3.97Å; I4-L213 HydrophobicContact CG2-CD1 4.49Å
5	V	87.1	Confident	83.8	Confident	17 Å²	17	53.6 Å²	53.6	10%	0.103	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.7	174	175.6	0	0	0	0	108.2	E86 L93 G95 F96 Q97	V5-E86 HydrophobicContact CG2-CB 4.23Å; V5-L93 HydrophobicContact CB-CD1 4.45Å; V5-L93 HydrophobicContact CG2-CD1 3.73Å; V5-G95 PolarHBondContact N-O 2.82Å; V5-F96 HydrophobicContact CB-CD1 3.81Å; V5-F96 HydrophobicContact CB-CE1 4.09Å; V5-F96 HydrophobicContact CG1-CD1 4.12Å; V5-F96 HydrophobicContact CG1-CE1 4.37Å; V5-F96 HydrophobicContact CG2-CE1 4.41Å; V5-F96 WeakPolarHBondContact O-CA 3.26Å; V5-Q97 PolarHBondContact O-N 3.38Å
6	L	87.7	Confident	84.1	Confident	34 Å²	34	50.4 Å²	50.4	18%	0.178	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120	174.7	178	72.4	0	0	0	110.1	Q8 F20 W21 Q97	L6-Q8 HydrophobicContact CD2-CG 4.39Å; L6-Q8 HydrophobicContact CG-CG 4.34Å; L6-F20 HydrophobicContact CD2-CD1 3.8Å; L6-F20 HydrophobicContact CD2-CE1 3.77Å; L6-W21 HydrophobicContact CB-CZ2 4.2Å; L6-W21 HydrophobicContact CD2-CZ2 3.72Å; L6-Q97 CarbonylContact C-O 3.6Å; L6-Q97 VanDerWaalsContact CA-O 3.31Å; L6-Q97 WeakPolarHBondContact CA-O 3.47Å; L6-Q97 HydrophobicContact CD1-CB 3.79Å; L6-Q97 HydrophobicContact CD1-CG 3.6Å; L6-Q97 WeakPolarHBondContact CD1-O 3.33Å
7	T	89.1	Confident	84.2	Confident	19 Å²	19	47.4 Å²	47.4	12%	0.117	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.2	172.1	-51.6	0	0	0	0	110.1	I9 Q97 L98 T99 L114	T7-I9 HydrophobicContact CG2-CD1 4.15Å; T7-I9 HydrophobicContact CG2-CG1 3.96Å; T7-Q97 PolarHBondContact N-O 3.37Å; T7-L98 HydrophobicContact CG2-CD1 4.11Å; T7-L98 CarbonylContact O-C 3.56Å; T7-L98 WeakPolarHBondContact O-CA 3.36Å; T7-T99 PolarHBondContact O-N 3.04Å; T7-L114 HydrophobicContact CG2-CD2 3.66Å
8	Q	89.4	Confident	84.3	Confident	49 Å²	49	48.1 Å²	48.1	23%	0.229	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.8	179.6	-58.6	172.1	16.8	0	0	108.4	L6 N14 G17	L6-Q8 HydrophobicContact CD2-CG 4.39Å; L6-Q8 HydrophobicContact CG-CG 4.34Å; Q8-N14 WeakPolarHBondContact CB-OD1 3.22Å; Q8-N14 PolarHBondContact O-OD1 2.99Å; Q8-G17 VanDerWaalsContact CD-CA 3.45Å; Q8-G17 VanDerWaalsContact NE2-CA 3.34Å
9	I	88.2	Confident	84.5	Confident	11 Å²	11	49.5 Å²	49.5	6%	0.056	25%	0.252	C	S	.	.			trans	-131.6	132.1	-174.7	-54.8	-179.4	0	0	0	111.3	T7 L98 T99 H100 T106 L114	T7-I9 HydrophobicContact CG2-CD1 4.15Å; T7-I9 HydrophobicContact CG2-CG1 3.96Å; I9-L98 HydrophobicContact CB-CD1 4.49Å; I9-L98 HydrophobicContact CD1-CD1 3.43Å; I9-L98 VanDerWaalsContact CD1-CD1 3.43Å; I9-L98 HydrophobicContact CG1-CD1 3.72Å; I9-T99 PolarHBondContact N-O 3.28Å; I9-H100 HydrophobicContact CB-CB 4.45Å; I9-T106 HydrophobicContact CG2-CG2 4.21Å; I9-T106 WeakPolarHBondContact CG2-O 3.23Å; I9-L114 HydrophobicContact CD1-CB 4.26Å; I9-L114 HydrophobicContact CD1-CD2 3.63Å
10	G	86.8	Confident	84.7	Confident	14 Å²	14	47.4 Å²	47.4	14%	0.144	24%	0.241	C	C	.	.	H	α-helix	trans	75.7	173.3	179.8	0	0	0	0	0	113.4	C12 G13 N14	G10-C12 PolarHBondContact O-N 2.93Å; G10-G13 PolarHBondContact O-N 3.44Å; G10-N14 WeakPolarHBondContact O-CB 3.09Å; G10-N14 VanDerWaalsContact O-CG 3.32Å; G10-N14 PolarHBondContact O-N 3.18Å; G10-N14 PolarHBondContact O-ND2 3.23Å
11	Q	86.9	Confident	84.7	Confident	153 Å²	153	47.3 Å²	47.3	72%	0.715	24%	0.237	S	C	*	.	H	α-helix	trans	-58.2	-48.9	-175	-179.6	-178.7	-18.8	0	0	112.7	Q15	Q11-Q15 VanDerWaalsContact O-CG 3.29Å; Q11-Q15 WeakPolarHBondContact O-CG 3.5Å; Q11-Q15 PolarHBondContact O-N 3.14Å; Q11-Q15 VanDerWaalsContact O-N 3.07Å
12	C	86.8	Confident	86	Confident	32 Å²	32	47.1 Å²	47.1	22%	0.216	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-45.1	-179.7	-179.7	0	0	0	0	111.5	G10 N14 Q15 I16	G10-C12 PolarHBondContact O-N 2.93Å; C12-N14 PolarHBondContact O-N 3.07Å; C12-Q15 PolarHBondContact O-N 3.46Å; C12-I16 WeakPolarHBondContact O-CG1 3.43Å; C12-I16 PolarHBondContact O-N 2.74Å; C12-I16 VanDerWaalsContact SG-CD1 3.53Å
13	G	86.2	Confident	86.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.7	-45.1	177.9	0	0	0	0	0	112.7	G10 G17 T99	G10-G13 PolarHBondContact O-N 3.44Å; G13-G17 PolarHBondContact O-N 2.83Å; G13-T99 WeakPolarHBondContact CA-O 3.42Å
14	N	87.8	Confident	86.7	Confident	81 Å²	81	41.1 Å²	41.1	43%	0.433	22%	0.215	S	C	.	.	H	α-helix	trans	-67.2	-39.8	178.1	-71.2	-23.2	0	0	0	112.8	Q8 G10 C12 A18	Q8-N14 WeakPolarHBondContact CB-OD1 3.22Å; Q8-N14 PolarHBondContact O-OD1 2.99Å; G10-N14 WeakPolarHBondContact O-CB 3.09Å; G10-N14 VanDerWaalsContact O-CG 3.32Å; G10-N14 PolarHBondContact O-N 3.18Å; G10-N14 PolarHBondContact O-ND2 3.23Å; C12-N14 PolarHBondContact O-N 3.07Å; N14-A18 VanDerWaalsContact O-CB 3.27Å; N14-A18 WeakPolarHBondContact O-CB 3.44Å; N14-A18 PolarHBondContact O-N 2.74Å
15	Q	88.3	Confident	86.5	Confident	75 Å²	75	39.9 Å²	39.9	35%	0.35	21%	0.211	S	C	.	.	H	α-helix	trans	-66.4	-42.3	178.3	-73.2	-179.2	10.2	0	0	112.4	Q11 C12 K19	Q11-Q15 VanDerWaalsContact O-CG 3.29Å; Q11-Q15 WeakPolarHBondContact O-CG 3.5Å; Q11-Q15 PolarHBondContact O-N 3.14Å; Q11-Q15 VanDerWaalsContact O-N 3.07Å; C12-Q15 PolarHBondContact O-N 3.46Å; Q15-K19 PolarHBondContact O-N 2.84Å
16	I	88.8	Confident	86.2	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-68.5	-45.1	177.1	-69.5	168.8	0	0	0	110	C12 A18 K19 F20 T99 I132 N189 V192 M196	C12-I16 WeakPolarHBondContact O-CG1 3.43Å; C12-I16 PolarHBondContact O-N 2.74Å; C12-I16 VanDerWaalsContact SG-CD1 3.53Å; I16-A18 PolarHBondContact O-N 3.33Å; I16-K19 PolarHBondContact O-N 3.41Å; I16-F20 WeakPolarHBondContact O-CB 3.34Å; I16-F20 PolarHBondContact O-N 2.69Å; I16-T99 HydrophobicContact CB-CG2 4.18Å; I16-T99 HydrophobicContact CG2-CG2 3.88Å; I16-I132 HydrophobicContact CD1-CD1 3.37Å; I16-I132 HydrophobicContact CD1-CG1 3.54Å; I16-N189 HydrophobicContact CG1-CB 4.4Å; I16-N189 WeakPolarHBondContact CG1-OD1 3.26Å; I16-V192 HydrophobicContact CD1-CG1 4.22Å; I16-V192 HydrophobicContact CG1-CG1 4.45Å; I16-V192 HydrophobicContact CG2-CB 4.25Å; I16-V192 HydrophobicContact CG2-CG1 3.49Å; I16-V192 VanDerWaalsContact CG2-CG1 3.49Å; I16-M196 HydrophobicContact CG2-SD 3.5Å; I16-M196 WeakPolarHBondContact CG2-SD 3.47Å
17	G	85.6	Confident	85.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-40.8	178	0	0	0	0	0	113.2	Q8 G13 K19 F20 W21	Q8-G17 VanDerWaalsContact CD-CA 3.45Å; Q8-G17 VanDerWaalsContact NE2-CA 3.34Å; G13-G17 PolarHBondContact O-N 2.83Å; G17-K19 PolarHBondContact O-N 3.12Å; G17-F20 WeakPolarHBondContact O-CB 3.23Å; G17-F20 PolarHBondContact O-N 3.43Å; G17-W21 PolarHBondContact O-N 3.43Å
18	A	86.6	Confident	85.1	Confident	59 Å²	59	40.5 Å²	40.5	49%	0.488	21%	0.213	S	C	.	.	H	α-helix	trans	-60.7	-44.1	172.9	0	0	0	0	0	111.9	N14 I16 W21 E22	N14-A18 VanDerWaalsContact O-CB 3.27Å; N14-A18 WeakPolarHBondContact O-CB 3.44Å; N14-A18 PolarHBondContact O-N 2.74Å; I16-A18 PolarHBondContact O-N 3.33Å; A18-W21 PolarHBondContact O-N 3.2Å; A18-E22 PolarHBondContact O-N 3.02Å
19	K	87.2	Confident	84.6	Confident	75 Å²	75	39.4 Å²	39.4	33%	0.326	21%	0.213	S	C	.	.	H	α-helix	trans	-67.3	-37.6	176.2	-77.9	-73	166.6	-158.8	0	112.7	Q15 I16 G17 E22 V23 N189	Q15-K19 PolarHBondContact O-N 2.84Å; I16-K19 PolarHBondContact O-N 3.41Å; G17-K19 PolarHBondContact O-N 3.12Å; K19-E22 WeakPolarHBondContact CD-OE2 3.41Å; K19-E22 WeakPolarHBondContact CE-OE2 3.48Å; K19-E22 IonicContact NZ-OE1 3.25Å; K19-E22 IonicContact NZ-OE2 3.38Å; K19-E22 PolarHBondContact NZ-OE2 3.22Å; K19-E22 PolarHBondContact O-N 3.29Å; K19-V23 WeakPolarHBondContact O-CG2 3.41Å; K19-V23 PolarHBondContact O-N 2.95Å; K19-N189 HydrophobicContact CG-CB 4.2Å
20	F	87.8	Confident	84.1	Confident	8 Å²	8	40.6 Å²	40.6	4%	0.035	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-46.3	174.4	171.5	-107.9	0	0	0	111.5	L6 I16 G17 V23 I24 M196 T200	L6-F20 HydrophobicContact CD2-CD1 3.8Å; L6-F20 HydrophobicContact CD2-CE1 3.77Å; I16-F20 WeakPolarHBondContact O-CB 3.34Å; I16-F20 PolarHBondContact O-N 2.69Å; G17-F20 WeakPolarHBondContact O-CB 3.23Å; G17-F20 PolarHBondContact O-N 3.43Å; F20-V23 PolarHBondContact O-N 3.01Å; F20-I24 HydrophobicContact CD1-CD1 4.04Å; F20-I24 HydrophobicContact CD2-CD1 3.96Å; F20-I24 HydrophobicContact CD2-CG1 4.36Å; F20-I24 HydrophobicContact CE1-CD1 3.41Å; F20-I24 VanDerWaalsContact CE1-CD1 3.41Å; F20-I24 HydrophobicContact CE2-CD1 3.32Å; F20-I24 HydrophobicContact CE2-CG1 4.08Å; F20-I24 HydrophobicContact CG-CD1 4.31Å; F20-I24 HydrophobicContact CZ-CD1 3.04Å; F20-I24 HydrophobicContact CZ-CG1 4.22Å; F20-I24 WeakPolarHBondContact O-CG1 3.28Å; F20-I24 PolarHBondContact O-N 2.97Å; F20-M196 HydrophobicContact CB-CE 4.28Å; F20-M196 HydrophobicContact CB-SD 4.27Å; F20-M196 HydrophobicContact CD1-CE 4.25Å; F20-M196 HydrophobicContact CD2-CB 3.43Å; F20-M196 VanDerWaalsContact CD2-CB 3.43Å; F20-M196 HydrophobicContact CD2-CE 3.98Å; F20-M196 HydrophobicContact CD2-CG 4.42Å; F20-M196 HydrophobicContact CD2-SD 4.23Å; F20-M196 HydrophobicContact CE2-CB 3.57Å; F20-M196 HydrophobicContact CE2-CE 4.27Å; F20-M196 HydrophobicContact CG-CB 4.42Å; F20-M196 HydrophobicContact CG-CE 3.92Å; F20-M196 HydrophobicContact CG-SD 4.36Å; F20-T200 HydrophobicContact CE2-CG2 4.47Å; F20-T200 HydrophobicContact CZ-CG2 4.24Å
21	W	84.6	Confident	83.4	Confident	45 Å²	45	42.4 Å²	42.4	17%	0.17	23%	0.225	C	C	.	.	H	α-helix	trans	-67.5	-35.8	177	-76	127.7	0	0	0	113.6	L6 G17 A18 I24 S25 V49 Y51	L6-W21 HydrophobicContact CB-CZ2 4.2Å; L6-W21 HydrophobicContact CD2-CZ2 3.72Å; G17-W21 PolarHBondContact O-N 3.43Å; A18-W21 PolarHBondContact O-N 3.2Å; W21-I24 HydrophobicContact CE3-CB 4.49Å; W21-I24 HydrophobicContact CE3-CG2 4.38Å; W21-I24 HydrophobicContact CZ3-CG2 4.42Å; W21-I24 PolarHBondContact O-N 3.11Å; W21-S25 VanDerWaalsContact O-CB 3.22Å; W21-S25 WeakPolarHBondContact O-CB 3.49Å; W21-S25 PolarHBondContact O-N 2.85Å; W21-S25 PolarHBondContact O-OG 3.5Å; W21-V49 HydrophobicContact CE3-CG1 4.02Å; W21-V49 HydrophobicContact CH2-CB 4.49Å; W21-V49 HydrophobicContact CH2-CG1 3.42Å; W21-V49 VanDerWaalsContact CH2-CG1 3.42Å; W21-V49 HydrophobicContact CH2-CG2 4.33Å; W21-V49 HydrophobicContact CZ2-CG1 4.29Å; W21-V49 HydrophobicContact CZ3-CB 4.23Å; W21-V49 HydrophobicContact CZ3-CG1 3.25Å; W21-V49 HydrophobicContact CZ3-CG2 3.88Å; W21-Y51 HydrophobicContact CB-CE1 3.99Å; W21-Y51 WeakPolarHBondContact CB-OH 3.14Å; W21-Y51 AromaticContact CD1-CE1 3.56Å; W21-Y51 HydrophobicContact CD2-CD1 4.5Å; W21-Y51 AromaticContact CD2-CE1 3.4Å; W21-Y51 HydrophobicContact CD2-CE1 3.4Å; W21-Y51 AromaticContact CD2-CZ 3.64Å; W21-Y51 VanDerWaalsContact CD2-OH 3.25Å; W21-Y51 AromaticContact CE2-CE1 3.53Å; W21-Y51 AromaticContact CE3-CE1 3.98Å; W21-Y51 HydrophobicContact CE3-CE1 3.98Å; W21-Y51 AromaticContact CE3-CZ 3.71Å; W21-Y51 AromaticContact CG-CE1 3.42Å; W21-Y51 HydrophobicContact CG-CE1 3.42Å; W21-Y51 VanDerWaalsContact CG-CE1 3.42Å; W21-Y51 AromaticContact CG-CZ 3.9Å; W21-Y51 HydrophobicContact CZ2-CE1 4.22Å; W21-Y51 AromaticContact NE1-CE1 3.58Å
22	E	84.9	Confident	82.6	Confident	99 Å²	99	41.9 Å²	41.9	46%	0.463	24%	0.238	S	C	.	.	H	α-helix	trans	-59	-48.1	171.3	-174.5	-177.5	169	0	0	110.7	A18 K19 S25 D26	A18-E22 PolarHBondContact O-N 3.02Å; K19-E22 WeakPolarHBondContact CD-OE2 3.41Å; K19-E22 WeakPolarHBondContact CE-OE2 3.48Å; K19-E22 IonicContact NZ-OE1 3.25Å; K19-E22 IonicContact NZ-OE2 3.38Å; K19-E22 PolarHBondContact NZ-OE2 3.22Å; K19-E22 PolarHBondContact O-N 3.29Å; E22-S25 PolarHBondContact O-N 2.94Å; E22-D26 WeakPolarHBondContact O-CB 3.35Å; E22-D26 PolarHBondContact O-N 3.48Å
23	V	83.8	Confident	81.6	Confident	30 Å²	30	44.2 Å²	44.2	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-42.5	179.3	171.1	0	0	0	0	112	K19 F20 D26 E27	K19-V23 WeakPolarHBondContact O-CG2 3.41Å; K19-V23 PolarHBondContact O-N 2.95Å; F20-V23 PolarHBondContact O-N 3.01Å; V23-D26 WeakPolarHBondContact O-CB 3.19Å; V23-D26 PolarHBondContact O-N 2.86Å; V23-E27 WeakPolarHBondContact O-CG 3.31Å; V23-E27 PolarHBondContact O-N 2.8Å
24	I	82.8	Confident	80.7	Confident	8 Å²	8	47 Å²	47	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-44.7	178.1	-74.8	-175.8	0	0	0	111.2	F20 W21 D26 E27 H28	F20-I24 HydrophobicContact CD1-CD1 4.04Å; F20-I24 HydrophobicContact CD2-CD1 3.96Å; F20-I24 HydrophobicContact CD2-CG1 4.36Å; F20-I24 HydrophobicContact CE1-CD1 3.41Å; F20-I24 VanDerWaalsContact CE1-CD1 3.41Å; F20-I24 HydrophobicContact CE2-CD1 3.32Å; F20-I24 HydrophobicContact CE2-CG1 4.08Å; F20-I24 HydrophobicContact CG-CD1 4.31Å; F20-I24 HydrophobicContact CZ-CD1 3.04Å; F20-I24 HydrophobicContact CZ-CG1 4.22Å; F20-I24 WeakPolarHBondContact O-CG1 3.28Å; F20-I24 PolarHBondContact O-N 2.97Å; W21-I24 HydrophobicContact CE3-CB 4.49Å; W21-I24 HydrophobicContact CE3-CG2 4.38Å; W21-I24 HydrophobicContact CZ3-CG2 4.42Å; W21-I24 PolarHBondContact O-N 3.11Å; I24-D26 PolarHBondContact O-N 3.26Å; I24-E27 PolarHBondContact O-N 2.88Å; I24-E27 VanDerWaalsContact O-N 3.07Å; I24-H28 PolarHBondContact O-CD2 3.43Å; I24-H28 VanDerWaalsContact O-CD2 3.28Å; I24-H28 PolarHBondContact O-N 3.29Å
25	S	80.6	Confident	79.9	Confident	26 Å²	26	46.6 Å²	46.6	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-59	-42.5	178.3	-57.8	0	0	0	0	110.2	W21 E22 H28 A29 I30	W21-S25 VanDerWaalsContact O-CB 3.22Å; W21-S25 WeakPolarHBondContact O-CB 3.49Å; W21-S25 PolarHBondContact O-N 2.85Å; W21-S25 PolarHBondContact O-OG 3.5Å; E22-S25 PolarHBondContact O-N 2.94Å; S25-H28 CarbonylContact O-C 3.57Å; S25-H28 PolarHBondContact O-N 3.45Å; S25-A29 PolarHBondContact O-N 3.26Å; S25-I30 PolarHBondContact O-N 3.24Å
26	D	80.8	Confident	79.1	Confident	65 Å²	65	46 Å²	46	35%	0.348	29%	0.285	S	S	.	.	H	α-helix	trans	-61.6	-42.3	172.9	-84.5	-17	0	0	0	113.4	E22 V23 I24 H28 A29 R322	E22-D26 WeakPolarHBondContact O-CB 3.35Å; E22-D26 PolarHBondContact O-N 3.48Å; V23-D26 WeakPolarHBondContact O-CB 3.19Å; V23-D26 PolarHBondContact O-N 2.86Å; I24-D26 PolarHBondContact O-N 3.26Å; D26-H28 VanDerWaalsContact C-N 3.33Å; D26-H28 PolarHBondContact O-N 3.29Å; D26-A29 PolarHBondContact O-N 3.15Å; D26-R322 IonicContact OD1-NH1 2.67Å; D26-R322 PolarHBondContact OD1-NH1 2.84Å; D26-R322 IonicContact OD2-CZ 3.79Å; D26-R322 IonicContact OD2-NH1 2.77Å; D26-R322 PolarHBondContact OD2-NH1 3.02Å
27	E	78.4	Confident	78.5	Confident	13 Å²	13	51.8 Å²	51.8	6%	0.061	31%	0.311	C	S	.	.	H	α-helix	trans	-66.3	-34.5	178	-79.2	-172.6	-171.8	0	0	112.9	V23 I24 A29 Q43 S197 R204 R281	V23-E27 WeakPolarHBondContact O-CG 3.31Å; V23-E27 PolarHBondContact O-N 2.8Å; I24-E27 PolarHBondContact O-N 2.88Å; I24-E27 VanDerWaalsContact O-N 3.07Å; E27-A29 VanDerWaalsContact C-N 3.32Å; E27-Q43 PolarHBondContact O-NE2 3.14Å; E27-S197 VanDerWaalsContact CD-OG 3.23Å; E27-S197 PolarHBondContact OE1-OG 3.44Å; E27-S197 PolarHBondContact OE2-OG 3.01Å; E27-R204 IonicContact OE2-CZ 2.82Å; E27-R204 VanDerWaalsContact OE2-CZ 3.26Å; E27-R204 IonicContact OE2-NH1 3.78Å; E27-R204 PolarHBondContact OE2-NH1 3.48Å; E27-R204 IonicContact OE2-NH2 3.4Å; E27-R204 PolarHBondContact OE2-NH2 3.3Å; E27-R281 VanDerWaalsContact CD-NH2 3.28Å; E27-R281 IonicContact OE1-CZ 2.84Å; E27-R281 IonicContact OE1-NH1 2.8Å; E27-R281 PolarHBondContact OE1-NH1 3.09Å; E27-R281 IonicContact OE1-NH2 3Å; E27-R281 PolarHBondContact OE1-NH2 3.16Å; E27-R281 IonicContact OE2-CZ 2.7Å; E27-R281 IonicContact OE2-NH1 3.79Å; E27-R281 PolarHBondContact OE2-NH1 3.44Å; E27-R281 IonicContact OE2-NH2 3.32Å; E27-R281 PolarHBondContact OE2-NH2 3.17Å
28	H	75.8	Confident	77.6	Confident	5 Å²	5	52.6 Å²	52.6	2%	0.023	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	5.6	176	-71.5	-90.9	0	0	0	112.8	I24 S25 D26 I30 Y36 Q43 I47 R204 F205	I24-H28 PolarHBondContact O-CD2 3.43Å; I24-H28 VanDerWaalsContact O-CD2 3.28Å; I24-H28 PolarHBondContact O-N 3.29Å; S25-H28 CarbonylContact O-C 3.57Å; S25-H28 PolarHBondContact O-N 3.45Å; D26-H28 VanDerWaalsContact C-N 3.33Å; D26-H28 PolarHBondContact O-N 3.29Å; H28-I30 HydrophobicContact CB-CD1 4.11Å; H28-I30 HydrophobicContact CB-CG1 3.96Å; H28-I30 PolarHBondContact O-N 3.15Å; H28-Y36 WeakPolarHBondContact O-CD2 3.42Å; H28-Y36 WeakPolarHBondContact O-CE2 3.5Å; H28-Q43 PolarHBondContact ND1-O 3.2Å; H28-I47 HydrophobicContact CB-CD1 3.9Å; H28-I47 HydrophobicContact CB-CG1 4.25Å; H28-R204 PolarHBondContact NE2-NH1 3.17Å; H28-R204 VanDerWaalsContact NE2-NH1 3.15Å; H28-F205 AromaticContact CE1-CE1 3.73Å; H28-F205 AromaticContact CE1-CZ 3.9Å; H28-F205 AromaticContact NE2-CZ 3.8Å
29	A	77.1	Confident	76.8	Confident	27 Å²	27	58 Å²	58	22%	0.223	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	38.4	179.9	0	0	0	0	0	113.8	S25 D26 E27 Y36 H37 G38	S25-A29 PolarHBondContact O-N 3.26Å; D26-A29 PolarHBondContact O-N 3.15Å; E27-A29 VanDerWaalsContact C-N 3.32Å; A29-Y36 HydrophobicContact CB-CE2 4.42Å; A29-H37 PolarHBondContact O-N 2.72Å; A29-G38 VanDerWaalsContact CB-CA 3.42Å
30	I	77.9	Confident	75.8	Confident	36 Å²	36	56.5 Å²	56.5	19%	0.185	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-93.2	128.3	173.2	-48.3	177.5	0	0	0	107.8	S25 H28 I47	S25-I30 PolarHBondContact O-N 3.24Å; H28-I30 HydrophobicContact CB-CD1 4.11Å; H28-I30 HydrophobicContact CB-CG1 3.96Å; H28-I30 PolarHBondContact O-N 3.15Å; I30-I47 HydrophobicContact CD1-CD1 3.59Å; I30-I47 HydrophobicContact CD1-CG1 3.68Å; I30-I47 HydrophobicContact CG1-CD1 3.8Å; I30-I47 HydrophobicContact CG1-CG1 4.44Å
31	D	73.9	Confident	74.7	Confident	52 Å²	52	62.7 Å²	62.7	28%	0.278	37%	0.368	S	S	.	.			trans	-76.1	169.3	172.9	70.2	17.3	0	0	0	112.3	A33 G34 T35 H37	D31-A33 PolarHBondContact O-N 3.07Å; D31-A33 VanDerWaalsContact O-N 3.09Å; D31-A33 VanDerWaalsContact OD1-CA 3.24Å; D31-A33 WeakPolarHBondContact OD1-CA 3.11Å; D31-A33 WeakPolarHBondContact OD1-CB 3.49Å; D31-A33 PolarHBondContact OD1-N 2.82Å; D31-G34 PolarHBondContact O-N 3.26Å; D31-G34 PolarHBondContact OD1-N 3.07Å; D31-T35 PolarHBondContact N-O 3.34Å; D31-T35 PolarHBondContact OD1-N 3.24Å; D31-T35 WeakPolarHBondContact OD2-CB 3.47Å; D31-H37 IonicContact OD2-CD2 3.87Å; D31-H37 PolarHBondContact OD2-CD2 2.94Å; D31-H37 IonicContact OD2-CE1 2.98Å; D31-H37 IonicContact OD2-NE2 3.31Å; D31-H37 PolarHBondContact OD2-NE2 3.44Å
32	S	70	Confident	73.8	Confident	141 Å²	141	63.7 Å²	63.7	99%	0.986	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-9.8	175.7	52.8	0	0	0	0	114
33	A	65.4	Low	72.9	Confident	81 Å²	81	60.3 Å²	60.3	67%	0.669	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.4	172.9	0	0	0	0	0	112.5	D31	D31-A33 PolarHBondContact O-N 3.07Å; D31-A33 VanDerWaalsContact O-N 3.09Å; D31-A33 VanDerWaalsContact OD1-CA 3.24Å; D31-A33 WeakPolarHBondContact OD1-CA 3.11Å; D31-A33 WeakPolarHBondContact OD1-CB 3.49Å; D31-A33 PolarHBondContact OD1-N 2.82Å
34	G	67.6	Low	71.7	Confident	60 Å²	60	62.4 Å²	62.4	62%	0.619	37%	0.371	S	S	*	.	S	Bend	trans	81	11.8	-179.2	0	0	0	0	0	114.6	D31	D31-G34 PolarHBondContact O-N 3.26Å; D31-G34 PolarHBondContact OD1-N 3.07Å
35	T	69.4	Low	70.3	Confident	72 Å²	72	66.5 Å²	66.5	44%	0.442	39%	0.39	S	S	.	.			trans	-91.8	131.5	177.8	-46.3	0	0	0	0	110.3	D31 H37	D31-T35 PolarHBondContact N-O 3.34Å; D31-T35 PolarHBondContact OD1-N 3.24Å; D31-T35 WeakPolarHBondContact OD2-CB 3.47Å; T35-H37 PolarHBondContact O-CD2 2.8Å; T35-H37 VanDerWaalsContact O-CD2 3.28Å
36	Y	73.1	Confident	69.2	Low	63 Å²	63	69.9 Å²	69.9	25%	0.247	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-79.9	126.1	175.7	176.5	-100	0	0	0	111.2	H28 A29 G38 S40 Q43 L44 I47	H28-Y36 WeakPolarHBondContact O-CD2 3.42Å; H28-Y36 WeakPolarHBondContact O-CE2 3.5Å; A29-Y36 HydrophobicContact CB-CE2 4.42Å; Y36-G38 WeakPolarHBondContact CE1-O 3.42Å; Y36-G38 WeakPolarHBondContact OH-CA 3.47Å; Y36-G38 PolarHBondContact OH-O 2.72Å; Y36-S40 PolarHBondContact OH-N 2.98Å; Y36-S40 PolarHBondContact OH-O 2.97Å; Y36-Q43 HydrophobicContact CE2-CB 4Å; Y36-Q43 PolarHBondContact OH-OE1 2.8Å; Y36-Q43 VanDerWaalsContact OH-OE1 3.04Å; Y36-L44 HydrophobicContact CD1-CD1 4.09Å; Y36-L44 HydrophobicContact CD1-CD2 3.88Å; Y36-L44 HydrophobicContact CD1-CG 4.27Å; Y36-L44 HydrophobicContact CD2-CD2 3.58Å; Y36-L44 HydrophobicContact CD2-CG 4.27Å; Y36-L44 HydrophobicContact CE1-CD1 3.65Å; Y36-L44 HydrophobicContact CE1-CD2 3.98Å; Y36-L44 HydrophobicContact CE1-CG 3.87Å; Y36-L44 HydrophobicContact CE2-CD2 3.7Å; Y36-L44 HydrophobicContact CE2-CG 3.86Å; Y36-L44 HydrophobicContact CG-CD2 3.67Å; Y36-L44 HydrophobicContact CG-CG 4.45Å; Y36-I47 HydrophobicContact CD2-CD1 4.12Å
37	H	74.8	Confident	68	Low	122 Å²	122	68.4 Å²	68.4	57%	0.565	39%	0.39	S	S	*	.			trans	-121	20.3	176.4	-61.5	-83.1	0	0	0	112.5	A29 D31 T35	A29-H37 PolarHBondContact O-N 2.72Å; D31-H37 IonicContact OD2-CD2 3.87Å; D31-H37 PolarHBondContact OD2-CD2 2.94Å; D31-H37 IonicContact OD2-CE1 2.98Å; D31-H37 IonicContact OD2-NE2 3.31Å; D31-H37 PolarHBondContact OD2-NE2 3.44Å; T35-H37 PolarHBondContact O-CD2 2.8Å; T35-H37 VanDerWaalsContact O-CD2 3.28Å
38	G	67.5	Low	66.6	Low	18 Å²	18	71.7 Å²	71.7	19%	0.186	41%	0.408	C	S	.	.			trans	-83.3	161.4	-177.7	0	0	0	0	0	114.3	A29 Y36	A29-G38 VanDerWaalsContact CB-CA 3.42Å; Y36-G38 WeakPolarHBondContact CE1-O 3.42Å; Y36-G38 WeakPolarHBondContact OH-CA 3.47Å; Y36-G38 PolarHBondContact OH-O 2.72Å
39	D	68.8	Low	65.4	Low	173 Å²	173	73.8 Å²	73.8	93%	0.925	42%	0.421	S	S	*	.	S	Bend	trans	-103.4	-5	-178.2	-61.3	-40	0	0	0	113.1
40	S	66.5	Low	63.8	Low	43 Å²	43	80.3 Å²	80.3	30%	0.301	44%	0.441	S	S	.	.			trans	-119.9	121.6	-169.8	-178.2	0	0	0	0	112.9	Y36 L42 Q43	Y36-S40 PolarHBondContact OH-N 2.98Å; Y36-S40 PolarHBondContact OH-O 2.97Å; S40-L42 PolarHBondContact O-N 2.77Å; S40-L42 VanDerWaalsContact O-N 3.14Å; S40-Q43 WeakPolarHBondContact O-CB 3.22Å; S40-Q43 PolarHBondContact O-N 3.44Å
41	H	65	Low	62.1	Low	138 Å²	138	84.5 Å²	84.5	64%	0.639	46%	0.455	S	S	*	.	H	α-helix	trans	-57.8	-29.1	176.3	-172.9	-83	0	0	0	113.3	Q43 L44 E45	H41-Q43 PolarHBondContact O-N 2.7Å; H41-L44 PolarHBondContact O-N 3.12Å; H41-L44 VanDerWaalsContact O-N 3.07Å; H41-E45 PolarHBondContact O-N 2.96Å
42	L	66.8	Low	60.5	Low	65 Å²	65	87 Å²	87	34%	0.34	47%	0.469	S	S	.	.	H	α-helix	trans	-65.4	-20	177.5	-62.6	172.1	0	0	0	113	S40 P206 I319	S40-L42 PolarHBondContact O-N 2.77Å; S40-L42 VanDerWaalsContact O-N 3.14Å; L42-P206 HydrophobicContact CD2-CG 3.68Å; L42-I319 HydrophobicContact CB-CD1 3.67Å; L42-I319 HydrophobicContact CD1-CD1 4.21Å
43	Q	64.4	Low	59	Low	29 Å²	29	89.1 Å²	89.1	14%	0.136	46%	0.463	C	S	.	.	H	α-helix	trans	-77.1	-24.9	174.6	-67.2	170.2	-41.5	0	0	112.2	E27 H28 Y36 S40 H41	E27-Q43 PolarHBondContact O-NE2 3.14Å; H28-Q43 PolarHBondContact ND1-O 3.2Å; Y36-Q43 HydrophobicContact CE2-CB 4Å; Y36-Q43 PolarHBondContact OH-OE1 2.8Å; Y36-Q43 VanDerWaalsContact OH-OE1 3.04Å; S40-Q43 WeakPolarHBondContact O-CB 3.22Å; S40-Q43 PolarHBondContact O-N 3.44Å; H41-Q43 PolarHBondContact O-N 2.7Å
44	L	60.4	Low	57.7	Low	74 Å²	74	88 Å²	88	39%	0.387	45%	0.454	S	S	.	.	H	α-helix	trans	-91.2	-15.9	-177.1	-70.3	172.5	0	0	0	113.5	Y36 H41 R46 I47	Y36-L44 HydrophobicContact CD1-CD1 4.09Å; Y36-L44 HydrophobicContact CD1-CD2 3.88Å; Y36-L44 HydrophobicContact CD1-CG 4.27Å; Y36-L44 HydrophobicContact CD2-CD2 3.58Å; Y36-L44 HydrophobicContact CD2-CG 4.27Å; Y36-L44 HydrophobicContact CE1-CD1 3.65Å; Y36-L44 HydrophobicContact CE1-CD2 3.98Å; Y36-L44 HydrophobicContact CE1-CG 3.87Å; Y36-L44 HydrophobicContact CE2-CD2 3.7Å; Y36-L44 HydrophobicContact CE2-CG 3.86Å; Y36-L44 HydrophobicContact CG-CD2 3.67Å; Y36-L44 HydrophobicContact CG-CG 4.45Å; H41-L44 PolarHBondContact O-N 3.12Å; H41-L44 VanDerWaalsContact O-N 3.07Å; L44-R46 VanDerWaalsContact C-N 3.25Å; L44-R46 PolarHBondContact O-N 3.45Å; L44-I47 HydrophobicContact CD2-CD1 3.86Å; L44-I47 HydrophobicContact CD2-CG2 4.19Å; L44-I47 WeakPolarHBondContact O-CG2 3.31Å
45	E	53.3	Low	56.6	Low	94 Å²	94	90 Å²	90	44%	0.439	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.8	-167.3	-149.3	172.2	-174.5	0	0	114.3	H41	H41-E45 PolarHBondContact O-N 2.96Å
46	R	56.5	Low	55.8	Low	96 Å²	96	88.6 Å²	88.6	36%	0.362	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.9	37.9	176.8	-57.7	-172	178.8	174.4	2.3	113.3	L44 C202 L203 R204	L44-R46 VanDerWaalsContact C-N 3.25Å; L44-R46 PolarHBondContact O-N 3.45Å; R46-C202 PolarHBondContact NH1-O 3.04Å; R46-L203 WeakPolarHBondContact CD-O 3.39Å; R46-L203 PolarHBondContact NH1-O 2.77Å; R46-R204 WeakPolarHBondContact CB-O 3.48Å; R46-R204 WeakPolarHBondContact CD-O 3.38Å
47	I	56.6	Low	54.6	Low	34 Å²	34	95.7 Å²	95.7	17%	0.174	49%	0.493	C	S	.	.			trans	-91.4	6.1	-166.4	-154	169.9	0	0	0	115.6	H28 I30 Y36 L44 V49	H28-I47 HydrophobicContact CB-CD1 3.9Å; H28-I47 HydrophobicContact CB-CG1 4.25Å; I30-I47 HydrophobicContact CD1-CD1 3.59Å; I30-I47 HydrophobicContact CD1-CG1 3.68Å; I30-I47 HydrophobicContact CG1-CD1 3.8Å; I30-I47 HydrophobicContact CG1-CG1 4.44Å; Y36-I47 HydrophobicContact CD2-CD1 4.12Å; L44-I47 HydrophobicContact CD2-CD1 3.86Å; L44-I47 HydrophobicContact CD2-CG2 4.19Å; L44-I47 WeakPolarHBondContact O-CG2 3.31Å; I47-V49 PolarHBondContact O-N 3.05Å
48	N	48.4	Very low	53.7	Low	83 Å²	83	93.9 Å²	93.9	44%	0.444	49%	0.494	S	S	.	.			trans	-68.6	96.7	-179.5	-73.4	-1.7	0	0	0	110.4	M1 Y50	M1-N48 VanDerWaalsContact CE-ND2 3.26Å; M1-N48 WeakPolarHBondContact CE-ND2 3.22Å; N48-Y50 HydrophobicContact CB-CE2 4.36Å
49	V	50.7	Low	53.7	Low	49 Å²	49	95.6 Å²	95.6	30%	0.297	51%	0.511	S	S	.	.			trans	-117.3	124.6	177.8	174.9	0	0	0	0	108.4	W21 I47 Y51	W21-V49 HydrophobicContact CE3-CG1 4.02Å; W21-V49 HydrophobicContact CH2-CB 4.49Å; W21-V49 HydrophobicContact CH2-CG1 3.42Å; W21-V49 VanDerWaalsContact CH2-CG1 3.42Å; W21-V49 HydrophobicContact CH2-CG2 4.33Å; W21-V49 HydrophobicContact CZ2-CG1 4.29Å; W21-V49 HydrophobicContact CZ3-CB 4.23Å; W21-V49 HydrophobicContact CZ3-CG1 3.25Å; W21-V49 HydrophobicContact CZ3-CG2 3.88Å; I47-V49 PolarHBondContact O-N 3.05Å; V49-Y51 HydrophobicContact CG1-CD2 4.05Å; V49-Y51 HydrophobicContact CG1-CE2 3.47Å; V49-Y51 VanDerWaalsContact CG1-CE2 3.47Å
50	Y	43.8	Very low	53.9	Low	164 Å²	164	87.5 Å²	87.5	64%	0.643	47%	0.469	S	S	*	.			trans	-116.3	140.5	174.5	-67.4	-86	0	0	0	109.4	N48	N48-Y50 HydrophobicContact CB-CE2 4.36Å
51	Y	41.8	Very low	54.5	Low	123 Å²	123	88.1 Å²	88.1	48%	0.482	48%	0.482	S	S	.	.			trans	-117.9	125	177.7	-66.9	-90.4	0	0	0	108.9	W21 V49	W21-Y51 HydrophobicContact CB-CE1 3.99Å; W21-Y51 WeakPolarHBondContact CB-OH 3.14Å; W21-Y51 AromaticContact CD1-CE1 3.56Å; W21-Y51 HydrophobicContact CD2-CD1 4.5Å; W21-Y51 AromaticContact CD2-CE1 3.4Å; W21-Y51 HydrophobicContact CD2-CE1 3.4Å; W21-Y51 AromaticContact CD2-CZ 3.64Å; W21-Y51 VanDerWaalsContact CD2-OH 3.25Å; W21-Y51 AromaticContact CE2-CE1 3.53Å; W21-Y51 AromaticContact CE3-CE1 3.98Å; W21-Y51 HydrophobicContact CE3-CE1 3.98Å; W21-Y51 AromaticContact CE3-CZ 3.71Å; W21-Y51 AromaticContact CG-CE1 3.42Å; W21-Y51 HydrophobicContact CG-CE1 3.42Å; W21-Y51 VanDerWaalsContact CG-CE1 3.42Å; W21-Y51 AromaticContact CG-CZ 3.9Å; W21-Y51 HydrophobicContact CZ2-CE1 4.22Å; W21-Y51 AromaticContact NE1-CE1 3.58Å; V49-Y51 HydrophobicContact CG1-CD2 4.05Å; V49-Y51 HydrophobicContact CG1-CE2 3.47Å; V49-Y51 VanDerWaalsContact CG1-CE2 3.47Å
52	N	40.1	Very low	55.5	Low	105 Å²	105	84.9 Å²	84.9	56%	0.561	47%	0.469	S	S	*	.			trans	-133.3	128.8	166.7	-86.6	-38.5	0	0	0	109.2	V82 E86	N52-V82 HydrophobicContact CB-CG1 4.19Å; N52-E86 PolarHBondContact ND2-OE1 3.19Å
53	E	38	Very low	56.4	Low	186 Å²	186	82.1 Å²	82.1	87%	0.869	45%	0.454	S	S	*	.			trans	-107	124	-178.5	-172	178.2	-173.2	0	0	109.7
54	A	39.2	Very low	57.7	Low	57 Å²	57	80.9 Å²	80.9	47%	0.471	45%	0.449	S	S	.	.			trans	-111	124	168.6	0	0	0	0	0	108.4
55	S	44.4	Very low	59	Low	103 Å²	103	77.4 Å²	77.4	72%	0.72	43%	0.43	S	S	*	.			trans	-117.7	136	179	56.7	0	0	0	0	111.1
56	G	52.6	Low	60.7	Low	42 Å²	42	75.9 Å²	75.9	43%	0.433	42%	0.422	S	S	.	.			trans	-99.9	150.6	169.5	0	0	0	0	0	111.3
57	Q	47.7	Very low	62.1	Low	211 Å²	211	71.4 Å²	71.4	99%	0.986	41%	0.406	S	S	*	.	S	Bend	trans	-84.9	-13.1	-179.7	-66.9	-177.3	-2.3	0	0	113.8
58	C	56.3	Low	63.6	Low	85 Å²	85	70.8 Å²	70.8	57%	0.574	40%	0.402	S	S	*	.			trans	-116.1	149.4	-176.3	-131	0	0	0	0	111.8
59	G	66.8	Low	65.5	Low	53 Å²	53	71.2 Å²	71.2	55%	0.546	40%	0.398	S	S	.	.			trans	-122.3	135.3	-179.5	0	0	0	0	0	111.3	G61	G59-G61 PolarHBondContact O-N 3.15Å
60	A	73.3	Confident	67.2	Low	4 Å²	4	71 Å²	71	3%	0.033	40%	0.397	C	S	.	.			trans	-68.8	1.9	-171.7	0	0	0	0	0	115.4	N62 N63 K66 T106	A60-N62 VanDerWaalsContact C-N 3.33Å; A60-N62 PolarHBondContact O-N 2.86Å; A60-N63 WeakPolarHBondContact O-CB 3.49Å; A60-N63 PolarHBondContact O-N 2.82Å; A60-K66 HydrophobicContact CB-CB 4.16Å; A60-T106 WeakPolarHBondContact CB-OG1 3.49Å; A60-T106 PolarHBondContact N-OG1 3.08Å
61	G	79.5	Confident	69.1	Low	56 Å²	56	65.3 Å²	65.3	58%	0.577	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	38	171.7	0	0	0	0	0	115.5	G59 N63	G59-G61 PolarHBondContact O-N 3.15Å; G61-N63 PolarHBondContact O-N 2.94Å
62	N	84.4	Confident	71	Confident	70 Å²	70	59.7 Å²	59.7	37%	0.374	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	23.2	-176.1	-62.1	-30.5	0	0	0	115.4	A60 T141 V143 N147	A60-N62 VanDerWaalsContact C-N 3.33Å; A60-N62 PolarHBondContact O-N 2.86Å; N62-T141 HydrophobicContact CB-CG2 3.97Å; N62-T141 WeakPolarHBondContact ND2-CG2 3.16Å; N62-V143 HydrophobicContact CB-CG2 4.38Å; N62-V143 WeakPolarHBondContact O-CG2 3.45Å; N62-N147 PolarHBondContact O-ND2 2.83Å
63	N	87.3	Confident	73.1	Confident	6 Å²	6	56.8 Å²	56.8	3%	0.032	35%	0.346	C	S	.	.			trans	-109.7	117.5	174.6	-174.2	-14.3	0	0	0	110.2	A60 G61 A65 K66 G67 G105 W360 Y361	A60-N63 WeakPolarHBondContact O-CB 3.49Å; A60-N63 PolarHBondContact O-N 2.82Å; G61-N63 PolarHBondContact O-N 2.94Å; N63-A65 WeakPolarHBondContact OD1-CB 3.38Å; N63-A65 PolarHBondContact OD1-N 3.38Å; N63-K66 HydrophobicContact CB-CB 4.16Å; N63-K66 HydrophobicContact CB-CD 4.2Å; N63-K66 HydrophobicContact CB-CG 4.05Å; N63-K66 PolarHBondContact O-N 3.27Å; N63-G67 PolarHBondContact O-N 3.14Å; N63-G105 WeakPolarHBondContact O-CA 3.32Å; N63-W360 PolarHBondContact ND2-O 2.96Å; N63-Y361 VanDerWaalsContact OD1-CD1 3.29Å; N63-Y361 WeakPolarHBondContact OD1-CD1 3.26Å; N63-Y361 WeakPolarHBondContact OD1-CE1 3.39Å
64	W	90.3	Very high	75.5	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.015	34%	0.341	C	S	.	.	H	α-helix	trans	-61.1	-42.3	176.7	-178	100.3	0	0	0	112.3	K66 G67 H68 Y69 G109 N147 L150 S151 Q154 Y361 M366	W64-K66 VanDerWaalsContact C-N 3.28Å; W64-K66 PolarHBondContact O-N 3.47Å; W64-G67 CarbonylContact O-C 3.55Å; W64-G67 WeakPolarHBondContact O-CA 3.43Å; W64-G67 PolarHBondContact O-N 3.23Å; W64-H68 HydrophobicContact CD2-CB 4.14Å; W64-H68 HydrophobicContact CE3-CB 3.95Å; W64-H68 HydrophobicContact CH2-CB 3.8Å; W64-H68 AromaticContact CH2-CD2 3.5Å; W64-H68 VanDerWaalsContact CH2-CD2 3.5Å; W64-H68 WeakPolarHBondContact CH2-CD2 3.44Å; W64-H68 AromaticContact CH2-CG 3.4Å; W64-H68 VanDerWaalsContact CH2-CG 3.4Å; W64-H68 AromaticContact CH2-ND1 3.79Å; W64-H68 AromaticContact CH2-NE2 3.94Å; W64-H68 HydrophobicContact CZ2-CB 4.01Å; W64-H68 AromaticContact CZ2-CG 3.62Å; W64-H68 AromaticContact CZ2-ND1 3.57Å; W64-H68 HydrophobicContact CZ3-CB 3.78Å; W64-H68 AromaticContact CZ3-CG 3.88Å; W64-H68 WeakPolarHBondContact O-CB 3.32Å; W64-H68 PolarHBondContact O-N 3.44Å; W64-Y69 HydrophobicContact CZ3-CD2 4.47Å; W64-Y69 AromaticContact CZ3-CE2 3.88Å; W64-Y69 HydrophobicContact CZ3-CE2 3.88Å; W64-G109 VanDerWaalsContact CD1-CA 3.41Å; W64-G109 VanDerWaalsContact CD1-N 3.28Å; W64-N147 HydrophobicContact CB-CB 4.26Å; W64-N147 WeakPolarHBondContact CB-OD1 3.22Å; W64-N147 PolarHBondContact N-OD1 2.7Å; W64-L150 HydrophobicContact CB-CD1 4.28Å; W64-L150 HydrophobicContact CD2-CB 3.89Å; W64-L150 HydrophobicContact CD2-CD1 3.85Å; W64-L150 HydrophobicContact CE3-CB 4.31Å; W64-L150 HydrophobicContact CE3-CD1 3.67Å; W64-L150 HydrophobicContact CG-CB 4.18Å; W64-L150 HydrophobicContact CG-CD1 4.11Å; W64-L150 HydrophobicContact CZ2-CB 4.21Å; W64-L150 HydrophobicContact CZ3-CD1 4.29Å; W64-S151 PolarHBondContact NE1-OG 3.15Å; W64-Q154 HydrophobicContact CZ2-CG 4.33Å; W64-Y361 HydrophobicContact CB-CE1 4.04Å; W64-M366 HydrophobicContact CE3-SD 4.12Å; W64-M366 HydrophobicContact CZ3-CE 4.22Å; W64-M366 HydrophobicContact CZ3-SD 4.06Å
