A0A5K4F5P7_SCHMA Loading...

Rab proteins geranylgeranyltransferase component A AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F5P7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 781 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	59.2	Low	89.8	Confident	209 Å²	209	67.1 Å²	67.1	100%	1.03	33%	0.325	S	S	*	.				0	115.7	0	-71.5	-64.8	-99.6	0	0	107.4
2	D	78.8	Confident	90.4	Very high	146 Å²	146	61.5 Å²	61.5	78%	0.781	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-79.2	124.3	173.7	-69	-40.3	0	0	0	108.5
3	F	88.8	Confident	90.8	Very high	30 Å²	30	56.8 Å²	56.8	13%	0.132	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-74.4	139.6	173.1	-91.6	-110.9	0	0	0	108.5	E5 L33 C407 L473 N475 R477 I479	F3-E5 PolarHBondContact O-N 3.38Å; F3-L33 HydrophobicContact CD1-CD1 3.95Å; F3-L33 HydrophobicContact CD1-CD2 4.06Å; F3-L33 HydrophobicContact CE1-CD1 3.75Å; F3-L33 HydrophobicContact CE1-CD2 4.16Å; F3-C407 HydrophobicContact CE1-CB 4.25Å; F3-C407 HydrophobicContact CZ-CB 3.6Å; F3-L473 HydrophobicContact CD1-CD1 3.76Å; F3-L473 HydrophobicContact CE1-CD1 3.53Å; F3-N475 VanDerWaalsContact CE2-ND2 3.26Å; F3-N475 WeakPolarHBondContact CE2-ND2 3.48Å; F3-N475 WeakPolarHBondContact CZ-ND2 3.28Å; F3-R477 HydrophobicContact CB-CB 4.46Å; F3-R477 HydrophobicContact CB-CG 4.03Å; F3-R477 HydrophobicContact CD1-CG 4.49Å; F3-R477 HydrophobicContact CD2-CG 4.18Å; F3-R477 HydrophobicContact CG-CB 4.46Å; F3-R477 HydrophobicContact CG-CG 3.98Å; F3-I479 HydrophobicContact CB-CD1 4.15Å; F3-I479 HydrophobicContact CD1-CD1 4.06Å
4	P	91.3	Very high	91.2	Very high	31 Å²	31	52.8 Å²	52.8	20%	0.201	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-61.6	137.9	173.7	27	-34.2	0	0	0	109.9	R6 V7 I479	P4-R6 VanDerWaalsContact C-N 3.28Å; P4-V7 HydrophobicContact CB-CG1 3.72Å; P4-V7 HydrophobicContact CG-CG1 3.39Å; P4-I479 WeakPolarHBondContact O-CD1 3.41Å
5	E	92.2	Very high	91.4	Very high	168 Å²	168	50 Å²	50	79%	0.785	25%	0.247	S	C	*	.	S	Bend	trans	-74.7	-23.9	176.4	-62.3	-170.9	165.3	0	0	112.2	F3 R480	F3-E5 PolarHBondContact O-N 3.38Å; E5-R480 PolarHBondContact O-N 3.27Å
6	R	94.4	Very high	91.5	Very high	114 Å²	114	47.6 Å²	47.6	43%	0.43	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	139.2	-179.2	-174.8	-176.8	-172.9	-170	4.8	110.3	P4 D467 R480	P4-R6 VanDerWaalsContact C-N 3.28Å; R6-D467 WeakPolarHBondContact CD-OD2 3.44Å; R6-D467 IonicContact CZ-OD1 3.07Å; R6-D467 IonicContact CZ-OD2 3.52Å; R6-D467 VanDerWaalsContact NE-CG 3.26Å; R6-D467 IonicContact NE-OD1 2.7Å; R6-D467 PolarHBondContact NE-OD1 3.34Å; R6-D467 IonicContact NE-OD2 2.85Å; R6-D467 PolarHBondContact NE-OD2 3.36Å; R6-D467 IonicContact NH2-OD1 3.07Å; R6-D467 PolarHBondContact NH2-OD1 3.49Å; R6-D467 IonicContact NH2-OD2 3.3Å; R6-R480 CarbonylContact C-O 3.4Å; R6-R480 VanDerWaalsContact CA-O 3.27Å; R6-R480 WeakPolarHBondContact CA-O 3.44Å; R6-R480 HydrophobicContact CB-CB 4.34Å; R6-R480 HydrophobicContact CG-CB 4.23Å