65	A	88.9	Confident	77.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-35.5	-177.5	0	0	0	0	0	111.9	N63 H68 Y69 Y361 E364 M366	N63-A65 WeakPolarHBondContact OD1-CB 3.38Å; N63-A65 PolarHBondContact OD1-N 3.38Å; A65-H68 PolarHBondContact O-N 2.96Å; A65-Y69 HydrophobicContact CB-CD2 4.31Å; A65-Y69 WeakPolarHBondContact O-CB 3.29Å; A65-Y69 PolarHBondContact O-N 2.88Å; A65-Y361 HydrophobicContact CB-CD1 3.94Å; A65-Y361 HydrophobicContact CB-CG 4.49Å; A65-E364 HydrophobicContact CB-CB 3.87Å; A65-E364 HydrophobicContact CB-CG 4.35Å; A65-M366 HydrophobicContact CB-CB 4.21Å; A65-M366 HydrophobicContact CB-SD 4.18Å
66	K	87.8	Confident	79.6	Confident	63 Å²	63	51.1 Å²	51.1	27%	0.274	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-44.6	171.3	-75.8	-169.2	167.5	-167.2	0	112.8	A60 N63 W64 H68 T70 E71 G72 E364	A60-K66 HydrophobicContact CB-CB 4.16Å; N63-K66 HydrophobicContact CB-CB 4.16Å; N63-K66 HydrophobicContact CB-CD 4.2Å; N63-K66 HydrophobicContact CB-CG 4.05Å; N63-K66 PolarHBondContact O-N 3.27Å; W64-K66 VanDerWaalsContact C-N 3.28Å; W64-K66 PolarHBondContact O-N 3.47Å; K66-H68 VanDerWaalsContact C-N 3.29Å; K66-H68 PolarHBondContact O-N 2.78Å; K66-T70 WeakPolarHBondContact CA-OG1 3.5Å; K66-T70 CarbonylContact O-C 3.58Å; K66-T70 PolarHBondContact O-N 3.2Å; K66-T70 PolarHBondContact O-OG1 3.21Å; K66-E71 PolarHBondContact O-N 3.11Å; K66-G72 PolarHBondContact O-N 3.33Å; K66-E364 VanDerWaalsContact CE-CD 3.44Å; K66-E364 WeakPolarHBondContact CE-OE1 3.4Å; K66-E364 HydrophobicContact CG-CG 3.62Å; K66-E364 WeakPolarHBondContact CG-OE2 3.29Å; K66-E364 IonicContact NZ-OE1 3.83Å
67	G	85.5	Confident	81.2	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-67.3	-30.8	177.9	0	0	0	0	0	112.9	N63 W64 G72 G109 M110	N63-G67 PolarHBondContact O-N 3.14Å; W64-G67 CarbonylContact O-C 3.55Å; W64-G67 WeakPolarHBondContact O-CA 3.43Å; W64-G67 PolarHBondContact O-N 3.23Å; G67-G72 WeakPolarHBondContact O-CA 3.32Å; G67-G109 CarbonylContact O-C 3.56Å; G67-M110 VanDerWaalsContact O-CA 3.26Å; G67-M110 WeakPolarHBondContact O-CA 3.31Å; G67-M110 PolarHBondContact O-N 3.26Å
68	H	88.8	Confident	83.1	Confident	21 Å²	21	49.4 Å²	49.4	10%	0.097	29%	0.288	C	S	.	.	H	α-helix	trans	-93.5	-42.7	-174	-161.3	78.9	0	0	0	113.5	W64 A65 K66 G109 T112 L113	W64-H68 HydrophobicContact CD2-CB 4.14Å; W64-H68 HydrophobicContact CE3-CB 3.95Å; W64-H68 HydrophobicContact CH2-CB 3.8Å; W64-H68 AromaticContact CH2-CD2 3.5Å; W64-H68 VanDerWaalsContact CH2-CD2 3.5Å; W64-H68 WeakPolarHBondContact CH2-CD2 3.44Å; W64-H68 AromaticContact CH2-CG 3.4Å; W64-H68 VanDerWaalsContact CH2-CG 3.4Å; W64-H68 AromaticContact CH2-ND1 3.79Å; W64-H68 AromaticContact CH2-NE2 3.94Å; W64-H68 HydrophobicContact CZ2-CB 4.01Å; W64-H68 AromaticContact CZ2-CG 3.62Å; W64-H68 AromaticContact CZ2-ND1 3.57Å; W64-H68 HydrophobicContact CZ3-CB 3.78Å; W64-H68 AromaticContact CZ3-CG 3.88Å; W64-H68 WeakPolarHBondContact O-CB 3.32Å; W64-H68 PolarHBondContact O-N 3.44Å; A65-H68 PolarHBondContact O-N 2.96Å; K66-H68 VanDerWaalsContact C-N 3.29Å; K66-H68 PolarHBondContact O-N 2.78Å; H68-G109 PolarHBondContact ND1-O 2.87Å; H68-T112 PolarHBondContact ND1-OG1 3.32Å; H68-L113 WeakPolarHBondContact O-CD2 3.44Å
69	Y	88.2	Confident	84.5	Confident	93 Å²	93	46.4 Å²	46.4	37%	0.365	27%	0.267	S	S	.	.	H	α-helix	trans	-104.4	-32.3	-171	-68.4	-63.2	0	0	0	114.4	W64 A65 M366 E370	W64-Y69 HydrophobicContact CZ3-CD2 4.47Å; W64-Y69 AromaticContact CZ3-CE2 3.88Å; W64-Y69 HydrophobicContact CZ3-CE2 3.88Å; A65-Y69 HydrophobicContact CB-CD2 4.31Å; A65-Y69 WeakPolarHBondContact O-CB 3.29Å; A65-Y69 PolarHBondContact O-N 2.88Å; Y69-M366 HydrophobicContact CD2-CB 4.36Å; Y69-M366 HydrophobicContact CE2-CB 4.02Å; Y69-M366 HydrophobicContact CE2-CG 4.02Å; Y69-E370 VanDerWaalsContact OH-CD 3.25Å; Y69-E370 PolarHBondContact OH-OE1 3.46Å; Y69-E370 PolarHBondContact OH-OE2 2.99Å
70	T	86.7	Confident	85.6	Confident	44 Å²	44	44.1 Å²	44.1	27%	0.27	24%	0.242	S	C	.	.	S	Bend	trans	-110.7	-91.8	-172.3	59.8	0	0	0	0	112.2	K66 G72 A73 E74 E364	K66-T70 WeakPolarHBondContact CA-OG1 3.5Å; K66-T70 CarbonylContact O-C 3.58Å; K66-T70 PolarHBondContact O-N 3.2Å; K66-T70 PolarHBondContact O-OG1 3.21Å; T70-G72 PolarHBondContact O-N 3.3Å; T70-A73 PolarHBondContact O-N 3.44Å; T70-E74 PolarHBondContact O-N 3.42Å; T70-E364 HydrophobicContact CG2-CB 4.43Å; T70-E364 VanDerWaalsContact CG2-OE2 3.28Å; T70-E364 WeakPolarHBondContact CG2-OE2 3.48Å; T70-E364 PolarHBondContact OG1-OE2 2.87Å
71	E	83.6	Confident	86.3	Confident	45 Å²	45	47.8 Å²	47.8	21%	0.21	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-39.1	-172	-64	-173.8	179.4	0	0	113.1	K66 L75	K66-E71 PolarHBondContact O-N 3.11Å; E71-L75 PolarHBondContact O-N 3.04Å
72	G	81.2	Confident	86.7	Confident	4 Å²	4	47.4 Å²	47.4	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-75	-26.3	179.9	0	0	0	0	0	113.5	K66 G67 T70 L75 M76	K66-G72 PolarHBondContact O-N 3.33Å; G67-G72 WeakPolarHBondContact O-CA 3.32Å; T70-G72 PolarHBondContact O-N 3.3Å; G72-L75 PolarHBondContact O-N 3Å; G72-M76 WeakPolarHBondContact O-CB 3.29Å; G72-M76 PolarHBondContact O-N 2.92Å
73	A	85.5	Confident	86.9	Confident	44 Å²	44	44.4 Å²	44.4	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-70	-37.8	174.5	0	0	0	0	0	111.6	T70 L75 M76 L113	T70-A73 PolarHBondContact O-N 3.44Å; A73-L75 VanDerWaalsContact C-N 3.34Å; A73-L75 PolarHBondContact O-N 3.18Å; A73-M76 WeakPolarHBondContact O-CB 3.46Å; A73-M76 PolarHBondContact O-N 3.45Å; A73-L113 HydrophobicContact CB-CD2 4.23Å
74	E	86.7	Confident	87	Confident	164 Å²	164	48 Å²	48	77%	0.766	25%	0.245	S	C	*	.	H	α-helix	trans	-63.1	-38.7	174.5	-67.3	-177	175.5	0	0	112.4	T70	T70-E74 PolarHBondContact O-N 3.42Å
75	L	85	Confident	86.9	Confident	51 Å²	51	54.4 Å²	54.4	27%	0.267	27%	0.273	S	S	.	.	H	α-helix	trans	-81	-16.5	177.9	-85.9	147.7	0	0	0	113.6	E71 G72 A73 E77 S78 V79 M110	E71-L75 PolarHBondContact O-N 3.04Å; G72-L75 PolarHBondContact O-N 3Å; A73-L75 VanDerWaalsContact C-N 3.34Å; A73-L75 PolarHBondContact O-N 3.18Å; L75-E77 PolarHBondContact O-N 3.03Å; L75-S78 PolarHBondContact O-N 3.38Å; L75-V79 WeakPolarHBondContact O-CG2 3.31Å; L75-V79 PolarHBondContact O-N 2.94Å; L75-M110 HydrophobicContact CB-CE 3.86Å
76	M	85.5	Confident	86.7	Confident	13 Å²	13	55.8 Å²	55.8	6%	0.064	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-43.8	-172.4	-174.4	51.8	63.1	0	0	112.5	G72 A73 S78 V79 M80 M110 L113 L114 K117	G72-M76 WeakPolarHBondContact O-CB 3.29Å; G72-M76 PolarHBondContact O-N 2.92Å; A73-M76 WeakPolarHBondContact O-CB 3.46Å; A73-M76 PolarHBondContact O-N 3.45Å; M76-S78 VanDerWaalsContact C-N 3.35Å; M76-S78 PolarHBondContact O-N 3.43Å; M76-V79 PolarHBondContact O-N 3.45Å; M76-M80 HydrophobicContact CG-CG 4.19Å; M76-M80 WeakPolarHBondContact O-CB 3.42Å; M76-M80 WeakPolarHBondContact O-CG 3.39Å; M76-M80 PolarHBondContact O-N 3.15Å; M76-M80 HydrophobicContact SD-CG 3.84Å; M76-M80 HydrophobicContact SD-SD 4.48Å; M76-M110 HydrophobicContact CE-CG 4.16Å; M76-L113 HydrophobicContact CB-CD2 4.27Å; M76-L113 HydrophobicContact CE-CB 3.8Å; M76-L113 HydrophobicContact CE-CD2 3.61Å; M76-L113 HydrophobicContact CE-CG 3.66Å; M76-L113 HydrophobicContact CG-CD2 4.24Å; M76-L114 HydrophobicContact CE-CB 3.78Å; M76-L114 HydrophobicContact CE-CD1 4.21Å; M76-L114 HydrophobicContact SD-CB 4.16Å; M76-L114 HydrophobicContact SD-CD1 3.48Å; M76-L114 WeakPolarHBondContact SD-CD1 3.19Å; M76-L114 HydrophobicContact SD-CG 4.43Å; M76-K117 HydrophobicContact CG-CG 4.34Å
77	E	86.3	Confident	86.6	Confident	146 Å²	146	53.3 Å²	53.3	68%	0.682	27%	0.271	S	S	*	.	H	α-helix	trans	-61.1	-45	-177.7	-169	172.7	-166.4	0	0	111.2	L75 V79 M80 D81	L75-E77 PolarHBondContact O-N 3.03Å; E77-V79 VanDerWaalsContact C-N 3.34Å; E77-V79 PolarHBondContact O-N 2.95Å; E77-M80 PolarHBondContact O-N 3.22Å; E77-D81 PolarHBondContact O-N 3.37Å
78	S	86.8	Confident	86.7	Confident	70 Å²	70	61.1 Å²	61.1	49%	0.49	31%	0.307	S	S	.	.	H	α-helix	trans	-64	-37.5	176.9	-177.9	0	0	0	0	112.8	L75 M76 V82	L75-S78 PolarHBondContact O-N 3.38Å; M76-S78 VanDerWaalsContact C-N 3.35Å; M76-S78 PolarHBondContact O-N 3.43Å; S78-V82 WeakPolarHBondContact O-CG2 3.24Å; S78-V82 PolarHBondContact O-N 3.21Å
79	V	87.1	Confident	86.5	Confident	22 Å²	22	63.4 Å²	63.4	13%	0.133	33%	0.326	C	S	.	.	H	α-helix	trans	-71.5	-43.2	178.4	174.1	0	0	0	0	110.3	L75 M76 E77 D81 V82 V83 M110 L114	L75-V79 WeakPolarHBondContact O-CG2 3.31Å; L75-V79 PolarHBondContact O-N 2.94Å; M76-V79 PolarHBondContact O-N 3.45Å; E77-V79 VanDerWaalsContact C-N 3.34Å; E77-V79 PolarHBondContact O-N 2.95Å; V79-D81 VanDerWaalsContact C-N 3.3Å; V79-D81 PolarHBondContact O-N 3.22Å; V79-V82 PolarHBondContact O-N 3.09Å; V79-V82 VanDerWaalsContact O-N 3.15Å; V79-V83 HydrophobicContact CG1-CG2 4.3Å; V79-V83 WeakPolarHBondContact O-CG2 3.47Å; V79-V83 PolarHBondContact O-N 2.77Å; V79-M110 HydrophobicContact CG2-CE 3.77Å; V79-L114 HydrophobicContact CG1-CD1 4.06Å; V79-L114 HydrophobicContact CG1-CD2 4.4Å
80	M	88.6	Confident	86.2	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.025	32%	0.317	C	S	.	.	H	α-helix	trans	-61.3	-37.9	177.4	-77	-60.1	-62.3	0	0	112.2	M76 E77 V82 V83 R84 L114 K117 I118 E121	M76-M80 HydrophobicContact CG-CG 4.19Å; M76-M80 WeakPolarHBondContact O-CB 3.42Å; M76-M80 WeakPolarHBondContact O-CG 3.39Å; M76-M80 PolarHBondContact O-N 3.15Å; M76-M80 HydrophobicContact SD-CG 3.84Å; M76-M80 HydrophobicContact SD-SD 4.48Å; E77-M80 PolarHBondContact O-N 3.22Å; M80-V82 VanDerWaalsContact C-N 3.32Å; M80-V82 PolarHBondContact O-N 2.95Å; M80-V83 PolarHBondContact O-N 3.4Å; M80-R84 WeakPolarHBondContact O-CB 3.14Å; M80-R84 VanDerWaalsContact O-CG 3.28Å; M80-R84 WeakPolarHBondContact O-CG 3.3Å; M80-R84 PolarHBondContact O-N 2.94Å; M80-L114 HydrophobicContact CG-CD1 4.19Å; M80-L114 HydrophobicContact SD-CD1 3.47Å; M80-L114 WeakPolarHBondContact SD-CD1 3.38Å; M80-K117 HydrophobicContact CE-CB 4.37Å; M80-K117 HydrophobicContact SD-CB 4.08Å; M80-I118 HydrophobicContact CE-CG1 4.37Å; M80-I118 HydrophobicContact SD-CG1 4.02Å; M80-E121 WeakPolarHBondContact CE-OE2 3.03Å
81	D	89.1	Confident	86	Confident	81 Å²	81	64.7 Å²	64.7	43%	0.433	34%	0.339	S	S	.	.	H	α-helix	trans	-63.6	-37.5	175.3	-75.5	-12.5	0	0	0	112.8	E77 V79 R84 K85	E77-D81 PolarHBondContact O-N 3.37Å; V79-D81 VanDerWaalsContact C-N 3.3Å; V79-D81 PolarHBondContact O-N 3.22Å; D81-R84 IonicContact OD1-NH1 3.26Å; D81-R84 PolarHBondContact OD1-NH1 2.9Å; D81-K85 WeakPolarHBondContact O-CB 3.32Å; D81-K85 PolarHBondContact O-N 2.95Å
82	V	87.4	Confident	85.9	Confident	49 Å²	49	65.4 Å²	65.4	30%	0.297	35%	0.348	S	S	.	.	H	α-helix	trans	-67.1	-45.9	173.1	176.8	0	0	0	0	110.3	N52 S78 V79 M80 R84 K85 E86	N52-V82 HydrophobicContact CB-CG1 4.19Å; S78-V82 WeakPolarHBondContact O-CG2 3.24Å; S78-V82 PolarHBondContact O-N 3.21Å; V79-V82 PolarHBondContact O-N 3.09Å; V79-V82 VanDerWaalsContact O-N 3.15Å; M80-V82 VanDerWaalsContact C-N 3.32Å; M80-V82 PolarHBondContact O-N 2.95Å; V82-R84 VanDerWaalsContact C-N 3.31Å; V82-R84 PolarHBondContact O-N 2.89Å; V82-K85 PolarHBondContact O-N 3.22Å; V82-E86 WeakPolarHBondContact O-CG 3.24Å; V82-E86 PolarHBondContact O-N 3.37Å
83	V	88	Confident	86.2	Confident	6 Å²	6	65.7 Å²	65.7	4%	0.036	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-42.3	178.1	173.5	0	0	0	0	111.2	V79 M80 E86 A87 F96 I118	V79-V83 HydrophobicContact CG1-CG2 4.3Å; V79-V83 WeakPolarHBondContact O-CG2 3.47Å; V79-V83 PolarHBondContact O-N 2.77Å; M80-V83 PolarHBondContact O-N 3.4Å; V83-E86 PolarHBondContact O-N 3.28Å; V83-A87 VanDerWaalsContact O-CB 3.31Å; V83-A87 WeakPolarHBondContact O-CB 3.4Å; V83-A87 PolarHBondContact O-N 3.5Å; V83-F96 HydrophobicContact CG1-CD1 4.15Å; V83-F96 HydrophobicContact CG1-CE1 3.49Å; V83-F96 VanDerWaalsContact CG1-CE1 3.49Å; V83-F96 HydrophobicContact CG1-CZ 4.23Å; V83-I118 HydrophobicContact CG1-CD1 4.42Å
84	R	89.8	Confident	86	Confident	81 Å²	81	64.6 Å²	64.6	31%	0.306	34%	0.336	S	S	.	.	H	α-helix	trans	-60.5	-48.3	174.3	-75.8	172.3	-171.8	134.9	6.1	111.9	M80 D81 V82 E86 A87 E88 E121	M80-R84 WeakPolarHBondContact O-CB 3.14Å; M80-R84 VanDerWaalsContact O-CG 3.28Å; M80-R84 WeakPolarHBondContact O-CG 3.3Å; M80-R84 PolarHBondContact O-N 2.94Å; D81-R84 IonicContact OD1-NH1 3.26Å; D81-R84 PolarHBondContact OD1-NH1 2.9Å; V82-R84 VanDerWaalsContact C-N 3.31Å; V82-R84 PolarHBondContact O-N 2.89Å; R84-E86 VanDerWaalsContact C-N 3.29Å; R84-E86 PolarHBondContact O-N 2.86Å; R84-A87 PolarHBondContact O-N 3.28Å; R84-A87 VanDerWaalsContact O-N 3.15Å; R84-E88 WeakPolarHBondContact O-CG 3.48Å; R84-E88 PolarHBondContact O-N 2.91Å; R84-E121 WeakPolarHBondContact CD-OE1 3.43Å; R84-E121 VanDerWaalsContact CG-OE1 3.26Å; R84-E121 WeakPolarHBondContact CG-OE1 2.87Å; R84-E121 IonicContact CZ-OE1 3.47Å; R84-E121 IonicContact CZ-OE2 3.93Å; R84-E121 VanDerWaalsContact NE-CD 3.3Å; R84-E121 IonicContact NE-OE1 2.79Å; R84-E121 PolarHBondContact NE-OE1 2.74Å; R84-E121 IonicContact NE-OE2 2.81Å; R84-E121 PolarHBondContact NE-OE2 3.47Å; R84-E121 IonicContact NH2-OE1 2.89Å; R84-E121 IonicContact NH2-OE2 2.84Å; R84-E121 PolarHBondContact NH2-OE2 2.86Å
85	K	88.3	Confident	86.1	Confident	140 Å²	140	56.8 Å²	56.8	61%	0.609	30%	0.3	S	S	*	.	H	α-helix	trans	-60.1	-41.6	179.8	-173.3	-178.8	176.7	-171.8	0	111.7	D81 V82 S89	D81-K85 WeakPolarHBondContact O-CB 3.32Å; D81-K85 PolarHBondContact O-N 2.95Å; V82-K85 PolarHBondContact O-N 3.22Å; K85-S89 WeakPolarHBondContact O-CB 3.34Å; K85-S89 PolarHBondContact O-N 2.95Å; K85-S89 VanDerWaalsContact O-N 3.09Å
86	E	84.5	Confident	86.4	Confident	29 Å²	29	54.6 Å²	54.6	14%	0.136	29%	0.288	C	S	.	.	H	α-helix	trans	-68.1	-41.5	174.8	-65.1	-50.3	117.4	0	0	111.7	V5 N52 V82 V83 R84 E88 S89 C90	V5-E86 HydrophobicContact CG2-CB 4.23Å; N52-E86 PolarHBondContact ND2-OE1 3.19Å; V82-E86 WeakPolarHBondContact O-CG 3.24Å; V82-E86 PolarHBondContact O-N 3.37Å; V83-E86 PolarHBondContact O-N 3.28Å; R84-E86 VanDerWaalsContact C-N 3.29Å; R84-E86 PolarHBondContact O-N 2.86Å; E86-E88 PolarHBondContact O-N 3.47Å; E86-S89 PolarHBondContact O-N 3.35Å; E86-S89 VanDerWaalsContact O-N 3.16Å; E86-S89 PolarHBondContact O-OG 3.49Å; E86-C90 PolarHBondContact O-N 3Å; E86-C90 PolarHBondContact O-SG 3.04Å
87	A	86.4	Confident	86.6	Confident	11 Å²	11	54.3 Å²	54.3	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-61.5	-41	176.6	0	0	0	0	0	112.4	V83 R84 S89 C90 L93 Y122	V83-A87 VanDerWaalsContact O-CB 3.31Å; V83-A87 WeakPolarHBondContact O-CB 3.4Å; V83-A87 PolarHBondContact O-N 3.5Å; R84-A87 PolarHBondContact O-N 3.28Å; R84-A87 VanDerWaalsContact O-N 3.15Å; A87-S89 VanDerWaalsContact C-N 3.32Å; A87-C90 WeakPolarHBondContact O-CB 3.29Å; A87-C90 PolarHBondContact O-N 3.35Å; A87-L93 HydrophobicContact CB-CD2 3.98Å; A87-Y122 HydrophobicContact CB-CE1 4.36Å
88	E	87.5	Confident	86.9	Confident	164 Å²	164	47.6 Å²	47.6	77%	0.766	26%	0.255	S	S	*	.	H	α-helix	trans	-68.5	-29.2	174.8	-73.1	-177.1	174.7	0	0	112.9	R84 E86 C90	R84-E88 WeakPolarHBondContact O-CG 3.48Å; R84-E88 PolarHBondContact O-N 2.91Å; E86-E88 PolarHBondContact O-N 3.47Å; E88-C90 PolarHBondContact O-N 3.07Å
89	S	83.9	Confident	87.2	Confident	70 Å²	70	44.3 Å²	44.3	49%	0.49	23%	0.232	S	C	.	.	H	α-helix	trans	-73.7	-15	175.6	80.1	0	0	0	0	113.6	K85 E86 A87	K85-S89 WeakPolarHBondContact O-CB 3.34Å; K85-S89 PolarHBondContact O-N 2.95Å; K85-S89 VanDerWaalsContact O-N 3.09Å; E86-S89 PolarHBondContact O-N 3.35Å; E86-S89 VanDerWaalsContact O-N 3.16Å; E86-S89 PolarHBondContact O-OG 3.49Å; A87-S89 VanDerWaalsContact C-N 3.32Å
90	C	82.4	Confident	87.5	Confident	26 Å²	26	43.2 Å²	43.2	18%	0.176	23%	0.226	C	C	.	.			trans	-84.4	134.6	179.5	-64.2	0	0	0	0	111.5	E3 E86 A87 E88 L93	E3-C90 HydrophobicContact CB-CB 3.91Å; E3-C90 VanDerWaalsContact CB-SG 3.53Å; E3-C90 HydrophobicContact CG-CB 4.16Å; E86-C90 PolarHBondContact O-N 3Å; E86-C90 PolarHBondContact O-SG 3.04Å; A87-C90 WeakPolarHBondContact O-CB 3.29Å; A87-C90 PolarHBondContact O-N 3.35Å; E88-C90 PolarHBondContact O-N 3.07Å; C90-L93 HydrophobicContact CB-CB 4.33Å
91	D	82.3	Confident	87.7	Confident	137 Å²	137	43.9 Å²	43.9	73%	0.733	23%	0.231	S	C	*	.	S	Bend	trans	-67.2	-40.6	173.1	-67.5	-31.4	0	0	0	112	M1	M1-D91 PolarHBondContact N-OD2 3.19Å
92	C	82.5	Confident	87.8	Confident	61 Å²	61	40.1 Å²	40.1	41%	0.412	21%	0.211	S	C	.	.	S	Bend	trans	-150.5	85.7	-179.8	-166.2	0	0	0	0	111.2	M1 E3 Q94	M1-C92 WeakPolarHBondContact O-CB 3.31Å; E3-C92 PolarHBondContact N-O 3.46Å; E3-C92 VanDerWaalsContact N-O 3.15Å; E3-C92 WeakPolarHBondContact OE2-CA 3.42Å; E3-C92 PolarHBondContact OE2-N 2.68Å; C92-Q94 PolarHBondContact O-N 2.96Å
93	L	85.9	Confident	87.7	Confident	10 Å²	10	37.8 Å²	37.8	5%	0.052	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	118.9	175.8	-177	66.9	0	0	0	111.6	V5 A87 C90 F96 R125	V5-L93 HydrophobicContact CB-CD1 4.45Å; V5-L93 HydrophobicContact CG2-CD1 3.73Å; A87-L93 HydrophobicContact CB-CD2 3.98Å; C90-L93 HydrophobicContact CB-CB 4.33Å; L93-F96 HydrophobicContact CD2-CE1 4.18Å; L93-F96 HydrophobicContact CD2-CE2 3.94Å; L93-F96 HydrophobicContact CD2-CZ 3.59Å; L93-R125 HydrophobicContact CD2-CG 4.34Å; L93-R125 WeakPolarHBondContact O-CD 3.28Å; L93-R125 VanDerWaalsContact O-CZ 3.28Å; L93-R125 PolarHBondContact O-NH1 3.17Å
94	Q	82.3	Confident	87.7	Confident	20 Å²	20	38.3 Å²	38.3	9%	0.093	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-45	172.2	-72	-176	-39.8	0	0	111.6	R2 E3 I4 C92 I126 D212 L213	R2-Q94 HydrophobicContact CB-CG 3.69Å; R2-Q94 HydrophobicContact CG-CG 4.17Å; E3-Q94 PolarHBondContact O-N 3.15Å; I4-Q94 HydrophobicContact CG1-CB 4.2Å; C92-Q94 PolarHBondContact O-N 2.96Å; Q94-I126 PolarHBondContact O-N 3.41Å; Q94-D212 VanDerWaalsContact CD-OD1 3.31Å; Q94-D212 PolarHBondContact NE2-OD1 3.06Å; Q94-L213 HydrophobicContact CB-CD1 4.43Å
95	G	88.3	Confident	87.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173	-177.7	-167.2	0	0	0	0	0	113.2	V5 I126	V5-G95 PolarHBondContact N-O 2.82Å; G95-I126 CarbonylContact C-O 3.55Å; G95-I126 WeakPolarHBondContact CA-O 3.41Å
96	F	91.6	Very high	87.6	Confident	5 Å²	5	30 Å²	30	2%	0.022	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.7	178.7	-59.7	-85.3	0	0	0	109.1	V5 V83 L93 I118 Y122 R125 I126 N128	V5-F96 HydrophobicContact CB-CD1 3.81Å; V5-F96 HydrophobicContact CB-CE1 4.09Å; V5-F96 HydrophobicContact CG1-CD1 4.12Å; V5-F96 HydrophobicContact CG1-CE1 4.37Å; V5-F96 HydrophobicContact CG2-CE1 4.41Å; V5-F96 WeakPolarHBondContact O-CA 3.26Å; V83-F96 HydrophobicContact CG1-CD1 4.15Å; V83-F96 HydrophobicContact CG1-CE1 3.49Å; V83-F96 VanDerWaalsContact CG1-CE1 3.49Å; V83-F96 HydrophobicContact CG1-CZ 4.23Å; L93-F96 HydrophobicContact CD2-CE1 4.18Å; L93-F96 HydrophobicContact CD2-CE2 3.94Å; L93-F96 HydrophobicContact CD2-CZ 3.59Å; F96-I118 HydrophobicContact CB-CG2 4.41Å; F96-I118 HydrophobicContact CD1-CD1 4.2Å; F96-I118 HydrophobicContact CD1-CG2 4.38Å; F96-I118 HydrophobicContact CD2-CG2 3.25Å; F96-I118 HydrophobicContact CE2-CG2 3.43Å; F96-I118 VanDerWaalsContact CE2-CG2 3.43Å; F96-I118 HydrophobicContact CG-CD1 4.25Å; F96-I118 HydrophobicContact CG-CG2 3.76Å; F96-I118 HydrophobicContact CZ-CG2 4.07Å; F96-Y122 AromaticContact CE2-CD2 3.85Å; F96-Y122 HydrophobicContact CE2-CD2 3.85Å; F96-Y122 AromaticContact CE2-CG 3.84Å; F96-Y122 HydrophobicContact CE2-CG 3.84Å; F96-Y122 HydrophobicContact CZ-CD1 4.49Å; F96-Y122 AromaticContact CZ-CD2 3.67Å; F96-Y122 HydrophobicContact CZ-CD2 3.67Å; F96-Y122 HydrophobicContact CZ-CE2 4Å; F96-Y122 AromaticContact CZ-CG 3.96Å; F96-Y122 HydrophobicContact CZ-CG 3.96Å; F96-R125 HydrophobicContact CD2-CB 4.38Å; F96-R125 HydrophobicContact CE2-CB 4.17Å; F96-R125 HydrophobicContact CE2-CG 4.48Å; F96-I126 PolarHBondContact N-O 3.27Å; F96-N128 PolarHBondContact O-N 3.38Å
97	Q	90.5	Very high	87.7	Confident	8 Å²	8	28.8 Å²	28.8	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.7	172	-172.6	177.8	-37.1	0	0	108	I4 V5 L6 T7 N128 F130	I4-Q97 HydrophobicContact CG2-CB 3.86Å; V5-Q97 PolarHBondContact O-N 3.38Å; L6-Q97 CarbonylContact C-O 3.6Å; L6-Q97 VanDerWaalsContact CA-O 3.31Å; L6-Q97 WeakPolarHBondContact CA-O 3.47Å; L6-Q97 HydrophobicContact CD1-CB 3.79Å; L6-Q97 HydrophobicContact CD1-CG 3.6Å; L6-Q97 WeakPolarHBondContact CD1-O 3.33Å; T7-Q97 PolarHBondContact N-O 3.37Å; Q97-N128 CarbonylContact C-O 3.52Å; Q97-N128 WeakPolarHBondContact CA-O 3.47Å; Q97-F130 VanDerWaalsContact CD-CE2 3.45Å; Q97-F130 HydrophobicContact CG-CD2 3.85Å; Q97-F130 HydrophobicContact CG-CE2 3.72Å
98	L	92.5	Very high	87.9	Confident	5 Å²	5	28.3 Å²	28.3	3%	0.026	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.5	177.7	-176.9	69.6	0	0	0	110	T7 I9 H100 L114 L115 N128 T129 F130	T7-L98 HydrophobicContact CG2-CD1 4.11Å; T7-L98 CarbonylContact O-C 3.56Å; T7-L98 WeakPolarHBondContact O-CA 3.36Å; I9-L98 HydrophobicContact CB-CD1 4.49Å; I9-L98 HydrophobicContact CD1-CD1 3.43Å; I9-L98 VanDerWaalsContact CD1-CD1 3.43Å; I9-L98 HydrophobicContact CG1-CD1 3.72Å; L98-H100 HydrophobicContact CD2-CB 4.36Å; L98-H100 HydrophobicContact CG-CB 4.35Å; L98-L114 HydrophobicContact CD1-CD2 4.49Å; L98-L115 HydrophobicContact CB-CD2 4.22Å; L98-L115 HydrophobicContact CD2-CD1 3.74Å; L98-L115 HydrophobicContact CD2-CD2 3.72Å; L98-L115 HydrophobicContact CD2-CG 3.67Å; L98-N128 PolarHBondContact N-O 2.79Å; L98-T129 HydrophobicContact CB-CG2 4.21Å; L98-T129 CarbonylContact O-C 3.52Å; L98-T129 WeakPolarHBondContact O-CA 3.39Å; L98-F130 PolarHBondContact O-N 2.83Å
99	T	92.7	Very high	88.1	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.1	168.9	-49.2	0	0	0	0	109.5	T7 I9 G13 I16 F130 I132 M196	T7-T99 PolarHBondContact O-N 3.04Å; I9-T99 PolarHBondContact N-O 3.28Å; G13-T99 WeakPolarHBondContact CA-O 3.42Å; I16-T99 HydrophobicContact CB-CG2 4.18Å; I16-T99 HydrophobicContact CG2-CG2 3.88Å; T99-F130 HydrophobicContact CG2-CB 4.21Å; T99-I132 HydrophobicContact CG2-CD1 4.45Å; T99-M196 HydrophobicContact CG2-CE 4.32Å; T99-M196 WeakPolarHBondContact OG1-CE 3.2Å
100	H	93.8	Very high	88.4	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	164.7	-174.5	75.2	151.9	0	0	0	112.5	I9 L98 G107 F130 S131 I132	I9-H100 HydrophobicContact CB-CB 4.45Å; L98-H100 HydrophobicContact CD2-CB 4.36Å; L98-H100 HydrophobicContact CG-CB 4.35Å; H100-G107 WeakPolarHBondContact CB-O 3.38Å; H100-G107 PolarHBondContact ND1-O 2.84Å; H100-F130 PolarHBondContact N-O 3.03Å; H100-F130 VanDerWaalsContact N-O 3.09Å; H100-F130 VanDerWaalsContact O-O 3.13Å; H100-S131 PolarHBondContact CD2-OG 2.81Å; H100-S131 PolarHBondContact NE2-OG 2.93Å; H100-I132 WeakPolarHBondContact O-CD1 3.34Å; H100-I132 PolarHBondContact O-N 2.94Å
101	S	92.1	Very high	88.8	Confident	18 Å²	18	16.9 Å²	16.9	13%	0.126	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.8	172.5	174.4	0	0	0	0	110.4	G103 G107 S108 I132	S101-G103 PolarHBondContact OG-N 2.79Å; S101-G107 CarbonylContact O-C 3.24Å; S101-G107 VanDerWaalsContact O-C 3.24Å; S101-S108 PolarHBondContact O-N 3.31Å; S101-S108 VanDerWaalsContact O-N 3.16Å; S101-I132 PolarHBondContact OG-O 3.43Å
102	L	90.9	Very high	89.2	Confident	3 Å²	3	10.4 Å²	10.4	2%	0.016	7%	0.066	C	C	.	.	S	Bend	trans	-81.2	-19.7	178.6	-53.9	-176.1	0	0	0	112.9	S108 I132 L133 N147 A148 V152 L155	L102-S108 WeakPolarHBondContact O-CB 3.33Å; L102-I132 PolarHBondContact N-O 2.98Å; L102-L133 HydrophobicContact CD1-CD2 4.28Å; L102-L133 HydrophobicContact CD1-CG 4.15Å; L102-N147 CarbonylContact O-C 3.26Å; L102-N147 VanDerWaalsContact O-C 3.26Å; L102-N147 VanDerWaalsContact O-CB 3.26Å; L102-N147 WeakPolarHBondContact O-CB 3.45Å; L102-A148 HydrophobicContact CB-CB 4.25Å; L102-A148 PolarHBondContact O-N 2.65Å; L102-V152 HydrophobicContact CD1-CG2 4.12Å; L102-L155 HydrophobicContact CD1-CD1 4.27Å; L102-L155 HydrophobicContact CD2-CD1 3.66Å
103	G	86	Confident	89.7	Confident	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-83	-27.2	-178.2	0	0	0	0	0	114.5	S101 N147	S101-G103 PolarHBondContact OG-N 2.79Å; G103-N147 PolarHBondContact O-ND2 3.29Å
104	G	87.7	Confident	90	Very high	17 Å²	17	8.2 Å²	8.2	18%	0.175	5%	0.05	C	C	.	.	S	Bend	trans	-71.8	-177.9	178.9	0	0	0	0	0	112.8	S108 N147	G104-S108 WeakPolarHBondContact O-CB 3.43Å; G104-S108 PolarHBondContact O-OG 3.25Å; G104-N147 PolarHBondContact O-ND2 2.62Å
105	G	87	Confident	90.5	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.01	5%	0.047	C	C	.	.	S	Bend	trans	-96.6	-42.8	171.3	0	0	0	0	0	112.8	N63 S108 G109	N63-G105 WeakPolarHBondContact O-CA 3.32Å; G105-S108 PolarHBondContact O-OG 2.84Å; G105-G109 PolarHBondContact O-N 3.15Å
106	T	88.5	Confident	90.7	Very high	45 Å²	45	8.7 Å²	8.7	28%	0.276	6%	0.056	S	C	.	.	I	π-helix	trans	-75.1	-48.7	179.4	-50.9	0	0	0	0	111.6	I9 A60 S108 M110 G111	I9-T106 HydrophobicContact CG2-CG2 4.21Å; I9-T106 WeakPolarHBondContact CG2-O 3.23Å; A60-T106 WeakPolarHBondContact CB-OG1 3.49Å; A60-T106 PolarHBondContact N-OG1 3.08Å; T106-S108 PolarHBondContact O-N 3.38Å; T106-M110 HydrophobicContact CG2-CB 4.36Å; T106-M110 HydrophobicContact CG2-SD 4.16Å; T106-M110 VanDerWaalsContact O-CB 3.26Å; T106-M110 WeakPolarHBondContact O-CB 3.3Å; T106-M110 PolarHBondContact O-N 3.07Å; T106-G111 PolarHBondContact O-N 3.39Å
107	G	87.8	Confident	90.7	Very high	4 Å²	4	12.1 Å²	12.1	4%	0.041	7%	0.071	C	C	.	.	I	π-helix	trans	-60.9	-36.2	-179.9	0	0	0	0	0	112.9	H100 S101	H100-G107 WeakPolarHBondContact CB-O 3.38Å; H100-G107 PolarHBondContact ND1-O 2.84Å; S101-G107 CarbonylContact O-C 3.24Å; S101-G107 VanDerWaalsContact O-C 3.24Å
108	S	90.4	Very high	90.8	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.	I	π-helix	trans	-81.8	-69.5	-177.5	69.7	0	0	0	0	109.9	S101 L102 G104 G105 T106 G111 T112 S151	S101-S108 PolarHBondContact O-N 3.31Å; S101-S108 VanDerWaalsContact O-N 3.16Å; L102-S108 WeakPolarHBondContact O-CB 3.33Å; G104-S108 WeakPolarHBondContact O-CB 3.43Å; G104-S108 PolarHBondContact O-OG 3.25Å; G105-S108 PolarHBondContact O-OG 2.84Å; T106-S108 PolarHBondContact O-N 3.38Å; S108-G111 PolarHBondContact O-N 3.18Å; S108-T112 WeakPolarHBondContact O-CB 3.23Å; S108-T112 WeakPolarHBondContact O-CG2 3.48Å; S108-T112 PolarHBondContact O-N 2.91Å; S108-T112 PolarHBondContact O-OG1 3.23Å; S108-T112 VanDerWaalsContact O-OG1 3.06Å; S108-S151 WeakPolarHBondContact CB-OG 3Å
109	G	90.6	Very high	90.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.	I	π-helix	trans	-67.3	-49.7	-171.8	0	0	0	0	0	114.6	W64 G67 H68 G105 G111 T112 L113	W64-G109 VanDerWaalsContact CD1-CA 3.41Å; W64-G109 VanDerWaalsContact CD1-N 3.28Å; G67-G109 CarbonylContact O-C 3.56Å; H68-G109 PolarHBondContact ND1-O 2.87Å; G105-G109 PolarHBondContact O-N 3.15Å; G109-G111 VanDerWaalsContact C-N 3.31Å; G109-T112 PolarHBondContact O-OG1 3.25Å; G109-L113 WeakPolarHBondContact O-CB 3.26Å; G109-L113 PolarHBondContact O-N 2.75Å; G109-L113 VanDerWaalsContact O-N 3.1Å
110	M	90.4	Very high	90.7	Very high	21 Å²	21	21.3 Å²	21.3	10%	0.103	11%	0.11	C	C	.	.	I	π-helix	trans	-70.2	-34.2	177	-173.7	-173	177.9	0	0	110.7	G67 L75 M76 V79 T106 L113 L114	G67-M110 VanDerWaalsContact O-CA 3.26Å; G67-M110 WeakPolarHBondContact O-CA 3.31Å; G67-M110 PolarHBondContact O-N 3.26Å; L75-M110 HydrophobicContact CB-CE 3.86Å; M76-M110 HydrophobicContact CE-CG 4.16Å; V79-M110 HydrophobicContact CG2-CE 3.77Å; T106-M110 HydrophobicContact CG2-CB 4.36Å; T106-M110 HydrophobicContact CG2-SD 4.16Å; T106-M110 VanDerWaalsContact O-CB 3.26Å; T106-M110 WeakPolarHBondContact O-CB 3.3Å; T106-M110 PolarHBondContact O-N 3.07Å; M110-L113 PolarHBondContact O-N 2.71Å; M110-L114 WeakPolarHBondContact O-CB 3.46Å; M110-L114 PolarHBondContact O-N 3.07Å
111	G	90.4	Very high	90.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.4	-43.9	177.5	0	0	0	0	0	113.1	T106 S108 G109 L114 L115	T106-G111 PolarHBondContact O-N 3.39Å; S108-G111 PolarHBondContact O-N 3.18Å; G109-G111 VanDerWaalsContact C-N 3.31Å; G111-L114 PolarHBondContact O-N 3.31Å; G111-L115 VanDerWaalsContact O-CG 3.32Å; G111-L115 WeakPolarHBondContact O-CG 3.47Å; G111-L115 PolarHBondContact O-N 3.08Å
112	T	91.9	Very high	90.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.9	-36.6	176.8	56	0	0	0	0	112.1	H68 S108 G109 L114 L115 S116 Q154	H68-T112 PolarHBondContact ND1-OG1 3.32Å; S108-T112 WeakPolarHBondContact O-CB 3.23Å; S108-T112 WeakPolarHBondContact O-CG2 3.48Å; S108-T112 PolarHBondContact O-N 2.91Å; S108-T112 PolarHBondContact O-OG1 3.23Å; S108-T112 VanDerWaalsContact O-OG1 3.06Å; G109-T112 PolarHBondContact O-OG1 3.25Å; T112-L114 VanDerWaalsContact C-N 3.32Å; T112-L114 PolarHBondContact O-N 3.43Å; T112-L115 PolarHBondContact O-N 2.93Å; T112-S116 PolarHBondContact O-N 3.23Å; T112-S116 VanDerWaalsContact O-N 3.1Å; T112-Q154 HydrophobicContact CG2-CB 3.82Å; T112-Q154 HydrophobicContact CG2-CG 4.44Å
113	L	92.3	Very high	90.6	Very high	23 Å²	23	29.2 Å²	29.2	12%	0.12	15%	0.15	C	C	.	.	H	α-helix	trans	-60.6	-43.9	172.4	-173.7	68.1	0	0	0	111.2	H68 A73 M76 G109 M110 L115 S116 K117	H68-L113 WeakPolarHBondContact O-CD2 3.44Å; A73-L113 HydrophobicContact CB-CD2 4.23Å; M76-L113 HydrophobicContact CB-CD2 4.27Å; M76-L113 HydrophobicContact CE-CB 3.8Å; M76-L113 HydrophobicContact CE-CD2 3.61Å; M76-L113 HydrophobicContact CE-CG 3.66Å; M76-L113 HydrophobicContact CG-CD2 4.24Å; G109-L113 WeakPolarHBondContact O-CB 3.26Å; G109-L113 PolarHBondContact O-N 2.75Å; G109-L113 VanDerWaalsContact O-N 3.1Å; M110-L113 PolarHBondContact O-N 2.71Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L115 PolarHBondContact O-N 2.76Å; L113-S116 PolarHBondContact O-N 2.89Å; L113-K117 WeakPolarHBondContact O-CG 3.4Å; L113-K117 PolarHBondContact O-N 2.72Å; L113-K117 VanDerWaalsContact O-N 3.07Å
114	L	91.9	Very high	90.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-43.5	177.7	-174.6	68.5	0	0	0	111.2	T7 I9 M76 V79 M80 L98 M110 G111 T112 S116 K117 I118	T7-L114 HydrophobicContact CG2-CD2 3.66Å; I9-L114 HydrophobicContact CD1-CB 4.26Å; I9-L114 HydrophobicContact CD1-CD2 3.63Å; M76-L114 HydrophobicContact CE-CB 3.78Å; M76-L114 HydrophobicContact CE-CD1 4.21Å; M76-L114 HydrophobicContact SD-CB 4.16Å; M76-L114 HydrophobicContact SD-CD1 3.48Å; M76-L114 WeakPolarHBondContact SD-CD1 3.19Å; M76-L114 HydrophobicContact SD-CG 4.43Å; V79-L114 HydrophobicContact CG1-CD1 4.06Å; V79-L114 HydrophobicContact CG1-CD2 4.4Å; M80-L114 HydrophobicContact CG-CD1 4.19Å; M80-L114 HydrophobicContact SD-CD1 3.47Å; M80-L114 WeakPolarHBondContact SD-CD1 3.38Å; L98-L114 HydrophobicContact CD1-CD2 4.49Å; M110-L114 WeakPolarHBondContact O-CB 3.46Å; M110-L114 PolarHBondContact O-N 3.07Å; G111-L114 PolarHBondContact O-N 3.31Å; T112-L114 VanDerWaalsContact C-N 3.32Å; T112-L114 PolarHBondContact O-N 3.43Å; L114-S116 PolarHBondContact O-N 3.03Å; L114-K117 PolarHBondContact O-N 3.47Å; L114-I118 HydrophobicContact CD1-CD1 4.11Å; L114-I118 HydrophobicContact CD1-CG1 4.25Å; L114-I118 HydrophobicContact CD2-CD1 4.05Å; L114-I118 HydrophobicContact CG-CD1 3.7Å; L114-I118 HydrophobicContact CG-CG1 4.19Å; L114-I118 WeakPolarHBondContact O-CB 3.43Å; L114-I118 VanDerWaalsContact O-CG1 3.3Å; L114-I118 WeakPolarHBondContact O-CG1 3.34Å; L114-I118 PolarHBondContact O-N 2.81Å
115	L	92.4	Very high	90.8	Very high	4 Å²	4	39 Å²	39	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-59.1	-46.6	178.9	-69.7	168.9	0	0	0	111.7	L98 G111 T112 L113 K117 I118 R119 I127 T129 L155 N158	L98-L115 HydrophobicContact CB-CD2 4.22Å; L98-L115 HydrophobicContact CD2-CD1 3.74Å; L98-L115 HydrophobicContact CD2-CD2 3.72Å; L98-L115 HydrophobicContact CD2-CG 3.67Å; G111-L115 VanDerWaalsContact O-CG 3.32Å; G111-L115 WeakPolarHBondContact O-CG 3.47Å; G111-L115 PolarHBondContact O-N 3.08Å; T112-L115 PolarHBondContact O-N 2.93Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L115 PolarHBondContact O-N 2.76Å; L115-K117 PolarHBondContact O-N 2.82Å; L115-I118 PolarHBondContact O-N 2.91Å; L115-R119 WeakPolarHBondContact O-CB 3.08Å; L115-R119 PolarHBondContact O-N 3.39Å; L115-I127 HydrophobicContact CD2-CG2 3.32Å; L115-T129 HydrophobicContact CD1-CG2 3.98Å; L115-T129 HydrophobicContact CD2-CG2 3.85Å; L115-L155 HydrophobicContact CD1-CD2 3.51Å; L115-N158 HydrophobicContact CB-CB 4.3Å
116	S	92.3	Very high	90.9	Very high	26 Å²	26	39.3 Å²	39.3	18%	0.182	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-45.4	177	175.4	0	0	0	0	111.5	T112 L113 L114 I118 R119 E120	T112-S116 PolarHBondContact O-N 3.23Å; T112-S116 VanDerWaalsContact O-N 3.1Å; L113-S116 PolarHBondContact O-N 2.89Å; L114-S116 PolarHBondContact O-N 3.03Å; S116-I118 PolarHBondContact O-N 3.11Å; S116-R119 PolarHBondContact O-N 2.92Å; S116-E120 WeakPolarHBondContact O-CG 3.45Å; S116-E120 PolarHBondContact O-N 3.13Å
117	K	92	Very high	91.1	Very high	78 Å²	78	37.2 Å²	37.2	34%	0.339	18%	0.18	S	C	.	.	H	α-helix	trans	-65.5	-40.1	178.3	-69.7	-71.3	154.5	-147.9	0	113.2	M76 M80 L113 L114 L115 R119 E120 E121	M76-K117 HydrophobicContact CG-CG 4.34Å; M80-K117 HydrophobicContact CE-CB 4.37Å; M80-K117 HydrophobicContact SD-CB 4.08Å; L113-K117 WeakPolarHBondContact O-CG 3.4Å; L113-K117 PolarHBondContact O-N 2.72Å; L113-K117 VanDerWaalsContact O-N 3.07Å; L114-K117 PolarHBondContact O-N 3.47Å; L115-K117 PolarHBondContact O-N 2.82Å; K117-R119 VanDerWaalsContact C-N 3.33Å; K117-E120 IonicContact NZ-OE1 3.27Å; K117-E120 PolarHBondContact NZ-OE1 2.88Å; K117-E120 IonicContact NZ-OE2 3.38Å; K117-E120 PolarHBondContact NZ-OE2 3.33Å; K117-E120 PolarHBondContact O-N 3.08Å; K117-E121 PolarHBondContact O-N 3.27Å; K117-E121 VanDerWaalsContact O-N 3.12Å
118	I	92.4	Very high	91.3	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-64.1	-40.8	174.4	-71.7	175.8	0	0	0	110.3	M80 V83 F96 L114 L115 S116 E121 Y122 I127	M80-I118 HydrophobicContact CE-CG1 4.37Å; M80-I118 HydrophobicContact SD-CG1 4.02Å; V83-I118 HydrophobicContact CG1-CD1 4.42Å; F96-I118 HydrophobicContact CB-CG2 4.41Å; F96-I118 HydrophobicContact CD1-CD1 4.2Å; F96-I118 HydrophobicContact CD1-CG2 4.38Å; F96-I118 HydrophobicContact CD2-CG2 3.25Å; F96-I118 HydrophobicContact CE2-CG2 3.43Å; F96-I118 VanDerWaalsContact CE2-CG2 3.43Å; F96-I118 HydrophobicContact CG-CD1 4.25Å; F96-I118 HydrophobicContact CG-CG2 3.76Å; F96-I118 HydrophobicContact CZ-CG2 4.07Å; L114-I118 HydrophobicContact CD1-CD1 4.11Å; L114-I118 HydrophobicContact CD1-CG1 4.25Å; L114-I118 HydrophobicContact CD2-CD1 4.05Å; L114-I118 HydrophobicContact CG-CD1 3.7Å; L114-I118 HydrophobicContact CG-CG1 4.19Å; L114-I118 WeakPolarHBondContact O-CB 3.43Å; L114-I118 VanDerWaalsContact O-CG1 3.3Å; L114-I118 WeakPolarHBondContact O-CG1 3.34Å; L114-I118 PolarHBondContact O-N 2.81Å; L115-I118 PolarHBondContact O-N 2.91Å; S116-I118 PolarHBondContact O-N 3.11Å; I118-E121 PolarHBondContact O-N 3.21Å; I118-Y122 HydrophobicContact CG2-CD2 4.49Å; I118-Y122 WeakPolarHBondContact O-CA 3.2Å; I118-Y122 WeakPolarHBondContact O-CB 3.5Å; I118-Y122 PolarHBondContact O-N 2.79Å; I118-I127 HydrophobicContact CG2-CD1 3.91Å; I118-I127 HydrophobicContact CG2-CG1 4.32Å
119	R	91.7	Very high	91.5	Very high	76 Å²	76	37.2 Å²	37.2	29%	0.287	18%	0.179	S	C	.	.	H	α-helix	trans	-66.5	-37.4	178.6	-172.7	60.3	173.3	-150.3	-9	112.5	L115 S116 K117 P123 I127 D160	L115-R119 WeakPolarHBondContact O-CB 3.08Å; L115-R119 PolarHBondContact O-N 3.39Å; S116-R119 PolarHBondContact O-N 2.92Å; K117-R119 VanDerWaalsContact C-N 3.33Å; R119-P123 WeakPolarHBondContact O-CA 3.43Å; R119-I127 HydrophobicContact CB-CD1 3.9Å; R119-D160 IonicContact CZ-OD1 2.69Å; R119-D160 IonicContact NH1-OD1 3.55Å; R119-D160 PolarHBondContact NH1-OD1 3.5Å; R119-D160 IonicContact NH1-OD2 2.77Å; R119-D160 PolarHBondContact NH1-OD2 3.49Å; R119-D160 IonicContact NH2-OD1 3.65Å
120	E	92.3	Very high	91.7	Very high	125 Å²	125	37.3 Å²	37.3	58%	0.584	18%	0.179	S	C	*	.	H	α-helix	trans	-63.1	-43.8	173.7	-74.3	174.9	-179.7	0	0	112.2	S116 K117	S116-E120 WeakPolarHBondContact O-CG 3.45Å; S116-E120 PolarHBondContact O-N 3.13Å; K117-E120 IonicContact NZ-OE1 3.27Å; K117-E120 PolarHBondContact NZ-OE1 2.88Å; K117-E120 IonicContact NZ-OE2 3.38Å; K117-E120 PolarHBondContact NZ-OE2 3.33Å; K117-E120 PolarHBondContact O-N 3.08Å
121	E	92.6	Very high	91.8	Very high	71 Å²	71	36.3 Å²	36.3	33%	0.332	17%	0.174	S	C	.	.	H	α-helix	trans	-83.8	-33.9	-175.5	-167.1	172.3	161.9	0	0	113.1	M80 R84 K117 I118 P123	M80-E121 WeakPolarHBondContact CE-OE2 3.03Å; R84-E121 WeakPolarHBondContact CD-OE1 3.43Å; R84-E121 VanDerWaalsContact CG-OE1 3.26Å; R84-E121 WeakPolarHBondContact CG-OE1 2.87Å; R84-E121 IonicContact CZ-OE1 3.47Å; R84-E121 IonicContact CZ-OE2 3.93Å; R84-E121 VanDerWaalsContact NE-CD 3.3Å; R84-E121 IonicContact NE-OE1 2.79Å; R84-E121 PolarHBondContact NE-OE1 2.74Å; R84-E121 IonicContact NE-OE2 2.81Å; R84-E121 PolarHBondContact NE-OE2 3.47Å; R84-E121 IonicContact NH2-OE1 2.89Å; R84-E121 IonicContact NH2-OE2 2.84Å; R84-E121 PolarHBondContact NH2-OE2 2.86Å; K117-E121 PolarHBondContact O-N 3.27Å; K117-E121 VanDerWaalsContact O-N 3.12Å; I118-E121 PolarHBondContact O-N 3.21Å; E121-P123 VanDerWaalsContact C-CD 3.48Å; E121-P123 WeakPolarHBondContact O-CD 3.25Å
122	Y	91.9	Very high	91.9	Very high	43 Å²	43	36.3 Å²	36.3	17%	0.169	17%	0.174	C	C	.	.			trans	-126.6	64.9	-176.5	-59.5	-81.4	0	0	0	112.1	A87 F96 I118 D124 R125	A87-Y122 HydrophobicContact CB-CE1 4.36Å; F96-Y122 AromaticContact CE2-CD2 3.85Å; F96-Y122 HydrophobicContact CE2-CD2 3.85Å; F96-Y122 AromaticContact CE2-CG 3.84Å; F96-Y122 HydrophobicContact CE2-CG 3.84Å; F96-Y122 HydrophobicContact CZ-CD1 4.49Å; F96-Y122 AromaticContact CZ-CD2 3.67Å; F96-Y122 HydrophobicContact CZ-CD2 3.67Å; F96-Y122 HydrophobicContact CZ-CE2 4Å; F96-Y122 AromaticContact CZ-CG 3.96Å; F96-Y122 HydrophobicContact CZ-CG 3.96Å; I118-Y122 HydrophobicContact CG2-CD2 4.49Å; I118-Y122 WeakPolarHBondContact O-CA 3.2Å; I118-Y122 WeakPolarHBondContact O-CB 3.5Å; I118-Y122 PolarHBondContact O-N 2.79Å; Y122-D124 VanDerWaalsContact C-N 3.27Å; Y122-D124 PolarHBondContact O-N 3.44Å; Y122-R125 HydrophobicContact CD1-CG 4.42Å; Y122-R125 PolarHBondContact O-N 3.25Å
123	P	89.9	Confident	91.8	Very high	74 Å²	74	36.5 Å²	36.5	48%	0.481	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-28.3	-175.1	26.2	-35.7	0	0	0	113.7	R119 E121 R125	R119-P123 WeakPolarHBondContact O-CA 3.43Å; E121-P123 VanDerWaalsContact C-CD 3.48Å; E121-P123 WeakPolarHBondContact O-CD 3.25Å; P123-R125 VanDerWaalsContact C-N 3.29Å; P123-R125 PolarHBondContact O-N 2.83Å
124	D	88	Confident	91.4	Very high	130 Å²	130	36 Å²	36	70%	0.695	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	2.7	-178.3	-65.6	-36.6	0	0	0	113.6	Y122 R214	Y122-D124 VanDerWaalsContact C-N 3.27Å; Y122-D124 PolarHBondContact O-N 3.44Å; D124-R214 PolarHBondContact O-NH2 3.22Å
125	R	89.7	Confident	90.8	Very high	93 Å²	93	35.9 Å²	35.9	35%	0.351	17%	0.173	S	C	.	.	S	Bend	trans	-104.1	143.6	-176.7	-59.2	-59.2	178.2	-167.4	-8.6	110.6	L93 F96 Y122 P123	L93-R125 HydrophobicContact CD2-CG 4.34Å; L93-R125 WeakPolarHBondContact O-CD 3.28Å; L93-R125 VanDerWaalsContact O-CZ 3.28Å; L93-R125 PolarHBondContact O-NH1 3.17Å; F96-R125 HydrophobicContact CD2-CB 4.38Å; F96-R125 HydrophobicContact CE2-CB 4.17Å; F96-R125 HydrophobicContact CE2-CG 4.48Å; Y122-R125 HydrophobicContact CD1-CG 4.42Å; Y122-R125 PolarHBondContact O-N 3.25Å; P123-R125 VanDerWaalsContact C-N 3.29Å; P123-R125 PolarHBondContact O-N 2.83Å
126	I	89.8	Confident	89.8	Confident	7 Å²	7	39.4 Å²	39.4	4%	0.036	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.2	179.4	-65.5	-65.1	0	0	0	109.5	Q94 G95 F96 N128 D160 L213 R214 A217	Q94-I126 PolarHBondContact O-N 3.41Å; G95-I126 CarbonylContact C-O 3.55Å; G95-I126 WeakPolarHBondContact CA-O 3.41Å; F96-I126 PolarHBondContact N-O 3.27Å; I126-N128 WeakPolarHBondContact CG2-OD1 3.36Å; I126-D160 WeakPolarHBondContact CA-OD2 3.36Å; I126-D160 HydrophobicContact CD1-CB 4.33Å; I126-D160 HydrophobicContact CG2-CB 4.35Å; I126-L213 HydrophobicContact CB-CB 4.38Å; I126-L213 HydrophobicContact CG2-CB 4.09Å; I126-R214 HydrophobicContact CD1-CB 4.43Å; I126-R214 HydrophobicContact CD1-CG 4.49Å; I126-R214 HydrophobicContact CG1-CB 4.02Å; I126-A217 HydrophobicContact CD1-CB 4.45Å
127	I	93	Very high	88.9	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.7	177.2	-60.5	178.9	0	0	0	109.1	L115 I118 R119 T129 D160 E161	L115-I127 HydrophobicContact CD2-CG2 3.32Å; I118-I127 HydrophobicContact CG2-CD1 3.91Å; I118-I127 HydrophobicContact CG2-CG1 4.32Å; R119-I127 HydrophobicContact CB-CD1 3.9Å; I127-T129 HydrophobicContact CG2-CG2 4.44Å; I127-D160 PolarHBondContact N-OD2 2.86Å; I127-D160 PolarHBondContact O-N 2.88Å; I127-E161 PolarHBondContact O-N 2.89Å
128	N	91.8	Very high	88	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.7	178.5	-79	22.5	0	0	0	110.6	F96 Q97 L98 I126 E161 L213	F96-N128 PolarHBondContact O-N 3.38Å; Q97-N128 CarbonylContact C-O 3.52Å; Q97-N128 WeakPolarHBondContact CA-O 3.47Å; L98-N128 PolarHBondContact N-O 2.79Å; I126-N128 WeakPolarHBondContact CG2-OD1 3.36Å; N128-E161 CarbonylContact C-O 3.51Å; N128-E161 WeakPolarHBondContact CA-O 3.28Å; N128-E161 VanDerWaalsContact CG-OE2 3.3Å; N128-E161 PolarHBondContact ND2-OE2 2.85Å; N128-E161 WeakPolarHBondContact OD1-CB 3.21Å; N128-E161 PolarHBondContact OD1-OE2 2.99Å; N128-L213 WeakPolarHBondContact ND2-CD2 3.39Å
129	T	93.8	Very high	87	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.9	178.2	69.8	0	0	0	0	111.1	L98 L115 I127 S131 L155 A159 E161 T162 F163	L98-T129 HydrophobicContact CB-CG2 4.21Å; L98-T129 CarbonylContact O-C 3.52Å; L98-T129 WeakPolarHBondContact O-CA 3.39Å; L115-T129 HydrophobicContact CD1-CG2 3.98Å; L115-T129 HydrophobicContact CD2-CG2 3.85Å; I127-T129 HydrophobicContact CG2-CG2 4.44Å; T129-S131 PolarHBondContact OG1-OG 2.86Å; T129-L155 HydrophobicContact CG2-CD2 3.84Å; T129-A159 HydrophobicContact CG2-CB 3.99Å; T129-E161 PolarHBondContact N-O 3.41Å; T129-T162 WeakPolarHBondContact OG1-CA 3.43Å; T129-T162 WeakPolarHBondContact OG1-CB 3.48Å; T129-T162 VanDerWaalsContact OG1-CG2 3.3Å; T129-T162 WeakPolarHBondContact OG1-CG2 3.19Å; T129-T162 PolarHBondContact OG1-OG1 2.89Å; T129-T162 VanDerWaalsContact OG1-OG1 3.04Å; T129-F163 PolarHBondContact O-N 2.9Å
130	F	94.2	Very high	86.1	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	99.7	165.5	-71.9	-86.2	0	0	0	106.7	Q97 L98 T99 H100 F163 I165 M196 V199	Q97-F130 VanDerWaalsContact CD-CE2 3.45Å; Q97-F130 HydrophobicContact CG-CD2 3.85Å; Q97-F130 HydrophobicContact CG-CE2 3.72Å; L98-F130 PolarHBondContact O-N 2.83Å; T99-F130 HydrophobicContact CG2-CB 4.21Å; H100-F130 PolarHBondContact N-O 3.03Å; H100-F130 VanDerWaalsContact N-O 3.09Å; H100-F130 VanDerWaalsContact O-O 3.13Å; F130-F163 HydrophobicContact CD1-CB 3.64Å; F130-F163 AromaticContact CD1-CD2 4Å; F130-F163 HydrophobicContact CD1-CD2 4Å; F130-F163 AromaticContact CD1-CG 3.99Å; F130-F163 HydrophobicContact CD1-CG 3.99Å; F130-F163 HydrophobicContact CD2-CD2 4.48Å; F130-F163 HydrophobicContact CE1-CB 3.81Å; F130-F163 HydrophobicContact CE1-CD1 4.38Å; F130-F163 AromaticContact CE1-CD2 3.57Å; F130-F163 HydrophobicContact CE1-CD2 3.57Å; F130-F163 HydrophobicContact CE1-CE2 4.29Å; F130-F163 AromaticContact CE1-CG 3.65Å; F130-F163 HydrophobicContact CE1-CG 3.65Å; F130-F163 HydrophobicContact CE2-CD2 4.07Å; F130-F163 HydrophobicContact CE2-CE2 4.43Å; F130-F163 HydrophobicContact CG-CB 4.41Å; F130-F163 HydrophobicContact CG-CD2 4.44Å; F130-F163 AromaticContact CZ-CD2 3.63Å; F130-F163 HydrophobicContact CZ-CD2 3.63Å; F130-F163 AromaticContact CZ-CE2 3.96Å; F130-F163 HydrophobicContact CZ-CE2 3.96Å; F130-F163 HydrophobicContact CZ-CG 4.16Å; F130-I165 HydrophobicContact CD1-CD1 4.17Å; F130-M196 HydrophobicContact CD1-CG 3.69Å; F130-M196 HydrophobicContact CD1-SD 4.49Å; F130-M196 HydrophobicContact CD2-CE 3.94Å; F130-M196 HydrophobicContact CE1-CB 4.4Å; F130-M196 HydrophobicContact CE1-CG 3.71Å; F130-M196 HydrophobicContact CE2-CE 4.33Å; F130-M196 HydrophobicContact CG-CE 4.07Å; F130-M196 HydrophobicContact CG-CG 4.14Å; F130-M196 HydrophobicContact CG-SD 4.42Å; F130-M196 HydrophobicContact CZ-CG 4.2Å; F130-V199 HydrophobicContact CZ-CB 4.44Å; F130-V199 HydrophobicContact CZ-CG1 4.24Å
131	S	93.4	Very high	85.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115	-170.6	-58.5	0	0	0	0	109.9	H100 T129 F163 I165	H100-S131 PolarHBondContact CD2-OG 2.81Å; H100-S131 PolarHBondContact NE2-OG 2.93Å; T129-S131 PolarHBondContact OG1-OG 2.86Å; S131-F163 PolarHBondContact N-O 2.69Å; S131-I165 PolarHBondContact O-N 3.15Å
132	I	92.4	Very high	85.4	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	115.4	177	-62.3	83.1	0	0	0	108.4	I16 T99 H100 S101 L102 I165 N167	I16-I132 HydrophobicContact CD1-CD1 3.37Å; I16-I132 HydrophobicContact CD1-CG1 3.54Å; T99-I132 HydrophobicContact CG2-CD1 4.45Å; H100-I132 WeakPolarHBondContact O-CD1 3.34Å; H100-I132 PolarHBondContact O-N 2.94Å; S101-I132 PolarHBondContact OG-O 3.43Å; L102-I132 PolarHBondContact N-O 2.98Å; I132-I165 CarbonylContact C-O 3.54Å; I132-I165 WeakPolarHBondContact CA-O 3.05Å; I132-I165 HydrophobicContact CG1-CB 4.47Å; I132-N167 WeakPolarHBondContact CG2-ND2 3.42Å; I132-N167 WeakPolarHBondContact CG2-OD1 3.5Å
133	L	89.6	Confident	85.3	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	141.4	177.1	-68.5	110.2	0	0	0	111.3	L102 C164 I165 L340	L102-L133 HydrophobicContact CD1-CD2 4.28Å; L102-L133 HydrophobicContact CD1-CG 4.15Å; L133-C164 HydrophobicContact CD1-CB 3.63Å; L133-I165 PolarHBondContact N-O 3.37Å; L133-L340 HydrophobicContact CB-CD1 4.49Å; L133-L340 HydrophobicContact CD1-CD2 3.66Å; L133-L340 HydrophobicContact CD2-CD1 3.95Å; L133-L340 HydrophobicContact CD2-CD2 3.58Å; L133-L340 HydrophobicContact CD2-CG 3.72Å; L133-L340 HydrophobicContact CG-CD2 4.17Å
134	P	84.6	Confident	85.3	Confident	12 Å²	12	38.8 Å²	38.8	8%	0.078	21%	0.207	C	C	.	.			trans	-68.4	151.6	176.9	27.9	-33.2	0	0	0	111.8	E144 A148	P134-E144 HydrophobicContact CB-CB 3.57Å; P134-E144 HydrophobicContact CB-CG 4.13Å; P134-E144 WeakPolarHBondContact CB-OE2 3.5Å; P134-E144 HydrophobicContact CG-CB 3.97Å; P134-A148 HydrophobicContact CG-CB 3.96Å
135	S	79.6	Confident	85.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.			trans	-141.3	134.1	170.6	175.2	0	0	0	0	110.6	K137 V138 S139 E168	S135-K137 PolarHBondContact O-N 2.85Å; S135-K137 VanDerWaalsContact O-N 3.13Å; S135-K137 PolarHBondContact OG-N 3.11Å; S135-V138 PolarHBondContact O-N 3.39Å; S135-V138 VanDerWaalsContact O-N 3.11Å; S135-S139 PolarHBondContact O-N 3.36Å; S135-E168 WeakPolarHBondContact OG-CB 3.3Å
136	P	71.5	Confident	85.6	Confident	79 Å²	79	28.7 Å²	28.7	51%	0.513	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.9	178.3	28.9	-36.1	0	0	0	113.5
137	K	73.4	Confident	85.8	Confident	111 Å²	111	28.3 Å²	28.3	48%	0.483	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-24.1	174.9	-70.2	-177.2	-178.2	162.4	0	112.9	S135 E168 D172	S135-K137 PolarHBondContact O-N 2.85Å; S135-K137 VanDerWaalsContact O-N 3.13Å; S135-K137 PolarHBondContact OG-N 3.11Å; K137-E168 HydrophobicContact CD-CG 4.04Å; K137-E168 WeakPolarHBondContact CE-OE1 3.32Å; K137-E168 IonicContact NZ-OE1 2.66Å; K137-E168 PolarHBondContact NZ-OE1 3.45Å; K137-D172 IonicContact NZ-OD1 3.51Å
138	V	72.4	Confident	85.8	Confident	30 Å²	30	28.3 Å²	28.3	18%	0.182	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-30.8	-169.5	179.3	0	0	0	0	111.5	S135 N167 Y171 Y185	S135-V138 PolarHBondContact O-N 3.39Å; S135-V138 VanDerWaalsContact O-N 3.11Å; V138-N167 HydrophobicContact CB-CB 4.12Å; V138-N167 HydrophobicContact CG1-CB 4.25Å; V138-N167 HydrophobicContact CG2-CB 4.05Å; V138-Y171 HydrophobicContact CG2-CD2 4.26Å; V138-Y171 HydrophobicContact CG2-CG 4.38Å; V138-Y185 HydrophobicContact CG1-CE1 3.71Å; V138-Y185 WeakPolarHBondContact CG1-OH 3.31Å; V138-Y185 PolarHBondContact O-OH 2.96Å; V138-Y185 VanDerWaalsContact O-OH 3.06Å
139	S	72.4	Confident	85.9	Confident	21 Å²	21	28.2 Å²	28.2	15%	0.147	16%	0.158	C	C	.	.			trans	-120	138.7	179.3	-174.3	0	0	0	0	111.9	S135 T141 E144	S135-S139 PolarHBondContact O-N 3.36Å; S139-T141 VanDerWaalsContact C-N 3.3Å; S139-T141 PolarHBondContact OG-N 2.95Å; S139-T141 PolarHBondContact OG-OG1 3.35Å; S139-E144 WeakPolarHBondContact CB-OE1 3.3Å; S139-E144 WeakPolarHBondContact CB-OE2 3.46Å; S139-E144 VanDerWaalsContact OG-CD 3.28Å; S139-E144 PolarHBondContact OG-OE1 3.11Å
140	D	72.6	Confident	85.9	Confident	166 Å²	166	28.5 Å²	28.5	89%	0.888	16%	0.159	S	C	*	.			trans	-89	2.2	175.2	-66.5	-41.5	0	0	0	112.5	V142	D140-V142 PolarHBondContact O-N 3.33Å
141	T	82.8	Confident	85.8	Confident	46 Å²	46	28.4 Å²	28.4	28%	0.282	16%	0.159	S	C	.	.			trans	-78.7	119.2	-172.7	-34.2	0	0	0	0	110.2	N62 S139 V143 E144	N62-T141 HydrophobicContact CB-CG2 3.97Å; N62-T141 WeakPolarHBondContact ND2-CG2 3.16Å; S139-T141 VanDerWaalsContact C-N 3.3Å; S139-T141 PolarHBondContact OG-N 2.95Å; S139-T141 PolarHBondContact OG-OG1 3.35Å; T141-V143 HydrophobicContact CG2-CG2 4.28Å; T141-V143 PolarHBondContact O-N 2.93Å; T141-E144 HydrophobicContact CG2-CG 4.4Å; T141-E144 WeakPolarHBondContact O-CG 3.27Å
142	V	85.7	Confident	85.8	Confident	84 Å²	84	28.5 Å²	28.5	51%	0.509	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-22.6	-171.9	-62.7	0	0	0	0	114.5	D140 M351 F357	D140-V142 PolarHBondContact O-N 3.33Å; V142-M351 WeakPolarHBondContact O-CE 3.3Å; V142-F357 HydrophobicContact CB-CE2 4.38Å; V142-F357 HydrophobicContact CG2-CD2 4.12Å; V142-F357 HydrophobicContact CG2-CE1 4.26Å; V142-F357 HydrophobicContact CG2-CE2 3.54Å; V142-F357 HydrophobicContact CG2-CZ 3.63Å
143	V	90.4	Very high	85.9	Confident	5 Å²	5	30 Å²	30	3%	0.03	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	3.5	-174.1	-62.5	0	0	0	0	114.3	N62 T141 P145 Y146 N147 F357	N62-V143 HydrophobicContact CB-CG2 4.38Å; N62-V143 WeakPolarHBondContact O-CG2 3.45Å; T141-V143 HydrophobicContact CG2-CG2 4.28Å; T141-V143 PolarHBondContact O-N 2.93Å; V143-P145 VanDerWaalsContact C-CD 3.47Å; V143-Y146 WeakPolarHBondContact O-CB 3.42Å; V143-Y146 PolarHBondContact O-N 3.36Å; V143-Y146 VanDerWaalsContact O-N 3.1Å; V143-N147 PolarHBondContact O-N 3Å; V143-F357 HydrophobicContact CG1-CB 3.68Å; V143-F357 HydrophobicContact CG1-CD1 4.3Å; V143-F357 HydrophobicContact CG1-CD2 4.07Å; V143-F357 HydrophobicContact CG1-CG 3.75Å
144	E	90.2	Very high	86.1	Confident	21 Å²	21	31.7 Å²	31.7	10%	0.098	17%	0.174	C	C	.	.	H	α-helix	trans	-57.7	-38.2	-177.8	-59.2	-176.7	151.1	0	0	114.3	P134 S139 T141 Y146 N147 A148	P134-E144 HydrophobicContact CB-CB 3.57Å; P134-E144 HydrophobicContact CB-CG 4.13Å; P134-E144 WeakPolarHBondContact CB-OE2 3.5Å; P134-E144 HydrophobicContact CG-CB 3.97Å; S139-E144 WeakPolarHBondContact CB-OE1 3.3Å; S139-E144 WeakPolarHBondContact CB-OE2 3.46Å; S139-E144 VanDerWaalsContact OG-CD 3.28Å; S139-E144 PolarHBondContact OG-OE1 3.11Å; T141-E144 HydrophobicContact CG2-CG 4.4Å; T141-E144 WeakPolarHBondContact O-CG 3.27Å; E144-Y146 VanDerWaalsContact C-N 3.27Å; E144-Y146 PolarHBondContact O-N 3.02Å; E144-N147 PolarHBondContact O-N 3.09Å; E144-A148 VanDerWaalsContact O-CB 3.31Å; E144-A148 WeakPolarHBondContact O-CB 3.49Å; E144-A148 PolarHBondContact O-N 2.69Å
145	P	92.2	Very high	86.5	Confident	10 Å²	10	31.1 Å²	31.1	7%	0.065	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-33.1	176.9	-23.6	33.1	0	0	0	113.2	V143 T149 Q347 F348 M351	V143-P145 VanDerWaalsContact C-CD 3.47Å; P145-T149 WeakPolarHBondContact O-CB 3.35Å; P145-T149 PolarHBondContact O-N 3.39Å; P145-T149 PolarHBondContact O-OG1 2.89Å; P145-Q347 HydrophobicContact CB-CB 3.94Å; P145-Q347 HydrophobicContact CG-CB 3.73Å; P145-F348 HydrophobicContact CB-CB 4.38Å; P145-M351 HydrophobicContact CB-CE 3.61Å; P145-M351 HydrophobicContact CG-CE 3.61Å
146	Y	92.9	Very high	87.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-51.8	173.5	-75.2	-56.4	0	0	0	111.2	V143 E144 A148 T149 L150 F348 M351 F352 A356 Y361 F371	V143-Y146 WeakPolarHBondContact O-CB 3.42Å; V143-Y146 PolarHBondContact O-N 3.36Å; V143-Y146 VanDerWaalsContact O-N 3.1Å; E144-Y146 VanDerWaalsContact C-N 3.27Å; E144-Y146 PolarHBondContact O-N 3.02Å; Y146-A148 VanDerWaalsContact C-N 3.26Å; Y146-A148 PolarHBondContact O-N 3.01Å; Y146-T149 PolarHBondContact O-N 3.48Å; Y146-L150 VanDerWaalsContact O-CG 3.28Å; Y146-L150 WeakPolarHBondContact O-CG 3.47Å; Y146-L150 PolarHBondContact O-N 3.01Å; Y146-L150 VanDerWaalsContact O-N 3.14Å; Y146-F348 AromaticContact CD1-CD2 3.55Å; Y146-F348 HydrophobicContact CD1-CD2 3.55Å; Y146-F348 AromaticContact CD1-CE2 3.38Å; Y146-F348 HydrophobicContact CD1-CE2 3.38Å; Y146-F348 HydrophobicContact CD1-CZ 4.24Å; Y146-F348 AromaticContact CE1-CD2 3.95Å; Y146-F348 HydrophobicContact CE1-CD2 3.95Å; Y146-F348 AromaticContact CE1-CE2 3.77Å; Y146-F348 HydrophobicContact CE1-CE2 3.77Å; Y146-F348 HydrophobicContact CE1-CZ 4.23Å; Y146-F348 HydrophobicContact CG-CD2 4.47Å; Y146-M351 HydrophobicContact CD2-CE 3.71Å; Y146-M351 HydrophobicContact CD2-SD 4.47Å; Y146-M351 HydrophobicContact CE2-CB 3.86Å; Y146-M351 HydrophobicContact CE2-CE 3.78Å; Y146-M351 HydrophobicContact CE2-SD 4.15Å; Y146-M351 HydrophobicContact CG-CE 4.27Å; Y146-M351 WeakPolarHBondContact OH-CB 3.35Å; Y146-M351 PolarHBondContact OH-O 3.45Å; Y146-F352 HydrophobicContact CE1-CB 4.1Å; Y146-F352 HydrophobicContact CE1-CD2 4.04Å; Y146-F352 WeakPolarHBondContact OH-CA 3.48Å; Y146-F352 PolarHBondContact OH-N 3.4Å; Y146-A356 WeakPolarHBondContact CE2-O 3.42Å; Y146-A356 PolarHBondContact OH-O 2.96Å; Y146-Y361 HydrophobicContact CD2-CE2 4.26Å; Y146-Y361 HydrophobicContact CG-CE2 4.47Å; Y146-F371 AromaticContact CD1-CD1 3.79Å; Y146-F371 HydrophobicContact CD1-CD1 3.79Å; Y146-F371 AromaticContact CD1-CE1 3.59Å; Y146-F371 HydrophobicContact CD1-CE1 3.59Å; Y146-F371 HydrophobicContact CE1-CD1 4.14Å; Y146-F371 HydrophobicContact CE1-CE1 4.17Å; Y146-F371 HydrophobicContact CG-CE1 4.16Å
147	N	93	Very high	88	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-39.5	179.6	-62.9	-26.9	0	0	0	111.5	N62 W64 L102 G103 G104 V143 E144 S151 Y361	N62-N147 PolarHBondContact O-ND2 2.83Å; W64-N147 HydrophobicContact CB-CB 4.26Å; W64-N147 WeakPolarHBondContact CB-OD1 3.22Å; W64-N147 PolarHBondContact N-OD1 2.7Å; L102-N147 CarbonylContact O-C 3.26Å; L102-N147 VanDerWaalsContact O-C 3.26Å; L102-N147 VanDerWaalsContact O-CB 3.26Å; L102-N147 WeakPolarHBondContact O-CB 3.45Å; G103-N147 PolarHBondContact O-ND2 3.29Å; G104-N147 PolarHBondContact O-ND2 2.62Å; V143-N147 PolarHBondContact O-N 3Å; E144-N147 PolarHBondContact O-N 3.09Å; N147-S151 VanDerWaalsContact O-CB 3.3Å; N147-S151 WeakPolarHBondContact O-CB 3.37Å; N147-S151 PolarHBondContact O-N 2.98Å; N147-S151 PolarHBondContact O-OG 3.44Å; N147-Y361 WeakPolarHBondContact OD1-CE1 3.09Å; N147-Y361 PolarHBondContact OD1-OH 3.32Å
148	A	92.6	Very high	88.8	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-67.5	-49.4	179.8	0	0	0	0	0	112.2	L102 P134 E144 Y146 L150 S151 V152 V344	L102-A148 HydrophobicContact CB-CB 4.25Å; L102-A148 PolarHBondContact O-N 2.65Å; P134-A148 HydrophobicContact CG-CB 3.96Å; E144-A148 VanDerWaalsContact O-CB 3.31Å; E144-A148 WeakPolarHBondContact O-CB 3.49Å; E144-A148 PolarHBondContact O-N 2.69Å; Y146-A148 VanDerWaalsContact C-N 3.26Å; Y146-A148 PolarHBondContact O-N 3.01Å; A148-L150 VanDerWaalsContact C-N 3.35Å; A148-L150 PolarHBondContact O-N 3.29Å; A148-S151 PolarHBondContact O-N 3.48Å; A148-S151 VanDerWaalsContact O-N 3.16Å; A148-V152 WeakPolarHBondContact O-CB 3.3Å; A148-V152 VanDerWaalsContact O-CG2 3.3Å; A148-V152 WeakPolarHBondContact O-CG2 3.4Å; A148-V152 PolarHBondContact O-N 3.39Å; A148-V344 HydrophobicContact CB-CG1 3.92Å
149	T	93.6	Very high	89.7	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-46.2	178.6	-61.4	0	0	0	0	111.7	P145 Y146 S151 V152 H153 F348 A374 M378	P145-T149 WeakPolarHBondContact O-CB 3.35Å; P145-T149 PolarHBondContact O-N 3.39Å; P145-T149 PolarHBondContact O-OG1 2.89Å; Y146-T149 PolarHBondContact O-N 3.48Å; T149-S151 VanDerWaalsContact C-N 3.29Å; T149-S151 PolarHBondContact O-N 3.41Å; T149-V152 PolarHBondContact O-N 2.95Å; T149-H153 PolarHBondContact O-N 3.32Å; T149-H153 VanDerWaalsContact O-N 3.09Å; T149-F348 HydrophobicContact CG2-CD2 3.96Å; T149-F348 HydrophobicContact CG2-CE2 3.85Å; T149-F348 HydrophobicContact CG2-CG 4.42Å; T149-F348 HydrophobicContact CG2-CZ 4.31Å; T149-F348 VanDerWaalsContact OG1-CD2 3.31Å; T149-F348 WeakPolarHBondContact OG1-CD2 3.39Å; T149-A374 HydrophobicContact CG2-CB 3.97Å; T149-M378 HydrophobicContact CG2-CE 3.75Å; T149-M378 HydrophobicContact CG2-SD 4.37Å; T149-M378 WeakPolarHBondContact OG1-CE 3.45Å
150	L	93.8	Very high	90.7	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-64.4	-35.5	178.2	-63.6	173	0	0	0	112.4	W64 Y146 A148 Q154 Y361 M366 F371 A374	W64-L150 HydrophobicContact CB-CD1 4.28Å; W64-L150 HydrophobicContact CD2-CB 3.89Å; W64-L150 HydrophobicContact CD2-CD1 3.85Å; W64-L150 HydrophobicContact CE3-CB 4.31Å; W64-L150 HydrophobicContact CE3-CD1 3.67Å; W64-L150 HydrophobicContact CG-CB 4.18Å; W64-L150 HydrophobicContact CG-CD1 4.11Å; W64-L150 HydrophobicContact CZ2-CB 4.21Å; W64-L150 HydrophobicContact CZ3-CD1 4.29Å; Y146-L150 VanDerWaalsContact O-CG 3.28Å; Y146-L150 WeakPolarHBondContact O-CG 3.47Å; Y146-L150 PolarHBondContact O-N 3.01Å; Y146-L150 VanDerWaalsContact O-N 3.14Å; A148-L150 VanDerWaalsContact C-N 3.35Å; A148-L150 PolarHBondContact O-N 3.29Å; L150-Q154 PolarHBondContact O-N 3.24Å; L150-Y361 HydrophobicContact CD1-CD1 4.42Å; L150-Y361 HydrophobicContact CD1-CE1 4.41Å; L150-M366 HydrophobicContact CD1-CE 3.59Å; L150-M366 HydrophobicContact CD1-SD 4.01Å; L150-M366 HydrophobicContact CD2-CE 3.38Å; L150-M366 HydrophobicContact CG-CE 4.11Å; L150-F371 HydrophobicContact CD1-CD1 4.44Å; L150-F371 HydrophobicContact CD1-CE1 3.81Å; L150-F371 HydrophobicContact CD1-CZ 4.11Å; L150-F371 HydrophobicContact CD2-CD1 4.27Å; L150-F371 HydrophobicContact CD2-CE1 4.44Å; L150-F371 HydrophobicContact CG-CE1 4.37Å; L150-A374 HydrophobicContact CD2-CB 3.75Å
151	S	93.4	Very high	91.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-75.5	-39.7	179.1	-56.9	0	0	0	0	113	W64 S108 N147 A148 T149 H153 Q154 L155	W64-S151 PolarHBondContact NE1-OG 3.15Å; S108-S151 WeakPolarHBondContact CB-OG 3Å; N147-S151 VanDerWaalsContact O-CB 3.3Å; N147-S151 WeakPolarHBondContact O-CB 3.37Å; N147-S151 PolarHBondContact O-N 2.98Å; N147-S151 PolarHBondContact O-OG 3.44Å; A148-S151 PolarHBondContact O-N 3.48Å; A148-S151 VanDerWaalsContact O-N 3.16Å; T149-S151 VanDerWaalsContact C-N 3.29Å; T149-S151 PolarHBondContact O-N 3.41Å; S151-H153 VanDerWaalsContact C-N 3.29Å; S151-H153 PolarHBondContact O-N 3.38Å; S151-Q154 PolarHBondContact O-N 3.14Å; S151-L155 VanDerWaalsContact O-CG 3.29Å; S151-L155 WeakPolarHBondContact O-CG 3.28Å; S151-L155 PolarHBondContact O-N 3Å
152	V	93.3	Very high	92.2	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.018	10%	0.096	C	C	.	.	H	α-helix	trans	-60.5	-43.3	175.5	169.4	0	0	0	0	110	L102 A148 T149 Q154 L155 I156 F228 F341	L102-V152 HydrophobicContact CD1-CG2 4.12Å; A148-V152 WeakPolarHBondContact O-CB 3.3Å; A148-V152 VanDerWaalsContact O-CG2 3.3Å; A148-V152 WeakPolarHBondContact O-CG2 3.4Å; A148-V152 PolarHBondContact O-N 3.39Å; T149-V152 PolarHBondContact O-N 2.95Å; V152-Q154 VanDerWaalsContact C-N 3.27Å; V152-Q154 PolarHBondContact O-N 2.84Å; V152-L155 PolarHBondContact O-N 2.8Å; V152-I156 HydrophobicContact CG1-CD1 3.97Å; V152-I156 HydrophobicContact CG1-CG1 4.26Å; V152-I156 VanDerWaalsContact O-CG1 3.29Å; V152-I156 WeakPolarHBondContact O-CG1 3.33Å; V152-I156 PolarHBondContact O-N 2.82Å; V152-F228 HydrophobicContact CG1-CZ 4.4Å; V152-F341 HydrophobicContact CG1-CD1 4.18Å; V152-F341 HydrophobicContact CG1-CE1 3.76Å; V152-F341 HydrophobicContact CG2-CD1 4.48Å; V152-F341 HydrophobicContact CG2-CE1 3.98Å
153	H	93.8	Very high	92.6	Very high	33 Å²	33	14.3 Å²	14.3	15%	0.153	7%	0.072	C	C	.	.	H	α-helix	trans	-51.9	-46.3	175	172.9	81.2	0	0	0	112.1	T149 S151 A374 N377	T149-H153 PolarHBondContact O-N 3.32Å; T149-H153 VanDerWaalsContact O-N 3.09Å; S151-H153 VanDerWaalsContact C-N 3.29Å; S151-H153 PolarHBondContact O-N 3.38Å; H153-A374 HydrophobicContact CB-CB 3.78Å; H153-N377 WeakPolarHBondContact ND1-CB 3.4Å; H153-N377 PolarHBondContact ND1-ND2 3.11Å
154	Q	93.1	Very high	92.7	Very high	37 Å²	37	14.2 Å²	14.2	17%	0.173	7%	0.071	C	C	.	.	H	α-helix	trans	-73.1	-30.9	177.4	-66.2	-63.2	-30	0	0	113.8	W64 T112 L150 S151 V152 N158	W64-Q154 HydrophobicContact CZ2-CG 4.33Å; T112-Q154 HydrophobicContact CG2-CB 3.82Å; T112-Q154 HydrophobicContact CG2-CG 4.44Å; L150-Q154 PolarHBondContact O-N 3.24Å; S151-Q154 PolarHBondContact O-N 3.14Å; V152-Q154 VanDerWaalsContact C-N 3.27Å; V152-Q154 PolarHBondContact O-N 2.84Å; Q154-N158 WeakPolarHBondContact O-CB 3.26Å; Q154-N158 PolarHBondContact O-N 2.99Å; Q154-N158 VanDerWaalsContact O-N 3.15Å; Q154-N158 PolarHBondContact O-ND2 3.24Å; Q154-N158 PolarHBondContact OE1-ND2 2.92Å
155	L	93.3	Very high	92.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-70.9	-32.6	177.8	-75.3	170.3	0	0	0	112.7	L102 L115 T129 S151 V152 E157 A159 H227 F228	L102-L155 HydrophobicContact CD1-CD1 4.27Å; L102-L155 HydrophobicContact CD2-CD1 3.66Å; L115-L155 HydrophobicContact CD1-CD2 3.51Å; T129-L155 HydrophobicContact CG2-CD2 3.84Å; S151-L155 VanDerWaalsContact O-CG 3.29Å; S151-L155 WeakPolarHBondContact O-CG 3.28Å; S151-L155 PolarHBondContact O-N 3Å; V152-L155 PolarHBondContact O-N 2.8Å; L155-E157 PolarHBondContact O-N 3.39Å; L155-A159 HydrophobicContact CD2-CB 4.09Å; L155-A159 WeakPolarHBondContact O-CB 3.45Å; L155-A159 PolarHBondContact O-N 2.78Å; L155-A159 VanDerWaalsContact O-N 3.16Å; L155-H227 PolarHBondContact O-NE2 2.91Å; L155-F228 HydrophobicContact CB-CE1 4.49Å
156	I	92.6	Very high	92.8	Very high	8 Å²	8	12.9 Å²	12.9	4%	0.041	6%	0.064	C	C	.	.	H	α-helix	trans	-59.5	-38.7	178.1	-68.9	163.2	0	0	0	110.7	V152 R225 H227 F228 L381	V152-I156 HydrophobicContact CG1-CD1 3.97Å; V152-I156 HydrophobicContact CG1-CG1 4.26Å; V152-I156 VanDerWaalsContact O-CG1 3.29Å; V152-I156 WeakPolarHBondContact O-CG1 3.33Å; V152-I156 PolarHBondContact O-N 2.82Å; I156-R225 HydrophobicContact CG2-CB 4.46Å; I156-R225 HydrophobicContact CG2-CG 4.19Å; I156-H227 PolarHBondContact O-CE1 2.95Å; I156-H227 VanDerWaalsContact O-CE1 3.32Å; I156-F228 HydrophobicContact CG1-CE2 3.94Å; I156-F228 HydrophobicContact CG1-CZ 3.8Å; I156-L381 HydrophobicContact CD1-CB 4.19Å; I156-L381 HydrophobicContact CD1-CD2 3.86Å; I156-L381 HydrophobicContact CD1-CG 4.47Å; I156-L381 HydrophobicContact CG1-CD2 4.1Å
157	E	89.4	Confident	92.6	Very high	116 Å²	116	13.8 Å²	13.8	54%	0.542	7%	0.069	S	C	.	.	H	α-helix	trans	-92.4	-35.4	-174.4	-62.2	-175.5	175.3	0	0	113.4	L155	L155-E157 PolarHBondContact O-N 3.39Å
158	N	91.6	Very high	92.4	Very high	20 Å²	20	15.4 Å²	15.4	11%	0.107	8%	0.076	C	C	.	.	H	α-helix	trans	-102.4	-19.4	-168.2	-62.6	-64.9	0	0	0	114.7	L115 Q154	L115-N158 HydrophobicContact CB-CB 4.3Å; Q154-N158 WeakPolarHBondContact O-CB 3.26Å; Q154-N158 PolarHBondContact O-N 2.99Å; Q154-N158 VanDerWaalsContact O-N 3.15Å; Q154-N158 PolarHBondContact O-ND2 3.24Å; Q154-N158 PolarHBondContact OE1-ND2 2.92Å
159	A	91.8	Very high	92.3	Very high	5 Å²	5	15.7 Å²	15.7	4%	0.041	8%	0.079	C	C	.	.			trans	-97.9	143.5	179.4	0	0	0	0	0	110.9	T129 L155 H227	T129-A159 HydrophobicContact CG2-CB 3.99Å; L155-A159 HydrophobicContact CD2-CB 4.09Å; L155-A159 WeakPolarHBondContact O-CB 3.45Å; L155-A159 PolarHBondContact O-N 2.78Å; L155-A159 VanDerWaalsContact O-N 3.16Å; A159-H227 PolarHBondContact O-CD2 2.85Å; A159-H227 PolarHBondContact O-NE2 3.41Å
160	D	92.1	Very high	92.1	Very high	35 Å²	35	15.8 Å²	15.8	19%	0.187	8%	0.079	C	C	.	.	S	Bend	trans	-94.4	-28.6	174.1	-54.2	-68.3	0	0	0	111.5	R119 I126 I127 H227	R119-D160 IonicContact CZ-OD1 2.69Å; R119-D160 IonicContact NH1-OD1 3.55Å; R119-D160 PolarHBondContact NH1-OD1 3.5Å; R119-D160 IonicContact NH1-OD2 2.77Å; R119-D160 PolarHBondContact NH1-OD2 3.49Å; R119-D160 IonicContact NH2-OD1 3.65Å; I126-D160 WeakPolarHBondContact CA-OD2 3.36Å; I126-D160 HydrophobicContact CD1-CB 4.33Å; I126-D160 HydrophobicContact CG2-CB 4.35Å; I127-D160 PolarHBondContact N-OD2 2.86Å; I127-D160 PolarHBondContact O-N 2.88Å; D160-H227 WeakPolarHBondContact O-CB 3.29Å