7	V	95.6	Very high	91.6	Very high	6 Å²	6	44.9 Å²	44.9	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	157.4	174.3	-63.5	0	0	0	0	110.5	P4 C9 V10 Q31 L33 I479 R480 T481	P4-V7 HydrophobicContact CB-CG1 3.72Å; P4-V7 HydrophobicContact CG-CG1 3.39Å; V7-C9 WeakPolarHBondContact CG2-O 3.33Å; V7-V10 HydrophobicContact CG2-CG2 3.63Å; V7-Q31 HydrophobicContact CB-CB 4.5Å; V7-Q31 WeakPolarHBondContact CB-O 3.43Å; V7-L33 HydrophobicContact CG1-CB 4.12Å; V7-L33 HydrophobicContact CG2-CB 4.08Å; V7-I479 HydrophobicContact CG1-CG2 4.46Å; V7-I479 HydrophobicContact CG2-CG2 3.72Å; V7-R480 PolarHBondContact N-O 3.23Å; V7-T481 VanDerWaalsContact O-CA 3.29Å; V7-T481 WeakPolarHBondContact O-CA 3.33Å; V7-T481 WeakPolarHBondContact O-CB 3.49Å; V7-T481 PolarHBondContact O-OG1 3.42Å
8	D	94.9	Very high	91.9	Very high	34 Å²	34	42.6 Å²	42.6	18%	0.182	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	-40.9	175.8	-68.8	-60.4	0	0	0	111.5	K30 Q31 T481 C483 L706	D8-K30 HydrophobicContact CB-CB 4.22Å; D8-K30 WeakPolarHBondContact OD2-CA 3.36Å; D8-Q31 WeakPolarHBondContact CB-O 3.39Å; D8-Q31 PolarHBondContact N-O 2.82Å; D8-Q31 PolarHBondContact OD2-N 2.63Å; D8-T481 PolarHBondContact O-OG1 3.31Å; D8-T481 VanDerWaalsContact O-OG1 3.12Å; D8-C483 PolarHBondContact O-N 2.65Å; D8-C483 PolarHBondContact O-SG 3.27Å; D8-C483 VanDerWaalsContact O-SG 3.35Å; D8-L706 HydrophobicContact CB-CD1 4.1Å; D8-L706 HydrophobicContact CB-CD2 4.03Å
9	C	96.4	Very high	92.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	143.5	177.2	-137.5	0	0	0	0	113.1	V7 Q31 I32 L33 T481 C483	V7-C9 WeakPolarHBondContact CG2-O 3.33Å; C9-Q31 PolarHBondContact N-O 3.16Å; C9-I32 HydrophobicContact CB-CD1 3.64Å; C9-I32 WeakPolarHBondContact O-CA 3.45Å; C9-L33 PolarHBondContact O-N 3.09Å; C9-T481 WeakPolarHBondContact CA-OG1 3.29Å; C9-T481 PolarHBondContact N-OG1 2.82Å; C9-C483 WeakPolarHBondContact CA-O 2.99Å; C9-C483 VanDerWaalsContact CA-SG 3.57Å; C9-C483 WeakPolarHBondContact CB-SG 3.37Å; C9-C483 VanDerWaalsContact SG-C 3.55Å; C9-C483 WeakPolarHBondContact SG-CB 3.4Å; C9-C483 PolarHBondContact SG-O 3.07Å; C9-C483 VanDerWaalsContact SG-O 3.41Å; C9-C483 CovalentContact SG-SG 2.06Å; C9-C483 PolarHBondContact SG-SG 2.98Å
10	V	97.8	Very high	92.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.1	166.7	177.9	0	0	0	0	109.2	V7 L33 V412 V471 I479 T481 C483 V484 I485	V7-V10 HydrophobicContact CG2-CG2 3.63Å; V10-L33 CarbonylContact C-O 3.56Å; V10-L33 WeakPolarHBondContact CA-O 3.34Å; V10-L33 HydrophobicContact CG2-CB 4.37Å; V10-L33 HydrophobicContact CG2-CD2 4.41Å; V10-V412 HydrophobicContact CG1-CG2 4.46Å; V10-V471 HydrophobicContact CB-CG2 4.47Å; V10-V471 HydrophobicContact CG1-CG1 4.32Å; V10-V471 HydrophobicContact CG2-CB 4.5Å; V10-V471 HydrophobicContact CG2-CG2 4.2Å; V10-I479 HydrophobicContact CG2-CB 4.48Å; V10-I479 HydrophobicContact CG2-CG2 4.06Å; V10-T481 HydrophobicContact CB-CG2 4.47Å; V10-T481 HydrophobicContact CG2-CG2 3.9Å; V10-C483 PolarHBondContact N-O 3.06Å; V10-V484 CarbonylContact O-C 3.57Å; V10-V484 VanDerWaalsContact O-CA 3.26Å; V10-V484 WeakPolarHBondContact O-CA 3.33Å; V10-I485 PolarHBondContact O-N 2.96Å
11	I	98.2	Very high	92.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122	178.6	-54.5	-178.4	0	0	0	108.4	E18 I32 L33 H34 I35 I485	I11-E18 HydrophobicContact CG2-CB 3.72Å; I11-E18 HydrophobicContact CG2-CG 4.12Å; I11-I32 HydrophobicContact CD1-CG2 3.71Å; I11-I32 HydrophobicContact CG1-CG2 3.98Å; I11-L33 PolarHBondContact N-O 3.29Å; I11-H34 WeakPolarHBondContact CG2-NE2 3.33Å; I11-H34 WeakPolarHBondContact O-CA 3.46Å; I11-I35 WeakPolarHBondContact O-CG1 3.33Å; I11-I35 PolarHBondContact O-N 3.28Å; I11-I485 CarbonylContact C-O 3.48Å; I11-I485 WeakPolarHBondContact CA-O 3.23Å; I11-I485 HydrophobicContact CB-CB 4.38Å; I11-I485 HydrophobicContact CD1-CD1 3.94Å; I11-I485 HydrophobicContact CG1-CB 4.09Å; I11-I485 HydrophobicContact CG1-CD1 3.93Å; I11-I485 HydrophobicContact CG1-CG1 4.18Å; I11-I485 HydrophobicContact CG2-CB 4.15Å; I11-I485 HydrophobicContact CG2-CG2 4.38Å
12	D	96.9	Very high	94.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	104	176.2	-168.9	-3	0	0	0	110.8	I35 V412 I485 L486 C487 C490	D12-I35 HydrophobicContact CB-CD1 4.32Å; D12-I35 HydrophobicContact CB-CG1 3.97Å; D12-V412 HydrophobicContact CB-CG2 3.87Å; D12-V412 WeakPolarHBondContact OD2-CB 3.43Å; D12-V412 WeakPolarHBondContact OD2-CG2 3.36Å; D12-V412 PolarHBondContact OD2-N 3Å; D12-I485 PolarHBondContact N-O 3.36Å; D12-L486 HydrophobicContact CB-CD2 3.9Å; D12-C487 PolarHBondContact O-N 3.14Å; D12-C490 PolarHBondContact O-SG 2.95Å; D12-C490 PolarHBondContact OD1-SG 3.09Å; D12-C490 VanDerWaalsContact OD1-SG 3.36Å
13	G	95.9	Very high	95.1	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.01	10%	0.095	C	C	.	.			trans	125.5	136.9	-173.4	0	0	0	0	0	111.1	E18 H34 I35	G13-E18 WeakPolarHBondContact O-CB 3.43Å; G13-E18 VanDerWaalsContact O-CG 3.31Å; G13-E18 WeakPolarHBondContact O-CG 3.28Å; G13-H34 PolarHBondContact O-CD2 2.79Å; G13-H34 PolarHBondContact O-NE2 3.11Å; G13-I35 PolarHBondContact N-O 3.47Å
14	T	96.1	Very high	95.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.			trans	-115.3	28.9	-177.7	56.4	0	0	0	0	113.1	D36 Y41 G42 T392 L408	T14-D36 WeakPolarHBondContact CB-OD2 3.41Å; T14-D36 HydrophobicContact CG2-CB 3.79Å; T14-D36 PolarHBondContact N-OD2 3.48Å; T14-D36 PolarHBondContact OG1-OD2 3.24Å; T14-Y41 HydrophobicContact CG2-CD1 3.7Å; T14-Y41 HydrophobicContact CG2-CE1 4.11Å; T14-Y41 VanDerWaalsContact OG1-CA 3.28Å; T14-Y41 WeakPolarHBondContact OG1-CA 3.41Å; T14-G42 VanDerWaalsContact O-CA 3.23Å; T14-G42 WeakPolarHBondContact O-CA 3.46Å; T14-G42 PolarHBondContact O-N 2.83Å; T14-G42 PolarHBondContact OG1-N 2.98Å; T14-T392 WeakPolarHBondContact O-CB 3.47Å; T14-L408 HydrophobicContact CG2-CD2 4.5Å