161	E	92.1	Very high	91.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	126.6	176.5	-61	-177.8	176.4	0	0	110.4	I127 N128 T129 F163 A217 F229	I127-E161 PolarHBondContact O-N 2.89Å; N128-E161 CarbonylContact C-O 3.51Å; N128-E161 WeakPolarHBondContact CA-O 3.28Å; N128-E161 VanDerWaalsContact CG-OE2 3.3Å; N128-E161 PolarHBondContact ND2-OE2 2.85Å; N128-E161 WeakPolarHBondContact OD1-CB 3.21Å; N128-E161 PolarHBondContact OD1-OE2 2.99Å; T129-E161 PolarHBondContact N-O 3.41Å; E161-F163 HydrophobicContact CB-CE2 4.48Å; E161-A217 HydrophobicContact CG-CB 4.11Å; E161-A217 WeakPolarHBondContact OE1-CA 3.31Å; E161-A217 WeakPolarHBondContact OE1-CB 3.43Å; E161-A217 PolarHBondContact OE1-N 3.04Å; E161-F229 HydrophobicContact CB-CD2 4.46Å; E161-F229 HydrophobicContact CB-CE2 3.77Å; E161-F229 HydrophobicContact CG-CE2 3.83Å; E161-F229 HydrophobicContact CG-CZ 4.35Å
162	T	94.2	Very high	91.7	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	114.7	176.6	-59.2	0	0	0	0	111.1	T129 C164 H227 F228 F229	T129-T162 WeakPolarHBondContact OG1-CA 3.43Å; T129-T162 WeakPolarHBondContact OG1-CB 3.48Å; T129-T162 VanDerWaalsContact OG1-CG2 3.3Å; T129-T162 WeakPolarHBondContact OG1-CG2 3.19Å; T129-T162 PolarHBondContact OG1-OG1 2.89Å; T129-T162 VanDerWaalsContact OG1-OG1 3.04Å; T162-C164 PolarHBondContact O-N 2.86Å; T162-H227 PolarHBondContact N-O 3.17Å; T162-F228 HydrophobicContact CG2-CD1 3.67Å; T162-F228 HydrophobicContact CG2-CE1 3.85Å; T162-F228 WeakPolarHBondContact O-CA 3.48Å; T162-F229 PolarHBondContact O-N 3.07Å
163	F	94.7	Very high	91.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	106.3	173	-62.3	-83.1	0	0	0	109.8	T129 F130 S131 E161 I165 V199 L216 F229 I331	T129-F163 PolarHBondContact O-N 2.9Å; F130-F163 HydrophobicContact CD1-CB 3.64Å; F130-F163 AromaticContact CD1-CD2 4Å; F130-F163 HydrophobicContact CD1-CD2 4Å; F130-F163 AromaticContact CD1-CG 3.99Å; F130-F163 HydrophobicContact CD1-CG 3.99Å; F130-F163 HydrophobicContact CD2-CD2 4.48Å; F130-F163 HydrophobicContact CE1-CB 3.81Å; F130-F163 HydrophobicContact CE1-CD1 4.38Å; F130-F163 AromaticContact CE1-CD2 3.57Å; F130-F163 HydrophobicContact CE1-CD2 3.57Å; F130-F163 HydrophobicContact CE1-CE2 4.29Å; F130-F163 AromaticContact CE1-CG 3.65Å; F130-F163 HydrophobicContact CE1-CG 3.65Å; F130-F163 HydrophobicContact CE2-CD2 4.07Å; F130-F163 HydrophobicContact CE2-CE2 4.43Å; F130-F163 HydrophobicContact CG-CB 4.41Å; F130-F163 HydrophobicContact CG-CD2 4.44Å; F130-F163 AromaticContact CZ-CD2 3.63Å; F130-F163 HydrophobicContact CZ-CD2 3.63Å; F130-F163 AromaticContact CZ-CE2 3.96Å; F130-F163 HydrophobicContact CZ-CE2 3.96Å; F130-F163 HydrophobicContact CZ-CG 4.16Å; S131-F163 PolarHBondContact N-O 2.69Å; E161-F163 HydrophobicContact CB-CE2 4.48Å; F163-I165 PolarHBondContact O-N 2.77Å; F163-V199 HydrophobicContact CD1-CG2 4.41Å; F163-V199 HydrophobicContact CE1-CG1 3.77Å; F163-V199 HydrophobicContact CE1-CG2 4.1Å; F163-V199 HydrophobicContact CE2-CG1 4.07Å; F163-V199 HydrophobicContact CZ-CG1 3.48Å; F163-V199 VanDerWaalsContact CZ-CG1 3.48Å; F163-L216 HydrophobicContact CZ-CD2 4.29Å; F163-F229 HydrophobicContact CD1-CB 4.03Å; F163-F229 HydrophobicContact CD1-CD2 4.02Å; F163-F229 HydrophobicContact CE1-CB 4.3Å; F163-F229 AromaticContact CE1-CD2 3.64Å; F163-F229 HydrophobicContact CE1-CD2 3.64Å; F163-F229 HydrophobicContact CE1-CE2 4.46Å; F163-F229 HydrophobicContact CE1-CG 4.4Å; F163-F229 HydrophobicContact CE2-CD2 4.49Å; F163-F229 AromaticContact CZ-CD2 3.89Å; F163-F229 HydrophobicContact CZ-CD2 3.89Å; F163-F229 HydrophobicContact CZ-CE2 4.33Å; F163-I331 HydrophobicContact CD1-CG2 4.38Å; F163-I331 HydrophobicContact CE1-CD1 4.06Å; F163-I331 HydrophobicContact CE1-CG1 4.24Å; F163-I331 HydrophobicContact CE1-CG2 3.74Å
164	C	93.4	Very high	91.3	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.02	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	113.9	179.9	-70.3	0	0	0	0	110.7	L133 T162 F229 P231 I337 L340	L133-C164 HydrophobicContact CD1-CB 3.63Å; T162-C164 PolarHBondContact O-N 2.86Å; C164-F229 WeakPolarHBondContact CB-O 3.3Å; C164-F229 PolarHBondContact N-O 3.49Å; C164-P231 WeakPolarHBondContact O-CD 3.47Å; C164-I337 HydrophobicContact CB-CD1 4.03Å; C164-L340 HydrophobicContact CB-CD2 4.2Å
165	I	93.1	Very high	91	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.3	176.8	-64.1	159.6	0	0	0	108.5	F130 S131 I132 L133 F163 L170 V192 P231	F130-I165 HydrophobicContact CD1-CD1 4.17Å; S131-I165 PolarHBondContact O-N 3.15Å; I132-I165 CarbonylContact C-O 3.54Å; I132-I165 WeakPolarHBondContact CA-O 3.05Å; I132-I165 HydrophobicContact CG1-CB 4.47Å; L133-I165 PolarHBondContact N-O 3.37Å; F163-I165 PolarHBondContact O-N 2.77Å; I165-L170 HydrophobicContact CG2-CD1 3.57Å; I165-L170 HydrophobicContact CG2-CG 4.2Å; I165-V192 HydrophobicContact CD1-CG1 3.66Å; I165-V192 HydrophobicContact CD1-CG2 4.5Å; I165-V192 HydrophobicContact CG2-CG2 3.78Å; I165-P231 HydrophobicContact CG1-CG 4.14Å
166	D	91.6	Very high	90.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.9	179.9	-170.5	-4.8	0	0	0	111.4	E168 A169 L170 M263 A265 R343	D166-E168 PolarHBondContact O-N 2.85Å; D166-E168 WeakPolarHBondContact OD1-CB 3.4Å; D166-E168 PolarHBondContact OD1-N 3.44Å; D166-A169 HydrophobicContact CB-CB 4.22Å; D166-A169 PolarHBondContact O-N 2.76Å; D166-L170 WeakPolarHBondContact O-CG 3.37Å; D166-L170 PolarHBondContact O-N 2.83Å; D166-M263 PolarHBondContact N-O 2.86Å; D166-A265 HydrophobicContact CB-CB 4.5Å; D166-A265 WeakPolarHBondContact OD2-CB 3.1Å; D166-A265 PolarHBondContact OD2-N 2.88Å; D166-R343 IonicContact OD1-NH2 3.59Å; D166-R343 IonicContact OD2-CZ 3.17Å; D166-R343 IonicContact OD2-NH1 3.64Å; D166-R343 PolarHBondContact OD2-NH1 2.83Å; D166-R343 VanDerWaalsContact OD2-NH1 3.17Å; D166-R343 IonicContact OD2-NH2 3.31Å; D166-R343 PolarHBondContact OD2-NH2 3.16Å
167	N	88.1	Confident	90.3	Very high	20 Å²	20	28.4 Å²	28.4	11%	0.107	14%	0.142	C	C	.	.	H	α-helix	trans	-59.8	-29.7	173.9	-77.8	-28.1	0	0	0	112.6	I132 V138 Y171	I132-N167 WeakPolarHBondContact CG2-ND2 3.42Å; I132-N167 WeakPolarHBondContact CG2-OD1 3.5Å; V138-N167 HydrophobicContact CB-CB 4.12Å; V138-N167 HydrophobicContact CG1-CB 4.25Å; V138-N167 HydrophobicContact CG2-CB 4.05Å; N167-Y171 WeakPolarHBondContact O-CB 3.07Å; N167-Y171 PolarHBondContact O-N 2.9Å
168	E	88.5	Confident	90.2	Very high	33 Å²	33	24.3 Å²	24.3	15%	0.154	12%	0.124	C	C	.	.	H	α-helix	trans	-63.6	-48.3	175.4	-174.8	155.1	-178.4	0	0	111.9	S135 K137 D166 Y171 D172 A265 R343	S135-E168 WeakPolarHBondContact OG-CB 3.3Å; K137-E168 HydrophobicContact CD-CG 4.04Å; K137-E168 WeakPolarHBondContact CE-OE1 3.32Å; K137-E168 IonicContact NZ-OE1 2.66Å; K137-E168 PolarHBondContact NZ-OE1 3.45Å; D166-E168 PolarHBondContact O-N 2.85Å; D166-E168 WeakPolarHBondContact OD1-CB 3.4Å; D166-E168 PolarHBondContact OD1-N 3.44Å; E168-Y171 PolarHBondContact O-N 3.24Å; E168-D172 WeakPolarHBondContact O-CB 3.43Å; E168-D172 PolarHBondContact O-N 2.96Å; E168-A265 HydrophobicContact CB-CB 4.14Å; E168-A265 HydrophobicContact CG-CB 4.21Å; E168-R343 IonicContact OE2-CZ 2.88Å; E168-R343 IonicContact OE2-NH1 2.72Å; E168-R343 PolarHBondContact OE2-NH1 3.12Å
169	A	90	Very high	89.9	Confident	8 Å²	8	30.5 Å²	30.5	7%	0.066	15%	0.15	C	C	.	.	H	α-helix	trans	-65.8	-42.5	179.4	0	0	0	0	0	111.3	D166 Y171 D172 I173 A265	D166-A169 HydrophobicContact CB-CB 4.22Å; D166-A169 PolarHBondContact O-N 2.76Å; A169-Y171 VanDerWaalsContact C-N 3.32Å; A169-Y171 PolarHBondContact O-N 3.37Å; A169-D172 PolarHBondContact O-N 3.43Å; A169-I173 WeakPolarHBondContact O-CB 3.4Å; A169-I173 VanDerWaalsContact O-CG1 3.3Å; A169-I173 WeakPolarHBondContact O-CG1 3.48Å; A169-I173 PolarHBondContact O-N 2.95Å; A169-A265 HydrophobicContact CB-CB 4.06Å
170	L	90.3	Very high	89.6	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-43.6	175.2	-69.6	175.1	0	0	0	112.1	I165 D166 I173 C174 L188 L191 V192 M263	I165-L170 HydrophobicContact CG2-CD1 3.57Å; I165-L170 HydrophobicContact CG2-CG 4.2Å; D166-L170 WeakPolarHBondContact O-CG 3.37Å; D166-L170 PolarHBondContact O-N 2.83Å; L170-I173 PolarHBondContact O-N 3.22Å; L170-C174 WeakPolarHBondContact O-CB 3.35Å; L170-C174 PolarHBondContact O-N 3.38Å; L170-C174 PolarHBondContact O-SG 3.22Å; L170-L188 HydrophobicContact CB-CD2 3.89Å; L170-L188 HydrophobicContact CB-CG 3.97Å; L170-L188 HydrophobicContact CD1-CB 4.34Å; L170-L188 HydrophobicContact CD1-CD2 4.33Å; L170-L191 HydrophobicContact CD2-CB 3.87Å; L170-L191 HydrophobicContact CD2-CD1 4.08Å; L170-V192 HydrophobicContact CD1-CG2 3.58Å; L170-V192 HydrophobicContact CD2-CG2 4.22Å; L170-M263 HydrophobicContact CD2-SD 3.36Å; L170-M263 WeakPolarHBondContact CD2-SD 3.49Å
171	Y	89.1	Confident	89.1	Confident	79 Å²	79	36.6 Å²	36.6	31%	0.31	19%	0.188	S	C	.	.	H	α-helix	trans	-64.2	-44.5	177.6	-170.7	-89.6	0	0	0	111.6	V138 N167 E168 A169 C174 S175 P183	V138-Y171 HydrophobicContact CG2-CD2 4.26Å; V138-Y171 HydrophobicContact CG2-CG 4.38Å; N167-Y171 WeakPolarHBondContact O-CB 3.07Å; N167-Y171 PolarHBondContact O-N 2.9Å; E168-Y171 PolarHBondContact O-N 3.24Å; A169-Y171 VanDerWaalsContact C-N 3.32Å; A169-Y171 PolarHBondContact O-N 3.37Å; Y171-C174 PolarHBondContact O-N 3.45Å; Y171-S175 WeakPolarHBondContact O-CB 3.32Å; Y171-S175 PolarHBondContact O-N 3.48Å; Y171-P183 HydrophobicContact CD2-CB 3.96Å; Y171-P183 HydrophobicContact CD2-CG 3.98Å; Y171-P183 HydrophobicContact CE2-CB 3.88Å; Y171-P183 HydrophobicContact CE2-CG 3.66Å
172	D	89.6	Confident	88.7	Confident	43 Å²	43	41.8 Å²	41.8	23%	0.23	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-40.5	177.7	-90.9	18.2	0	0	0	111.9	K137 E168 A169 K176	K137-D172 IonicContact NZ-OD1 3.51Å; E168-D172 WeakPolarHBondContact O-CB 3.43Å; E168-D172 PolarHBondContact O-N 2.96Å; A169-D172 PolarHBondContact O-N 3.43Å; D172-K176 HydrophobicContact CB-CD 4.44Å; D172-K176 VanDerWaalsContact O-CB 3.23Å; D172-K176 WeakPolarHBondContact O-CB 3.46Å; D172-K176 PolarHBondContact O-N 2.97Å; D172-K176 IonicContact OD1-NZ 3.41Å; D172-K176 IonicContact OD2-NZ 3.38Å; D172-K176 PolarHBondContact OD2-NZ 2.95Å
173	I	89.6	Confident	88.3	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.015	23%	0.226	C	C	.	.	I	π-helix	trans	-60.9	-48.2	173	-73.3	166.6	0	0	0	110.7	A169 L170 S175 T177 L178 L191 L236 K260 M262 M263	A169-I173 WeakPolarHBondContact O-CB 3.4Å; A169-I173 VanDerWaalsContact O-CG1 3.3Å; A169-I173 WeakPolarHBondContact O-CG1 3.48Å; A169-I173 PolarHBondContact O-N 2.95Å; L170-I173 PolarHBondContact O-N 3.22Å; I173-S175 PolarHBondContact O-N 2.95Å; I173-T177 WeakPolarHBondContact O-CA 3.44Å; I173-T177 VanDerWaalsContact O-CB 3.24Å; I173-T177 WeakPolarHBondContact O-CB 3.41Å; I173-T177 PolarHBondContact O-N 2.95Å; I173-L178 PolarHBondContact O-N 2.83Å; I173-L191 HydrophobicContact CB-CD1 4.36Å; I173-L191 HydrophobicContact CG2-CD1 3.75Å; I173-L236 HydrophobicContact CD1-CD1 4.28Å; I173-L236 HydrophobicContact CG1-CD1 4.49Å; I173-L236 HydrophobicContact CG2-CD1 3.77Å; I173-L236 HydrophobicContact CG2-CD2 4.32Å; I173-K260 VanDerWaalsContact CG1-O 3.23Å; I173-K260 WeakPolarHBondContact CG1-O 3.39Å; I173-M262 WeakPolarHBondContact CD1-O 3.38Å; I173-M263 HydrophobicContact CD1-CE 4.35Å; I173-M263 HydrophobicContact CD1-SD 3.73Å
174	C	88.8	Confident	88	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.	I	π-helix	trans	-62.6	-43.9	-179.2	-70.3	0	0	0	0	112	L170 Y171 L178 K179 L180 P183 L191	L170-C174 WeakPolarHBondContact O-CB 3.35Å; L170-C174 PolarHBondContact O-N 3.38Å; L170-C174 PolarHBondContact O-SG 3.22Å; Y171-C174 PolarHBondContact O-N 3.45Å; C174-L178 WeakPolarHBondContact O-CB 2.91Å; C174-K179 PolarHBondContact O-N 3.16Å; C174-L180 HydrophobicContact CB-CD1 4.34Å; C174-L180 WeakPolarHBondContact O-CB 3.18Å; C174-L180 PolarHBondContact O-N 3.44Å; C174-P183 HydrophobicContact CB-CB 3.75Å; C174-P183 HydrophobicContact CB-CG 3.81Å; C174-L191 VanDerWaalsContact SG-CD1 3.54Å
175	S	87.4	Confident	87.6	Confident	49 Å²	49	51.9 Å²	51.9	34%	0.343	27%	0.269	S	S	.	.	I	π-helix	trans	-75.8	-51.7	-176.9	-176.4	0	0	0	0	112.3	Y171 I173 K179	Y171-S175 WeakPolarHBondContact O-CB 3.32Å; Y171-S175 PolarHBondContact O-N 3.48Å; I173-S175 PolarHBondContact O-N 2.95Å; S175-K179 WeakPolarHBondContact O-CA 3.25Å; S175-K179 PolarHBondContact O-N 3.01Å
176	K	86.3	Confident	87.3	Confident	142 Å²	142	53.6 Å²	53.6	62%	0.617	29%	0.288	S	S	*	.	I	π-helix	trans	-84.1	-45.3	-172.8	-61.2	171.2	179.5	164.2	0	112.6	D172	D172-K176 HydrophobicContact CB-CD 4.44Å; D172-K176 VanDerWaalsContact O-CB 3.23Å; D172-K176 WeakPolarHBondContact O-CB 3.46Å; D172-K176 PolarHBondContact O-N 2.97Å; D172-K176 IonicContact OD1-NZ 3.41Å; D172-K176 IonicContact OD2-NZ 3.38Å; D172-K176 PolarHBondContact OD2-NZ 2.95Å
177	T	85.3	Confident	87.1	Confident	36 Å²	36	55.9 Å²	55.9	22%	0.221	30%	0.3	C	S	.	.	I	π-helix	trans	-87.7	-49.4	-172.8	-54.6	0	0	0	0	111.7	I173 K179 L236	I173-T177 WeakPolarHBondContact O-CA 3.44Å; I173-T177 VanDerWaalsContact O-CB 3.24Å; I173-T177 WeakPolarHBondContact O-CB 3.41Å; I173-T177 PolarHBondContact O-N 2.95Å; T177-K179 VanDerWaalsContact C-N 3.32Å; T177-L236 HydrophobicContact CG2-CB 3.92Å
178	L	85.4	Confident	87.2	Confident	30 Å²	30	55.1 Å²	55.1	16%	0.157	30%	0.296	C	S	.	.	S	Bend	trans	-81.3	-13.4	179.5	-61.1	178.1	0	0	0	113.3	I173 C174 L180 L191 S238	I173-L178 PolarHBondContact O-N 2.83Å; C174-L178 WeakPolarHBondContact O-CB 2.91Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 HydrophobicContact CB-CD1 4.27Å; L178-L180 HydrophobicContact CB-CG 4.05Å; L178-L180 HydrophobicContact CD1-CD1 4.41Å; L178-L180 PolarHBondContact O-N 3.14Å; L178-L191 HydrophobicContact CD1-CD1 4.47Å; L178-L191 HydrophobicContact CD1-CD2 4.34Å; L178-S238 VanDerWaalsContact O-CB 3.26Å; L178-S238 WeakPolarHBondContact O-CB 3.48Å; L178-S238 PolarHBondContact O-OG 3.13Å
179	K	87.3	Confident	87.3	Confident	150 Å²	150	54.1 Å²	54.1	65%	0.652	29%	0.292	S	S	*	.			trans	59.2	38.3	-179.3	-58	-177.4	177.4	179.5	0	112.8	C174 S175 T177	C174-K179 PolarHBondContact O-N 3.16Å; S175-K179 WeakPolarHBondContact O-CA 3.25Å; S175-K179 PolarHBondContact O-N 3.01Å; T177-K179 VanDerWaalsContact C-N 3.32Å
180	L	85.1	Confident	87.2	Confident	51 Å²	51	59.1 Å²	59.1	27%	0.267	31%	0.313	S	S	.	.			trans	-83.7	120.6	174.4	-62.1	176.4	0	0	0	109.1	C174 L178 T182 D187	C174-L180 HydrophobicContact CB-CD1 4.34Å; C174-L180 WeakPolarHBondContact O-CB 3.18Å; C174-L180 PolarHBondContact O-N 3.44Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 HydrophobicContact CB-CD1 4.27Å; L178-L180 HydrophobicContact CB-CG 4.05Å; L178-L180 HydrophobicContact CD1-CD1 4.41Å; L178-L180 PolarHBondContact O-N 3.14Å; L180-T182 VanDerWaalsContact C-N 3.3Å; L180-T182 PolarHBondContact O-N 3.32Å; L180-D187 HydrophobicContact CD1-CB 4.16Å
181	P	81.3	Confident	87.2	Confident	118 Å²	118	59.6 Å²	59.6	77%	0.766	32%	0.316	S	S	*	.	S	Bend	trans	-67.7	-30.9	-175.2	25.5	-32.9	0	0	0	112.8
182	T	83.9	Confident	87.3	Confident	109 Å²	109	55.9 Å²	55.9	67%	0.669	30%	0.302	S	S	*	.	S	Bend	trans	-137.6	90.2	178.6	52.9	0	0	0	0	109.4	L180 T184	L180-T182 VanDerWaalsContact C-N 3.3Å; L180-T182 PolarHBondContact O-N 3.32Å; T182-T184 PolarHBondContact O-N 3.19Å
183	P	85.7	Confident	87.3	Confident	21 Å²	21	53.9 Å²	53.9	14%	0.136	29%	0.291	C	S	.	.			trans	-62	131.1	176.5	-21.6	33.8	0	0	0	111.2	Y171 C174 L188	Y171-P183 HydrophobicContact CD2-CB 3.96Å; Y171-P183 HydrophobicContact CD2-CG 3.98Å; Y171-P183 HydrophobicContact CE2-CB 3.88Å; Y171-P183 HydrophobicContact CE2-CG 3.66Å; C174-P183 HydrophobicContact CB-CB 3.75Å; C174-P183 HydrophobicContact CB-CG 3.81Å; P183-L188 HydrophobicContact CB-CD1 4.17Å
184	T	87.9	Confident	87.2	Confident	76 Å²	76	54.6 Å²	54.6	47%	0.466	30%	0.297	S	S	.	.			trans	-104.9	158.9	174.6	67.5	0	0	0	0	110.8	T182 G186 D187 L188	T182-T184 PolarHBondContact O-N 3.19Å; T184-G186 PolarHBondContact O-N 3.07Å; T184-G186 VanDerWaalsContact O-N 3.08Å; T184-D187 PolarHBondContact N-OD2 3.44Å; T184-D187 WeakPolarHBondContact O-CB 3.47Å; T184-D187 PolarHBondContact O-N 2.81Å; T184-D187 PolarHBondContact OG1-OD2 2.79Å; T184-L188 WeakPolarHBondContact O-CD1 3.49Å; T184-L188 PolarHBondContact O-N 3.09Å
185	Y	84.9	Confident	87.3	Confident	118 Å²	118	54.7 Å²	54.7	46%	0.463	30%	0.298	S	S	.	.	H	α-helix	trans	-54.6	-28.6	173.2	-77.3	-71.9	0	0	0	113.1	V138 D187 L188 N189	V138-Y185 HydrophobicContact CG1-CE1 3.71Å; V138-Y185 WeakPolarHBondContact CG1-OH 3.31Å; V138-Y185 PolarHBondContact O-OH 2.96Å; V138-Y185 VanDerWaalsContact O-OH 3.06Å; Y185-D187 VanDerWaalsContact C-N 3.33Å; Y185-D187 PolarHBondContact O-N 2.83Å; Y185-L188 PolarHBondContact O-N 3.44Å; Y185-N189 VanDerWaalsContact O-CB 3.27Å; Y185-N189 WeakPolarHBondContact O-CB 3.11Å; Y185-N189 PolarHBondContact O-N 3.18Å; Y185-N189 PolarHBondContact O-ND2 3.21Å; Y185-N189 PolarHBondContact O-OD1 2.79Å
186	G	86.8	Confident	87.4	Confident	39 Å²	39	52.3 Å²	52.3	40%	0.402	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-37.5	173.2	0	0	0	0	0	113.3	T184 H190	T184-G186 PolarHBondContact O-N 3.07Å; T184-G186 VanDerWaalsContact O-N 3.08Å; G186-H190 WeakPolarHBondContact O-CB 3.47Å; G186-H190 PolarHBondContact O-N 3.32Å
187	D	87.9	Confident	87.4	Confident	48 Å²	48	45.6 Å²	45.6	26%	0.257	25%	0.252	S	S	.	.	H	α-helix	trans	-72	-41.8	177.6	-56.5	-59.3	0	0	0	111.2	L180 T184 Y185 H190 L191	L180-D187 HydrophobicContact CD1-CB 4.16Å; T184-D187 PolarHBondContact N-OD2 3.44Å; T184-D187 WeakPolarHBondContact O-CB 3.47Å; T184-D187 PolarHBondContact O-N 2.81Å; T184-D187 PolarHBondContact OG1-OD2 2.79Å; Y185-D187 VanDerWaalsContact C-N 3.33Å; Y185-D187 PolarHBondContact O-N 2.83Å; D187-H190 WeakPolarHBondContact O-CB 3.39Å; D187-H190 PolarHBondContact O-N 2.98Å; D187-L191 PolarHBondContact O-N 3.06Å
188	L	89.3	Confident	87.5	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-61.5	-49.5	174.9	-76.9	81	0	0	0	110.4	L170 P183 T184 Y185 H190 L191 V192	L170-L188 HydrophobicContact CB-CD2 3.89Å; L170-L188 HydrophobicContact CB-CG 3.97Å; L170-L188 HydrophobicContact CD1-CB 4.34Å; L170-L188 HydrophobicContact CD1-CD2 4.33Å; P183-L188 HydrophobicContact CB-CD1 4.17Å; T184-L188 WeakPolarHBondContact O-CD1 3.49Å; T184-L188 PolarHBondContact O-N 3.09Å; Y185-L188 PolarHBondContact O-N 3.44Å; L188-H190 PolarHBondContact O-N 2.87Å; L188-L191 WeakPolarHBondContact O-CB 3.48Å; L188-L191 PolarHBondContact O-N 3.12Å; L188-L191 VanDerWaalsContact O-N 3.08Å; L188-V192 WeakPolarHBondContact O-CG2 3.18Å; L188-V192 PolarHBondContact O-N 3.42Å
189	N	90.6	Very high	87.5	Confident	11 Å²	11	42.8 Å²	42.8	6%	0.059	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-31.4	179.1	-66.3	-13.8	0	0	0	111.9	I16 K19 Y185 V192 S193	I16-N189 HydrophobicContact CG1-CB 4.4Å; I16-N189 WeakPolarHBondContact CG1-OD1 3.26Å; K19-N189 HydrophobicContact CG-CB 4.2Å; Y185-N189 VanDerWaalsContact O-CB 3.27Å; Y185-N189 WeakPolarHBondContact O-CB 3.11Å; Y185-N189 PolarHBondContact O-N 3.18Å; Y185-N189 PolarHBondContact O-ND2 3.21Å; Y185-N189 PolarHBondContact O-OD1 2.79Å; N189-V192 PolarHBondContact O-N 3.04Å; N189-S193 WeakPolarHBondContact O-CB 3.44Å; N189-S193 PolarHBondContact O-N 3.13Å; N189-S193 PolarHBondContact O-OG 2.67Å
190	H	88.6	Confident	87.4	Confident	113 Å²	113	36 Å²	36	52%	0.523	21%	0.207	S	C	.	.	H	α-helix	trans	-63.9	-45.1	173.9	-174.9	59	0	0	0	111.9	G186 D187 L188 V192 S193 A194	G186-H190 WeakPolarHBondContact O-CB 3.47Å; G186-H190 PolarHBondContact O-N 3.32Å; D187-H190 WeakPolarHBondContact O-CB 3.39Å; D187-H190 PolarHBondContact O-N 2.98Å; L188-H190 PolarHBondContact O-N 2.87Å; H190-V192 PolarHBondContact O-N 3.23Å; H190-S193 WeakPolarHBondContact CA-OG 3.27Å; H190-S193 PolarHBondContact O-N 3.31Å; H190-S193 PolarHBondContact O-OG 3.31Å; H190-A194 PolarHBondContact O-N 3.39Å
191	L	89.2	Confident	87.3	Confident	11 Å²	11	33.5 Å²	33.5	6%	0.058	19%	0.194	C	C	.	.	H	α-helix	trans	-62.1	-42.8	175.2	-69.7	177.7	0	0	0	112.1	L170 I173 C174 L178 D187 L188 A194 T195 L236 M263	L170-L191 HydrophobicContact CD2-CB 3.87Å; L170-L191 HydrophobicContact CD2-CD1 4.08Å; I173-L191 HydrophobicContact CB-CD1 4.36Å; I173-L191 HydrophobicContact CG2-CD1 3.75Å; C174-L191 VanDerWaalsContact SG-CD1 3.54Å; L178-L191 HydrophobicContact CD1-CD1 4.47Å; L178-L191 HydrophobicContact CD1-CD2 4.34Å; D187-L191 PolarHBondContact O-N 3.06Å; L188-L191 WeakPolarHBondContact O-CB 3.48Å; L188-L191 PolarHBondContact O-N 3.12Å; L188-L191 VanDerWaalsContact O-N 3.08Å; L191-A194 PolarHBondContact O-N 2.79Å; L191-T195 PolarHBondContact O-N 3.17Å; L191-T195 PolarHBondContact O-OG1 3.36Å; L191-T195 VanDerWaalsContact O-OG1 3.13Å; L191-L236 HydrophobicContact CD2-CD2 3.58Å; L191-M263 HydrophobicContact CB-CE 4.26Å
192	V	91.4	Very high	87	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.012	16%	0.161	C	C	.	.	H	α-helix	trans	-63.1	-45.6	177.2	179	0	0	0	0	111.1	I16 I165 L170 L188 N189 H190 A194 T195 M196	I16-V192 HydrophobicContact CD1-CG1 4.22Å; I16-V192 HydrophobicContact CG1-CG1 4.45Å; I16-V192 HydrophobicContact CG2-CB 4.25Å; I16-V192 HydrophobicContact CG2-CG1 3.49Å; I16-V192 VanDerWaalsContact CG2-CG1 3.49Å; I165-V192 HydrophobicContact CD1-CG1 3.66Å; I165-V192 HydrophobicContact CD1-CG2 4.5Å; I165-V192 HydrophobicContact CG2-CG2 3.78Å; L170-V192 HydrophobicContact CD1-CG2 3.58Å; L170-V192 HydrophobicContact CD2-CG2 4.22Å; L188-V192 WeakPolarHBondContact O-CG2 3.18Å; L188-V192 PolarHBondContact O-N 3.42Å; N189-V192 PolarHBondContact O-N 3.04Å; H190-V192 PolarHBondContact O-N 3.23Å; V192-A194 VanDerWaalsContact C-N 3.29Å; V192-A194 PolarHBondContact O-N 3.48Å; V192-T195 WeakPolarHBondContact O-CB 3.28Å; V192-T195 PolarHBondContact O-N 3.22Å; V192-T195 VanDerWaalsContact O-N 3.17Å; V192-M196 HydrophobicContact CG1-CG 4.18Å; V192-M196 HydrophobicContact CG1-SD 3.95Å; V192-M196 WeakPolarHBondContact O-CG 3.46Å; V192-M196 PolarHBondContact O-N 2.87Å
193	S	89.9	Confident	86.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.4	-36.9	178.2	68.8	0	0	0	0	112.7	N189 H190 M196 S197	N189-S193 WeakPolarHBondContact O-CB 3.44Å; N189-S193 PolarHBondContact O-N 3.13Å; N189-S193 PolarHBondContact O-OG 2.67Å; H190-S193 WeakPolarHBondContact CA-OG 3.27Å; H190-S193 PolarHBondContact O-N 3.31Å; H190-S193 PolarHBondContact O-OG 3.31Å; S193-M196 PolarHBondContact O-N 2.84Å; S193-S197 VanDerWaalsContact O-CB 3.3Å; S193-S197 WeakPolarHBondContact O-CB 3.46Å; S193-S197 PolarHBondContact O-N 3.23Å
194	A	88.6	Confident	86.1	Confident	19 Å²	19	24.4 Å²	24.4	16%	0.157	13%	0.133	C	C	.	.	H	α-helix	trans	-65.8	-42.1	175.7	0	0	0	0	0	111.6	H190 L191 V192 S197 G198 F233	H190-A194 PolarHBondContact O-N 3.39Å; L191-A194 PolarHBondContact O-N 2.79Å; V192-A194 VanDerWaalsContact C-N 3.29Å; V192-A194 PolarHBondContact O-N 3.48Å; A194-S197 PolarHBondContact O-N 2.73Å; A194-G198 PolarHBondContact O-N 3.49Å; A194-F233 HydrophobicContact CB-CD2 4.34Å; A194-F233 HydrophobicContact CB-CE2 4.16Å; A194-F233 HydrophobicContact CB-CZ 4.27Å
195	T	89.9	Confident	85.6	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-63.2	-49.3	174.3	-61.2	0	0	0	0	111.5	L191 V192 S197 G198 V199 P231	L191-T195 PolarHBondContact O-N 3.17Å; L191-T195 PolarHBondContact O-OG1 3.36Å; L191-T195 VanDerWaalsContact O-OG1 3.13Å; V192-T195 WeakPolarHBondContact O-CB 3.28Å; V192-T195 PolarHBondContact O-N 3.22Å; V192-T195 VanDerWaalsContact O-N 3.17Å; T195-S197 VanDerWaalsContact C-N 3.32Å; T195-S197 PolarHBondContact O-N 2.86Å; T195-G198 WeakPolarHBondContact O-CA 3.33Å; T195-G198 PolarHBondContact O-N 3.09Å; T195-G198 VanDerWaalsContact O-N 3.08Å; T195-V199 HydrophobicContact CG2-CG2 4.44Å; T195-V199 WeakPolarHBondContact O-CG2 3.42Å; T195-V199 PolarHBondContact O-N 3.46Å; T195-P231 HydrophobicContact CG2-CB 3.53Å; T195-P231 HydrophobicContact CG2-CG 4.18Å
196	M	89.3	Confident	84.9	Confident	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.2	-42.4	177.8	-69.5	177.5	74	0	0	111.7	I16 F20 T99 F130 V192 S193 G198 T200	I16-M196 HydrophobicContact CG2-SD 3.5Å; I16-M196 WeakPolarHBondContact CG2-SD 3.47Å; F20-M196 HydrophobicContact CB-CE 4.28Å; F20-M196 HydrophobicContact CB-SD 4.27Å; F20-M196 HydrophobicContact CD1-CE 4.25Å; F20-M196 HydrophobicContact CD2-CB 3.43Å; F20-M196 VanDerWaalsContact CD2-CB 3.43Å; F20-M196 HydrophobicContact CD2-CE 3.98Å; F20-M196 HydrophobicContact CD2-CG 4.42Å; F20-M196 HydrophobicContact CD2-SD 4.23Å; F20-M196 HydrophobicContact CE2-CB 3.57Å; F20-M196 HydrophobicContact CE2-CE 4.27Å; F20-M196 HydrophobicContact CG-CB 4.42Å; F20-M196 HydrophobicContact CG-CE 3.92Å; F20-M196 HydrophobicContact CG-SD 4.36Å; T99-M196 HydrophobicContact CG2-CE 4.32Å; T99-M196 WeakPolarHBondContact OG1-CE 3.2Å; F130-M196 HydrophobicContact CD1-CG 3.69Å; F130-M196 HydrophobicContact CD1-SD 4.49Å; F130-M196 HydrophobicContact CD2-CE 3.94Å; F130-M196 HydrophobicContact CE1-CB 4.4Å; F130-M196 HydrophobicContact CE1-CG 3.71Å; F130-M196 HydrophobicContact CE2-CE 4.33Å; F130-M196 HydrophobicContact CG-CE 4.07Å; F130-M196 HydrophobicContact CG-CG 4.14Å; F130-M196 HydrophobicContact CG-SD 4.42Å; F130-M196 HydrophobicContact CZ-CG 4.2Å; V192-M196 HydrophobicContact CG1-CG 4.18Å; V192-M196 HydrophobicContact CG1-SD 3.95Å; V192-M196 WeakPolarHBondContact O-CG 3.46Å; V192-M196 PolarHBondContact O-N 2.87Å; S193-M196 PolarHBondContact O-N 2.84Å; M196-G198 VanDerWaalsContact C-N 3.32Å; M196-G198 PolarHBondContact O-N 3.12Å; M196-T200 WeakPolarHBondContact O-CB 3.48Å; M196-T200 WeakPolarHBondContact O-CG2 3.42Å; M196-T200 PolarHBondContact O-N 2.92Å; M196-T200 PolarHBondContact O-OG1 2.85Å
197	S	87.8	Confident	83.8	Confident	1 Å²	1	17.4 Å²	17.4	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-60.3	-43.2	173.8	174.4	0	0	0	0	111.3	E27 S193 A194 T195 T200 T201 R204 R281	E27-S197 VanDerWaalsContact CD-OG 3.23Å; E27-S197 PolarHBondContact OE1-OG 3.44Å; E27-S197 PolarHBondContact OE2-OG 3.01Å; S193-S197 VanDerWaalsContact O-CB 3.3Å; S193-S197 WeakPolarHBondContact O-CB 3.46Å; S193-S197 PolarHBondContact O-N 3.23Å; A194-S197 PolarHBondContact O-N 2.73Å; T195-S197 VanDerWaalsContact C-N 3.32Å; T195-S197 PolarHBondContact O-N 2.86Å; S197-T200 PolarHBondContact O-OG1 3.41Å; S197-T201 PolarHBondContact O-N 3.2Å; S197-T201 VanDerWaalsContact O-N 3.07Å; S197-T201 PolarHBondContact O-OG1 3.38Å; S197-R204 PolarHBondContact O-NH2 3.04Å; S197-R204 PolarHBondContact OG-NH2 3.27Å; S197-R281 PolarHBondContact OG-NH1 3.35Å; S197-R281 VanDerWaalsContact OG-NH1 3.08Å
198	G	86.5	Confident	82.4	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.1	-52	176.6	0	0	0	0	0	113.6	A194 T195 M196 T200 T201 T329	A194-G198 PolarHBondContact O-N 3.49Å; T195-G198 WeakPolarHBondContact O-CA 3.33Å; T195-G198 PolarHBondContact O-N 3.09Å; T195-G198 VanDerWaalsContact O-N 3.08Å; M196-G198 VanDerWaalsContact C-N 3.32Å; M196-G198 PolarHBondContact O-N 3.12Å; G198-T200 VanDerWaalsContact C-N 3.34Å; G198-T200 PolarHBondContact O-N 3.35Å; G198-T201 WeakPolarHBondContact O-CB 3.41Å; G198-T201 PolarHBondContact O-N 3.18Å; G198-T201 PolarHBondContact O-OG1 2.9Å; G198-T201 VanDerWaalsContact O-OG1 3.07Å; G198-T329 VanDerWaalsContact CA-OG1 3.32Å; G198-T329 WeakPolarHBondContact CA-OG1 3.45Å
199	V	86	Confident	81	Confident	7 Å²	7	26.5 Å²	26.5	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-60.1	-44.2	178.4	174.4	0	0	0	0	111.1	F130 F163 T195 T201 T329 I331	F130-V199 HydrophobicContact CZ-CB 4.44Å; F130-V199 HydrophobicContact CZ-CG1 4.24Å; F163-V199 HydrophobicContact CD1-CG2 4.41Å; F163-V199 HydrophobicContact CE1-CG1 3.77Å; F163-V199 HydrophobicContact CE1-CG2 4.1Å; F163-V199 HydrophobicContact CE2-CG1 4.07Å; F163-V199 HydrophobicContact CZ-CG1 3.48Å; F163-V199 VanDerWaalsContact CZ-CG1 3.48Å; T195-V199 HydrophobicContact CG2-CG2 4.44Å; T195-V199 WeakPolarHBondContact O-CG2 3.42Å; T195-V199 PolarHBondContact O-N 3.46Å; V199-T201 PolarHBondContact O-N 3.43Å; V199-T329 HydrophobicContact CG2-CG2 4.09Å; V199-I331 HydrophobicContact CB-CD1 4.37Å; V199-I331 HydrophobicContact CG1-CD1 4Å; V199-I331 HydrophobicContact CG2-CD1 3.91Å; V199-I331 HydrophobicContact CG2-CG1 4.03Å
200	T	85.4	Confident	79.6	Confident	6 Å²	6	26.4 Å²	26.4	4%	0.037	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-0.2	-178.7	60.3	0	0	0	0	113.9	F20 M196 S197 G198 C202 L203 R204	F20-T200 HydrophobicContact CE2-CG2 4.47Å; F20-T200 HydrophobicContact CZ-CG2 4.24Å; M196-T200 WeakPolarHBondContact O-CB 3.48Å; M196-T200 WeakPolarHBondContact O-CG2 3.42Å; M196-T200 PolarHBondContact O-N 2.92Å; M196-T200 PolarHBondContact O-OG1 2.85Å; S197-T200 PolarHBondContact O-OG1 3.41Å; G198-T200 VanDerWaalsContact C-N 3.34Å; G198-T200 PolarHBondContact O-N 3.35Å; T200-C202 VanDerWaalsContact C-N 3.31Å; T200-C202 PolarHBondContact O-N 3.35Å; T200-L203 HydrophobicContact CG2-CD1 4.24Å; T200-L203 WeakPolarHBondContact O-CB 3.47Å; T200-L203 PolarHBondContact O-N 3.34Å; T200-L203 VanDerWaalsContact O-N 3.07Å; T200-R204 WeakPolarHBondContact O-CG 3.5Å; T200-R204 PolarHBondContact O-N 3.13Å; T200-R204 PolarHBondContact OG1-NE 3.48Å
201	T	82.7	Confident	78.3	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.5	-42.3	-178	-65.7	0	0	0	0	111.5	S197 G198 V199 L203 R204 F205 R281 C317	S197-T201 PolarHBondContact O-N 3.2Å; S197-T201 VanDerWaalsContact O-N 3.07Å; S197-T201 PolarHBondContact O-OG1 3.38Å; G198-T201 WeakPolarHBondContact O-CB 3.41Å; G198-T201 PolarHBondContact O-N 3.18Å; G198-T201 PolarHBondContact O-OG1 2.9Å; G198-T201 VanDerWaalsContact O-OG1 3.07Å; V199-T201 PolarHBondContact O-N 3.43Å; T201-L203 PolarHBondContact O-N 3.03Å; T201-R204 PolarHBondContact O-N 3.08Å; T201-F205 HydrophobicContact CG2-CD2 3.87Å; T201-F205 PolarHBondContact O-N 3.46Å; T201-R281 HydrophobicContact CG2-CG 3.97Å; T201-R281 WeakPolarHBondContact OG1-CD 3.4Å; T201-R281 PolarHBondContact OG1-NE 3.01Å; T201-R281 PolarHBondContact OG1-NH1 3.28Å; T201-C317 HydrophobicContact CG2-CB 3.7Å
202	C	73.9	Confident	77.5	Confident	11 Å²	11	22.7 Å²	22.7	7%	0.074	13%	0.131	C	C	.	.	H	α-helix	trans	-67.8	-19.1	-179.9	-56.4	0	0	0	0	113.3	R46 T200 N210	R46-C202 PolarHBondContact NH1-O 3.04Å; T200-C202 VanDerWaalsContact C-N 3.31Å; T200-C202 PolarHBondContact O-N 3.35Å; C202-N210 HydrophobicContact CB-CB 4.41Å; C202-N210 WeakPolarHBondContact CB-O 3.45Å
203	L	76.3	Confident	76.8	Confident	21 Å²	21	22.8 Å²	22.8	11%	0.11	13%	0.131	C	C	.	.	H	α-helix	trans	-87.6	-34.7	177.7	-52.2	169.7	0	0	0	110.9	I4 R46 T200 T201 L213	I4-L203 HydrophobicContact CD1-CB 4.26Å; I4-L203 HydrophobicContact CD1-CD1 3.63Å; I4-L203 HydrophobicContact CD1-CG 4.38Å; R46-L203 WeakPolarHBondContact CD-O 3.39Å; R46-L203 PolarHBondContact NH1-O 2.77Å; T200-L203 HydrophobicContact CG2-CD1 4.24Å; T200-L203 WeakPolarHBondContact O-CB 3.47Å; T200-L203 PolarHBondContact O-N 3.34Å; T200-L203 VanDerWaalsContact O-N 3.07Å; T201-L203 PolarHBondContact O-N 3.03Å; L203-L213 HydrophobicContact CD1-CD2 3.32Å; L203-L213 HydrophobicContact CD1-CG 3.92Å; L203-L213 HydrophobicContact CD2-CD2 3.91Å; L203-L213 HydrophobicContact CD2-CG 3.95Å; L203-L213 HydrophobicContact CG-CD2 4.22Å
204	R	75.9	Confident	76.5	Confident	25 Å²	25	28.4 Å²	28.4	9%	0.094	15%	0.152	C	C	.	.	H	α-helix	trans	-88.3	-33.1	-176.3	-66.2	-177.4	-63.6	113	-3.5	113.9	E27 H28 R46 S197 T200 T201	E27-R204 IonicContact OE2-CZ 2.82Å; E27-R204 VanDerWaalsContact OE2-CZ 3.26Å; E27-R204 IonicContact OE2-NH1 3.78Å; E27-R204 PolarHBondContact OE2-NH1 3.48Å; E27-R204 IonicContact OE2-NH2 3.4Å; E27-R204 PolarHBondContact OE2-NH2 3.3Å; H28-R204 PolarHBondContact NE2-NH1 3.17Å; H28-R204 VanDerWaalsContact NE2-NH1 3.15Å; R46-R204 WeakPolarHBondContact CB-O 3.48Å; R46-R204 WeakPolarHBondContact CD-O 3.38Å; S197-R204 PolarHBondContact O-NH2 3.04Å; S197-R204 PolarHBondContact OG-NH2 3.27Å; T200-R204 WeakPolarHBondContact O-CG 3.5Å; T200-R204 PolarHBondContact O-N 3.13Å; T200-R204 PolarHBondContact OG1-NE 3.48Å; T201-R204 PolarHBondContact O-N 3.08Å
205	F	76	Confident	76.3	Confident	1 Å²	1	33.3 Å²	33.3	0%	0.004	17%	0.17	C	C	.	.	S	Bend	trans	-113.9	151.1	-177.5	-61.2	-64.9	0	0	0	111.5	H28 T201 G207 I319	H28-F205 AromaticContact CE1-CE1 3.73Å; H28-F205 AromaticContact CE1-CZ 3.9Å; H28-F205 AromaticContact NE2-CZ 3.8Å; T201-F205 HydrophobicContact CG2-CD2 3.87Å; T201-F205 PolarHBondContact O-N 3.46Å; F205-G207 PolarHBondContact O-N 2.96Å; F205-I319 HydrophobicContact CD1-CD1 3.39Å; F205-I319 HydrophobicContact CE1-CD1 3.51Å; F205-I319 HydrophobicContact CE1-CG2 4.31Å; F205-I319 HydrophobicContact CE2-CG2 4.4Å; F205-I319 HydrophobicContact CG-CD1 4.05Å; F205-I319 HydrophobicContact CZ-CD1 4.27Å; F205-I319 HydrophobicContact CZ-CG2 4.05Å
206	P	70	Confident	76	Confident	57 Å²	57	33.8 Å²	33.8	37%	0.37	17%	0.172	S	C	.	.			trans	-64.9	119.7	173.8	26.8	-32.7	0	0	0	109.7	L42	L42-P206 HydrophobicContact CD2-CG 3.68Å
207	G	65.3	Low	75.8	Confident	28 Å²	28	34.3 Å²	34.3	29%	0.289	18%	0.177	S	C	.	.			trans	-137.1	153	176.3	0	0	0	0	0	110.8	F205	F205-G207 PolarHBondContact O-N 2.96Å
208	Q	57.8	Low	75.8	Confident	171 Å²	171	39.6 Å²	39.6	80%	0.799	21%	0.208	S	C	*	.	S	Bend	trans	-75.2	-28.1	-178.1	-67.2	-176.7	-12	0	0	113
209	L	60.1	Low	75.9	Confident	72 Å²	72	42.1 Å²	42.1	38%	0.377	22%	0.222	S	C	.	.	S	Bend	trans	-124.7	141.8	-172.7	-126.2	129.6	0	0	0	110.9	A211 K313 A315	L209-A211 PolarHBondContact O-N 3.3Å; L209-K313 HydrophobicContact CD2-CB 4.21Å; L209-A315 HydrophobicContact CB-CB 4.32Å
210	N	60.9	Low	75.9	Confident	8 Å²	8	41.8 Å²	41.8	4%	0.043	22%	0.22	C	C	.	.			trans	56.6	39	-178	-61.9	-21.9	0	0	0	115.7	C202 D212 N219	C202-N210 HydrophobicContact CB-CB 4.41Å; C202-N210 WeakPolarHBondContact CB-O 3.45Å; N210-D212 PolarHBondContact O-N 2.76Å; N210-N219 PolarHBondContact OD1-ND2 3.48Å
211	A	61.7	Low	76	Confident	23 Å²	23	42.8 Å²	42.8	19%	0.19	23%	0.226	C	C	.	.			trans	-68.2	4.6	-179.5	0	0	0	0	0	115.5	L209	L209-A211 PolarHBondContact O-N 3.3Å
212	D	71.6	Confident	76.2	Confident	24 Å²	24	44.9 Å²	44.9	13%	0.128	24%	0.24	C	C	.	.	S	Bend	trans	-149.5	146.5	-174.5	-158.7	-6.4	0	0	0	110.9	R2 Q94 N210 R214 K215 L216	R2-D212 IonicContact CZ-OD2 3.68Å; R2-D212 VanDerWaalsContact NH1-CB 3.34Å; R2-D212 IonicContact NH1-OD1 3.53Å; R2-D212 IonicContact NH1-OD2 2.9Å; R2-D212 PolarHBondContact NH1-OD2 3.09Å; R2-D212 IonicContact NH2-OD2 3.57Å; Q94-D212 VanDerWaalsContact CD-OD1 3.31Å; Q94-D212 PolarHBondContact NE2-OD1 3.06Å; N210-D212 PolarHBondContact O-N 2.76Å; D212-R214 VanDerWaalsContact C-N 3.31Å; D212-R214 PolarHBondContact O-N 2.91Å; D212-K215 HydrophobicContact CB-CB 4.16Å; D212-K215 HydrophobicContact CB-CD 4.38Å; D212-K215 HydrophobicContact CB-CG 4.1Å; D212-K215 PolarHBondContact O-N 2.72Å; D212-K215 VanDerWaalsContact O-N 3.14Å; D212-L216 PolarHBondContact O-N 3.4Å
213	L	76.8	Confident	76.9	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-57.4	-46.4	173.6	-73.5	-177	0	0	0	111	I4 Q94 I126 N128 L203 K215 L216 A217	I4-L213 HydrophobicContact CD1-CD1 3.81Å; I4-L213 HydrophobicContact CD1-CG 4.15Å; I4-L213 HydrophobicContact CG1-CD1 3.97Å; I4-L213 HydrophobicContact CG2-CD1 4.49Å; Q94-L213 HydrophobicContact CB-CD1 4.43Å; I126-L213 HydrophobicContact CB-CB 4.38Å; I126-L213 HydrophobicContact CG2-CB 4.09Å; N128-L213 WeakPolarHBondContact ND2-CD2 3.39Å; L203-L213 HydrophobicContact CD1-CD2 3.32Å; L203-L213 HydrophobicContact CD1-CG 3.92Å; L203-L213 HydrophobicContact CD2-CD2 3.91Å; L203-L213 HydrophobicContact CD2-CG 3.95Å; L203-L213 HydrophobicContact CG-CD2 4.22Å; L213-K215 PolarHBondContact O-N 3.38Å; L213-L216 WeakPolarHBondContact O-CB 3.47Å; L213-L216 PolarHBondContact O-N 2.81Å; L213-A217 PolarHBondContact O-N 3.02Å
214	R	84.3	Confident	77.3	Confident	118 Å²	118	51.5 Å²	51.5	45%	0.445	28%	0.278	S	S	.	.	H	α-helix	trans	-60.1	-34	177.8	-175.3	171.5	-67.2	-75.7	-0.2	113.2	D124 I126 D212 V218	D124-R214 PolarHBondContact O-NH2 3.22Å; I126-R214 HydrophobicContact CD1-CB 4.43Å; I126-R214 HydrophobicContact CD1-CG 4.49Å; I126-R214 HydrophobicContact CG1-CB 4.02Å; D212-R214 VanDerWaalsContact C-N 3.31Å; D212-R214 PolarHBondContact O-N 2.91Å; R214-V218 VanDerWaalsContact O-CG2 3.26Å; R214-V218 WeakPolarHBondContact O-CG2 3.42Å; R214-V218 PolarHBondContact O-N 3.06Å; R214-V218 VanDerWaalsContact O-N 3.12Å
215	K	84.5	Confident	78	Confident	123 Å²	123	53.8 Å²	53.8	54%	0.535	29%	0.286	S	S	.	.	H	α-helix	trans	-73.9	-34.3	177	-75.2	-173.8	176.2	-174.5	0	111.8	D212 L213 N219	D212-K215 HydrophobicContact CB-CB 4.16Å; D212-K215 HydrophobicContact CB-CD 4.38Å; D212-K215 HydrophobicContact CB-CG 4.1Å; D212-K215 PolarHBondContact O-N 2.72Å; D212-K215 VanDerWaalsContact O-N 3.14Å; L213-K215 PolarHBondContact O-N 3.38Å; K215-N219 WeakPolarHBondContact O-CB 3.47Å; K215-N219 VanDerWaalsContact O-CG 3.24Å; K215-N219 PolarHBondContact O-N 3.48Å; K215-N219 PolarHBondContact O-ND2 3.07Å; K215-N219 VanDerWaalsContact O-ND2 3.15Å
216	L	83.1	Confident	78.7	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.052	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-48.2	172.8	-173.9	65.8	0	0	0	109.7	F163 D212 L213 V218 N219 M220 I331	F163-L216 HydrophobicContact CZ-CD2 4.29Å; D212-L216 PolarHBondContact O-N 3.4Å; L213-L216 WeakPolarHBondContact O-CB 3.47Å; L213-L216 PolarHBondContact O-N 2.81Å; L216-V218 PolarHBondContact O-N 3.35Å; L216-N219 PolarHBondContact O-N 3.43Å; L216-N219 VanDerWaalsContact O-N 3.14Å; L216-M220 HydrophobicContact CD1-CG 3.84Å; L216-M220 HydrophobicContact CG-CG 4.26Å; L216-M220 VanDerWaalsContact O-CB 3.32Å; L216-M220 WeakPolarHBondContact O-CB 3.48Å; L216-M220 VanDerWaalsContact O-CG 3.29Å; L216-M220 WeakPolarHBondContact O-CG 3.49Å; L216-M220 PolarHBondContact O-N 3.1Å; L216-I331 HydrophobicContact CD1-CD1 4.35Å; L216-I331 HydrophobicContact CD2-CD1 4.44Å
217	A	85.9	Confident	79.8	Confident	12 Å²	12	51 Å²	51	10%	0.099	27%	0.269	C	S	.	.	H	α-helix	trans	-56.7	-52.6	179.4	0	0	0	0	0	111.6	I126 E161 L213 N219 M220 V221	I126-A217 HydrophobicContact CD1-CB 4.45Å; E161-A217 HydrophobicContact CG-CB 4.11Å; E161-A217 WeakPolarHBondContact OE1-CA 3.31Å; E161-A217 WeakPolarHBondContact OE1-CB 3.43Å; E161-A217 PolarHBondContact OE1-N 3.04Å; L213-A217 PolarHBondContact O-N 3.02Å; A217-N219 PolarHBondContact O-N 2.98Å; A217-M220 PolarHBondContact O-N 3.43Å; A217-M220 VanDerWaalsContact O-N 3.15Å; A217-V221 WeakPolarHBondContact O-CB 3.36Å; A217-V221 PolarHBondContact O-N 3.35Å
218	V	87.3	Confident	81.2	Confident	111 Å²	111	49.8 Å²	49.8	67%	0.673	26%	0.256	S	S	*	.	H	α-helix	trans	-61.2	-32.2	-179.6	171.4	0	0	0	0	112.6	R214 L216	R214-V218 VanDerWaalsContact O-CG2 3.26Å; R214-V218 WeakPolarHBondContact O-CG2 3.42Å; R214-V218 PolarHBondContact O-N 3.06Å; R214-V218 VanDerWaalsContact O-N 3.12Å; L216-V218 PolarHBondContact O-N 3.35Å
219	N	87.7	Confident	83	Confident	54 Å²	54	41.7 Å²	41.7	29%	0.289	22%	0.217	S	C	.	.	H	α-helix	trans	-82.2	-25.6	179.5	-75.2	-26.7	0	0	0	113.3	N210 K215 L216 A217 K313	N210-N219 PolarHBondContact OD1-ND2 3.48Å; K215-N219 WeakPolarHBondContact O-CB 3.47Å; K215-N219 VanDerWaalsContact O-CG 3.24Å; K215-N219 PolarHBondContact O-N 3.48Å; K215-N219 PolarHBondContact O-ND2 3.07Å; K215-N219 VanDerWaalsContact O-ND2 3.15Å; L216-N219 PolarHBondContact O-N 3.43Å; L216-N219 VanDerWaalsContact O-N 3.14Å; A217-N219 PolarHBondContact O-N 2.98Å; N219-K313 HydrophobicContact CB-CG 4.34Å
220	M	86.2	Confident	84.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-107.4	-25.6	-169.8	-67.2	-59.2	-59.2	0	0	113.7	L216 A217 P222 F229 T275 A277 I331 N333	L216-M220 HydrophobicContact CD1-CG 3.84Å; L216-M220 HydrophobicContact CG-CG 4.26Å; L216-M220 VanDerWaalsContact O-CB 3.32Å; L216-M220 WeakPolarHBondContact O-CB 3.48Å; L216-M220 VanDerWaalsContact O-CG 3.29Å; L216-M220 WeakPolarHBondContact O-CG 3.49Å; L216-M220 PolarHBondContact O-N 3.1Å; A217-M220 PolarHBondContact O-N 3.43Å; A217-M220 VanDerWaalsContact O-N 3.15Å; M220-P222 WeakPolarHBondContact O-CD 3.37Å; M220-F229 HydrophobicContact CB-CE1 3.62Å; M220-F229 HydrophobicContact CB-CE2 4.3Å; M220-F229 HydrophobicContact CB-CZ 3.41Å; M220-F229 VanDerWaalsContact CB-CZ 3.41Å; M220-F229 HydrophobicContact CE-CD1 4.44Å; M220-F229 HydrophobicContact CE-CE1 4.39Å; M220-F229 HydrophobicContact CG-CZ 4.4Å; M220-T275 WeakPolarHBondContact CA-OG1 3.32Å; M220-T275 WeakPolarHBondContact CE-OG1 3.33Å; M220-T275 PolarHBondContact O-OG1 2.81Å; M220-A277 HydrophobicContact CE-CB 4.27Å; M220-A277 HydrophobicContact CG-CB 4.5Å; M220-A277 HydrophobicContact SD-CB 3.5Å; M220-A277 WeakPolarHBondContact SD-CB 3.45Å; M220-I331 HydrophobicContact CE-CB 4.29Å; M220-I331 HydrophobicContact CE-CG2 3.91Å; M220-I331 VanDerWaalsContact CE-O 3.25Å; M220-I331 WeakPolarHBondContact CE-O 3.34Å; M220-N333 PolarHBondContact O-ND2 2.89Å
221	V	89.2	Confident	86.1	Confident	27 Å²	27	37.9 Å²	37.9	16%	0.164	20%	0.198	C	C	.	.			trans	-106.8	96.7	-176.8	-173.5	0	0	0	0	108.8	A217 F223 H227 F229	A217-V221 WeakPolarHBondContact O-CB 3.36Å; A217-V221 PolarHBondContact O-N 3.35Å; V221-F223 WeakPolarHBondContact CG1-O 3.43Å; V221-H227 HydrophobicContact CG1-CB 4.03Å; V221-H227 HydrophobicContact CG2-CB 3.9Å; V221-F229 HydrophobicContact CG2-CE1 4.09Å; V221-F229 HydrophobicContact CG2-CZ 3.55Å
222	P	85.9	Confident	87.5	Confident	44 Å²	44	36.9 Å²	36.9	29%	0.286	19%	0.189	S	C	.	.	S	Bend	trans	-69.8	-37.9	174.4	27.7	-32.7	0	0	0	111.3	M220 L274	M220-P222 WeakPolarHBondContact O-CD 3.37Å; P222-L274 HydrophobicContact CG-CB 4.31Å; P222-L274 HydrophobicContact CG-CD1 4.3Å
223	F	88.3	Confident	88.4	Confident	58 Å²	58	36.4 Å²	36.4	25%	0.254	19%	0.186	S	C	.	.	S	Bend	trans	-126.7	136.5	-178.4	-59.4	-72	0	0	0	110.7	V221 R225 L226 W307 Y388	V221-F223 WeakPolarHBondContact CG1-O 3.43Å; F223-R225 PolarHBondContact O-N 3.02Å; F223-L226 HydrophobicContact CB-CB 4.42Å; F223-L226 HydrophobicContact CB-CD1 4.35Å; F223-L226 HydrophobicContact CB-CG 4.23Å; F223-L226 HydrophobicContact CD2-CD1 4.02Å; F223-L226 PolarHBondContact O-N 3.25Å; F223-W307 AromaticContact CE2-CH2 3.61Å; F223-W307 HydrophobicContact CE2-CH2 3.61Å; F223-W307 HydrophobicContact CE2-CZ2 4.38Å; F223-W307 HydrophobicContact CE2-CZ3 4.33Å; F223-W307 HydrophobicContact CZ-CH2 4.04Å; F223-W307 HydrophobicContact CZ-CZ3 4.35Å; F223-Y388 HydrophobicContact CD2-CD2 4.47Å; F223-Y388 HydrophobicContact CD2-CE1 4.06Å; F223-Y388 AromaticContact CD2-CE2 3.99Å; F223-Y388 HydrophobicContact CD2-CE2 3.99Å; F223-Y388 AromaticContact CD2-CZ 3.76Å; F223-Y388 HydrophobicContact CE1-CE1 4.28Å; F223-Y388 AromaticContact CE2-CD1 3.74Å; F223-Y388 HydrophobicContact CE2-CD1 3.74Å; F223-Y388 HydrophobicContact CE2-CD2 4.44Å; F223-Y388 AromaticContact CE2-CE1 3.25Å; F223-Y388 HydrophobicContact CE2-CE1 3.25Å; F223-Y388 HydrophobicContact CE2-CE2 4.03Å; F223-Y388 HydrophobicContact CE2-CG 4.31Å; F223-Y388 AromaticContact CE2-CZ 3.41Å; F223-Y388 VanDerWaalsContact CE2-CZ 3.41Å; F223-Y388 HydrophobicContact CG-CE2 4.49Å; F223-Y388 HydrophobicContact CZ-CD1 4.25Å; F223-Y388 AromaticContact CZ-CE1 3.4Å; F223-Y388 HydrophobicContact CZ-CE1 3.4Å; F223-Y388 AromaticContact CZ-CZ 3.6Å; F223-Y388 WeakPolarHBondContact CZ-OH 3.31Å
224	P	85.1	Confident	89.1	Confident	112 Å²	112	36.3 Å²	36.3	73%	0.727	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.2	-171.6	-28.5	35.1	0	0	0	116.1	H227	P224-H227 PolarHBondContact O-ND1 3.15Å; P224-H227 VanDerWaalsContact O-ND1 3.09Å
225	R	89.7	Confident	89.3	Confident	73 Å²	73	31 Å²	31	28%	0.275	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-16.7	179.5	-68.4	172.8	63	94	-3.1	113.5	I156 F223 H227 N377 L381 E384	I156-R225 HydrophobicContact CG2-CB 4.46Å; I156-R225 HydrophobicContact CG2-CG 4.19Å; F223-R225 PolarHBondContact O-N 3.02Å; R225-H227 VanDerWaalsContact C-ND1 3.33Å; R225-H227 PolarHBondContact O-N 2.92Å; R225-H227 PolarHBondContact O-ND1 3.36Å; R225-N377 PolarHBondContact NH1-OD1 3.23Å; R225-N377 PolarHBondContact NH2-OD1 3.11Å; R225-L381 WeakPolarHBondContact O-CD1 3.49Å; R225-E384 WeakPolarHBondContact CB-OE2 3.41Å; R225-E384 IonicContact CZ-OE1 3.78Å; R225-E384 IonicContact NE-OE1 3.62Å; R225-E384 PolarHBondContact NE-OE1 3.31Å; R225-E384 IonicContact NE-OE2 2.76Å; R225-E384 PolarHBondContact NE-OE2 2.67Å; R225-E384 IonicContact NH2-OE1 2.76Å; R225-E384 PolarHBondContact NH2-OE1 3.02Å
226	L	91.9	Very high	89.3	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.143	C	C	.	.			trans	-101.9	55.5	-176.5	-53.8	-173.2	0	0	0	111.2	F223 L274 N333 L381 E384 Y385 Y388	F223-L226 HydrophobicContact CB-CB 4.42Å; F223-L226 HydrophobicContact CB-CD1 4.35Å; F223-L226 HydrophobicContact CB-CG 4.23Å; F223-L226 HydrophobicContact CD2-CD1 4.02Å; F223-L226 PolarHBondContact O-N 3.25Å; L226-L274 HydrophobicContact CD1-CD1 4.15Å; L226-N333 PolarHBondContact O-ND2 3.21Å; L226-L381 HydrophobicContact CD2-CD1 3.89Å; L226-E384 HydrophobicContact CD2-CB 4.17Å; L226-Y385 HydrophobicContact CB-CE1 4.09Å; L226-Y385 HydrophobicContact CD1-CD1 4.4Å; L226-Y385 HydrophobicContact CD1-CE1 4.33Å; L226-Y385 HydrophobicContact CD2-CD1 3.97Å; L226-Y385 HydrophobicContact CD2-CD2 3.89Å; L226-Y385 HydrophobicContact CD2-CE1 3.78Å; L226-Y385 HydrophobicContact CD2-CE2 3.67Å; L226-Y385 HydrophobicContact CD2-CG 4.04Å; L226-Y385 HydrophobicContact CG-CE1 4.28Å; L226-Y388 HydrophobicContact CD1-CD2 3.53Å; L226-Y388 HydrophobicContact CD1-CE2 3.84Å; L226-Y388 HydrophobicContact CD1-CG 4.39Å
227	H	93.7	Very high	89.1	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.			trans	-105.5	15.7	-177.5	57.9	-67	0	0	0	114	L155 I156 A159 D160 T162 V221 P224 R225	L155-H227 PolarHBondContact O-NE2 2.91Å; I156-H227 PolarHBondContact O-CE1 2.95Å; I156-H227 VanDerWaalsContact O-CE1 3.32Å; A159-H227 PolarHBondContact O-CD2 2.85Å; A159-H227 PolarHBondContact O-NE2 3.41Å; D160-H227 WeakPolarHBondContact O-CB 3.29Å; T162-H227 PolarHBondContact N-O 3.17Å; V221-H227 HydrophobicContact CG1-CB 4.03Å; V221-H227 HydrophobicContact CG2-CB 3.9Å; P224-H227 PolarHBondContact O-ND1 3.15Å; P224-H227 VanDerWaalsContact O-ND1 3.09Å; R225-H227 VanDerWaalsContact C-ND1 3.33Å; R225-H227 PolarHBondContact O-N 2.92Å; R225-H227 PolarHBondContact O-ND1 3.36Å
228	F	94.6	Very high	88.6	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	116.5	175.6	-60.9	-81.1	0	0	0	110.9	V152 L155 I156 T162 I337 F341 L381 Y385	V152-F228 HydrophobicContact CG1-CZ 4.4Å; L155-F228 HydrophobicContact CB-CE1 4.49Å; I156-F228 HydrophobicContact CG1-CE2 3.94Å; I156-F228 HydrophobicContact CG1-CZ 3.8Å; T162-F228 HydrophobicContact CG2-CD1 3.67Å; T162-F228 HydrophobicContact CG2-CE1 3.85Å; T162-F228 WeakPolarHBondContact O-CA 3.48Å; F228-I337 HydrophobicContact CB-CG1 4.32Å; F228-F341 HydrophobicContact CB-CE2 4.39Å; F228-F341 HydrophobicContact CB-CZ 4.28Å; F228-F341 AromaticContact CD1-CZ 3.76Å; F228-F341 HydrophobicContact CD1-CZ 3.76Å; F228-F341 HydrophobicContact CD2-CE2 4.17Å; F228-F341 AromaticContact CD2-CZ 3.89Å; F228-F341 HydrophobicContact CD2-CZ 3.89Å; F228-F341 AromaticContact CE1-CZ 4Å; F228-F341 HydrophobicContact CE1-CZ 4Å; F228-F341 HydrophobicContact CE2-CZ 4.13Å; F228-F341 HydrophobicContact CG-CE2 4.14Å; F228-F341 AromaticContact CG-CZ 3.69Å; F228-F341 HydrophobicContact CG-CZ 3.69Å; F228-F341 HydrophobicContact CZ-CZ 4.18Å; F228-L381 HydrophobicContact CD2-CD1 4.49Å; F228-L381 HydrophobicContact CD2-CD2 3.99Å; F228-L381 HydrophobicContact CE2-CD1 4.17Å; F228-L381 HydrophobicContact CE2-CD2 3.48Å; F228-L381 VanDerWaalsContact CE2-CD2 3.48Å; F228-L381 HydrophobicContact CE2-CG 4.47Å; F228-L381 HydrophobicContact CZ-CD2 4.21Å; F228-Y385 HydrophobicContact CD2-CE2 4.38Å
229	F	94.3	Very high	87.9	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	143.8	-178.4	-56.1	-41.4	0	0	0	112.4	E161 T162 F163 C164 M220 V221 P231 I331 G332 N333	E161-F229 HydrophobicContact CB-CD2 4.46Å; E161-F229 HydrophobicContact CB-CE2 3.77Å; E161-F229 HydrophobicContact CG-CE2 3.83Å; E161-F229 HydrophobicContact CG-CZ 4.35Å; T162-F229 PolarHBondContact O-N 3.07Å; F163-F229 HydrophobicContact CD1-CB 4.03Å; F163-F229 HydrophobicContact CD1-CD2 4.02Å; F163-F229 HydrophobicContact CE1-CB 4.3Å; F163-F229 AromaticContact CE1-CD2 3.64Å; F163-F229 HydrophobicContact CE1-CD2 3.64Å; F163-F229 HydrophobicContact CE1-CE2 4.46Å; F163-F229 HydrophobicContact CE1-CG 4.4Å; F163-F229 HydrophobicContact CE2-CD2 4.49Å; F163-F229 AromaticContact CZ-CD2 3.89Å; F163-F229 HydrophobicContact CZ-CD2 3.89Å; F163-F229 HydrophobicContact CZ-CE2 4.33Å; C164-F229 WeakPolarHBondContact CB-O 3.3Å; C164-F229 PolarHBondContact N-O 3.49Å; M220-F229 HydrophobicContact CB-CE1 3.62Å; M220-F229 HydrophobicContact CB-CE2 4.3Å; M220-F229 HydrophobicContact CB-CZ 3.41Å; M220-F229 VanDerWaalsContact CB-CZ 3.41Å; M220-F229 HydrophobicContact CE-CD1 4.44Å; M220-F229 HydrophobicContact CE-CE1 4.39Å; M220-F229 HydrophobicContact CG-CZ 4.4Å; V221-F229 HydrophobicContact CG2-CE1 4.09Å; V221-F229 HydrophobicContact CG2-CZ 3.55Å; F229-P231 VanDerWaalsContact O-CD 3.31Å; F229-P231 WeakPolarHBondContact O-CD 3.31Å; F229-I331 HydrophobicContact CB-CG2 3.74Å; F229-I331 HydrophobicContact CD1-CG2 4.39Å; F229-I331 HydrophobicContact CD2-CG2 4Å; F229-I331 HydrophobicContact CG-CG2 3.79Å; F229-G332 WeakPolarHBondContact CA-O 3.23Å; F229-N333 HydrophobicContact CD1-CB 4.01Å; F229-N333 HydrophobicContact CE1-CB 4.15Å
230	M	92.4	Very high	87	Confident	1 Å²	1	32 Å²	32	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	104.3	168.1	-65	-179.6	71.7	0	0	109.1	M262 A264 C266 P268 G332 N334 I337	M230-M262 HydrophobicContact CE-CB 4.39Å; M230-M262 HydrophobicContact CE-CG 4.39Å; M230-A264 HydrophobicContact CE-CB 3.96Å; M230-A264 HydrophobicContact CG-CB 4.13Å; M230-C266 HydrophobicContact CE-CB 3.66Å; M230-C266 HydrophobicContact SD-CB 4.49Å; M230-P268 HydrophobicContact CE-CG 4.39Å; M230-G332 PolarHBondContact N-O 2.75Å; M230-G332 PolarHBondContact O-N 3.44Å; M230-N334 HydrophobicContact SD-CB 4Å; M230-I337 HydrophobicContact CG-CB 4.44Å; M230-I337 HydrophobicContact CG-CD1 3.58Å; M230-I337 HydrophobicContact SD-CB 4.44Å; M230-I337 HydrophobicContact SD-CD1 4.32Å
231	P	93.2	Very high	86.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	150.9	175.2	28.1	-24.2	0	0	0	111.2	C164 I165 T195 F229 M263 F330	C164-P231 WeakPolarHBondContact O-CD 3.47Å; I165-P231 HydrophobicContact CG1-CG 4.14Å; T195-P231 HydrophobicContact CG2-CB 3.53Å; T195-P231 HydrophobicContact CG2-CG 4.18Å; F229-P231 VanDerWaalsContact O-CD 3.31Å; F229-P231 WeakPolarHBondContact O-CD 3.31Å; P231-M263 HydrophobicContact CG-CB 4.08Å; P231-M263 VanDerWaalsContact O-CB 3.31Å; P231-M263 WeakPolarHBondContact O-CB 3.4Å; P231-M263 WeakPolarHBondContact O-CG 3.23Å; P231-M263 PolarHBondContact O-N 3.29Å; P231-F330 CarbonylContact C-O 3.45Å; P231-F330 WeakPolarHBondContact CA-O 3.42Å
232	G	91.6	Very high	85.5	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	152.5	172.9	0	0	0	0	0	110.8	T329 F330	G232-T329 WeakPolarHBondContact O-CA 3.22Å; G232-F330 PolarHBondContact N-O 2.83Å; G232-F330 PolarHBondContact O-N 3.37Å
233	F	91.3	Very high	84.7	Confident	15 Å²	15	43.8 Å²	43.8	7%	0.066	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.2	177.4	-176	-92.3	0	0	0	110.8	A194 L236 N261 M263 L324	A194-F233 HydrophobicContact CB-CD2 4.34Å; A194-F233 HydrophobicContact CB-CE2 4.16Å; A194-F233 HydrophobicContact CB-CZ 4.27Å; F233-L236 HydrophobicContact CD1-CD2 4.04Å; F233-L236 WeakPolarHBondContact O-CD1 3.12Å; F233-L236 WeakPolarHBondContact O-CG 3.45Å; F233-N261 PolarHBondContact O-ND2 3.05Å; F233-M263 HydrophobicContact CB-CE 3.73Å; F233-L324 HydrophobicContact CE1-CD1 4.5Å; F233-L324 HydrophobicContact CZ-CD1 4.18Å
234	A	90.6	Very high	83.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.3	171.7	0	0	0	0	0	109.6	L252 Q255 M256 S327 A328	A234-L252 HydrophobicContact CB-CD2 4.03Å; A234-Q255 HydrophobicContact CB-CB 4.02Å; A234-M256 HydrophobicContact CB-CG 4.17Å; A234-S327 CarbonylContact O-C 3.57Å; A234-S327 WeakPolarHBondContact O-CA 3.21Å; A234-S327 WeakPolarHBondContact O-CB 3.46Å; A234-A328 PolarHBondContact N-O 3.01Å; A234-A328 PolarHBondContact O-N 2.84Å
235	P	89.6	Confident	83.2	Confident	6 Å²	6	50.3 Å²	50.3	4%	0.039	24%	0.237	C	C	.	.			cis	-86.5	141.5	2.1	34.3	-34.4	0	0	0	112.6	T237 L247 L252 L324	P235-T237 HydrophobicContact CB-CG2 4.37Å; P235-L247 HydrophobicContact CB-CD2 3.44Å; P235-L247 VanDerWaalsContact CB-CD2 3.44Å; P235-L247 HydrophobicContact CG-CD1 4.1Å; P235-L247 HydrophobicContact CG-CD2 3.63Å; P235-L252 HydrophobicContact CB-CD2 3.91Å; P235-L252 HydrophobicContact CG-CD2 4.16Å; P235-L324 HydrophobicContact CG-CD2 3.81Å
236	L	84.2	Confident	82.4	Confident	8 Å²	8	50.1 Å²	50.1	4%	0.042	25%	0.251	C	S	.	.			trans	-102.1	99	166.6	-65	168.9	0	0	0	108.6	I173 T177 L191 F233 Q255 N261	I173-L236 HydrophobicContact CD1-CD1 4.28Å; I173-L236 HydrophobicContact CG1-CD1 4.49Å; I173-L236 HydrophobicContact CG2-CD1 3.77Å; I173-L236 HydrophobicContact CG2-CD2 4.32Å; T177-L236 HydrophobicContact CG2-CB 3.92Å; L191-L236 HydrophobicContact CD2-CD2 3.58Å; F233-L236 HydrophobicContact CD1-CD2 4.04Å; F233-L236 WeakPolarHBondContact O-CD1 3.12Å; F233-L236 WeakPolarHBondContact O-CG 3.45Å; L236-Q255 PolarHBondContact O-NE2 3.07Å; L236-N261 HydrophobicContact CD1-CB 4.34Å
237	T	77.6	Confident	81.9	Confident	25 Å²	25	52.6 Å²	52.6	15%	0.153	26%	0.264	C	S	.	.			trans	-125.8	133.4	179	55.4	0	0	0	0	110.8	P235	P235-T237 HydrophobicContact CB-CG2 4.37Å
238	S	77.2	Confident	81.7	Confident	26 Å²	26	55.2 Å²	55.2	18%	0.182	28%	0.28	C	S	.	.			trans	-61.1	147.5	170.2	-173.3	0	0	0	0	111.1	L178 G240 S241 Q242	L178-S238 VanDerWaalsContact O-CB 3.26Å; L178-S238 WeakPolarHBondContact O-CB 3.48Å; L178-S238 PolarHBondContact O-OG 3.13Å; S238-G240 PolarHBondContact O-N 3.07Å; S238-G240 VanDerWaalsContact O-N 3.09Å; S238-S241 PolarHBondContact O-N 3.12Å; S238-Q242 PolarHBondContact O-N 3.08Å; S238-Q242 VanDerWaalsContact O-N 3.12Å
239	R	71.2	Confident	81.4	Confident	219 Å²	219	55.3 Å²	55.3	83%	0.826	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-34.2	-179.6	-65.7	-176.9	179.8	-178.8	1.4	113
240	G	68.6	Low	81.2	Confident	53 Å²	53	56.4 Å²	56.4	55%	0.546	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-22.6	178.4	0	0	0	0	0	114.9	S238	S238-G240 PolarHBondContact O-N 3.07Å; S238-G240 VanDerWaalsContact O-N 3.09Å
241	S	74.4	Confident	81	Confident	57 Å²	57	59 Å²	59	40%	0.399	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-12.8	-178	-60.1	0	0	0	0	113.2	S238 Q243 Y244 R245	S238-S241 PolarHBondContact O-N 3.12Å; S241-Q243 PolarHBondContact O-N 2.86Å; S241-Y244 PolarHBondContact O-N 3.41Å; S241-Y244 VanDerWaalsContact O-N 3.14Å; S241-R245 PolarHBondContact O-N 3.06Å
242	Q	71.2	Confident	80.9	Confident	89 Å²	89	59.1 Å²	59.1	42%	0.416	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-31	-177	-167	176.6	1.8	0	0	113.3	S238	S238-Q242 PolarHBondContact O-N 3.08Å; S238-Q242 VanDerWaalsContact O-N 3.12Å
243	Q	67.6	Low	80.8	Confident	174 Å²	174	59 Å²	59	81%	0.813	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-21.2	179.5	-65.9	-177.4	-1.7	0	0	113.9	S241	S241-Q243 PolarHBondContact O-N 2.86Å
244	Y	70.9	Confident	80.7	Confident	200 Å²	200	64.1 Å²	64.1	78%	0.784	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-13	-172.8	-62.6	-76.6	0	0	0	113.5	S241	S241-Y244 PolarHBondContact O-N 3.41Å; S241-Y244 VanDerWaalsContact O-N 3.14Å
245	R	72.2	Confident	80.6	Confident	107 Å²	107	64.9 Å²	64.9	40%	0.404	33%	0.329	S	S	.	.			trans	-98.9	121.5	-176.5	-163.8	172.7	-175.5	168.4	4.2	110.8	S241 L247 E251	S241-R245 PolarHBondContact O-N 3.06Å; R245-L247 PolarHBondContact O-N 2.98Å; R245-E251 IonicContact CZ-OE2 3.57Å; R245-E251 IonicContact NE-OE2 3.54Å; R245-E251 PolarHBondContact NE-OE2 3.42Å; R245-E251 IonicContact NH2-OE2 2.72Å
246	A	71.3	Confident	80.5	Confident	69 Å²	69	64.6 Å²	64.6	57%	0.57	33%	0.328	S	S	*	.			trans	-79.8	106.1	173.2	0	0	0	0	0	109.3	T248	A246-T248 PolarHBondContact O-N 3.25Å
247	L	82.3	Confident	80.6	Confident	52 Å²	52	65.4 Å²	65.4	27%	0.272	33%	0.331	S	S	.	.			trans	-69.9	115.3	175.9	-69	166.1	0	0	0	109.7	P235 R245 L252 M326	P235-L247 HydrophobicContact CB-CD2 3.44Å; P235-L247 VanDerWaalsContact CB-CD2 3.44Å; P235-L247 HydrophobicContact CG-CD1 4.1Å; P235-L247 HydrophobicContact CG-CD2 3.63Å; R245-L247 PolarHBondContact O-N 2.98Å; L247-L252 HydrophobicContact CD2-CD2 4.37Å; L247-M326 HydrophobicContact CB-CE 4.09Å; L247-M326 WeakPolarHBondContact O-CE 3.33Å
248	T	89.4	Confident	81.1	Confident	55 Å²	55	66.5 Å²	66.5	34%	0.337	34%	0.336	S	S	.	.			trans	-120.1	160.4	173.3	64.4	0	0	0	0	109.9	A246 A250 E251 L252	A246-T248 PolarHBondContact O-N 3.25Å; T248-A250 VanDerWaalsContact C-N 3.29Å; T248-A250 PolarHBondContact O-N 3.05Å; T248-E251 PolarHBondContact O-N 3.27Å; T248-E251 WeakPolarHBondContact OG1-CG 3.49Å; T248-E251 PolarHBondContact OG1-N 3.49Å; T248-L252 WeakPolarHBondContact O-CG 3.32Å; T248-L252 PolarHBondContact O-N 3.29Å; T248-L252 VanDerWaalsContact O-N 3.08Å
249	V	88.8	Confident	81.5	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.024	34%	0.338	C	S	.	.	H	α-helix	trans	-59.2	-45	176.3	179.3	0	0	0	0	110	E251 L252 T253 F280 M284 E288 V289 Q292	V249-E251 VanDerWaalsContact C-N 3.33Å; V249-E251 PolarHBondContact O-N 2.76Å; V249-L252 PolarHBondContact O-N 3.35Å; V249-L252 VanDerWaalsContact O-N 3.13Å; V249-T253 PolarHBondContact O-N 3.17Å; V249-T253 PolarHBondContact O-OG1 2.82Å; V249-F280 HydrophobicContact CG1-CE1 4.26Å; V249-M284 HydrophobicContact CG2-CB 4.19Å; V249-M284 HydrophobicContact CG2-SD 4.28Å; V249-E288 HydrophobicContact CB-CG 4.22Å; V249-E288 HydrophobicContact CG2-CG 4.4Å; V249-V289 HydrophobicContact CG1-CB 4.41Å; V249-V289 HydrophobicContact CG1-CG2 3.86Å; V249-Q292 HydrophobicContact CG1-CB 4.44Å; V249-Q292 HydrophobicContact CG1-CG 4.19Å
250	A	89.9	Confident	82.2	Confident	24 Å²	24	63 Å²	63	20%	0.198	33%	0.329	C	S	.	.	H	α-helix	trans	-57.2	-42	177.5	0	0	0	0	0	113.3	T248 Q254 Q292	T248-A250 VanDerWaalsContact C-N 3.29Å; T248-A250 PolarHBondContact O-N 3.05Å; A250-Q254 WeakPolarHBondContact O-CB 3.37Å; A250-Q254 VanDerWaalsContact O-CG 3.28Å; A250-Q254 WeakPolarHBondContact O-CG 3.3Å; A250-Q254 PolarHBondContact O-N 2.85Å; A250-Q292 HydrophobicContact CB-CG 4.18Å
251	E	88.6	Confident	83	Confident	56 Å²	56	60.7 Å²	60.7	26%	0.262	30%	0.304	S	S	.	.	H	α-helix	trans	-66.1	-41.6	176	-78.9	-169.3	-155.3	0	0	112.3	R245 T248 V249 Q254 Q255	R245-E251 IonicContact CZ-OE2 3.57Å; R245-E251 IonicContact NE-OE2 3.54Å; R245-E251 PolarHBondContact NE-OE2 3.42Å; R245-E251 IonicContact NH2-OE2 2.72Å; T248-E251 PolarHBondContact O-N 3.27Å; T248-E251 WeakPolarHBondContact OG1-CG 3.49Å; T248-E251 PolarHBondContact OG1-N 3.49Å; V249-E251 VanDerWaalsContact C-N 3.33Å; V249-E251 PolarHBondContact O-N 2.76Å; E251-Q254 PolarHBondContact O-N 3.18Å; E251-Q255 WeakPolarHBondContact O-CB 3.32Å; E251-Q255 PolarHBondContact O-N 3.11Å
252	L	90.2	Very high	83.7	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-49.6	176.6	-69.6	174.6	0	0	0	110.5	A234 P235 L247 T248 V249 Q254 Q255 M256 F280 M326 A328	A234-L252 HydrophobicContact CB-CD2 4.03Å; P235-L252 HydrophobicContact CB-CD2 3.91Å; P235-L252 HydrophobicContact CG-CD2 4.16Å; L247-L252 HydrophobicContact CD2-CD2 4.37Å; T248-L252 WeakPolarHBondContact O-CG 3.32Å; T248-L252 PolarHBondContact O-N 3.29Å; T248-L252 VanDerWaalsContact O-N 3.08Å; V249-L252 PolarHBondContact O-N 3.35Å; V249-L252 VanDerWaalsContact O-N 3.13Å; L252-Q254 VanDerWaalsContact C-N 3.32Å; L252-Q254 PolarHBondContact O-N 2.86Å; L252-Q255 PolarHBondContact O-N 3.41Å; L252-Q255 VanDerWaalsContact O-N 3.11Å; L252-M256 VanDerWaalsContact O-CG 3.26Å; L252-M256 WeakPolarHBondContact O-CG 3.29Å; L252-M256 PolarHBondContact O-N 3.07Å; L252-F280 HydrophobicContact CB-CE1 4.36Å; L252-M326 HydrophobicContact CD1-CB 3.88Å; L252-M326 HydrophobicContact CD1-CE 4.1Å; L252-A328 HydrophobicContact CB-CB 4.18Å
253	T	90.1	Very high	84.5	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-41.6	179.8	-50.3	0	0	0	0	111	V249 M256 F257 F280 Q292 M293 I296	V249-T253 PolarHBondContact O-N 3.17Å; V249-T253 PolarHBondContact O-OG1 2.82Å; T253-M256 PolarHBondContact O-N 2.76Å; T253-F257 WeakPolarHBondContact O-CD2 3.32Å; T253-F280 WeakPolarHBondContact OG1-CZ 3.43Å; T253-Q292 HydrophobicContact CG2-CB 4.14Å; T253-M293 HydrophobicContact CG2-CG 4.3Å; T253-M293 HydrophobicContact CG2-SD 3.44Å; T253-M293 WeakPolarHBondContact CG2-SD 3.48Å; T253-I296 HydrophobicContact CG2-CD1 3.28Å; T253-I296 HydrophobicContact CG2-CG1 3.93Å; T253-I296 VanDerWaalsContact O-CD1 3.28Å; T253-I296 WeakPolarHBondContact O-CD1 3.32Å
254	Q	88.4	Confident	85.5	Confident	121 Å²	121	45.8 Å²	45.8	57%	0.565	23%	0.228	S	C	*	.	H	α-helix	trans	-65.5	-41.2	174.2	-74.2	174.8	14.7	0	0	113	A250 E251 L252 M256 F257 D258	A250-Q254 WeakPolarHBondContact O-CB 3.37Å; A250-Q254 VanDerWaalsContact O-CG 3.28Å; A250-Q254 WeakPolarHBondContact O-CG 3.3Å; A250-Q254 PolarHBondContact O-N 2.85Å; E251-Q254 PolarHBondContact O-N 3.18Å; L252-Q254 VanDerWaalsContact C-N 3.32Å; L252-Q254 PolarHBondContact O-N 2.86Å; Q254-M256 VanDerWaalsContact C-N 3.28Å; Q254-M256 PolarHBondContact O-N 2.81Å; Q254-F257 PolarHBondContact O-N 3.1Å; Q254-D258 PolarHBondContact O-N 3.32Å
255	Q	88.9	Confident	86.2	Confident	16 Å²	16	37.9 Å²	37.9	8%	0.075	20%	0.204	C	C	.	.	H	α-helix	trans	-66.4	-32.7	178.9	-129.2	-163.5	-41.9	0	0	112	A234 L236 E251 L252 F257 D258 N261	A234-Q255 HydrophobicContact CB-CB 4.02Å; L236-Q255 PolarHBondContact O-NE2 3.07Å; E251-Q255 WeakPolarHBondContact O-CB 3.32Å; E251-Q255 PolarHBondContact O-N 3.11Å; L252-Q255 PolarHBondContact O-N 3.41Å; L252-Q255 VanDerWaalsContact O-N 3.11Å; Q255-F257 VanDerWaalsContact C-N 3.28Å; Q255-F257 PolarHBondContact O-N 3.33Å; Q255-D258 PolarHBondContact O-N 2.87Å; Q255-N261 WeakPolarHBondContact CB-ND2 3.18Å; Q255-N261 WeakPolarHBondContact CG-ND2 3.29Å; Q255-N261 PolarHBondContact NE2-ND2 3.29Å; Q255-N261 PolarHBondContact NE2-OD1 3.07Å; Q255-N261 VanDerWaalsContact O-CB 3.25Å; Q255-N261 WeakPolarHBondContact O-CB 3.41Å; Q255-N261 PolarHBondContact O-ND2 3.02Å
256	M	88.1	Confident	86.8	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-34.8	179.8	-74.7	170.3	74.2	0	0	112.9	A234 L252 T253 Q254 M262 A278 F280 A328 F330	A234-M256 HydrophobicContact CB-CG 4.17Å; L252-M256 VanDerWaalsContact O-CG 3.26Å; L252-M256 WeakPolarHBondContact O-CG 3.29Å; L252-M256 PolarHBondContact O-N 3.07Å; T253-M256 PolarHBondContact O-N 2.76Å; Q254-M256 VanDerWaalsContact C-N 3.28Å; Q254-M256 PolarHBondContact O-N 2.81Å; M256-M262 WeakPolarHBondContact O-CE 3.31Å; M256-A278 HydrophobicContact CE-CB 3.5Å; M256-F280 HydrophobicContact SD-CE1 4.15Å; M256-F280 HydrophobicContact SD-CZ 3.89Å; M256-A328 HydrophobicContact CE-CB 4.23Å; M256-A328 HydrophobicContact CG-CB 4.02Å; M256-A328 HydrophobicContact SD-CB 3.3Å; M256-A328 WeakPolarHBondContact SD-CB 3.45Å; M256-F330 HydrophobicContact CB-CB 4.28Å; M256-F330 HydrophobicContact CE-CB 3.65Å; M256-F330 HydrophobicContact CE-CD2 3.8Å; M256-F330 HydrophobicContact CE-CG 4.2Å; M256-F330 HydrophobicContact CG-CB 4.36Å
257	F	86.6	Confident	87.5	Confident	24 Å²	24	32.1 Å²	32.1	11%	0.105	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	6.2	179.1	-70	-87.9	0	0	0	113.3	T253 Q254 Q255 Y273 M293 I296 F304 F330	T253-F257 WeakPolarHBondContact O-CD2 3.32Å; Q254-F257 PolarHBondContact O-N 3.1Å; Q255-F257 VanDerWaalsContact C-N 3.28Å; Q255-F257 PolarHBondContact O-N 3.33Å; F257-Y273 HydrophobicContact CD1-CE2 4.01Å; F257-Y273 HydrophobicContact CE1-CE2 4.2Å; F257-M293 HydrophobicContact CE2-CE 4.05Å; F257-M293 HydrophobicContact CE2-SD 4.39Å; F257-M293 HydrophobicContact CZ-CE 4.13Å; F257-I296 HydrophobicContact CD1-CG2 4.42Å; F257-I296 HydrophobicContact CD2-CD1 3.72Å; F257-I296 HydrophobicContact CD2-CG2 3.71Å; F257-I296 HydrophobicContact CE1-CG2 4.45Å; F257-I296 HydrophobicContact CE2-CB 4.49Å; F257-I296 HydrophobicContact CE2-CD1 4.16Å; F257-I296 HydrophobicContact CE2-CG2 3.74Å; F257-I296 HydrophobicContact CG-CG2 4.06Å; F257-I296 HydrophobicContact CZ-CG2 4.12Å; F257-F304 HydrophobicContact CE1-CE1 4.38Å; F257-F304 AromaticContact CE1-CZ 3.72Å; F257-F304 HydrophobicContact CE1-CZ 3.72Å; F257-F304 HydrophobicContact CZ-CZ 4.12Å; F257-F330 HydrophobicContact CD1-CE2 4.47Å; F257-F330 HydrophobicContact CD1-CZ 4.45Å; F257-F330 AromaticContact CE1-CE2 3.83Å; F257-F330 HydrophobicContact CE1-CE2 3.83Å; F257-F330 HydrophobicContact CE1-CZ 4.03Å; F257-F330 AromaticContact CZ-CE2 3.87Å; F257-F330 HydrophobicContact CZ-CE2 3.87Å
258	D	88.1	Confident	87.6	Confident	48 Å²	48	29.9 Å²	29.9	26%	0.257	16%	0.161	S	C	.	.			trans	-79.1	130.9	173.3	-166.9	7.6	0	0	0	110	Q254 Q255 K260 N261	Q254-D258 PolarHBondContact O-N 3.32Å; Q255-D258 PolarHBondContact O-N 2.87Å; D258-K260 PolarHBondContact O-N 3.39Å; D258-K260 VanDerWaalsContact O-N 3.11Å; D258-N261 WeakPolarHBondContact O-CB 3.48Å; D258-N261 PolarHBondContact O-N 2.97Å
259	A	85.7	Confident	87.5	Confident	29 Å²	29	34.2 Å²	34.2	24%	0.24	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-57.6	-29.9	179.4	0	0	0	0	0	112	N261 M262	A259-N261 PolarHBondContact O-N 3.42Å; A259-M262 PolarHBondContact O-N 3.25Å
260	K	85.1	Confident	87.4	Confident	144 Å²	144	39.4 Å²	39.4	63%	0.626	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-68.7	-15.5	179.6	-62.3	176.4	-173.4	167.6	0	114.2	I173 D258	I173-K260 VanDerWaalsContact CG1-O 3.23Å; I173-K260 WeakPolarHBondContact CG1-O 3.39Å; D258-K260 PolarHBondContact O-N 3.39Å; D258-K260 VanDerWaalsContact O-N 3.11Å
261	N	86	Confident	87.3	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.021	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-101.7	-4.7	-176.8	-91.2	29.1	0	0	0	112.9	F233 L236 Q255 D258 A259	F233-N261 PolarHBondContact O-ND2 3.05Å; L236-N261 HydrophobicContact CD1-CB 4.34Å; Q255-N261 WeakPolarHBondContact CB-ND2 3.18Å; Q255-N261 WeakPolarHBondContact CG-ND2 3.29Å; Q255-N261 PolarHBondContact NE2-ND2 3.29Å; Q255-N261 PolarHBondContact NE2-OD1 3.07Å; Q255-N261 VanDerWaalsContact O-CB 3.25Å; Q255-N261 WeakPolarHBondContact O-CB 3.41Å; Q255-N261 PolarHBondContact O-ND2 3.02Å; D258-N261 WeakPolarHBondContact O-CB 3.48Å; D258-N261 PolarHBondContact O-N 2.97Å; A259-N261 PolarHBondContact O-N 3.42Å
262	M	88.9	Confident	87.4	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.015	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-73.6	137	176.6	-64.8	-61	156.7	0	0	110.1	I173 M230 M256 A259 A264 P268 F330	I173-M262 WeakPolarHBondContact CD1-O 3.38Å; M230-M262 HydrophobicContact CE-CB 4.39Å; M230-M262 HydrophobicContact CE-CG 4.39Å; M256-M262 WeakPolarHBondContact O-CE 3.31Å; A259-M262 PolarHBondContact O-N 3.25Å; M262-A264 PolarHBondContact O-N 3.05Å; M262-P268 HydrophobicContact CE-CG 4.16Å; M262-P268 HydrophobicContact CG-CG 3.74Å; M262-P268 HydrophobicContact SD-CG 4.42Å; M262-F330 HydrophobicContact CE-CD1 3.66Å; M262-F330 HydrophobicContact CE-CE1 3.71Å; M262-F330 HydrophobicContact SD-CD1 3.94Å; M262-F330 HydrophobicContact SD-CE1 4.15Å
263	M	88.4	Confident	87.4	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.188	C	C	.	.	S	Bend	trans	-84.2	-1.1	176.4	-58.6	-66.7	179.3	0	0	112.1	D166 L170 I173 L191 P231 F233	D166-M263 PolarHBondContact N-O 2.86Å; L170-M263 HydrophobicContact CD2-SD 3.36Å; L170-M263 WeakPolarHBondContact CD2-SD 3.49Å; I173-M263 HydrophobicContact CD1-CE 4.35Å; I173-M263 HydrophobicContact CD1-SD 3.73Å; L191-M263 HydrophobicContact CB-CE 4.26Å; P231-M263 HydrophobicContact CG-CB 4.08Å; P231-M263 VanDerWaalsContact O-CB 3.31Å; P231-M263 WeakPolarHBondContact O-CB 3.4Å; P231-M263 WeakPolarHBondContact O-CG 3.23Å; P231-M263 PolarHBondContact O-N 3.29Å; F233-M263 HydrophobicContact CB-CE 3.73Å
264	A	87.5	Confident	87.4	Confident	2 Å²	2	39.1 Å²	39.1	2%	0.017	19%	0.188	C	C	.	.	S	Bend	trans	-111.4	136.5	170.1	0	0	0	0	0	109.1	M230 M262 C266 I337	M230-A264 HydrophobicContact CE-CB 3.96Å; M230-A264 HydrophobicContact CG-CB 4.13Å; M262-A264 PolarHBondContact O-N 3.05Å; A264-C266 PolarHBondContact O-N 3.23Å; A264-I337 HydrophobicContact CB-CD1 4.3Å
265	A	86.2	Confident	87.5	Confident	34 Å²	34	33.7 Å²	33.7	28%	0.281	16%	0.162	S	C	.	.	S	Bend	trans	-81.4	65.7	-177.2	0	0	0	0	0	111.4	D166 E168 A169	D166-A265 HydrophobicContact CB-CB 4.5Å; D166-A265 WeakPolarHBondContact OD2-CB 3.1Å; D166-A265 PolarHBondContact OD2-N 2.88Å; E168-A265 HydrophobicContact CB-CB 4.14Å; E168-A265 HydrophobicContact CG-CB 4.21Å; A169-A265 HydrophobicContact CB-CB 4.06Å
266	C	84.1	Confident	87.6	Confident	8 Å²	8	32.9 Å²	32.9	5%	0.054	16%	0.159	C	C	.	.	S	Bend	trans	-131.3	147.3	172.8	-44.8	0	0	0	0	108.4	M230 A264 P268 A336 E339	M230-C266 HydrophobicContact CE-CB 3.66Å; M230-C266 HydrophobicContact SD-CB 4.49Å; A264-C266 PolarHBondContact O-N 3.23Å; C266-P268 VanDerWaalsContact O-CD 3.29Å; C266-P268 WeakPolarHBondContact O-CD 3.49Å; C266-A336 HydrophobicContact CB-CB 4.36Å; C266-A336 WeakPolarHBondContact CB-O 3.27Å; C266-E339 WeakPolarHBondContact CA-OE2 3.44Å; C266-E339 HydrophobicContact CB-CB 4.41Å
267	D	86.1	Confident	87.7	Confident	48 Å²	48	32.9 Å²	32.9	26%	0.257	16%	0.159	S	C	.	.			trans	-85.4	112.6	170.7	-166.4	-22.7	0	0	0	109.1	R269 H270 A336 E339	D267-R269 PolarHBondContact O-N 3.47Å; D267-R269 WeakPolarHBondContact OD1-CB 3.42Å; D267-R269 WeakPolarHBondContact OD1-CG 3.26Å; D267-R269 PolarHBondContact OD1-N 2.89Å; D267-H270 PolarHBondContact O-N 2.81Å; D267-A336 WeakPolarHBondContact O-CB 3.01Å; D267-E339 PolarHBondContact N-OE2 3.23Å
268	P	85.4	Confident	87.9	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.032	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-62.4	-13.9	-178.6	-20.1	33.1	0	0	0	113.9	M230 M262 C266 H270 Y273 N334	M230-P268 HydrophobicContact CE-CG 4.39Å; M262-P268 HydrophobicContact CE-CG 4.16Å; M262-P268 HydrophobicContact CG-CG 3.74Å; M262-P268 HydrophobicContact SD-CG 4.42Å; C266-P268 VanDerWaalsContact O-CD 3.29Å; C266-P268 WeakPolarHBondContact O-CD 3.49Å; P268-H270 VanDerWaalsContact C-N 3.35Å; P268-Y273 HydrophobicContact CB-CE1 4.47Å; P268-Y273 HydrophobicContact CB-CE2 4.22Å; P268-Y273 WeakPolarHBondContact CB-OH 3.4Å; P268-N334 PolarHBondContact O-ND2 3.26Å
269	R	86.1	Confident	88	Confident	146 Å²	146	29.7 Å²	29.7	55%	0.551	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-77.7	-18.5	177.9	-60.7	172.1	-179.1	-176.5	1.8	113.5	D267 Y303	D267-R269 PolarHBondContact O-N 3.47Å; D267-R269 WeakPolarHBondContact OD1-CB 3.42Å; D267-R269 WeakPolarHBondContact OD1-CG 3.26Å; D267-R269 PolarHBondContact OD1-N 2.89Å; R269-Y303 HydrophobicContact CB-CE1 4.22Å
270	H	87.3	Confident	88.2	Confident	113 Å²	113	28.3 Å²	28.3	52%	0.523	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-80.5	-8.4	176	-66.7	164.4	0	0	0	112.9	D267 P268 E339 Q389	D267-H270 PolarHBondContact O-N 2.81Å; P268-H270 VanDerWaalsContact C-N 3.35Å; H270-E339 IonicContact CE1-OE1 3.86Å; H270-E339 IonicContact CG-OE1 2.7Å; H270-E339 IonicContact ND1-OE1 3.92Å; H270-E339 PolarHBondContact ND1-OE1 3.49Å; H270-Q389 PolarHBondContact O-NE2 3.25Å
271	G	87.2	Confident	88.4	Confident	4 Å²	4	21.6 Å²	21.6	4%	0.041	10%	0.102	C	C	.	.	S	Bend	trans	-129.6	-170.4	178.5	0	0	0	0	0	112.6	T335	G271-T335 VanDerWaalsContact CA-OG1 3.23Å; G271-T335 WeakPolarHBondContact CA-OG1 3.26Å
272	R	90.1	Very high	88.5	Confident	62 Å²	62	21.4 Å²	21.4	23%	0.234	10%	0.101	C	C	.	.			trans	-119	142.1	173.9	-67.4	-178.9	175.1	167.6	-1.5	109.9	L274 Y303 N334 T335 Q389 A391	R272-L274 PolarHBondContact O-N 3.38Å; R272-Y303 CarbonylContact C-O 3.59Å; R272-Y303 VanDerWaalsContact CA-O 3.28Å; R272-Y303 WeakPolarHBondContact CA-O 3.45Å; R272-N334 PolarHBondContact N-OD1 3.38Å; R272-N334 WeakPolarHBondContact O-CA 3.5Å; R272-N334 PolarHBondContact O-OD1 3.41Å; R272-T335 PolarHBondContact N-OG1 3.48Å; R272-T335 PolarHBondContact O-N 2.98Å; R272-Q389 PolarHBondContact NH1-O 3.08Å; R272-A391 PolarHBondContact NH1-O 3.04Å; R272-A391 VanDerWaalsContact NH1-O 3.12Å
273	Y	90.4	Very high	88.3	Confident	9 Å²	9	31.9 Å²	31.9	4%	0.035	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	117.3	170.3	-70.8	-75.2	0	0	0	109.5	F257 P268 Y303 F304 A305 F330 N333 N334	F257-Y273 HydrophobicContact CD1-CE2 4.01Å; F257-Y273 HydrophobicContact CE1-CE2 4.2Å; P268-Y273 HydrophobicContact CB-CE1 4.47Å; P268-Y273 HydrophobicContact CB-CE2 4.22Å; P268-Y273 WeakPolarHBondContact CB-OH 3.4Å; Y273-Y303 PolarHBondContact N-O 3.29Å; Y273-F304 HydrophobicContact CD2-CD1 4.42Å; Y273-F304 HydrophobicContact CD2-CE1 4.09Å; Y273-F304 HydrophobicContact CD2-CZ 4.34Å; Y273-F304 HydrophobicContact CG-CD1 4.4Å; Y273-F304 HydrophobicContact CG-CE1 4.15Å; Y273-A305 PolarHBondContact O-N 3.47Å; Y273-F330 HydrophobicContact CD1-CZ 4.1Å; Y273-F330 AromaticContact CE1-CE1 3.73Å; Y273-F330 HydrophobicContact CE1-CE1 3.73Å; Y273-F330 AromaticContact CE1-CZ 3.47Å; Y273-F330 HydrophobicContact CE1-CZ 3.47Å; Y273-F330 VanDerWaalsContact CE1-CZ 3.47Å; Y273-F330 AromaticContact CZ-CZ 3.92Å; Y273-N333 CarbonylContact C-O 3.53Å; Y273-N333 WeakPolarHBondContact CA-O 3.45Å; Y273-N334 HydrophobicContact CD1-CB 3.66Å; Y273-N334 WeakPolarHBondContact CD1-ND2 3.39Å; Y273-N334 HydrophobicContact CE1-CB 3.8Å; Y273-N334 VanDerWaalsContact CE1-ND2 3.31Å; Y273-N334 WeakPolarHBondContact CE1-ND2 3.44Å; Y273-N334 HydrophobicContact CG-CB 4.4Å
274	L	90.6	Very high	88.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-52.8	169.6	-57.8	173.2	0	0	0	109	P222 L226 R272 A305 W307 L308 N311 N333 T335	P222-L274 HydrophobicContact CG-CB 4.31Å; P222-L274 HydrophobicContact CG-CD1 4.3Å; L226-L274 HydrophobicContact CD1-CD1 4.15Å; R272-L274 PolarHBondContact O-N 3.38Å; L274-A305 HydrophobicContact CD2-CB 4.42Å; L274-W307 HydrophobicContact CD2-CZ2 3.86Å; L274-L308 HydrophobicContact CB-CD1 4.45Å; L274-N311 VanDerWaalsContact O-CB 3.24Å; L274-N311 WeakPolarHBondContact O-CB 3.37Å; L274-N333 HydrophobicContact CB-CB 4.48Å; L274-N333 PolarHBondContact N-O 2.95Å; L274-T335 HydrophobicContact CD1-CG2 4.46Å; L274-T335 HydrophobicContact CD2-CG2 4.22Å; L274-T335 HydrophobicContact CG-CG2 4.26Å
275	T	90.9	Very high	88.2	Confident	6 Å²	6	36.1 Å²	36.1	4%	0.037	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.1	178.2	64	0	0	0	0	110	M220 N311 N333	M220-T275 WeakPolarHBondContact CA-OG1 3.32Å; M220-T275 WeakPolarHBondContact CE-OG1 3.33Å; M220-T275 PolarHBondContact O-OG1 2.81Å; T275-N311 WeakPolarHBondContact CA-O 3.45Å; T275-N333 PolarHBondContact N-O 3.48Å; T275-N333 PolarHBondContact O-N 3.36Å; T275-N333 WeakPolarHBondContact OG1-CB 3.46Å
276	A	90.7	Very high	88.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	135.3	176.7	0	0	0	0	0	110.7	N311 V312 K313 F330 I331	A276-N311 PolarHBondContact N-O 3.06Å; A276-V312 HydrophobicContact CB-CG1 4.49Å; A276-V312 HydrophobicContact CB-CG2 4.28Å; A276-V312 CarbonylContact O-C 3.49Å; A276-V312 VanDerWaalsContact O-CA 3.31Å; A276-V312 WeakPolarHBondContact O-CA 3.41Å; A276-K313 PolarHBondContact O-N 3.49Å; A276-F330 HydrophobicContact CB-CE2 3.82Å; A276-F330 HydrophobicContact CB-CZ 4.11Å; A276-I331 CarbonylContact C-O 3.46Å; A276-I331 WeakPolarHBondContact CA-O 3.49Å
277	A	89.7	Confident	88.5	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.5	169.2	0	0	0	0	0	110.7	M220 K313 I331	M220-A277 HydrophobicContact CE-CB 4.27Å; M220-A277 HydrophobicContact CG-CB 4.5Å; M220-A277 HydrophobicContact SD-CB 3.5Å; M220-A277 WeakPolarHBondContact SD-CB 3.45Å; A277-K313 CarbonylContact C-O 3.59Å; A277-K313 WeakPolarHBondContact CA-O 3.46Å; A277-I331 HydrophobicContact CB-CB 4.29Å; A277-I331 PolarHBondContact N-O 3.38Å; A277-I331 PolarHBondContact O-N 3.08Å
278	A	90.7	Very high	88.7	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	110.7	178.7	0	0	0	0	0	109.2	M256 F280 M293 K313 T314 A315	M256-A278 HydrophobicContact CE-CB 3.5Å; A278-F280 HydrophobicContact CB-CD2 4.28Å; A278-F280 HydrophobicContact CB-CE2 3.7Å; A278-M293 HydrophobicContact CB-CE 3.8Å; A278-M293 HydrophobicContact CB-SD 4.12Å; A278-K313 PolarHBondContact N-O 3.08Å; A278-T314 HydrophobicContact CB-CG2 4.44Å; A278-T314 CarbonylContact O-C 3.52Å; A278-T314 WeakPolarHBondContact O-CA 3.49Å; A278-A315 PolarHBondContact O-N 3.09Å
279	I	90.4	Very high	88.9	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	103.9	179.2	-55	169.3	0	0	0	108.3	A315 A328 T329 I331	I279-A315 CarbonylContact C-O 3.57Å; I279-A315 HydrophobicContact CG1-CB 4.4Å; I279-A328 CarbonylContact O-C 3.5Å; I279-A328 VanDerWaalsContact O-CA 3.31Å; I279-A328 WeakPolarHBondContact O-CA 3.24Å; I279-T329 PolarHBondContact N-O 2.96Å; I279-T329 PolarHBondContact O-N 3.04Å; I279-I331 HydrophobicContact CD1-CD1 4.05Å
280	F	91.2	Very high	89	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.6	175.7	-68.8	-92.7	0	0	0	110.8	V249 L252 T253 M256 A278 M284 V289 M293 A315 V316 C317 S327 A328	V249-F280 HydrophobicContact CG1-CE1 4.26Å; L252-F280 HydrophobicContact CB-CE1 4.36Å; T253-F280 WeakPolarHBondContact OG1-CZ 3.43Å; M256-F280 HydrophobicContact SD-CE1 4.15Å; M256-F280 HydrophobicContact SD-CZ 3.89Å; A278-F280 HydrophobicContact CB-CD2 4.28Å; A278-F280 HydrophobicContact CB-CE2 3.7Å; F280-M284 HydrophobicContact CB-CE 3.45Å; F280-M284 VanDerWaalsContact CB-CE 3.45Å; F280-M284 HydrophobicContact CB-SD 3.54Å; F280-M284 VanDerWaalsContact CB-SD 3.54Å; F280-M284 HydrophobicContact CD1-SD 3.96Å; F280-M284 HydrophobicContact CG-CE 4.47Å; F280-M284 HydrophobicContact CG-SD 4.03Å; F280-V289 HydrophobicContact CD2-CG1 3.44Å; F280-V289 VanDerWaalsContact CD2-CG1 3.44Å; F280-V289 HydrophobicContact CE2-CG1 3.38Å; F280-V289 HydrophobicContact CG-CG1 4.07Å; F280-V289 HydrophobicContact CG-CG2 4.45Å; F280-V289 HydrophobicContact CZ-CG1 3.97Å; F280-M293 HydrophobicContact CE2-CG 4.22Å; F280-M293 HydrophobicContact CE2-SD 4.06Å; F280-M293 HydrophobicContact CZ-CG 4.42Å; F280-M293 HydrophobicContact CZ-SD 4.02Å; F280-A315 PolarHBondContact N-O 3.31Å; F280-V316 HydrophobicContact CB-CG2 4.38Å; F280-V316 CarbonylContact O-C 3.42Å; F280-V316 WeakPolarHBondContact O-CA 3.39Å; F280-C317 PolarHBondContact O-N 3.15Å; F280-S327 WeakPolarHBondContact CA-O 3.2Å; F280-A328 HydrophobicContact CD1-CB 3.65Å; F280-A328 HydrophobicContact CE1-CB 3.74Å; F280-A328 HydrophobicContact CG-CB 4.29Å; F280-A328 HydrophobicContact CZ-CB 4.45Å
281	R	89.2	Confident	89.2	Confident	3 Å²	3	43.9 Å²	43.9	1%	0.011	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.1	178.4	-57.1	-177.1	65.2	177.9	-0.8	111.1	E27 S197 T201 M284 C317 I319 M326 S327	E27-R281 VanDerWaalsContact CD-NH2 3.28Å; E27-R281 IonicContact OE1-CZ 2.84Å; E27-R281 IonicContact OE1-NH1 2.8Å; E27-R281 PolarHBondContact OE1-NH1 3.09Å; E27-R281 IonicContact OE1-NH2 3Å; E27-R281 PolarHBondContact OE1-NH2 3.16Å; E27-R281 IonicContact OE2-CZ 2.7Å; E27-R281 IonicContact OE2-NH1 3.79Å; E27-R281 PolarHBondContact OE2-NH1 3.44Å; E27-R281 IonicContact OE2-NH2 3.32Å; E27-R281 PolarHBondContact OE2-NH2 3.17Å; S197-R281 PolarHBondContact OG-NH1 3.35Å; S197-R281 VanDerWaalsContact OG-NH1 3.08Å; T201-R281 HydrophobicContact CG2-CG 3.97Å; T201-R281 WeakPolarHBondContact OG1-CD 3.4Å; T201-R281 PolarHBondContact OG1-NE 3.01Å; T201-R281 PolarHBondContact OG1-NH1 3.28Å; R281-M284 WeakPolarHBondContact O-CE 3.26Å; R281-C317 CarbonylContact C-O 3.57Å; R281-C317 VanDerWaalsContact CA-O 3.31Å; R281-C317 WeakPolarHBondContact CA-O 3.29Å; R281-C317 HydrophobicContact CG-CB 4.44Å; R281-I319 PolarHBondContact NE-O 3.05Å; R281-I319 VanDerWaalsContact NE-O 3.17Å; R281-I319 PolarHBondContact NH2-O 2.76Å; R281-M326 CarbonylContact O-C 3.49Å; R281-M326 WeakPolarHBondContact O-CA 3.46Å; R281-S327 WeakPolarHBondContact CB-OG 3.39Å; R281-S327 PolarHBondContact N-O 3.42Å; R281-S327 PolarHBondContact O-N 3.18Å
282	G	88	Confident	89.4	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	113.6	171.1	-178.3	0	0	0	0	0	112.6	M284 C317	G282-M284 VanDerWaalsContact O-CE 3.23Å; G282-M284 WeakPolarHBondContact O-CE 3.26Å; G282-M284 PolarHBondContact O-N 2.98Å; G282-M284 VanDerWaalsContact O-N 3.12Å; G282-C317 PolarHBondContact N-O 3.05Å
283	R	84.8	Confident	89.4	Confident	223 Å²	223	43.2 Å²	43.2	84%	0.842	20%	0.195	S	C	*	.	S	Bend	trans	-76.6	102.4	-178.9	-65.4	-176.3	-177.1	-177	0.3	110.2
284	M	86.3	Confident	89.3	Confident	17 Å²	17	49 Å²	49	8%	0.084	22%	0.221	C	C	.	.			trans	-141.4	148.5	177.3	70.1	-162.7	100.2	0	0	111.3	V249 F280 R281 G282 M286 V289 V316	V249-M284 HydrophobicContact CG2-CB 4.19Å; V249-M284 HydrophobicContact CG2-SD 4.28Å; F280-M284 HydrophobicContact CB-CE 3.45Å; F280-M284 VanDerWaalsContact CB-CE 3.45Å; F280-M284 HydrophobicContact CB-SD 3.54Å; F280-M284 VanDerWaalsContact CB-SD 3.54Å; F280-M284 HydrophobicContact CD1-SD 3.96Å; F280-M284 HydrophobicContact CG-CE 4.47Å; F280-M284 HydrophobicContact CG-SD 4.03Å; R281-M284 WeakPolarHBondContact O-CE 3.26Å; G282-M284 VanDerWaalsContact O-CE 3.23Å; G282-M284 WeakPolarHBondContact O-CE 3.26Å; G282-M284 PolarHBondContact O-N 2.98Å; G282-M284 VanDerWaalsContact O-N 3.12Å; M284-M286 PolarHBondContact O-N 3.47Å; M284-V289 HydrophobicContact CG-CG2 3.75Å; M284-V289 HydrophobicContact SD-CG2 3.55Å; M284-V289 VanDerWaalsContact SD-CG2 3.55Å; M284-V316 HydrophobicContact CE-CG1 4.26Å; M284-V316 HydrophobicContact CG-CG1 4Å
285	P	87.4	Confident	89.3	Confident	76 Å²	76	52.1 Å²	52.1	49%	0.494	24%	0.238	S	C	.	.			trans	-72.1	123.5	175.7	27.2	-29.7	0	0	0	110.4	R287 E288 V289	P285-R287 PolarHBondContact O-N 2.97Å; P285-R287 VanDerWaalsContact O-N 3.15Å; P285-E288 HydrophobicContact CG-CB 3.86Å; P285-E288 WeakPolarHBondContact CG-OE2 3.21Å; P285-E288 PolarHBondContact O-N 3.48Å; P285-V289 PolarHBondContact O-N 3.1Å
286	M	85.9	Confident	89.1	Confident	86 Å²	86	52.7 Å²	52.7	42%	0.424	24%	0.24	S	C	.	.	H	α-helix	trans	-52.8	-38.3	178.9	-71.6	176.6	173	0	0	112.7	M284 E288 V289 D290 V316	M284-M286 PolarHBondContact O-N 3.47Å; M286-E288 VanDerWaalsContact C-N 3.3Å; M286-E288 PolarHBondContact O-N 3.27Å; M286-V289 WeakPolarHBondContact O-CB 3.14Å; M286-V289 PolarHBondContact O-N 3.06Å; M286-V289 VanDerWaalsContact O-N 3.11Å; M286-D290 PolarHBondContact O-N 2.97Å; M286-V316 HydrophobicContact CE-CB 4.25Å; M286-V316 HydrophobicContact CG-CB 4.36Å; M286-V316 HydrophobicContact CG-CG2 4.16Å
287	R	89.6	Confident	88.9	Confident	187 Å²	187	55.4 Å²	55.4	71%	0.706	25%	0.253	S	S	*	.	H	α-helix	trans	-56	-41.7	177.4	-178.9	179.1	171.9	168.3	2.3	113.3	P285 V289 E291	P285-R287 PolarHBondContact O-N 2.97Å; P285-R287 VanDerWaalsContact O-N 3.15Å; R287-V289 VanDerWaalsContact C-N 3.35Å; R287-E291 IonicContact CZ-OE1 2.91Å; R287-E291 IonicContact NE-OE1 3.17Å; R287-E291 PolarHBondContact NE-OE1 3.06Å; R287-E291 IonicContact NH2-OE1 3.86Å; R287-E291 PolarHBondContact NH2-OE1 2.87Å; R287-E291 WeakPolarHBondContact O-CB 3.43Å; R287-E291 VanDerWaalsContact O-CG 3.31Å; R287-E291 WeakPolarHBondContact O-CG 3.38Å; R287-E291 PolarHBondContact O-N 3.35Å
288	E	90.4	Very high	88.8	Confident	74 Å²	74	60.6 Å²	60.6	35%	0.346	28%	0.281	S	S	.	.	H	α-helix	trans	-69.4	-38.3	179.9	-173.3	-178	169	0	0	110.7	V249 P285 M286 Q292	V249-E288 HydrophobicContact CB-CG 4.22Å; V249-E288 HydrophobicContact CG2-CG 4.4Å; P285-E288 HydrophobicContact CG-CB 3.86Å; P285-E288 WeakPolarHBondContact CG-OE2 3.21Å; P285-E288 PolarHBondContact O-N 3.48Å; M286-E288 VanDerWaalsContact C-N 3.3Å; M286-E288 PolarHBondContact O-N 3.27Å; E288-Q292 WeakPolarHBondContact O-CB 3.49Å; E288-Q292 VanDerWaalsContact O-CG 3.28Å; E288-Q292 WeakPolarHBondContact O-CG 3.36Å; E288-Q292 PolarHBondContact O-N 3.48Å
289	V	89.5	Confident	88.7	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-49.7	175.7	177.3	0	0	0	0	110.6	V249 F280 M284 P285 M286 R287 Q292 M293 T314 V316	V249-V289 HydrophobicContact CG1-CB 4.41Å; V249-V289 HydrophobicContact CG1-CG2 3.86Å; F280-V289 HydrophobicContact CD2-CG1 3.44Å; F280-V289 VanDerWaalsContact CD2-CG1 3.44Å; F280-V289 HydrophobicContact CE2-CG1 3.38Å; F280-V289 HydrophobicContact CG-CG1 4.07Å; F280-V289 HydrophobicContact CG-CG2 4.45Å; F280-V289 HydrophobicContact CZ-CG1 3.97Å; M284-V289 HydrophobicContact CG-CG2 3.75Å; M284-V289 HydrophobicContact SD-CG2 3.55Å; M284-V289 VanDerWaalsContact SD-CG2 3.55Å; P285-V289 PolarHBondContact O-N 3.1Å; M286-V289 WeakPolarHBondContact O-CB 3.14Å; M286-V289 PolarHBondContact O-N 3.06Å; M286-V289 VanDerWaalsContact O-N 3.11Å; R287-V289 VanDerWaalsContact C-N 3.35Å; V289-Q292 PolarHBondContact O-N 2.84Å; V289-M293 HydrophobicContact CG1-CG 4.41Å; V289-M293 WeakPolarHBondContact O-CB 3.44Å; V289-M293 VanDerWaalsContact O-CG 3.29Å; V289-M293 WeakPolarHBondContact O-CG 3.3Å; V289-M293 PolarHBondContact O-N 3.44Å; V289-T314 HydrophobicContact CG1-CG2 4.42Å; V289-V316 HydrophobicContact CG1-CG2 4.4Å; V289-V316 HydrophobicContact CG2-CG2 4.3Å
290	D	89.3	Confident	88.4	Confident	82 Å²	82	70.2 Å²	70.2	44%	0.439	32%	0.324	S	S	.	.	H	α-helix	trans	-65.2	-41.9	-178.7	-64.6	-27.4	0	0	0	111.6	M286 Q292 M293 F294 T314	M286-D290 PolarHBondContact O-N 2.97Å; D290-Q292 PolarHBondContact O-N 2.83Å; D290-M293 PolarHBondContact O-N 3.02Å; D290-F294 WeakPolarHBondContact O-CB 3.23Å; D290-F294 PolarHBondContact O-N 3.02Å; D290-T314 PolarHBondContact OD1-OG1 3.26Å
291	E	91.4	Very high	88	Confident	88 Å²	88	73.4 Å²	73.4	41%	0.411	35%	0.347	S	S	.	.	H	α-helix	trans	-61.1	-42.3	174.6	-76	175.9	-170.7	0	0	111.7	R287 N295	R287-E291 IonicContact CZ-OE1 2.91Å; R287-E291 IonicContact NE-OE1 3.17Å; R287-E291 PolarHBondContact NE-OE1 3.06Å; R287-E291 IonicContact NH2-OE1 3.86Å; R287-E291 PolarHBondContact NH2-OE1 2.87Å; R287-E291 WeakPolarHBondContact O-CB 3.43Å; R287-E291 VanDerWaalsContact O-CG 3.31Å; R287-E291 WeakPolarHBondContact O-CG 3.38Å; R287-E291 PolarHBondContact O-N 3.35Å; E291-N295 WeakPolarHBondContact O-CB 3.35Å; E291-N295 PolarHBondContact O-N 3.46Å; E291-N295 PolarHBondContact O-ND2 3.37Å
292	Q	91.4	Very high	87.8	Confident	42 Å²	42	76.9 Å²	76.9	20%	0.196	37%	0.371	C	S	.	.	H	α-helix	trans	-68.9	-38.8	177.9	-69.6	-53.6	-50.6	0	0	112.9	V249 A250 T253 E288 V289 D290 N295 I296	V249-Q292 HydrophobicContact CG1-CB 4.44Å; V249-Q292 HydrophobicContact CG1-CG 4.19Å; A250-Q292 HydrophobicContact CB-CG 4.18Å; T253-Q292 HydrophobicContact CG2-CB 4.14Å; E288-Q292 WeakPolarHBondContact O-CB 3.49Å; E288-Q292 VanDerWaalsContact O-CG 3.28Å; E288-Q292 WeakPolarHBondContact O-CG 3.36Å; E288-Q292 PolarHBondContact O-N 3.48Å; V289-Q292 PolarHBondContact O-N 2.84Å; D290-Q292 PolarHBondContact O-N 2.83Å; Q292-N295 PolarHBondContact O-N 2.98Å; Q292-I296 PolarHBondContact O-N 3.06Å; Q292-I296 VanDerWaalsContact O-N 3.11Å
293	M	89.5	Confident	87.7	Confident	10 Å²	10	80.9 Å²	80.9	5%	0.049	39%	0.387	C	S	.	.	H	α-helix	trans	-68.5	-42.9	178.5	-70.4	-65.1	-56.3	0	0	111.3	T253 F257 A278 F280 V289 D290 N295 I296 Q297 V312 T314	T253-M293 HydrophobicContact CG2-CG 4.3Å; T253-M293 HydrophobicContact CG2-SD 3.44Å; T253-M293 WeakPolarHBondContact CG2-SD 3.48Å; F257-M293 HydrophobicContact CE2-CE 4.05Å; F257-M293 HydrophobicContact CE2-SD 4.39Å; F257-M293 HydrophobicContact CZ-CE 4.13Å; A278-M293 HydrophobicContact CB-CE 3.8Å; A278-M293 HydrophobicContact CB-SD 4.12Å; F280-M293 HydrophobicContact CE2-CG 4.22Å; F280-M293 HydrophobicContact CE2-SD 4.06Å; F280-M293 HydrophobicContact CZ-CG 4.42Å; F280-M293 HydrophobicContact CZ-SD 4.02Å; V289-M293 HydrophobicContact CG1-CG 4.41Å; V289-M293 WeakPolarHBondContact O-CB 3.44Å; V289-M293 VanDerWaalsContact O-CG 3.29Å; V289-M293 WeakPolarHBondContact O-CG 3.3Å; V289-M293 PolarHBondContact O-N 3.44Å; D290-M293 PolarHBondContact O-N 3.02Å; M293-N295 VanDerWaalsContact C-N 3.33Å; M293-N295 PolarHBondContact O-N 3.26Å; M293-I296 PolarHBondContact O-N 2.78Å; M293-Q297 PolarHBondContact O-N 3.42Å; M293-V312 HydrophobicContact CE-CG1 3.26Å; M293-T314 HydrophobicContact CB-CG2 4.08Å; M293-T314 HydrophobicContact CE-CG2 4.34Å; M293-T314 HydrophobicContact CG-CG2 3.6Å
294	F	88.9	Confident	87.8	Confident	130 Å²	130	70.5 Å²	70.5	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-59.5	-44	173.2	-176.1	-96.8	0	0	0	111.7	D290 I296 Q297 D298	D290-F294 WeakPolarHBondContact O-CB 3.23Å; D290-F294 PolarHBondContact O-N 3.02Å; F294-I296 VanDerWaalsContact C-N 3.3Å; F294-I296 PolarHBondContact O-N 3.45Å; F294-Q297 PolarHBondContact O-N 3.27Å; F294-D298 WeakPolarHBondContact O-CB 3.5Å; F294-D298 PolarHBondContact O-N 3.41Å
295	N	90.6	Very high	87.6	Confident	66 Å²	66	69.9 Å²	69.9	35%	0.353	35%	0.346	S	S	.	.	H	α-helix	trans	-61.6	-34.2	177.1	-77.3	-33.5	0	0	0	113.5	E291 Q292 M293 K299	E291-N295 WeakPolarHBondContact O-CB 3.35Å; E291-N295 PolarHBondContact O-N 3.46Å; E291-N295 PolarHBondContact O-ND2 3.37Å; Q292-N295 PolarHBondContact O-N 2.98Å; M293-N295 VanDerWaalsContact C-N 3.33Å; M293-N295 PolarHBondContact O-N 3.26Å; N295-K299 WeakPolarHBondContact O-CB 3.44Å; N295-K299 WeakPolarHBondContact O-CD 3.3Å; N295-K299 WeakPolarHBondContact O-CG 3.3Å; N295-K299 PolarHBondContact O-N 3.21Å
296	I	87.1	Confident	87.1	Confident	17 Å²	17	71.3 Å²	71.3	9%	0.087	35%	0.349	C	S	.	.	H	α-helix	trans	-73.1	-43.4	174.8	-71.9	-164	0	0	0	110.6	T253 F257 Q292 M293 F294 D298 K299 N300	T253-I296 HydrophobicContact CG2-CD1 3.28Å; T253-I296 HydrophobicContact CG2-CG1 3.93Å; T253-I296 VanDerWaalsContact O-CD1 3.28Å; T253-I296 WeakPolarHBondContact O-CD1 3.32Å; F257-I296 HydrophobicContact CD1-CG2 4.42Å; F257-I296 HydrophobicContact CD2-CD1 3.72Å; F257-I296 HydrophobicContact CD2-CG2 3.71Å; F257-I296 HydrophobicContact CE1-CG2 4.45Å; F257-I296 HydrophobicContact CE2-CB 4.49Å; F257-I296 HydrophobicContact CE2-CD1 4.16Å; F257-I296 HydrophobicContact CE2-CG2 3.74Å; F257-I296 HydrophobicContact CG-CG2 4.06Å; F257-I296 HydrophobicContact CZ-CG2 4.12Å; Q292-I296 PolarHBondContact O-N 3.06Å; Q292-I296 VanDerWaalsContact O-N 3.11Å; M293-I296 PolarHBondContact O-N 2.78Å; F294-I296 VanDerWaalsContact C-N 3.3Å; F294-I296 PolarHBondContact O-N 3.45Å; I296-D298 VanDerWaalsContact C-N 3.33Å; I296-D298 PolarHBondContact O-N 3.01Å; I296-K299 PolarHBondContact O-N 3.43Å; I296-N300 VanDerWaalsContact O-CB 3.27Å; I296-N300 WeakPolarHBondContact O-CB 3.21Å; I296-N300 PolarHBondContact O-N 2.89Å
297	Q	86.3	Confident	86.8	Confident	58 Å²	58	69.5 Å²	69.5	27%	0.271	34%	0.338	S	S	.	.	H	α-helix	trans	-59.7	-44.4	179	-169.2	178.5	6.2	0	0	111.6	M293 F294 N300 S301 F304 N311	M293-Q297 PolarHBondContact O-N 3.42Å; F294-Q297 PolarHBondContact O-N 3.27Å; Q297-N300 CarbonylContact O-C 3.53Å; Q297-N300 PolarHBondContact O-N 3.5Å; Q297-S301 VanDerWaalsContact O-CA 3.3Å; Q297-S301 WeakPolarHBondContact O-CA 3.29Å; Q297-S301 PolarHBondContact O-N 2.86Å; Q297-F304 HydrophobicContact CB-CE2 4.44Å; Q297-F304 HydrophobicContact CG-CD2 4.19Å; Q297-F304 HydrophobicContact CG-CE2 4.29Å; Q297-N311 PolarHBondContact NE2-OD1 3.32Å
298	D	87.3	Confident	86	Confident	110 Å²	110	62.5 Å²	62.5	59%	0.588	31%	0.314	S	S	*	.	H	α-helix	trans	-64.2	-44.5	178.3	-172	53.8	0	0	0	112.1	F294 I296 N300 S301	F294-D298 WeakPolarHBondContact O-CB 3.5Å; F294-D298 PolarHBondContact O-N 3.41Å; I296-D298 VanDerWaalsContact C-N 3.33Å; I296-D298 PolarHBondContact O-N 3.01Å; D298-N300 VanDerWaalsContact C-N 3.3Å; D298-N300 PolarHBondContact O-N 3.21Å; D298-S301 PolarHBondContact O-OG 2.8Å
299	K	87.6	Confident	85.2	Confident	154 Å²	154	64.1 Å²	64.1	67%	0.67	33%	0.331	S	S	*	.	H	α-helix	trans	-65.1	-32.9	177.5	-76	174.4	-175.7	175	0	113.7	N295 I296	N295-K299 WeakPolarHBondContact O-CB 3.44Å; N295-K299 WeakPolarHBondContact O-CD 3.3Å; N295-K299 WeakPolarHBondContact O-CG 3.3Å; N295-K299 PolarHBondContact O-N 3.21Å; I296-K299 PolarHBondContact O-N 3.43Å
300	N	85.1	Confident	84.5	Confident	51 Å²	51	69.9 Å²	69.9	27%	0.273	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	24.1	-172.5	-69.6	-13.6	0	0	0	111.8	I296 Q297 D298 S302 Y303 F304	I296-N300 VanDerWaalsContact O-CB 3.27Å; I296-N300 WeakPolarHBondContact O-CB 3.21Å; I296-N300 PolarHBondContact O-N 2.89Å; Q297-N300 CarbonylContact O-C 3.53Å; Q297-N300 PolarHBondContact O-N 3.5Å; D298-N300 VanDerWaalsContact C-N 3.3Å; D298-N300 PolarHBondContact O-N 3.21Å; N300-S302 PolarHBondContact O-N 3.46Å; N300-S302 VanDerWaalsContact O-N 3.11Å; N300-Y303 HydrophobicContact CB-CD2 3.85Å; N300-Y303 WeakPolarHBondContact O-CB 3.43Å; N300-Y303 PolarHBondContact O-N 3.27Å; N300-F304 HydrophobicContact CB-CD2 4.46Å; N300-F304 HydrophobicContact CB-CE2 4.06Å; N300-F304 VanDerWaalsContact O-CD2 3.3Å; N300-F304 WeakPolarHBondContact O-CD2 3.46Å
301	S	82.6	Confident	84.2	Confident	67 Å²	67	66.4 Å²	66.4	47%	0.469	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-50.1	-41.1	-174.7	42.9	0	0	0	0	112.6	Q297 D298 Y303 F304	Q297-S301 VanDerWaalsContact O-CA 3.3Å; Q297-S301 WeakPolarHBondContact O-CA 3.29Å; Q297-S301 PolarHBondContact O-N 2.86Å; D298-S301 PolarHBondContact O-OG 2.8Å; S301-Y303 PolarHBondContact O-N 3.47Å; S301-Y303 VanDerWaalsContact O-N 3.11Å; S301-F304 PolarHBondContact O-N 3.09Å
302	S	84.3	Confident	84	Confident	76 Å²	76	63.3 Å²	63.3	53%	0.531	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-59.9	-21.9	176.5	61.2	0	0	0	0	116	N300	N300-S302 PolarHBondContact O-N 3.46Å; N300-S302 VanDerWaalsContact O-N 3.11Å
303	Y	86.3	Confident	83.8	Confident	84 Å²	84	64.1 Å²	64.1	33%	0.329	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-94.3	-1.5	179.4	-60.9	-60.3	0	0	0	112.5	R269 R272 Y273 N300 S301	R269-Y303 HydrophobicContact CB-CE1 4.22Å; R272-Y303 CarbonylContact C-O 3.59Å; R272-Y303 VanDerWaalsContact CA-O 3.28Å; R272-Y303 WeakPolarHBondContact CA-O 3.45Å; Y273-Y303 PolarHBondContact N-O 3.29Å; N300-Y303 HydrophobicContact CB-CD2 3.85Å; N300-Y303 WeakPolarHBondContact O-CB 3.43Å; N300-Y303 PolarHBondContact O-N 3.27Å; S301-Y303 PolarHBondContact O-N 3.47Å; S301-Y303 VanDerWaalsContact O-N 3.11Å
304	F	86.3	Confident	83.7	Confident	6 Å²	6	65 Å²	65	3%	0.026	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-105.4	147.3	174.3	-74	-77.5	0	0	0	109.1	F257 Y273 Q297 N300 S301 D306 N311 V312	F257-F304 HydrophobicContact CE1-CE1 4.38Å; F257-F304 AromaticContact CE1-CZ 3.72Å; F257-F304 HydrophobicContact CE1-CZ 3.72Å; F257-F304 HydrophobicContact CZ-CZ 4.12Å; Y273-F304 HydrophobicContact CD2-CD1 4.42Å; Y273-F304 HydrophobicContact CD2-CE1 4.09Å; Y273-F304 HydrophobicContact CD2-CZ 4.34Å; Y273-F304 HydrophobicContact CG-CD1 4.4Å; Y273-F304 HydrophobicContact CG-CE1 4.15Å; Q297-F304 HydrophobicContact CB-CE2 4.44Å; Q297-F304 HydrophobicContact CG-CD2 4.19Å; Q297-F304 HydrophobicContact CG-CE2 4.29Å; N300-F304 HydrophobicContact CB-CD2 4.46Å; N300-F304 HydrophobicContact CB-CE2 4.06Å; N300-F304 VanDerWaalsContact O-CD2 3.3Å; N300-F304 WeakPolarHBondContact O-CD2 3.46Å; S301-F304 PolarHBondContact O-N 3.09Å; F304-D306 PolarHBondContact O-N 3.43Å; F304-N311 WeakPolarHBondContact CB-ND2 3.37Å; F304-N311 WeakPolarHBondContact CD1-ND2 3.31Å; F304-V312 HydrophobicContact CD1-CG2 4.24Å; F304-V312 HydrophobicContact CE1-CG2 3.63Å; F304-V312 HydrophobicContact CZ-CG2 4.1Å
305	A	82.6	Confident	83.6	Confident	4 Å²	4	59.1 Å²	59.1	3%	0.033	32%	0.315	C	S	.	.			trans	-66.5	123.7	172.9	0	0	0	0	0	110.1	Y273 L274 W307 L308	Y273-A305 PolarHBondContact O-N 3.47Å; L274-A305 HydrophobicContact CD2-CB 4.42Å; A305-W307 HydrophobicContact CB-CZ2 4.41Å; A305-L308 HydrophobicContact CB-CD1 4.36Å
306	D	78.1	Confident	83.5	Confident	106 Å²	106	57 Å²	57	57%	0.567	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-28.1	-174.9	-65.5	-38.4	0	0	0	112.9	F304 L308	F304-D306 PolarHBondContact O-N 3.43Å; D306-L308 VanDerWaalsContact C-N 3.34Å
307	W	77.8	Confident	83.4	Confident	48 Å²	48	56.6 Å²	56.6	18%	0.182	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-15.5	-178.2	55	-95.4	0	0	0	113.5	F223 L274 A305 P309 Y388 A393 E396	F223-W307 AromaticContact CE2-CH2 3.61Å; F223-W307 HydrophobicContact CE2-CH2 3.61Å; F223-W307 HydrophobicContact CE2-CZ2 4.38Å; F223-W307 HydrophobicContact CE2-CZ3 4.33Å; F223-W307 HydrophobicContact CZ-CH2 4.04Å; F223-W307 HydrophobicContact CZ-CZ3 4.35Å; L274-W307 HydrophobicContact CD2-CZ2 3.86Å; A305-W307 HydrophobicContact CB-CZ2 4.41Å; W307-P309 WeakPolarHBondContact O-CD 3.45Å; W307-Y388 HydrophobicContact CZ2-CD1 4.3Å; W307-A393 HydrophobicContact CB-CB 4.39Å; W307-E396 WeakPolarHBondContact CB-OE2 3.36Å
308	L	74.6	Confident	83.3	Confident	39 Å²	39	58.7 Å²	58.7	20%	0.204	32%	0.316	C	S	.	.	S	Bend	trans	-98.6	98.8	176.9	-91.3	152.8	0	0	0	111.7	L274 A305 D306 N310 N311	L274-L308 HydrophobicContact CB-CD1 4.45Å; A305-L308 HydrophobicContact CB-CD1 4.36Å; D306-L308 VanDerWaalsContact C-N 3.34Å; L308-N310 PolarHBondContact O-N 3.38Å; L308-N311 HydrophobicContact CB-CB 4.29Å
309	P	72.4	Confident	83.2	Confident	108 Å²	108	54.7 Å²	54.7	70%	0.701	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	137.7	175	27.9	-34.4	0	0	0	111	W307 N311	W307-P309 WeakPolarHBondContact O-CD 3.45Å; P309-N311 PolarHBondContact O-N 2.85Å
310	N	76	Confident	83.1	Confident	121 Å²	121	49.8 Å²	49.8	65%	0.647	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	45	177	-56.6	-50	0	0	0	114.9	L308 V312 K313	L308-N310 PolarHBondContact O-N 3.38Å; N310-V312 PolarHBondContact O-N 3.08Å; N310-K313 PolarHBondContact O-NZ 3.45Å
311	N	82.7	Confident	83	Confident	9 Å²	9	48.1 Å²	48.1	5%	0.048	27%	0.27	C	S	.	.			trans	-66	-16.6	178.1	54.8	1.2	0	0	0	115.6	L274 T275 A276 Q297 F304 L308 P309	L274-N311 VanDerWaalsContact O-CB 3.24Å; L274-N311 WeakPolarHBondContact O-CB 3.37Å; T275-N311 WeakPolarHBondContact CA-O 3.45Å; A276-N311 PolarHBondContact N-O 3.06Å; Q297-N311 PolarHBondContact NE2-OD1 3.32Å; F304-N311 WeakPolarHBondContact CB-ND2 3.37Å; F304-N311 WeakPolarHBondContact CD1-ND2 3.31Å; L308-N311 HydrophobicContact CB-CB 4.29Å; P309-N311 PolarHBondContact O-N 2.85Å
312	V	86	Confident	82.7	Confident	24 Å²	24	53.4 Å²	53.4	15%	0.145	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124	177.9	-173.1	0	0	0	0	111	A276 M293 F304 N310	A276-V312 HydrophobicContact CB-CG1 4.49Å; A276-V312 HydrophobicContact CB-CG2 4.28Å; A276-V312 CarbonylContact O-C 3.49Å; A276-V312 VanDerWaalsContact O-CA 3.31Å; A276-V312 WeakPolarHBondContact O-CA 3.41Å; M293-V312 HydrophobicContact CE-CG1 3.26Å; F304-V312 HydrophobicContact CD1-CG2 4.24Å; F304-V312 HydrophobicContact CE1-CG2 3.63Å; F304-V312 HydrophobicContact CZ-CG2 4.1Å; N310-V312 PolarHBondContact O-N 3.08Å
313	K	88.1	Confident	82.4	Confident	58 Å²	58	53 Å²	53	25%	0.252	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.8	174	-57.8	-54.6	-176.5	-151.4	0	111	L209 N219 A276 A277 A278 N310	L209-K313 HydrophobicContact CD2-CB 4.21Å; N219-K313 HydrophobicContact CB-CG 4.34Å; A276-K313 PolarHBondContact O-N 3.49Å; A277-K313 CarbonylContact C-O 3.59Å; A277-K313 WeakPolarHBondContact CA-O 3.46Å; A278-K313 PolarHBondContact N-O 3.08Å; N310-K313 PolarHBondContact O-NZ 3.45Å
314	T	88.1	Confident	82.3	Confident	29 Å²	29	50.9 Å²	50.9	18%	0.178	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.2	175.9	52.8	0	0	0	0	110.2	A278 V289 D290 M293	A278-T314 HydrophobicContact CB-CG2 4.44Å; A278-T314 CarbonylContact O-C 3.52Å; A278-T314 WeakPolarHBondContact O-CA 3.49Å; V289-T314 HydrophobicContact CG1-CG2 4.42Å; D290-T314 PolarHBondContact OD1-OG1 3.26Å; M293-T314 HydrophobicContact CB-CG2 4.08Å; M293-T314 HydrophobicContact CE-CG2 4.34Å; M293-T314 HydrophobicContact CG-CG2 3.6Å
315	A	86.6	Confident	82.3	Confident	7 Å²	7	59.1 Å²	59.1	6%	0.058	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.4	171.2	0	0	0	0	0	108.6	L209 A278 I279 F280	L209-A315 HydrophobicContact CB-CB 4.32Å; A278-A315 PolarHBondContact O-N 3.09Å; I279-A315 CarbonylContact C-O 3.57Å; I279-A315 HydrophobicContact CG1-CB 4.4Å; F280-A315 PolarHBondContact N-O 3.31Å
316	V	87.6	Confident	82.6	Confident	21 Å²	21	60.2 Å²	60.2	13%	0.127	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.4	178.1	-179	0	0	0	0	108.6	F280 M284 M286 V289	F280-V316 HydrophobicContact CB-CG2 4.38Å; F280-V316 CarbonylContact O-C 3.42Å; F280-V316 WeakPolarHBondContact O-CA 3.39Å; M284-V316 HydrophobicContact CE-CG1 4.26Å; M284-V316 HydrophobicContact CG-CG1 4Å; M286-V316 HydrophobicContact CE-CB 4.25Å; M286-V316 HydrophobicContact CG-CB 4.36Å; M286-V316 HydrophobicContact CG-CG2 4.16Å; V289-V316 HydrophobicContact CG1-CG2 4.4Å; V289-V316 HydrophobicContact CG2-CG2 4.3Å
317	C	85.5	Confident	83.2	Confident	8 Å²	8	55.2 Å²	55.2	5%	0.054	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.7	173.8	179.2	0	0	0	0	109.5	T201 F280 R281 G282 I319	T201-C317 HydrophobicContact CG2-CB 3.7Å; F280-C317 PolarHBondContact O-N 3.15Å; R281-C317 CarbonylContact C-O 3.57Å; R281-C317 VanDerWaalsContact CA-O 3.31Å; R281-C317 WeakPolarHBondContact CA-O 3.29Å; R281-C317 HydrophobicContact CG-CB 4.44Å; G282-C317 PolarHBondContact N-O 3.05Å; C317-I319 PolarHBondContact O-N 2.84Å
318	D	84.7	Confident	83.8	Confident	103 Å²	103	52.9 Å²	52.9	55%	0.551	29%	0.287	S	S	*	.	S	Bend	trans	-70.8	-17.4	-177	-70.4	-35.7	0	0	0	113.6	P320	D318-P320 VanDerWaalsContact O-CD 3.26Å; D318-P320 WeakPolarHBondContact O-CD 3.05Å
319	I	83.4	Confident	84.7	Confident	26 Å²	26	51 Å²	51	13%	0.133	28%	0.277	C	S	.	.			trans	-92.8	107.6	-175.7	-59.9	175.4	0	0	0	109.8	L42 F205 R281 C317	L42-I319 HydrophobicContact CB-CD1 3.67Å; L42-I319 HydrophobicContact CD1-CD1 4.21Å; F205-I319 HydrophobicContact CD1-CD1 3.39Å; F205-I319 HydrophobicContact CE1-CD1 3.51Å; F205-I319 HydrophobicContact CE1-CG2 4.31Å; F205-I319 HydrophobicContact CE2-CG2 4.4Å; F205-I319 HydrophobicContact CG-CD1 4.05Å; F205-I319 HydrophobicContact CZ-CD1 4.27Å; F205-I319 HydrophobicContact CZ-CG2 4.05Å; R281-I319 PolarHBondContact NE-O 3.05Å; R281-I319 VanDerWaalsContact NE-O 3.17Å; R281-I319 PolarHBondContact NH2-O 2.76Å; C317-I319 PolarHBondContact O-N 2.84Å
320	P	85.6	Confident	85.6	Confident	51 Å²	51	45.9 Å²	45.9	33%	0.331	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-74.2	157.8	176.8	33.4	-35.3	0	0	0	111.3	D318 L324 K325	D318-P320 VanDerWaalsContact O-CD 3.26Å; D318-P320 WeakPolarHBondContact O-CD 3.05Å; P320-L324 WeakPolarHBondContact CB-O 3.48Å; P320-K325 WeakPolarHBondContact CB-O 3.47Å
321	P	84	Confident	86.4	Confident	15 Å²	15	40.1 Å²	40.1	10%	0.097	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-69.9	157.3	171.7	28	-31	0	0	0	111.6	G323 L324 S327	P321-G323 PolarHBondContact O-N 3.36Å; P321-L324 HydrophobicContact CG-CB 4.14Å; P321-L324 HydrophobicContact CG-CD1 4.09Å; P321-L324 PolarHBondContact O-N 3.47Å; P321-L324 VanDerWaalsContact O-O 3.1Å; P321-S327 WeakPolarHBondContact CD-OG 3.34Å; P321-S327 VanDerWaalsContact CG-OG 3.29Å; P321-S327 WeakPolarHBondContact CG-OG 3.33Å
322	R	76.6	Confident	86.9	Confident	179 Å²	179	39.7 Å²	39.7	68%	0.675	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	129.4	-177.2	-169	178.9	-176.6	-174.1	10.8	111.3	D26 L324	D26-R322 IonicContact OD1-NH1 2.67Å; D26-R322 PolarHBondContact OD1-NH1 2.84Å; D26-R322 IonicContact OD2-CZ 3.79Å; D26-R322 IonicContact OD2-NH1 2.77Å; D26-R322 PolarHBondContact OD2-NH1 3.02Å; R322-L324 VanDerWaalsContact C-N 3.32Å; R322-L324 PolarHBondContact O-N 3Å
323	G	78.4	Confident	87.2	Confident	68 Å²	68	38.6 Å²	38.6	70%	0.701	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	-2.6	177.1	0	0	0	0	0	115.4	P321	P321-G323 PolarHBondContact O-N 3.36Å
324	L	83.3	Confident	87.4	Confident	39 Å²	39	35.8 Å²	35.8	20%	0.204	19%	0.192	C	C	.	.			trans	-124.1	147.3	176.3	-69.5	160	0	0	0	109.8	F233 P235 P320 P321 R322	F233-L324 HydrophobicContact CE1-CD1 4.5Å; F233-L324 HydrophobicContact CZ-CD1 4.18Å; P235-L324 HydrophobicContact CG-CD2 3.81Å; P320-L324 WeakPolarHBondContact CB-O 3.48Å; P321-L324 HydrophobicContact CG-CB 4.14Å; P321-L324 HydrophobicContact CG-CD1 4.09Å; P321-L324 PolarHBondContact O-N 3.47Å; P321-L324 VanDerWaalsContact O-O 3.1Å; R322-L324 VanDerWaalsContact C-N 3.32Å; R322-L324 PolarHBondContact O-N 3Å
325	K	86.1	Confident	87.6	Confident	179 Å²	179	34.4 Å²	34.4	78%	0.778	18%	0.183	S	C	*	.	S	Bend	trans	-84.3	-34.2	174.4	-70.3	-174.3	178.9	-179.7	0	112.3	P320	P320-K325 WeakPolarHBondContact CB-O 3.47Å
326	M	89	Confident	87.8	Confident	27 Å²	27	34.1 Å²	34.1	13%	0.133	18%	0.181	C	C	.	.			trans	-144.9	145.9	179.5	-55.3	-174.9	-45	0	0	108.8	L247 L252 R281	L247-M326 HydrophobicContact CB-CE 4.09Å; L247-M326 WeakPolarHBondContact O-CE 3.33Å; L252-M326 HydrophobicContact CD1-CB 3.88Å; L252-M326 HydrophobicContact CD1-CE 4.1Å; R281-M326 CarbonylContact O-C 3.49Å; R281-M326 WeakPolarHBondContact O-CA 3.46Å
327	S	90.8	Very high	88	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	163.4	169.7	69.6	0	0	0	0	110	A234 F280 R281 P321	A234-S327 CarbonylContact O-C 3.57Å; A234-S327 WeakPolarHBondContact O-CA 3.21Å; A234-S327 WeakPolarHBondContact O-CB 3.46Å; F280-S327 WeakPolarHBondContact CA-O 3.2Å; R281-S327 WeakPolarHBondContact CB-OG 3.39Å; R281-S327 PolarHBondContact N-O 3.42Å; R281-S327 PolarHBondContact O-N 3.18Å; P321-S327 WeakPolarHBondContact CD-OG 3.34Å; P321-S327 VanDerWaalsContact CG-OG 3.29Å; P321-S327 WeakPolarHBondContact CG-OG 3.33Å
328	A	91.5	Very high	88.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	133.9	171.7	0	0	0	0	0	109.6	A234 L252 M256 I279 F280	A234-A328 PolarHBondContact N-O 3.01Å; A234-A328 PolarHBondContact O-N 2.84Å; L252-A328 HydrophobicContact CB-CB 4.18Å; M256-A328 HydrophobicContact CE-CB 4.23Å; M256-A328 HydrophobicContact CG-CB 4.02Å; M256-A328 HydrophobicContact SD-CB 3.3Å; M256-A328 WeakPolarHBondContact SD-CB 3.45Å; I279-A328 CarbonylContact O-C 3.5Å; I279-A328 VanDerWaalsContact O-CA 3.31Å; I279-A328 WeakPolarHBondContact O-CA 3.24Å; F280-A328 HydrophobicContact CD1-CB 3.65Å; F280-A328 HydrophobicContact CE1-CB 3.74Å; F280-A328 HydrophobicContact CG-CB 4.29Å; F280-A328 HydrophobicContact CZ-CB 4.45Å
329	T	91.9	Very high	88.6	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.5	175	-55.6	0	0	0	0	107.9	G198 V199 G232 I279	G198-T329 VanDerWaalsContact CA-OG1 3.32Å; G198-T329 WeakPolarHBondContact CA-OG1 3.45Å; V199-T329 HydrophobicContact CG2-CG2 4.09Å; G232-T329 WeakPolarHBondContact O-CA 3.22Å; I279-T329 PolarHBondContact N-O 2.96Å; I279-T329 PolarHBondContact O-N 3.04Å
330	F	92.4	Very high	88.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.4	178.4	-177.2	-110.4	0	0	0	109.1	P231 G232 M256 F257 M262 Y273 A276	P231-F330 CarbonylContact C-O 3.45Å; P231-F330 WeakPolarHBondContact CA-O 3.42Å; G232-F330 PolarHBondContact N-O 2.83Å; G232-F330 PolarHBondContact O-N 3.37Å; M256-F330 HydrophobicContact CB-CB 4.28Å; M256-F330 HydrophobicContact CE-CB 3.65Å; M256-F330 HydrophobicContact CE-CD2 3.8Å; M256-F330 HydrophobicContact CE-CG 4.2Å; M256-F330 HydrophobicContact CG-CB 4.36Å; F257-F330 HydrophobicContact CD1-CE2 4.47Å; F257-F330 HydrophobicContact CD1-CZ 4.45Å; F257-F330 AromaticContact CE1-CE2 3.83Å; F257-F330 HydrophobicContact CE1-CE2 3.83Å; F257-F330 HydrophobicContact CE1-CZ 4.03Å; F257-F330 AromaticContact CZ-CE2 3.87Å; F257-F330 HydrophobicContact CZ-CE2 3.87Å; M262-F330 HydrophobicContact CE-CD1 3.66Å; M262-F330 HydrophobicContact CE-CE1 3.71Å; M262-F330 HydrophobicContact SD-CD1 3.94Å; M262-F330 HydrophobicContact SD-CE1 4.15Å; Y273-F330 HydrophobicContact CD1-CZ 4.1Å; Y273-F330 AromaticContact CE1-CE1 3.73Å; Y273-F330 HydrophobicContact CE1-CE1 3.73Å; Y273-F330 AromaticContact CE1-CZ 3.47Å; Y273-F330 HydrophobicContact CE1-CZ 3.47Å; Y273-F330 VanDerWaalsContact CE1-CZ 3.47Å; Y273-F330 AromaticContact CZ-CZ 3.92Å; A276-F330 HydrophobicContact CB-CE2 3.82Å; A276-F330 HydrophobicContact CB-CZ 4.11Å
331	I	92.6	Very high	89.2	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	110.9	168.5	-51.7	168.5	0	0	0	105.1	F163 V199 L216 M220 F229 A276 A277 I279	F163-I331 HydrophobicContact CD1-CG2 4.38Å; F163-I331 HydrophobicContact CE1-CD1 4.06Å; F163-I331 HydrophobicContact CE1-CG1 4.24Å; F163-I331 HydrophobicContact CE1-CG2 3.74Å; V199-I331 HydrophobicContact CB-CD1 4.37Å; V199-I331 HydrophobicContact CG1-CD1 4Å; V199-I331 HydrophobicContact CG2-CD1 3.91Å; V199-I331 HydrophobicContact CG2-CG1 4.03Å; L216-I331 HydrophobicContact CD1-CD1 4.35Å; L216-I331 HydrophobicContact CD2-CD1 4.44Å; M220-I331 HydrophobicContact CE-CB 4.29Å; M220-I331 HydrophobicContact CE-CG2 3.91Å; M220-I331 VanDerWaalsContact CE-O 3.25Å; M220-I331 WeakPolarHBondContact CE-O 3.34Å; F229-I331 HydrophobicContact CB-CG2 3.74Å; F229-I331 HydrophobicContact CD1-CG2 4.39Å; F229-I331 HydrophobicContact CD2-CG2 4Å; F229-I331 HydrophobicContact CG-CG2 3.79Å; A276-I331 CarbonylContact C-O 3.46Å; A276-I331 WeakPolarHBondContact CA-O 3.49Å; A277-I331 HydrophobicContact CB-CB 4.29Å; A277-I331 PolarHBondContact N-O 3.38Å; A277-I331 PolarHBondContact O-N 3.08Å; I279-I331 HydrophobicContact CD1-CD1 4.05Å
332	G	91.9	Very high	89.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132	178.2	0	0	0	0	0	111.1	F229 M230	F229-G332 WeakPolarHBondContact CA-O 3.23Å; M230-G332 PolarHBondContact N-O 2.75Å; M230-G332 PolarHBondContact O-N 3.44Å
333	N	92.9	Very high	90.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	102.5	159.6	-165.6	-12.5	0	0	0	107.3	M220 L226 F229 Y273 L274 T275	M220-N333 PolarHBondContact O-ND2 2.89Å; L226-N333 PolarHBondContact O-ND2 3.21Å; F229-N333 HydrophobicContact CD1-CB 4.01Å; F229-N333 HydrophobicContact CE1-CB 4.15Å; Y273-N333 CarbonylContact C-O 3.53Å; Y273-N333 WeakPolarHBondContact CA-O 3.45Å; L274-N333 HydrophobicContact CB-CB 4.48Å; L274-N333 PolarHBondContact N-O 2.95Å; T275-N333 PolarHBondContact N-O 3.48Å; T275-N333 PolarHBondContact O-N 3.36Å; T275-N333 WeakPolarHBondContact OG1-CB 3.46Å
334	N	92.1	Very high	90.7	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.6	-175.4	-170.9	-39.4	0	0	0	109.4	M230 P268 R272 Y273 A336 I337	M230-N334 HydrophobicContact SD-CB 4Å; P268-N334 PolarHBondContact O-ND2 3.26Å; R272-N334 PolarHBondContact N-OD1 3.38Å; R272-N334 WeakPolarHBondContact O-CA 3.5Å; R272-N334 PolarHBondContact O-OD1 3.41Å; Y273-N334 HydrophobicContact CD1-CB 3.66Å; Y273-N334 WeakPolarHBondContact CD1-ND2 3.39Å; Y273-N334 HydrophobicContact CE1-CB 3.8Å; Y273-N334 VanDerWaalsContact CE1-ND2 3.31Å; Y273-N334 WeakPolarHBondContact CE1-ND2 3.44Å; Y273-N334 HydrophobicContact CG-CB 4.4Å; N334-A336 PolarHBondContact O-N 3.46Å; N334-A336 VanDerWaalsContact O-N 3.13Å; N334-A336 VanDerWaalsContact OD1-CB 3.29Å; N334-A336 WeakPolarHBondContact OD1-CB 3.38Å; N334-A336 PolarHBondContact OD1-N 3Å; N334-I337 WeakPolarHBondContact O-CB 3.37Å; N334-I337 WeakPolarHBondContact O-CG2 3.34Å; N334-I337 PolarHBondContact O-N 3.19Å; N334-I337 VanDerWaalsContact O-N 3.12Å
335	T	92.1	Very high	91.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-60.8	-21.6	178	64.7	0	0	0	0	113	G271 R272 L274 I337 Q338 Y385 Q389	G271-T335 VanDerWaalsContact CA-OG1 3.23Å; G271-T335 WeakPolarHBondContact CA-OG1 3.26Å; R272-T335 PolarHBondContact N-OG1 3.48Å; R272-T335 PolarHBondContact O-N 2.98Å; L274-T335 HydrophobicContact CD1-CG2 4.46Å; L274-T335 HydrophobicContact CD2-CG2 4.22Å; L274-T335 HydrophobicContact CG-CG2 4.26Å; T335-I337 PolarHBondContact O-N 3.33Å; T335-I337 VanDerWaalsContact O-N 3.07Å; T335-Q338 WeakPolarHBondContact O-CB 3.44Å; T335-Q338 WeakPolarHBondContact O-CG 3.31Å; T335-Q338 PolarHBondContact O-N 2.9Å; T335-Q338 VanDerWaalsContact O-N 3.08Å; T335-Y385 HydrophobicContact CG2-CD1 4.33Å; T335-Q389 HydrophobicContact CG2-CB 3.96Å; T335-Q389 PolarHBondContact OG1-OE1 3.48Å
336	A	92.1	Very high	91.4	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.008	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-58.6	-18.3	174.4	0	0	0	0	0	113.9	C266 D267 N334 Q338 E339	C266-A336 HydrophobicContact CB-CB 4.36Å; C266-A336 WeakPolarHBondContact CB-O 3.27Å; D267-A336 WeakPolarHBondContact O-CB 3.01Å; N334-A336 PolarHBondContact O-N 3.46Å; N334-A336 VanDerWaalsContact O-N 3.13Å; N334-A336 VanDerWaalsContact OD1-CB 3.29Å; N334-A336 WeakPolarHBondContact OD1-CB 3.38Å; N334-A336 PolarHBondContact OD1-N 3Å; A336-Q338 PolarHBondContact O-N 3.37Å; A336-E339 PolarHBondContact O-N 3.24Å
337	I	92	Very high	91.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-56.6	-21.9	173	-162	72.6	0	0	0	112.1	C164 F228 M230 A264 N334 T335 E339 L340 F341 Y385	C164-I337 HydrophobicContact CB-CD1 4.03Å; F228-I337 HydrophobicContact CB-CG1 4.32Å; M230-I337 HydrophobicContact CG-CB 4.44Å; M230-I337 HydrophobicContact CG-CD1 3.58Å; M230-I337 HydrophobicContact SD-CB 4.44Å; M230-I337 HydrophobicContact SD-CD1 4.32Å; A264-I337 HydrophobicContact CB-CD1 4.3Å; N334-I337 WeakPolarHBondContact O-CB 3.37Å; N334-I337 WeakPolarHBondContact O-CG2 3.34Å; N334-I337 PolarHBondContact O-N 3.19Å; N334-I337 VanDerWaalsContact O-N 3.12Å; T335-I337 PolarHBondContact O-N 3.33Å; T335-I337 VanDerWaalsContact O-N 3.07Å; I337-E339 PolarHBondContact O-N 3.21Å; I337-E339 VanDerWaalsContact O-N 3.15Å; I337-L340 HydrophobicContact CD1-CB 4.49Å; I337-L340 HydrophobicContact CD1-CD2 3.69Å; I337-L340 HydrophobicContact CG1-CD2 4.3Å; I337-L340 WeakPolarHBondContact O-CB 3.47Å; I337-L340 PolarHBondContact O-N 3.33Å; I337-F341 HydrophobicContact CG1-CD2 4.45Å; I337-F341 HydrophobicContact CG1-CE2 3.86Å; I337-F341 HydrophobicContact CG2-CE2 4.16Å; I337-F341 WeakPolarHBondContact O-CD2 3.49Å; I337-Y385 HydrophobicContact CG2-CD1 4.11Å; I337-Y385 HydrophobicContact CG2-CD2 4.08Å; I337-Y385 HydrophobicContact CG2-CE1 3.7Å; I337-Y385 HydrophobicContact CG2-CE2 3.68Å; I337-Y385 HydrophobicContact CG2-CG 4.29Å; I337-Y385 VanDerWaalsContact CG2-CZ 3.48Å
338	Q	90.8	Very high	91.5	Very high	9 Å²	9	20.7 Å²	20.7	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-56.2	-28.8	174.1	71.7	171.8	-57.5	0	0	113.8	T335 A336 L340 F341 K342 V382 Q386	T335-Q338 WeakPolarHBondContact O-CB 3.44Å; T335-Q338 WeakPolarHBondContact O-CG 3.31Å; T335-Q338 PolarHBondContact O-N 2.9Å; T335-Q338 VanDerWaalsContact O-N 3.08Å; A336-Q338 PolarHBondContact O-N 3.37Å; Q338-L340 VanDerWaalsContact C-N 3.26Å; Q338-L340 PolarHBondContact O-N 2.86Å; Q338-F341 PolarHBondContact O-N 3.35Å; Q338-K342 WeakPolarHBondContact O-CB 3.28Å; Q338-K342 VanDerWaalsContact O-CG 3.31Å; Q338-K342 WeakPolarHBondContact O-CG 3.31Å; Q338-K342 PolarHBondContact O-N 3.39Å; Q338-K342 VanDerWaalsContact OE1-CE 3.31Å; Q338-V382 HydrophobicContact CB-CG1 4.4Å; Q338-Q386 VanDerWaalsContact OE1-OE1 3.11Å
339	E	90.4	Very high	91.5	Very high	67 Å²	67	22 Å²	22	31%	0.313	10%	0.103	S	C	.	.	H	α-helix	trans	-62.1	-37.1	177.4	-67.1	-174.1	156.8	0	0	111.5	C266 D267 H270 A336 I337 R343	C266-E339 WeakPolarHBondContact CA-OE2 3.44Å; C266-E339 HydrophobicContact CB-CB 4.41Å; D267-E339 PolarHBondContact N-OE2 3.23Å; H270-E339 IonicContact CE1-OE1 3.86Å; H270-E339 IonicContact CG-OE1 2.7Å; H270-E339 IonicContact ND1-OE1 3.92Å; H270-E339 PolarHBondContact ND1-OE1 3.49Å; A336-E339 PolarHBondContact O-N 3.24Å; I337-E339 PolarHBondContact O-N 3.21Å; I337-E339 VanDerWaalsContact O-N 3.15Å; E339-R343 WeakPolarHBondContact O-CB 3.41Å; E339-R343 PolarHBondContact O-N 2.49Å
340	L	90	Very high	91.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.9	-47.9	177.2	-178.1	65.8	0	0	0	111	L133 C164 I337 Q338 R343 V344	L133-L340 HydrophobicContact CB-CD1 4.49Å; L133-L340 HydrophobicContact CD1-CD2 3.66Å; L133-L340 HydrophobicContact CD2-CD1 3.95Å; L133-L340 HydrophobicContact CD2-CD2 3.58Å; L133-L340 HydrophobicContact CD2-CG 3.72Å; L133-L340 HydrophobicContact CG-CD2 4.17Å; C164-L340 HydrophobicContact CB-CD2 4.2Å; I337-L340 HydrophobicContact CD1-CB 4.49Å; I337-L340 HydrophobicContact CD1-CD2 3.69Å; I337-L340 HydrophobicContact CG1-CD2 4.3Å; I337-L340 WeakPolarHBondContact O-CB 3.47Å; I337-L340 PolarHBondContact O-N 3.33Å; Q338-L340 VanDerWaalsContact C-N 3.26Å; Q338-L340 PolarHBondContact O-N 2.86Å; L340-R343 PolarHBondContact O-N 3.01Å; L340-V344 WeakPolarHBondContact O-CG2 3.43Å; L340-V344 PolarHBondContact O-N 3.19Å; L340-V344 VanDerWaalsContact O-N 3.15Å
341	F	91.5	Very high	91.4	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.132	C	C	.	.	H	α-helix	trans	-68.7	-40.2	178.9	-64.8	-62.3	0	0	0	111.9	V152 F228 I337 Q338 R343 V344 S345 M378 L381 V382 Y385	V152-F341 HydrophobicContact CG1-CD1 4.18Å; V152-F341 HydrophobicContact CG1-CE1 3.76Å; V152-F341 HydrophobicContact CG2-CD1 4.48Å; V152-F341 HydrophobicContact CG2-CE1 3.98Å; F228-F341 HydrophobicContact CB-CE2 4.39Å; F228-F341 HydrophobicContact CB-CZ 4.28Å; F228-F341 AromaticContact CD1-CZ 3.76Å; F228-F341 HydrophobicContact CD1-CZ 3.76Å; F228-F341 HydrophobicContact CD2-CE2 4.17Å; F228-F341 AromaticContact CD2-CZ 3.89Å; F228-F341 HydrophobicContact CD2-CZ 3.89Å; F228-F341 AromaticContact CE1-CZ 4Å; F228-F341 HydrophobicContact CE1-CZ 4Å; F228-F341 HydrophobicContact CE2-CZ 4.13Å; F228-F341 HydrophobicContact CG-CE2 4.14Å; F228-F341 AromaticContact CG-CZ 3.69Å; F228-F341 HydrophobicContact CG-CZ 3.69Å; F228-F341 HydrophobicContact CZ-CZ 4.18Å; I337-F341 HydrophobicContact CG1-CD2 4.45Å; I337-F341 HydrophobicContact CG1-CE2 3.86Å; I337-F341 HydrophobicContact CG2-CE2 4.16Å; I337-F341 WeakPolarHBondContact O-CD2 3.49Å; Q338-F341 PolarHBondContact O-N 3.35Å; F341-R343 VanDerWaalsContact C-N 3.32Å; F341-R343 PolarHBondContact O-N 3Å; F341-V344 PolarHBondContact O-N 3.36Å; F341-S345 VanDerWaalsContact O-CB 3.3Å; F341-S345 WeakPolarHBondContact O-CB 3.3Å; F341-S345 PolarHBondContact O-N 2.89Å; F341-M378 HydrophobicContact CB-CG 4.38Å; F341-M378 HydrophobicContact CD1-CG 4.44Å; F341-M378 HydrophobicContact CD1-SD 4.43Å; F341-L381 HydrophobicContact CD2-CD2 4.22Å; F341-L381 HydrophobicContact CE1-CD2 4.34Å; F341-L381 HydrophobicContact CE2-CD2 3.93Å; F341-L381 HydrophobicContact CZ-CD2 3.99Å; F341-V382 HydrophobicContact CB-CG2 3.55Å; F341-Y385 HydrophobicContact CE2-CE2 4.32Å
342	K	91.4	Very high	91.4	Very high	83 Å²	83	27.6 Å²	27.6	36%	0.361	14%	0.138	S	C	.	.	H	α-helix	trans	-57.2	-44.6	172.6	-77.4	174.4	174.8	168.6	0	111.4	Q338 V344 S345 E346 V382	Q338-K342 WeakPolarHBondContact O-CB 3.28Å; Q338-K342 VanDerWaalsContact O-CG 3.31Å; Q338-K342 WeakPolarHBondContact O-CG 3.31Å; Q338-K342 PolarHBondContact O-N 3.39Å; Q338-K342 VanDerWaalsContact OE1-CE 3.31Å; K342-V344 PolarHBondContact O-N 3.35Å; K342-S345 PolarHBondContact O-N 2.82Å; K342-E346 WeakPolarHBondContact O-CG 3.48Å; K342-E346 PolarHBondContact O-N 3.22Å; K342-V382 HydrophobicContact CD-CG1 4.25Å; K342-V382 VanDerWaalsContact CE-CG1 3.41Å; K342-V382 HydrophobicContact CG-CG1 3.89Å; K342-V382 HydrophobicContact CG-CG2 4.43Å
343	R	90.4	Very high	91.4	Very high	49 Å²	49	37.5 Å²	37.5	19%	0.185	18%	0.176	C	C	.	.	H	α-helix	trans	-61.1	-44	177.3	-173.8	-179.4	69.3	-162.5	-5.2	112.4	D166 E168 E339 L340 F341 Q347	D166-R343 IonicContact OD1-NH2 3.59Å; D166-R343 IonicContact OD2-CZ 3.17Å; D166-R343 IonicContact OD2-NH1 3.64Å; D166-R343 PolarHBondContact OD2-NH1 2.83Å; D166-R343 VanDerWaalsContact OD2-NH1 3.17Å; D166-R343 IonicContact OD2-NH2 3.31Å; D166-R343 PolarHBondContact OD2-NH2 3.16Å; E168-R343 IonicContact OE2-CZ 2.88Å; E168-R343 IonicContact OE2-NH1 2.72Å; E168-R343 PolarHBondContact OE2-NH1 3.12Å; E339-R343 WeakPolarHBondContact O-CB 3.41Å; E339-R343 PolarHBondContact O-N 2.49Å; L340-R343 PolarHBondContact O-N 3.01Å; F341-R343 VanDerWaalsContact C-N 3.32Å; F341-R343 PolarHBondContact O-N 3Å; R343-Q347 WeakPolarHBondContact O-CG 3.38Å; R343-Q347 PolarHBondContact O-N 3.31Å
344	V	89.7	Confident	91.3	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.036	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-42.9	176.9	175.2	0	0	0	0	110.6	A148 L340 F341 K342 Q347 F348 M378	A148-V344 HydrophobicContact CB-CG1 3.92Å; L340-V344 WeakPolarHBondContact O-CG2 3.43Å; L340-V344 PolarHBondContact O-N 3.19Å; L340-V344 VanDerWaalsContact O-N 3.15Å; F341-V344 PolarHBondContact O-N 3.36Å; K342-V344 PolarHBondContact O-N 3.35Å; V344-Q347 PolarHBondContact O-N 2.98Å; V344-F348 WeakPolarHBondContact O-CB 3.35Å; V344-F348 PolarHBondContact O-N 2.99Å; V344-M378 HydrophobicContact CG1-SD 4.33Å
345	S	91.5	Very high	91.2	Very high	10 Å²	10	53.1 Å²	53.1	7%	0.07	24%	0.238	C	C	.	.	H	α-helix	trans	-58.6	-49.8	177	-165.3	0	0	0	0	111.9	F341 K342 Q347 F348 T349 N379	F341-S345 VanDerWaalsContact O-CB 3.3Å; F341-S345 WeakPolarHBondContact O-CB 3.3Å; F341-S345 PolarHBondContact O-N 2.89Å; K342-S345 PolarHBondContact O-N 2.82Å; S345-Q347 VanDerWaalsContact C-N 3.32Å; S345-Q347 PolarHBondContact O-N 2.69Å; S345-F348 WeakPolarHBondContact O-CB 3.44Å; S345-F348 PolarHBondContact O-N 3.33Å; S345-F348 VanDerWaalsContact O-N 3.15Å; S345-T349 PolarHBondContact O-N 2.7Å; S345-T349 PolarHBondContact O-OG1 2.83Å; S345-N379 PolarHBondContact OG-OD1 3.28Å; S345-N379 VanDerWaalsContact OG-OD1 3.04Å
346	E	91.4	Very high	91.1	Very high	141 Å²	141	54.6 Å²	54.6	66%	0.659	25%	0.25	S	S	*	.	H	α-helix	trans	-59.2	-42.1	179.1	-75.3	178.9	-178	0	0	112.6	K342 A350	K342-E346 WeakPolarHBondContact O-CG 3.48Å; K342-E346 PolarHBondContact O-N 3.22Å; E346-A350 WeakPolarHBondContact O-CB 3.47Å; E346-A350 PolarHBondContact O-N 3.17Å
347	Q	89.9	Confident	90.9	Very high	66 Å²	66	58.3 Å²	58.3	31%	0.308	27%	0.266	S	S	.	.	H	α-helix	trans	-67.6	-41.8	177.1	-68.7	177.5	5.6	0	0	111.6	P145 R343 V344 S345 A350 M351	P145-Q347 HydrophobicContact CB-CB 3.94Å; P145-Q347 HydrophobicContact CG-CB 3.73Å; R343-Q347 WeakPolarHBondContact O-CG 3.38Å; R343-Q347 PolarHBondContact O-N 3.31Å; V344-Q347 PolarHBondContact O-N 2.98Å; S345-Q347 VanDerWaalsContact C-N 3.32Å; S345-Q347 PolarHBondContact O-N 2.69Å; Q347-A350 PolarHBondContact O-N 3.27Å; Q347-M351 WeakPolarHBondContact O-CG 3.43Å; Q347-M351 PolarHBondContact O-N 2.85Å
348	F	92.1	Very high	90.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-53.9	174.3	175.9	-83.6	0	0	0	111.1	P145 Y146 T149 V344 S345 A350 M351 F352 F371 E375	P145-F348 HydrophobicContact CB-CB 4.38Å; Y146-F348 AromaticContact CD1-CD2 3.55Å; Y146-F348 HydrophobicContact CD1-CD2 3.55Å; Y146-F348 AromaticContact CD1-CE2 3.38Å; Y146-F348 HydrophobicContact CD1-CE2 3.38Å; Y146-F348 HydrophobicContact CD1-CZ 4.24Å; Y146-F348 AromaticContact CE1-CD2 3.95Å; Y146-F348 HydrophobicContact CE1-CD2 3.95Å; Y146-F348 AromaticContact CE1-CE2 3.77Å; Y146-F348 HydrophobicContact CE1-CE2 3.77Å; Y146-F348 HydrophobicContact CE1-CZ 4.23Å; Y146-F348 HydrophobicContact CG-CD2 4.47Å; T149-F348 HydrophobicContact CG2-CD2 3.96Å; T149-F348 HydrophobicContact CG2-CE2 3.85Å; T149-F348 HydrophobicContact CG2-CG 4.42Å; T149-F348 HydrophobicContact CG2-CZ 4.31Å; T149-F348 VanDerWaalsContact OG1-CD2 3.31Å; T149-F348 WeakPolarHBondContact OG1-CD2 3.39Å; V344-F348 WeakPolarHBondContact O-CB 3.35Å; V344-F348 PolarHBondContact O-N 2.99Å; S345-F348 WeakPolarHBondContact O-CB 3.44Å; S345-F348 PolarHBondContact O-N 3.33Å; S345-F348 VanDerWaalsContact O-N 3.15Å; F348-A350 VanDerWaalsContact C-N 3.28Å; F348-A350 PolarHBondContact O-N 3.03Å; F348-M351 PolarHBondContact O-N 2.88Å; F348-M351 VanDerWaalsContact O-N 3.08Å; F348-F352 HydrophobicContact CD1-CB 4.28Å; F348-F352 HydrophobicContact CE1-CB 3.98Å; F348-F352 HydrophobicContact CE1-CD1 4.27Å; F348-F352 HydrophobicContact CE1-CG 4.08Å; F348-F352 HydrophobicContact CZ-CB 4.49Å; F348-F352 HydrophobicContact CZ-CG 4.37Å; F348-F352 WeakPolarHBondContact O-CB 3.49Å; F348-F352 PolarHBondContact O-N 3.34Å; F348-F371 AromaticContact CE2-CD1 3.89Å; F348-F371 HydrophobicContact CE2-CD1 3.89Å; F348-F371 HydrophobicContact CZ-CB 4.08Å; F348-F371 AromaticContact CZ-CD1 3.97Å; F348-F371 HydrophobicContact CZ-CD1 3.97Å; F348-E375 HydrophobicContact CD1-CB 4.25Å; F348-E375 HydrophobicContact CD1-CG 4.04Å; F348-E375 HydrophobicContact CE1-CB 3.66Å; F348-E375 HydrophobicContact CE1-CG 3.86Å; F348-E375 HydrophobicContact CZ-CB 4.21Å
349	T	93	Very high	90.7	Very high	29 Å²	29	64 Å²	64	18%	0.178	29%	0.292	C	S	.	.	H	α-helix	trans	-59.8	-39.8	-178.9	-54	0	0	0	0	111.1	S345 M351 F352 R353 E375	S345-T349 PolarHBondContact O-N 2.7Å; S345-T349 PolarHBondContact O-OG1 2.83Å; T349-M351 VanDerWaalsContact C-N 3.31Å; T349-M351 PolarHBondContact O-N 2.72Å; T349-F352 PolarHBondContact O-N 3.19Å; T349-R353 HydrophobicContact CG2-CG 4.23Å; T349-R353 WeakPolarHBondContact O-CB 3.41Å; T349-R353 VanDerWaalsContact O-CG 3.25Å; T349-R353 WeakPolarHBondContact O-CG 3.28Å; T349-R353 PolarHBondContact O-N 3.16Å; T349-E375 PolarHBondContact OG1-OE1 3.32Å
350	A	91.4	Very high	90.6	Very high	54 Å²	54	66.4 Å²	66.4	45%	0.446	30%	0.299	S	S	.	.	H	α-helix	trans	-61.6	-37.6	177.6	0	0	0	0	0	112.8	E346 Q347 F348	E346-A350 WeakPolarHBondContact O-CB 3.47Å; E346-A350 PolarHBondContact O-N 3.17Å; Q347-A350 PolarHBondContact O-N 3.27Å; F348-A350 VanDerWaalsContact C-N 3.28Å; F348-A350 PolarHBondContact O-N 3.03Å
351	M	90.1	Very high	90.7	Very high	30 Å²	30	66.4 Å²	66.4	15%	0.148	30%	0.299	C	S	.	.	H	α-helix	trans	-77.9	-44.5	175.7	-68	-161.9	-65.6	0	0	112.4	V142 P145 Y146 Q347 F348 T349 R353 R354 K355 A356	V142-M351 WeakPolarHBondContact O-CE 3.3Å; P145-M351 HydrophobicContact CB-CE 3.61Å; P145-M351 HydrophobicContact CG-CE 3.61Å; Y146-M351 HydrophobicContact CD2-CE 3.71Å; Y146-M351 HydrophobicContact CD2-SD 4.47Å; Y146-M351 HydrophobicContact CE2-CB 3.86Å; Y146-M351 HydrophobicContact CE2-CE 3.78Å; Y146-M351 HydrophobicContact CE2-SD 4.15Å; Y146-M351 HydrophobicContact CG-CE 4.27Å; Y146-M351 WeakPolarHBondContact OH-CB 3.35Å; Y146-M351 PolarHBondContact OH-O 3.45Å; Q347-M351 WeakPolarHBondContact O-CG 3.43Å; Q347-M351 PolarHBondContact O-N 2.85Å; F348-M351 PolarHBondContact O-N 2.88Å; F348-M351 VanDerWaalsContact O-N 3.08Å; T349-M351 VanDerWaalsContact C-N 3.31Å; T349-M351 PolarHBondContact O-N 2.72Å; M351-R353 PolarHBondContact O-N 3.14Å; M351-R354 CarbonylContact O-C 3.56Å; M351-R354 WeakPolarHBondContact O-CA 3.33Å; M351-R354 PolarHBondContact O-N 3.42Å; M351-K355 PolarHBondContact O-N 3.02Å; M351-K355 VanDerWaalsContact O-N 3.17Å; M351-A356 PolarHBondContact O-N 3.03Å
352	F	92.1	Very high	90.6	Very high	33 Å²	33	69 Å²	69	15%	0.145	32%	0.315	C	S	.	.	H	α-helix	trans	-65.2	-38.4	-175.5	-168.6	-117.1	0	0	0	112.3	Y146 F348 T349 R354 K355 L358 F371	Y146-F352 HydrophobicContact CE1-CB 4.1Å; Y146-F352 HydrophobicContact CE1-CD2 4.04Å; Y146-F352 WeakPolarHBondContact OH-CA 3.48Å; Y146-F352 PolarHBondContact OH-N 3.4Å; F348-F352 HydrophobicContact CD1-CB 4.28Å; F348-F352 HydrophobicContact CE1-CB 3.98Å; F348-F352 HydrophobicContact CE1-CD1 4.27Å; F348-F352 HydrophobicContact CE1-CG 4.08Å; F348-F352 HydrophobicContact CZ-CB 4.49Å; F348-F352 HydrophobicContact CZ-CG 4.37Å; F348-F352 WeakPolarHBondContact O-CB 3.49Å; F348-F352 PolarHBondContact O-N 3.34Å; T349-F352 PolarHBondContact O-N 3.19Å; F352-R354 PolarHBondContact O-N 2.64Å; F352-R354 VanDerWaalsContact O-N 3.13Å; F352-K355 PolarHBondContact O-N 3.39Å; F352-L358 HydrophobicContact CD2-CD1 4.5Å; F352-L358 HydrophobicContact CE2-CD1 4.16Å; F352-L358 HydrophobicContact CE2-CD2 4.32Å; F352-F371 HydrophobicContact CD2-CB 4.37Å; F352-F371 HydrophobicContact CE2-CB 3.7Å; F352-F371 HydrophobicContact CE2-CG 4.1Å; F352-F371 HydrophobicContact CZ-CB 3.95Å
353	R	91.9	Very high	90.5	Very high	208 Å²	208	68 Å²	68	79%	0.785	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-29.2	171.6	-76.7	179.1	-175.8	176.1	7	113.6	T349 M351	T349-R353 HydrophobicContact CG2-CG 4.23Å; T349-R353 WeakPolarHBondContact O-CB 3.41Å; T349-R353 VanDerWaalsContact O-CG 3.25Å; T349-R353 WeakPolarHBondContact O-CG 3.28Å; T349-R353 PolarHBondContact O-N 3.16Å; M351-R353 PolarHBondContact O-N 3.14Å
354	R	92.4	Very high	90.4	Very high	213 Å²	213	68.1 Å²	68.1	80%	0.804	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-2.7	178.3	-62.5	179.3	-177.3	176.3	3.1	112.8	M351 F352 A356	M351-R354 CarbonylContact O-C 3.56Å; M351-R354 WeakPolarHBondContact O-CA 3.33Å; M351-R354 PolarHBondContact O-N 3.42Å; F352-R354 PolarHBondContact O-N 2.64Å; F352-R354 VanDerWaalsContact O-N 3.13Å; R354-A356 PolarHBondContact O-N 3.4Å; R354-A356 VanDerWaalsContact O-N 3.13Å
355	K	89.9	Confident	90.2	Very high	115 Å²	115	71 Å²	71	50%	0.5	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	34.3	-171.1	-60.9	-166.7	164.8	-147.1	0	112.9	M351 F352 L358 E368	M351-K355 PolarHBondContact O-N 3.02Å; M351-K355 VanDerWaalsContact O-N 3.17Å; F352-K355 PolarHBondContact O-N 3.39Å; K355-L358 HydrophobicContact CB-CD2 4.13Å; K355-L358 HydrophobicContact CD-CD2 4.22Å; K355-L358 HydrophobicContact CG-CD2 4.13Å; K355-E368 IonicContact NZ-OE1 2.91Å; K355-E368 PolarHBondContact NZ-OE1 3.39Å; K355-E368 IonicContact NZ-OE2 2.71Å; K355-E368 PolarHBondContact NZ-OE2 2.91Å
356	A	88.5	Confident	90.2	Very high	31 Å²	31	70.8 Å²	70.8	26%	0.256	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	135.9	-178.8	0	0	0	0	0	109.9	Y146 M351 R354 L358	Y146-A356 WeakPolarHBondContact CE2-O 3.42Å; Y146-A356 PolarHBondContact OH-O 2.96Å; M351-A356 PolarHBondContact O-N 3.03Å; R354-A356 PolarHBondContact O-N 3.4Å; R354-A356 VanDerWaalsContact O-N 3.13Å; A356-L358 PolarHBondContact O-N 3.47Å
357	F	89.4	Confident	90.2	Very high	78 Å²	78	68.6 Å²	68.6	34%	0.342	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	2.7	179	-53.9	-78.6	0	0	0	116.7	V142 V143 H359 W360	V142-F357 HydrophobicContact CB-CE2 4.38Å; V142-F357 HydrophobicContact CG2-CD2 4.12Å; V142-F357 HydrophobicContact CG2-CE1 4.26Å; V142-F357 HydrophobicContact CG2-CE2 3.54Å; V142-F357 HydrophobicContact CG2-CZ 3.63Å; V143-F357 HydrophobicContact CG1-CB 3.68Å; V143-F357 HydrophobicContact CG1-CD1 4.3Å; V143-F357 HydrophobicContact CG1-CD2 4.07Å; V143-F357 HydrophobicContact CG1-CG 3.75Å; F357-H359 VanDerWaalsContact C-N 3.28Å; F357-H359 PolarHBondContact O-N 3.25Å; F357-W360 WeakPolarHBondContact O-CB 3.46Å; F357-W360 PolarHBondContact O-N 3.15Å; F357-W360 VanDerWaalsContact O-N 3.08Å
358	L	89.5	Confident	90.2	Very high	5 Å²	5	68.9 Å²	68.9	3%	0.026	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-36.4	-177.1	-170.2	61.3	0	0	0	113.2	F352 K355 A356 W360 Y361 T362 E368 F371	F352-L358 HydrophobicContact CD2-CD1 4.5Å; F352-L358 HydrophobicContact CE2-CD1 4.16Å; F352-L358 HydrophobicContact CE2-CD2 4.32Å; K355-L358 HydrophobicContact CB-CD2 4.13Å; K355-L358 HydrophobicContact CD-CD2 4.22Å; K355-L358 HydrophobicContact CG-CD2 4.13Å; A356-L358 PolarHBondContact O-N 3.47Å; L358-W360 PolarHBondContact O-N 3.38Å; L358-W360 VanDerWaalsContact O-N 3.08Å; L358-Y361 PolarHBondContact O-N 3Å; L358-T362 HydrophobicContact CG-CG2 4.2Å; L358-T362 PolarHBondContact O-N 2.91Å; L358-T362 VanDerWaalsContact O-N 3.08Å; L358-T362 PolarHBondContact O-OG1 3.04Å; L358-E368 HydrophobicContact CD2-CG 3.91Å; L358-E368 WeakPolarHBondContact CD2-OE1 3.16Å; L358-F371 HydrophobicContact CD1-CD2 3.88Å; L358-F371 HydrophobicContact CD1-CE1 4.38Å; L358-F371 HydrophobicContact CD1-CE2 3.64Å; L358-F371 HydrophobicContact CD1-CG 4.34Å; L358-F371 HydrophobicContact CD1-CZ 3.92Å
359	H	88.8	Confident	90.1	Very high	123 Å²	123	74.5 Å²	74.5	57%	0.569	38%	0.381	S	S	*	.	H	α-helix	trans	-58.7	-20	177.2	68.7	-70	0	0	0	114.6	F357 Y361 T362 G363	F357-H359 VanDerWaalsContact C-N 3.28Å; F357-H359 PolarHBondContact O-N 3.25Å; H359-Y361 VanDerWaalsContact C-N 3.35Å; H359-T362 WeakPolarHBondContact CA-OG1 3.4Å; H359-G363 PolarHBondContact O-N 2.82Å; H359-G363 VanDerWaalsContact O-N 3.12Å
360	W	88.1	Confident	90	Very high	118 Å²	118	75.5 Å²	75.5	45%	0.447	38%	0.384	S	S	.	.	H	α-helix	trans	-74.2	-30.4	175.3	-70.1	16.8	0	0	0	111.5	N63 F357 L358 E364	N63-W360 PolarHBondContact ND2-O 2.96Å; F357-W360 WeakPolarHBondContact O-CB 3.46Å; F357-W360 PolarHBondContact O-N 3.15Å; F357-W360 VanDerWaalsContact O-N 3.08Å; L358-W360 PolarHBondContact O-N 3.38Å; L358-W360 VanDerWaalsContact O-N 3.08Å; W360-E364 WeakPolarHBondContact O-CG 3.49Å
361	Y	91.4	Very high	90.1	Very high	1 Å²	1	72.9 Å²	72.9	0%	0.004	36%	0.362	C	S	.	.	H	α-helix	trans	-87.4	-45.7	-179.5	-62.1	-98.4	0	0	0	110.6	N63 W64 A65 Y146 N147 L150 L358 H359 G363 E364 M366 F371	N63-Y361 VanDerWaalsContact OD1-CD1 3.29Å; N63-Y361 WeakPolarHBondContact OD1-CD1 3.26Å; N63-Y361 WeakPolarHBondContact OD1-CE1 3.39Å; W64-Y361 HydrophobicContact CB-CE1 4.04Å; A65-Y361 HydrophobicContact CB-CD1 3.94Å; A65-Y361 HydrophobicContact CB-CG 4.49Å; Y146-Y361 HydrophobicContact CD2-CE2 4.26Å; Y146-Y361 HydrophobicContact CG-CE2 4.47Å; N147-Y361 WeakPolarHBondContact OD1-CE1 3.09Å; N147-Y361 PolarHBondContact OD1-OH 3.32Å; L150-Y361 HydrophobicContact CD1-CD1 4.42Å; L150-Y361 HydrophobicContact CD1-CE1 4.41Å; L358-Y361 PolarHBondContact O-N 3Å; H359-Y361 VanDerWaalsContact C-N 3.35Å; Y361-G363 PolarHBondContact O-N 3.29Å; Y361-E364 PolarHBondContact O-N 3.41Å; Y361-M366 HydrophobicContact CD1-SD 4.27Å; Y361-M366 WeakPolarHBondContact O-CB 3.06Å; Y361-M366 PolarHBondContact O-N 3.45Å; Y361-F371 HydrophobicContact CD1-CE1 4.44Å; Y361-F371 AromaticContact CD1-CZ 3.78Å; Y361-F371 HydrophobicContact CD1-CZ 3.78Å; Y361-F371 HydrophobicContact CD2-CZ 4.08Å; Y361-F371 HydrophobicContact CG-CE1 4.41Å; Y361-F371 HydrophobicContact CG-CE2 4.4Å; Y361-F371 AromaticContact CG-CZ 3.55Å; Y361-F371 HydrophobicContact CG-CZ 3.55Å
362	T	90.3	Very high	90.2	Very high	57 Å²	57	74.9 Å²	74.9	35%	0.35	38%	0.376	S	S	.	.	H	α-helix	trans	-67.2	-26.9	177.5	61.4	0	0	0	0	112.8	L358 H359 E364 G365 M366 E368	L358-T362 HydrophobicContact CG-CG2 4.2Å; L358-T362 PolarHBondContact O-N 2.91Å; L358-T362 VanDerWaalsContact O-N 3.08Å; L358-T362 PolarHBondContact O-OG1 3.04Å; H359-T362 WeakPolarHBondContact CA-OG1 3.4Å; T362-E364 PolarHBondContact O-N 2.98Å; T362-G365 PolarHBondContact O-N 2.9Å; T362-M366 WeakPolarHBondContact CA-O 3.15Å; T362-E368 HydrophobicContact CG2-CG 4.13Å
363	G	88.9	Confident	90.3	Very high	61 Å²	61	77.8 Å²	77.8	63%	0.629	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.8	172.1	0	0	0	0	0	114.3	H359 Y361	H359-G363 PolarHBondContact O-N 2.82Å; H359-G363 VanDerWaalsContact O-N 3.12Å; Y361-G363 PolarHBondContact O-N 3.29Å
364	E	88.6	Confident	90.3	Very high	52 Å²	52	67.9 Å²	67.9	24%	0.243	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	5.2	178.4	-58.1	-66.1	145.6	0	0	112.5	A65 K66 T70 W360 Y361 T362	A65-E364 HydrophobicContact CB-CB 3.87Å; A65-E364 HydrophobicContact CB-CG 4.35Å; K66-E364 VanDerWaalsContact CE-CD 3.44Å; K66-E364 WeakPolarHBondContact CE-OE1 3.4Å; K66-E364 HydrophobicContact CG-CG 3.62Å; K66-E364 WeakPolarHBondContact CG-OE2 3.29Å; K66-E364 IonicContact NZ-OE1 3.83Å; T70-E364 HydrophobicContact CG2-CB 4.43Å; T70-E364 VanDerWaalsContact CG2-OE2 3.28Å; T70-E364 WeakPolarHBondContact CG2-OE2 3.48Å; T70-E364 PolarHBondContact OG1-OE2 2.87Å; W360-E364 WeakPolarHBondContact O-CG 3.49Å; Y361-E364 PolarHBondContact O-N 3.41Å; T362-E364 PolarHBondContact O-N 2.98Å
365	G	85.7	Confident	90.3	Very high	66 Å²	66	59.2 Å²	59.2	68%	0.68	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.8	5.7	176	0	0	0	0	0	115.6	T362	T362-G365 PolarHBondContact O-N 2.9Å
366	M	91.3	Very high	90.5	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.025	32%	0.318	C	S	.	.			trans	-80	138.2	177.2	-170.4	179.6	174.9	0	0	111.9	W64 A65 Y69 L150 Y361 T362 E370 F371	W64-M366 HydrophobicContact CE3-SD 4.12Å; W64-M366 HydrophobicContact CZ3-CE 4.22Å; W64-M366 HydrophobicContact CZ3-SD 4.06Å; A65-M366 HydrophobicContact CB-CB 4.21Å; A65-M366 HydrophobicContact CB-SD 4.18Å; Y69-M366 HydrophobicContact CD2-CB 4.36Å; Y69-M366 HydrophobicContact CE2-CB 4.02Å; Y69-M366 HydrophobicContact CE2-CG 4.02Å; L150-M366 HydrophobicContact CD1-CE 3.59Å; L150-M366 HydrophobicContact CD1-SD 4.01Å; L150-M366 HydrophobicContact CD2-CE 3.38Å; L150-M366 HydrophobicContact CG-CE 4.11Å; Y361-M366 HydrophobicContact CD1-SD 4.27Å; Y361-M366 WeakPolarHBondContact O-CB 3.06Å; Y361-M366 PolarHBondContact O-N 3.45Å; T362-M366 WeakPolarHBondContact CA-O 3.15Å; M366-E370 HydrophobicContact CE-CB 3.56Å; M366-E370 HydrophobicContact CG-CB 4.4Å; M366-E370 WeakPolarHBondContact CG-OE2 3.34Å; M366-F371 HydrophobicContact CE-CD1 4.5Å; M366-F371 HydrophobicContact CE-CD2 3.71Å; M366-F371 HydrophobicContact CE-CE1 4.27Å; M366-F371 HydrophobicContact CE-CE2 3.44Å; M366-F371 VanDerWaalsContact CE-CE2 3.44Å; M366-F371 HydrophobicContact CE-CG 4.24Å; M366-F371 HydrophobicContact CE-CZ 3.74Å; M366-F371 HydrophobicContact CG-CE2 4.13Å; M366-F371 HydrophobicContact SD-CD2 4.32Å; M366-F371 HydrophobicContact SD-CE2 3.48Å; M366-F371 WeakPolarHBondContact SD-CE2 3.44Å; M366-F371 HydrophobicContact SD-CZ 3.64Å
367	D	91.3	Very high	90.8	Very high	96 Å²	96	55.9 Å²	55.9	51%	0.513	31%	0.309	S	S	.	.			trans	-83.9	150	176.3	-160.1	-8.9	0	0	0	112.1	M369 E370	D367-M369 HydrophobicContact CB-CB 4.48Å; D367-M369 PolarHBondContact O-N 3.06Å; D367-E370 PolarHBondContact N-OE1 3.03Å; D367-E370 PolarHBondContact O-N 3.24Å
368	E	89.1	Confident	90.9	Very high	72 Å²	72	52.1 Å²	52.1	34%	0.336	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-25	170.6	-63.2	-166.5	165.7	0	0	111.7	K355 L358 T362 F371 T372	K355-E368 IonicContact NZ-OE1 2.91Å; K355-E368 PolarHBondContact NZ-OE1 3.39Å; K355-E368 IonicContact NZ-OE2 2.71Å; K355-E368 PolarHBondContact NZ-OE2 2.91Å; L358-E368 HydrophobicContact CD2-CG 3.91Å; L358-E368 WeakPolarHBondContact CD2-OE1 3.16Å; T362-E368 HydrophobicContact CG2-CG 4.13Å; E368-F371 WeakPolarHBondContact O-CB 3.44Å; E368-F371 PolarHBondContact O-N 3.28Å; E368-T372 PolarHBondContact O-OG1 3.09Å
369	M	91.1	Very high	91	Very high	117 Å²	117	54.9 Å²	54.9	58%	0.576	31%	0.308	S	S	*	.	H	α-helix	trans	-64.5	-39	177.8	-168	161.2	-175.9	0	0	112.3	D367 F371 T372 E373	D367-M369 HydrophobicContact CB-CB 4.48Å; D367-M369 PolarHBondContact O-N 3.06Å; M369-F371 PolarHBondContact O-N 2.89Å; M369-T372 WeakPolarHBondContact O-CB 3.35Å; M369-T372 PolarHBondContact O-N 2.92Å; M369-E373 HydrophobicContact CG-CG 4.48Å; M369-E373 WeakPolarHBondContact O-CG 3.48Å; M369-E373 PolarHBondContact O-N 2.96Å
370	E	91.2	Very high	91.3	Very high	50 Å²	50	52.6 Å²	52.6	23%	0.234	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-34.6	177.9	-68.5	174.8	-131.3	0	0	112.2	Y69 M366 D367 T372 A374	Y69-E370 VanDerWaalsContact OH-CD 3.25Å; Y69-E370 PolarHBondContact OH-OE1 3.46Å; Y69-E370 PolarHBondContact OH-OE2 2.99Å; M366-E370 HydrophobicContact CE-CB 3.56Å; M366-E370 HydrophobicContact CG-CB 4.4Å; M366-E370 WeakPolarHBondContact CG-OE2 3.34Å; D367-E370 PolarHBondContact N-OE1 3.03Å; D367-E370 PolarHBondContact O-N 3.24Å; E370-T372 VanDerWaalsContact C-N 3.33Å; E370-A374 WeakPolarHBondContact O-CB 3.35Å; E370-A374 PolarHBondContact O-N 3.31Å
371	F	92.3	Very high	91.5	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-40.7	173.9	-75.7	-86.2	0	0	0	112.2	Y146 L150 F348 F352 L358 Y361 M366 E368 M369 E375	Y146-F371 AromaticContact CD1-CD1 3.79Å; Y146-F371 HydrophobicContact CD1-CD1 3.79Å; Y146-F371 AromaticContact CD1-CE1 3.59Å; Y146-F371 HydrophobicContact CD1-CE1 3.59Å; Y146-F371 HydrophobicContact CE1-CD1 4.14Å; Y146-F371 HydrophobicContact CE1-CE1 4.17Å; Y146-F371 HydrophobicContact CG-CE1 4.16Å; L150-F371 HydrophobicContact CD1-CD1 4.44Å; L150-F371 HydrophobicContact CD1-CE1 3.81Å; L150-F371 HydrophobicContact CD1-CZ 4.11Å; L150-F371 HydrophobicContact CD2-CD1 4.27Å; L150-F371 HydrophobicContact CD2-CE1 4.44Å; L150-F371 HydrophobicContact CG-CE1 4.37Å; F348-F371 AromaticContact CE2-CD1 3.89Å; F348-F371 HydrophobicContact CE2-CD1 3.89Å; F348-F371 HydrophobicContact CZ-CB 4.08Å; F348-F371 AromaticContact CZ-CD1 3.97Å; F348-F371 HydrophobicContact CZ-CD1 3.97Å; F352-F371 HydrophobicContact CD2-CB 4.37Å; F352-F371 HydrophobicContact CE2-CB 3.7Å; F352-F371 HydrophobicContact CE2-CG 4.1Å; F352-F371 HydrophobicContact CZ-CB 3.95Å; L358-F371 HydrophobicContact CD1-CD2 3.88Å; L358-F371 HydrophobicContact CD1-CE1 4.38Å; L358-F371 HydrophobicContact CD1-CE2 3.64Å; L358-F371 HydrophobicContact CD1-CG 4.34Å; L358-F371 HydrophobicContact CD1-CZ 3.92Å; Y361-F371 HydrophobicContact CD1-CE1 4.44Å; Y361-F371 AromaticContact CD1-CZ 3.78Å; Y361-F371 HydrophobicContact CD1-CZ 3.78Å; Y361-F371 HydrophobicContact CD2-CZ 4.08Å; Y361-F371 HydrophobicContact CG-CE1 4.41Å; Y361-F371 HydrophobicContact CG-CE2 4.4Å; Y361-F371 AromaticContact CG-CZ 3.55Å; Y361-F371 HydrophobicContact CG-CZ 3.55Å; M366-F371 HydrophobicContact CE-CD1 4.5Å; M366-F371 HydrophobicContact CE-CD2 3.71Å; M366-F371 HydrophobicContact CE-CE1 4.27Å; M366-F371 HydrophobicContact CE-CE2 3.44Å; M366-F371 VanDerWaalsContact CE-CE2 3.44Å; M366-F371 HydrophobicContact CE-CG 4.24Å; M366-F371 HydrophobicContact CE-CZ 3.74Å; M366-F371 HydrophobicContact CG-CE2 4.13Å; M366-F371 HydrophobicContact SD-CD2 4.32Å; M366-F371 HydrophobicContact SD-CE2 3.48Å; M366-F371 WeakPolarHBondContact SD-CE2 3.44Å; M366-F371 HydrophobicContact SD-CZ 3.64Å; E368-F371 WeakPolarHBondContact O-CB 3.44Å; E368-F371 PolarHBondContact O-N 3.28Å; M369-F371 PolarHBondContact O-N 2.89Å; F371-E375 WeakPolarHBondContact O-CB 3.49Å; F371-E375 PolarHBondContact O-N 2.51Å
372	T	92.7	Very high	91.5	Very high	71 Å²	71	47.5 Å²	47.5	44%	0.436	28%	0.282	S	S	.	.	H	α-helix	trans	-72.2	-38.3	-178.6	-50.8	0	0	0	0	110.6	E368 M369 E370 E375 S376	E368-T372 PolarHBondContact O-OG1 3.09Å; M369-T372 WeakPolarHBondContact O-CB 3.35Å; M369-T372 PolarHBondContact O-N 2.92Å; E370-T372 VanDerWaalsContact C-N 3.33Å; T372-E375 PolarHBondContact O-N 2.89Å; T372-S376 WeakPolarHBondContact O-CB 3.42Å; T372-S376 PolarHBondContact O-N 3.05Å
373	E	93.4	Very high	91.6	Very high	95 Å²	95	48 Å²	48	44%	0.444	29%	0.288	S	S	.	.	H	α-helix	trans	-63.8	-44.8	174.4	-70.7	176.2	-179.8	0	0	111.8	M369 S376 N377	M369-E373 HydrophobicContact CG-CG 4.48Å; M369-E373 WeakPolarHBondContact O-CG 3.48Å; M369-E373 PolarHBondContact O-N 2.96Å; E373-S376 PolarHBondContact O-N 3.19Å; E373-N377 WeakPolarHBondContact O-CB 3.38Å; E373-N377 PolarHBondContact O-N 2.88Å
374	A	92.9	Very high	91.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-40.4	176.4	0	0	0	0	0	112.4	T149 L150 H153 E370 M378	T149-A374 HydrophobicContact CG2-CB 3.97Å; L150-A374 HydrophobicContact CD2-CB 3.75Å; H153-A374 HydrophobicContact CB-CB 3.78Å; E370-A374 WeakPolarHBondContact O-CB 3.35Å; E370-A374 PolarHBondContact O-N 3.31Å; A374-M378 WeakPolarHBondContact O-CB 3.46Å; A374-M378 PolarHBondContact O-N 3.13Å; A374-M378 VanDerWaalsContact O-N 3.09Å
375	E	93	Very high	91.8	Very high	31 Å²	31	44.8 Å²	44.8	15%	0.145	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-44.5	173.7	-174.8	177.6	-146.1	0	0	111.4	F348 T349 F371 T372 M378 N379	F348-E375 HydrophobicContact CD1-CB 4.25Å; F348-E375 HydrophobicContact CD1-CG 4.04Å; F348-E375 HydrophobicContact CE1-CB 3.66Å; F348-E375 HydrophobicContact CE1-CG 3.86Å; F348-E375 HydrophobicContact CZ-CB 4.21Å; T349-E375 PolarHBondContact OG1-OE1 3.32Å; F371-E375 WeakPolarHBondContact O-CB 3.49Å; F371-E375 PolarHBondContact O-N 2.51Å; T372-E375 PolarHBondContact O-N 2.89Å; E375-M378 PolarHBondContact O-N 3.33Å; E375-N379 VanDerWaalsContact O-CG 3.25Å; E375-N379 PolarHBondContact O-N 3.06Å; E375-N379 PolarHBondContact O-ND2 3.33Å; E375-N379 VanDerWaalsContact O-ND2 3.09Å
376	S	93.6	Very high	91.9	Very high	59 Å²	59	44.3 Å²	44.3	41%	0.413	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-51.4	177.1	-165.8	0	0	0	0	111.2	T372 E373 M378 N379 D380	T372-S376 WeakPolarHBondContact O-CB 3.42Å; T372-S376 PolarHBondContact O-N 3.05Å; E373-S376 PolarHBondContact O-N 3.19Å; S376-M378 VanDerWaalsContact C-N 3.27Å; S376-M378 PolarHBondContact O-N 3.2Å; S376-N379 CarbonylContact O-C 3.6Å; S376-N379 PolarHBondContact O-N 3.24Å; S376-D380 PolarHBondContact O-N 3.1Å
377	N	93.6	Very high	91.8	Very high	16 Å²	16	49.2 Å²	49.2	9%	0.086	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-36.4	-177.6	-164.1	21.6	0	0	0	112	H153 R225 E373 D380 L381	H153-N377 WeakPolarHBondContact ND1-CB 3.4Å; H153-N377 PolarHBondContact ND1-ND2 3.11Å; R225-N377 PolarHBondContact NH1-OD1 3.23Å; R225-N377 PolarHBondContact NH2-OD1 3.11Å; E373-N377 WeakPolarHBondContact O-CB 3.38Å; E373-N377 PolarHBondContact O-N 2.88Å; N377-D380 PolarHBondContact O-N 2.66Å; N377-L381 PolarHBondContact O-N 3.33Å
378	M	91.6	Very high	91.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.8	-37.1	175.1	-173.3	174.6	57.7	0	0	112.2	T149 F341 V344 A374 E375 S376 L381 V382	T149-M378 HydrophobicContact CG2-CE 3.75Å; T149-M378 HydrophobicContact CG2-SD 4.37Å; T149-M378 WeakPolarHBondContact OG1-CE 3.45Å; F341-M378 HydrophobicContact CB-CG 4.38Å; F341-M378 HydrophobicContact CD1-CG 4.44Å; F341-M378 HydrophobicContact CD1-SD 4.43Å; V344-M378 HydrophobicContact CG1-SD 4.33Å; A374-M378 WeakPolarHBondContact O-CB 3.46Å; A374-M378 PolarHBondContact O-N 3.13Å; A374-M378 VanDerWaalsContact O-N 3.09Å; E375-M378 PolarHBondContact O-N 3.33Å; S376-M378 VanDerWaalsContact C-N 3.27Å; S376-M378 PolarHBondContact O-N 3.2Å; M378-L381 PolarHBondContact O-N 2.99Å; M378-V382 WeakPolarHBondContact O-CG2 2.85Å; M378-V382 PolarHBondContact O-N 2.86Å; M378-V382 VanDerWaalsContact O-N 3.08Å
379	N	92.9	Very high	91.3	Very high	62 Å²	62	45 Å²	45	33%	0.332	24%	0.235	S	C	.	.	H	α-helix	trans	-70.8	-34.3	175.3	-69.1	-33.1	0	0	0	112.2	S345 E375 S376 V382 S383	S345-N379 PolarHBondContact OG-OD1 3.28Å; S345-N379 VanDerWaalsContact OG-OD1 3.04Å; E375-N379 VanDerWaalsContact O-CG 3.25Å; E375-N379 PolarHBondContact O-N 3.06Å; E375-N379 PolarHBondContact O-ND2 3.33Å; E375-N379 VanDerWaalsContact O-ND2 3.09Å; S376-N379 CarbonylContact O-C 3.6Å; S376-N379 PolarHBondContact O-N 3.24Å; N379-V382 PolarHBondContact O-N 3.37Å; N379-S383 WeakPolarHBondContact O-CB 3.42Å; N379-S383 PolarHBondContact O-N 3.31Å; N379-S383 PolarHBondContact O-OG 3.34Å
380	D	93.6	Very high	90.9	Very high	76 Å²	76	44 Å²	44	41%	0.406	23%	0.232	S	C	.	.	H	α-helix	trans	-63.6	-46.3	173.2	-63.2	-27.9	0	0	0	110	S376 N377 V382 S383 E384	S376-D380 PolarHBondContact O-N 3.1Å; N377-D380 PolarHBondContact O-N 2.66Å; D380-V382 VanDerWaalsContact C-N 3.34Å; D380-V382 PolarHBondContact O-N 2.9Å; D380-S383 CarbonylContact O-C 3.59Å; D380-S383 WeakPolarHBondContact O-CA 3.42Å; D380-S383 WeakPolarHBondContact O-CB 3.44Å; D380-S383 PolarHBondContact O-N 3.35Å; D380-E384 WeakPolarHBondContact O-CG 3.49Å; D380-E384 PolarHBondContact O-N 2.97Å
381	L	92.1	Very high	89.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.8	-44.8	173.8	179.5	71.1	0	0	0	112.4	I156 R225 L226 F228 F341 N377 M378 S383 E384 Y385	I156-L381 HydrophobicContact CD1-CB 4.19Å; I156-L381 HydrophobicContact CD1-CD2 3.86Å; I156-L381 HydrophobicContact CD1-CG 4.47Å; I156-L381 HydrophobicContact CG1-CD2 4.1Å; R225-L381 WeakPolarHBondContact O-CD1 3.49Å; L226-L381 HydrophobicContact CD2-CD1 3.89Å; F228-L381 HydrophobicContact CD2-CD1 4.49Å; F228-L381 HydrophobicContact CD2-CD2 3.99Å; F228-L381 HydrophobicContact CE2-CD1 4.17Å; F228-L381 HydrophobicContact CE2-CD2 3.48Å; F228-L381 VanDerWaalsContact CE2-CD2 3.48Å; F228-L381 HydrophobicContact CE2-CG 4.47Å; F228-L381 HydrophobicContact CZ-CD2 4.21Å; F341-L381 HydrophobicContact CD2-CD2 4.22Å; F341-L381 HydrophobicContact CE1-CD2 4.34Å; F341-L381 HydrophobicContact CE2-CD2 3.93Å; F341-L381 HydrophobicContact CZ-CD2 3.99Å; N377-L381 PolarHBondContact O-N 3.33Å; M378-L381 PolarHBondContact O-N 2.99Å; L381-S383 VanDerWaalsContact C-N 3.25Å; L381-S383 PolarHBondContact O-N 3.25Å; L381-E384 PolarHBondContact O-N 3.27Å; L381-Y385 HydrophobicContact CD1-CD2 4.18Å; L381-Y385 HydrophobicContact CD1-CE2 3.78Å; L381-Y385 HydrophobicContact CD2-CE2 4.32Å; L381-Y385 HydrophobicContact CG-CD2 4.04Å; L381-Y385 HydrophobicContact CG-CE2 3.89Å; L381-Y385 VanDerWaalsContact O-CD2 3.3Å; L381-Y385 WeakPolarHBondContact O-CD2 3.13Å; L381-Y385 PolarHBondContact O-N 3.38Å
382	V	92.2	Very high	88.4	Confident	11 Å²	11	44.8 Å²	44.8	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-38.3	176	166.2	0	0	0	0	111.2	Q338 F341 K342 M378 N379 D380 Y385 Q386	Q338-V382 HydrophobicContact CB-CG1 4.4Å; F341-V382 HydrophobicContact CB-CG2 3.55Å; K342-V382 HydrophobicContact CD-CG1 4.25Å; K342-V382 VanDerWaalsContact CE-CG1 3.41Å; K342-V382 HydrophobicContact CG-CG1 3.89Å; K342-V382 HydrophobicContact CG-CG2 4.43Å; M378-V382 WeakPolarHBondContact O-CG2 2.85Å; M378-V382 PolarHBondContact O-N 2.86Å; M378-V382 VanDerWaalsContact O-N 3.08Å; N379-V382 PolarHBondContact O-N 3.37Å; D380-V382 VanDerWaalsContact C-N 3.34Å; D380-V382 PolarHBondContact O-N 2.9Å; V382-Y385 PolarHBondContact O-N 3.3Å; V382-Q386 PolarHBondContact O-N 3.05Å
383	S	91.7	Very high	86.6	Confident	69 Å²	69	43.6 Å²	43.6	48%	0.483	24%	0.238	S	C	.	.	H	α-helix	trans	-70.1	-39.6	179.1	-56.6	0	0	0	0	111.5	N379 D380 L381 Q386 Q387	N379-S383 WeakPolarHBondContact O-CB 3.42Å; N379-S383 PolarHBondContact O-N 3.31Å; N379-S383 PolarHBondContact O-OG 3.34Å; D380-S383 CarbonylContact O-C 3.59Å; D380-S383 WeakPolarHBondContact O-CA 3.42Å; D380-S383 WeakPolarHBondContact O-CB 3.44Å; D380-S383 PolarHBondContact O-N 3.35Å; L381-S383 VanDerWaalsContact C-N 3.25Å; L381-S383 PolarHBondContact O-N 3.25Å; S383-Q386 WeakPolarHBondContact O-CB 3.45Å; S383-Q386 PolarHBondContact O-N 3.12Å; S383-Q386 VanDerWaalsContact O-N 3.17Å; S383-Q387 PolarHBondContact O-N 2.95Å
384	E	90.8	Very high	84.5	Confident	44 Å²	44	46.7 Å²	46.7	21%	0.206	25%	0.253	C	S	.	.	H	α-helix	trans	-58.4	-48.6	172.4	-71.3	170.7	-151.8	0	0	110.8	R225 L226 D380 L381 Q386 Q387 Y388	R225-E384 WeakPolarHBondContact CB-OE2 3.41Å; R225-E384 IonicContact CZ-OE1 3.78Å; R225-E384 IonicContact NE-OE1 3.62Å; R225-E384 PolarHBondContact NE-OE1 3.31Å; R225-E384 IonicContact NE-OE2 2.76Å; R225-E384 PolarHBondContact NE-OE2 2.67Å; R225-E384 IonicContact NH2-OE1 2.76Å; R225-E384 PolarHBondContact NH2-OE1 3.02Å; L226-E384 HydrophobicContact CD2-CB 4.17Å; D380-E384 WeakPolarHBondContact O-CG 3.49Å; D380-E384 PolarHBondContact O-N 2.97Å; L381-E384 PolarHBondContact O-N 3.27Å; E384-Q386 VanDerWaalsContact C-N 3.26Å; E384-Q386 PolarHBondContact O-N 3.43Å; E384-Q387 PolarHBondContact O-N 2.82Å; E384-Y388 WeakPolarHBondContact O-CD2 3.36Å; E384-Y388 PolarHBondContact O-N 3.15Å; E384-Y388 VanDerWaalsContact O-N 3.11Å
385	Y	91.1	Very high	82.3	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-35.9	175.7	-84.4	-64.6	0	0	0	113.1	L226 F228 T335 I337 F341 L381 V382 Q389	L226-Y385 HydrophobicContact CB-CE1 4.09Å; L226-Y385 HydrophobicContact CD1-CD1 4.4Å; L226-Y385 HydrophobicContact CD1-CE1 4.33Å; L226-Y385 HydrophobicContact CD2-CD1 3.97Å; L226-Y385 HydrophobicContact CD2-CD2 3.89Å; L226-Y385 HydrophobicContact CD2-CE1 3.78Å; L226-Y385 HydrophobicContact CD2-CE2 3.67Å; L226-Y385 HydrophobicContact CD2-CG 4.04Å; L226-Y385 HydrophobicContact CG-CE1 4.28Å; F228-Y385 HydrophobicContact CD2-CE2 4.38Å; T335-Y385 HydrophobicContact CG2-CD1 4.33Å; I337-Y385 HydrophobicContact CG2-CD1 4.11Å; I337-Y385 HydrophobicContact CG2-CD2 4.08Å; I337-Y385 HydrophobicContact CG2-CE1 3.7Å; I337-Y385 HydrophobicContact CG2-CE2 3.68Å; I337-Y385 HydrophobicContact CG2-CG 4.29Å; I337-Y385 VanDerWaalsContact CG2-CZ 3.48Å; F341-Y385 HydrophobicContact CE2-CE2 4.32Å; L381-Y385 HydrophobicContact CD1-CD2 4.18Å; L381-Y385 HydrophobicContact CD1-CE2 3.78Å; L381-Y385 HydrophobicContact CD2-CE2 4.32Å; L381-Y385 HydrophobicContact CG-CD2 4.04Å; L381-Y385 HydrophobicContact CG-CE2 3.89Å; L381-Y385 VanDerWaalsContact O-CD2 3.3Å; L381-Y385 WeakPolarHBondContact O-CD2 3.13Å; L381-Y385 PolarHBondContact O-N 3.38Å; V382-Y385 PolarHBondContact O-N 3.3Å; Y385-Q389 VanDerWaalsContact O-CB 3.31Å; Y385-Q389 WeakPolarHBondContact O-CB 3.45Å; Y385-Q389 PolarHBondContact O-N 2.96Å; Y385-Q389 VanDerWaalsContact O-N 3.13Å
386	Q	89.3	Confident	80.1	Confident	56 Å²	56	53 Å²	53	26%	0.262	28%	0.283	S	S	.	.	H	α-helix	trans	-69.8	-41.3	176.6	-173.3	62.8	51.9	0	0	111.6	Q338 V382 S383 E384 Q389 D390	Q338-Q386 VanDerWaalsContact OE1-OE1 3.11Å; V382-Q386 PolarHBondContact O-N 3.05Å; S383-Q386 WeakPolarHBondContact O-CB 3.45Å; S383-Q386 PolarHBondContact O-N 3.12Å; S383-Q386 VanDerWaalsContact O-N 3.17Å; E384-Q386 VanDerWaalsContact C-N 3.26Å; E384-Q386 PolarHBondContact O-N 3.43Å; Q386-Q389 WeakPolarHBondContact O-CB 3.21Å; Q386-Q389 PolarHBondContact O-N 2.78Å; Q386-D390 PolarHBondContact NE2-OD1 3.44Å; Q386-D390 PolarHBondContact NE2-OD2 3.08Å; Q386-D390 PolarHBondContact O-N 3.32Å; Q386-D390 VanDerWaalsContact O-N 3.1Å
387	Q	88.9	Confident	77.6	Confident	109 Å²	109	55.9 Å²	55.9	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-58.3	-51.3	177.2	-177.6	179.1	-3.7	0	0	111.1	S383 E384 Q389 D390 A391	S383-Q387 PolarHBondContact O-N 2.95Å; E384-Q387 PolarHBondContact O-N 2.82Å; Q387-Q389 PolarHBondContact O-N 3.08Å; Q387-D390 PolarHBondContact O-N 3.48Å; Q387-A391 WeakPolarHBondContact O-CB 3.36Å; Q387-A391 PolarHBondContact O-N 3.32Å
388	Y	85.8	Confident	75.1	Confident	48 Å²	48	60.8 Å²	60.8	19%	0.188	32%	0.316	C	S	.	.	H	α-helix	trans	-71.7	-18.4	179	-68.8	-68.1	0	0	0	114.1	F223 L226 W307 E384	F223-Y388 HydrophobicContact CD2-CD2 4.47Å; F223-Y388 HydrophobicContact CD2-CE1 4.06Å; F223-Y388 AromaticContact CD2-CE2 3.99Å; F223-Y388 HydrophobicContact CD2-CE2 3.99Å; F223-Y388 AromaticContact CD2-CZ 3.76Å; F223-Y388 HydrophobicContact CE1-CE1 4.28Å; F223-Y388 AromaticContact CE2-CD1 3.74Å; F223-Y388 HydrophobicContact CE2-CD1 3.74Å; F223-Y388 HydrophobicContact CE2-CD2 4.44Å; F223-Y388 AromaticContact CE2-CE1 3.25Å; F223-Y388 HydrophobicContact CE2-CE1 3.25Å; F223-Y388 HydrophobicContact CE2-CE2 4.03Å; F223-Y388 HydrophobicContact CE2-CG 4.31Å; F223-Y388 AromaticContact CE2-CZ 3.41Å; F223-Y388 VanDerWaalsContact CE2-CZ 3.41Å; F223-Y388 HydrophobicContact CG-CE2 4.49Å; F223-Y388 HydrophobicContact CZ-CD1 4.25Å; F223-Y388 AromaticContact CZ-CE1 3.4Å; F223-Y388 HydrophobicContact CZ-CE1 3.4Å; F223-Y388 AromaticContact CZ-CZ 3.6Å; F223-Y388 WeakPolarHBondContact CZ-OH 3.31Å; L226-Y388 HydrophobicContact CD1-CD2 3.53Å; L226-Y388 HydrophobicContact CD1-CE2 3.84Å; L226-Y388 HydrophobicContact CD1-CG 4.39Å; W307-Y388 HydrophobicContact CZ2-CD1 4.3Å; E384-Y388 WeakPolarHBondContact O-CD2 3.36Å; E384-Y388 PolarHBondContact O-N 3.15Å; E384-Y388 VanDerWaalsContact O-N 3.11Å
389	Q	84.3	Confident	72.9	Confident	32 Å²	32	66.6 Å²	66.6	15%	0.15	34%	0.343	C	S	.	.	H	α-helix	trans	-71.3	-41.8	171.8	179.2	168.5	-41.7	0	0	111.4	H270 R272 T335 Y385 Q386 Q387	H270-Q389 PolarHBondContact O-NE2 3.25Å; R272-Q389 PolarHBondContact NH1-O 3.08Å; T335-Q389 HydrophobicContact CG2-CB 3.96Å; T335-Q389 PolarHBondContact OG1-OE1 3.48Å; Y385-Q389 VanDerWaalsContact O-CB 3.31Å; Y385-Q389 WeakPolarHBondContact O-CB 3.45Å; Y385-Q389 PolarHBondContact O-N 2.96Å; Y385-Q389 VanDerWaalsContact O-N 3.13Å; Q386-Q389 WeakPolarHBondContact O-CB 3.21Å; Q386-Q389 PolarHBondContact O-N 2.78Å; Q387-Q389 PolarHBondContact O-N 3.08Å
390	D	81.3	Confident	70.5	Confident	96 Å²	96	70.6 Å²	70.6	51%	0.513	36%	0.359	S	S	.	.	H	α-helix	trans	-84.4	-22.9	-178.2	-64.3	-30.4	0	0	0	112.2	Q386 Q387 T392	Q386-D390 PolarHBondContact NE2-OD1 3.44Å; Q386-D390 PolarHBondContact NE2-OD2 3.08Å; Q386-D390 PolarHBondContact O-N 3.32Å; Q386-D390 VanDerWaalsContact O-N 3.1Å; Q387-D390 PolarHBondContact O-N 3.48Å; D390-T392 PolarHBondContact O-N 3.36Å
391	A	70.9	Confident	68.1	Low	12 Å²	12	73.9 Å²	73.9	10%	0.099	37%	0.367	C	S	.	.			trans	-51.8	127.1	176.4	0	0	0	0	0	111.5	R272 Q387	R272-A391 PolarHBondContact NH1-O 3.04Å; R272-A391 VanDerWaalsContact NH1-O 3.12Å; Q387-A391 WeakPolarHBondContact O-CB 3.36Å; Q387-A391 PolarHBondContact O-N 3.32Å
392	T	60.4	Low	66	Low	54 Å²	54	76.4 Å²	76.4	33%	0.331	39%	0.388	S	S	.	.			trans	-110	154.5	172.9	57.4	0	0	0	0	110	D390 E394 E395	D390-T392 PolarHBondContact O-N 3.36Å; T392-E394 PolarHBondContact O-N 3.21Å; T392-E395 PolarHBondContact N-OE2 3.47Å; T392-E395 PolarHBondContact O-N 2.71Å
393	A	55.2	Low	63.8	Low	45 Å²	45	83.5 Å²	83.5	37%	0.372	42%	0.42	S	S	.	.	H	α-helix	trans	-58.5	-17.5	-179.3	0	0	0	0	0	114	W307	W307-A393 HydrophobicContact CB-CB 4.39Å
394	E	49.7	Very low	61.5	Low	160 Å²	160	87.4 Å²	87.4	75%	0.748	43%	0.431	S	S	*	.	H	α-helix	trans	-80.3	-24.8	175.8	-65.2	-177.8	173	0	0	112.8	T392	T392-E394 PolarHBondContact O-N 3.21Å
395	E	46.7	Very low	59.2	Low	113 Å²	113	93.9 Å²	93.9	53%	0.528	46%	0.462	S	S	.	.	H	α-helix	trans	-84.5	-27.5	-178.1	-70.5	172.4	155	0	0	112.7	T392 E399	T392-E395 PolarHBondContact N-OE2 3.47Å; T392-E395 PolarHBondContact O-N 2.71Å; E395-E399 PolarHBondContact O-N 3.13Å
396	E	46.3	Very low	57	Low	52 Å²	52	100 Å²	100	24%	0.243	50%	0.499	C	S	.	.	H	α-helix	trans	-78	-31	175.8	-75.4	-171.5	167.5	0	0	113.1	W307 D398 E399 E400	W307-E396 WeakPolarHBondContact CB-OE2 3.36Å; E396-D398 VanDerWaalsContact C-N 3.26Å; E396-D398 PolarHBondContact O-N 2.91Å; E396-E399 PolarHBondContact O-N 2.92Å; E396-E400 PolarHBondContact O-N 2.81Å
397	E	41.7	Very low	54.5	Low	119 Å²	119	104.5 Å²	104.5	56%	0.556	55%	0.545	S	S	*	.	H	α-helix	trans	-58.8	-42.8	172.2	-81.5	-171.3	171.8	0	0	109.9	E399 E400 Y401	E397-E399 PolarHBondContact O-N 3Å; E397-E400 PolarHBondContact O-N 3.4Å; E397-Y401 HydrophobicContact CB-CE2 4.25Å; E397-Y401 WeakPolarHBondContact O-CD2 3.25Å; E397-Y401 PolarHBondContact O-N 2.91Å; E397-Y401 VanDerWaalsContact O-N 3.09Å
398	D	41.3	Very low	52.8	Low	119 Å²	119	104.3 Å²	104.3	64%	0.636	55%	0.547	S	S	*	.	H	α-helix	trans	-67.4	-30.2	178.1	-79	-20.6	0	0	0	113.5	E396 A402	E396-D398 VanDerWaalsContact C-N 3.26Å; E396-D398 PolarHBondContact O-N 2.91Å; D398-A402 WeakPolarHBondContact O-CB 3.33Å; D398-A402 PolarHBondContact O-N 3.13Å
399	E	45.4	Very low	51.1	Low	121 Å²	121	107.3 Å²	107.3	57%	0.565	57%	0.566	S	S	*	*	H	α-helix	trans	-77.3	-38.5	174.7	-75.5	-170.7	169.2	0	0	112.7	E395 E396 E397 A402 E403	E395-E399 PolarHBondContact O-N 3.13Å; E396-E399 PolarHBondContact O-N 2.92Å; E397-E399 PolarHBondContact O-N 3Å; E399-A402 PolarHBondContact O-N 3.44Å; E399-A402 VanDerWaalsContact O-N 3.15Å; E399-E403 PolarHBondContact O-N 3.44Å
400	E	42.6	Very low	49.2	Very low	146 Å²	146	111.4 Å²	111.4	68%	0.682	59%	0.589	S	S	*	*	H	α-helix	trans	-63.2	-40.7	173.2	-103.3	-172.5	165.5	0	0	111.6	E396 E397 A402 E403 E404	E396-E400 PolarHBondContact O-N 2.81Å; E397-E400 PolarHBondContact O-N 3.4Å; E400-A402 VanDerWaalsContact C-N 3.29Å; E400-A402 PolarHBondContact O-N 3.08Å; E400-E403 PolarHBondContact O-N 3.3Å; E400-E404 PolarHBondContact O-N 3.04Å
401	Y	43.2	Very low	47.4	Very low	145 Å²	145	112.4 Å²	112.4	57%	0.569	59%	0.594	S	S	*	*	H	α-helix	trans	-66.1	-31	173.4	-72.5	-63	0	0	0	112.5	E397 E405	E397-Y401 HydrophobicContact CB-CE2 4.25Å; E397-Y401 WeakPolarHBondContact O-CD2 3.25Å; E397-Y401 PolarHBondContact O-N 2.91Å; E397-Y401 VanDerWaalsContact O-N 3.09Å; Y401-E405 PolarHBondContact O-N 3.17Å
402	A	48.2	Very low	45.9	Very low	54 Å²	54	118.6 Å²	118.6	45%	0.446	63%	0.625	S	S	.	*	H	α-helix	trans	-74.1	-34.5	176.6	0	0	0	0	0	112.6	D398 E399 E400 V406	D398-A402 WeakPolarHBondContact O-CB 3.33Å; D398-A402 PolarHBondContact O-N 3.13Å; E399-A402 PolarHBondContact O-N 3.44Å; E399-A402 VanDerWaalsContact O-N 3.15Å; E400-A402 VanDerWaalsContact C-N 3.29Å; E400-A402 PolarHBondContact O-N 3.08Å; A402-V406 VanDerWaalsContact O-CG2 3.3Å; A402-V406 WeakPolarHBondContact O-CG2 3.5Å
403	E	44.8	Very low	44.9	Very low	159 Å²	159	122.9 Å²	122.9	74%	0.743	64%	0.644	S	S	*	*	H	α-helix	trans	-73.3	-35.1	173.6	-73.8	-164.8	157.6	0	0	112.6	E399 E400 V406	E399-E403 PolarHBondContact O-N 3.44Å; E400-E403 PolarHBondContact O-N 3.3Å; E403-V406 PolarHBondContact O-N 3.01Å
404	E	44.3	Very low	44.2	Very low	151 Å²	151	128.5 Å²	128.5	71%	0.706	66%	0.664	S	S	*	*	H	α-helix	trans	-70	-27.7	174.9	-77.9	-164.4	156.2	0	0	113.7	E400 V406	E400-E404 PolarHBondContact O-N 3.04Å; E404-V406 VanDerWaalsContact C-N 3.3Å; E404-V406 PolarHBondContact O-N 3.33Å
405	E	41.8	Very low	43.8	Very low	181 Å²	181	126.1 Å²	126.1	85%	0.846	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-11.8	175	-83.4	-157.7	156.4	0	0	114.1	Y401	Y401-E405 PolarHBondContact O-N 3.17Å
406	V	45.8	Very low	43.5	Very low	129 Å²	129	127.2 Å²	127.2	78%	0.782	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	0.5	-178.3	-171.1	0	0	0	0	112.6	A402 E403 E404	A402-V406 VanDerWaalsContact O-CG2 3.3Å; A402-V406 WeakPolarHBondContact O-CG2 3.5Å; E403-V406 PolarHBondContact O-N 3.01Å; E404-V406 VanDerWaalsContact C-N 3.3Å; E404-V406 PolarHBondContact O-N 3.33Å
407	A	36.8	Very low	43.3	Very low	150 Å²	150	134 Å²	134	100%	1.24	71%	0.706	S	S	*	*			trans	-89.2	0	177.5	0	0	0	0	0	114.7

Retrieved 407 of 407 residues in 154.7 ms (Link to these results)

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