15	G	94.1	Very high	95.5	Very high	11 Å²	11	16.8 Å²	16.8	11%	0.113	8%	0.079	C	C	.	.	S	Bend	trans	-64.6	-179	171	0	0	0	0	0	112.6	S17 E18 S19	G15-S17 PolarHBondContact O-N 2.95Å; G15-E18 WeakPolarHBondContact CA-OE2 3.19Å; G15-E18 PolarHBondContact N-OE2 3.22Å; G15-E18 VanDerWaalsContact N-OE2 3.07Å; G15-S19 VanDerWaalsContact O-CB 3.3Å; G15-S19 WeakPolarHBondContact O-CB 3.19Å; G15-S19 PolarHBondContact O-N 3.2Å; G15-S19 PolarHBondContact O-OG 3.02Å
16	L	93.2	Very high	95.5	Very high	11 Å²	11	8.8 Å²	8.8	6%	0.058	4%	0.042	C	C	.	.	H	α-helix	trans	-64.6	-41.9	-174.9	-175.7	59.5	0	0	0	112.2	S19 L20 L45 T392 Y395 L657 I691	L16-S19 PolarHBondContact O-OG 3.3Å; L16-S19 VanDerWaalsContact O-OG 3.13Å; L16-L20 WeakPolarHBondContact O-CB 3.47Å; L16-L20 PolarHBondContact O-N 3.24Å; L16-L45 HydrophobicContact CB-CD1 3.84Å; L16-T392 HydrophobicContact CB-CG2 4.1Å; L16-T392 HydrophobicContact CD1-CG2 4.46Å; L16-Y395 HydrophobicContact CD1-CD2 3.92Å; L16-Y395 HydrophobicContact CD1-CE2 3.94Å; L16-L657 HydrophobicContact CD2-CD1 4.27Å; L16-L657 HydrophobicContact CD2-CD2 3.56Å; L16-I691 HydrophobicContact CD2-CD1 4.35Å; L16-I691 HydrophobicContact CD2-CG2 4.13Å; L16-I691 HydrophobicContact CG-CG2 4.2Å
17	S	93.7	Very high	95.4	Very high	2 Å²	2	3.9 Å²	3.9	1%	0.014	2%	0.024	C	C	.	.	H	α-helix	trans	-62.7	-49.4	179	-58.5	0	0	0	0	111.3	G15 L20 I21 A649	G15-S17 PolarHBondContact O-N 2.95Å; S17-L20 PolarHBondContact O-N 3.22Å; S17-I21 WeakPolarHBondContact O-CD1 3.35Å; S17-I21 WeakPolarHBondContact O-CG1 3.24Å; S17-I21 PolarHBondContact O-N 3.19Å; S17-A649 PolarHBondContact OG-O 3.34Å
18	E	96.2	Very high	95	Very high	4 Å²	4	5.4 Å²	5.4	2%	0.019	3%	0.032	C	C	.	.	H	α-helix	trans	-65.4	-46.1	-176.5	-59.2	80.1	-173.9	0	0	111	I11 G13 G15 I21 S22 C487 T648	I11-E18 HydrophobicContact CG2-CB 3.72Å; I11-E18 HydrophobicContact CG2-CG 4.12Å; G13-E18 WeakPolarHBondContact O-CB 3.43Å; G13-E18 VanDerWaalsContact O-CG 3.31Å; G13-E18 WeakPolarHBondContact O-CG 3.28Å; G15-E18 WeakPolarHBondContact CA-OE2 3.19Å; G15-E18 PolarHBondContact N-OE2 3.22Å; G15-E18 VanDerWaalsContact N-OE2 3.07Å; E18-I21 PolarHBondContact O-N 2.87Å; E18-S22 VanDerWaalsContact O-CB 3.29Å; E18-S22 WeakPolarHBondContact O-CB 3.37Å; E18-S22 PolarHBondContact O-N 2.88Å; E18-C487 HydrophobicContact CG-CB 4.24Å; E18-C487 WeakPolarHBondContact OE1-CB 3.22Å; E18-T648 VanDerWaalsContact CD-OG1 3.29Å; E18-T648 HydrophobicContact CG-CG2 4.1Å; E18-T648 WeakPolarHBondContact OE1-CB 3.44Å; E18-T648 PolarHBondContact OE1-OG1 3.08Å
19	S	96.9	Very high	94.7	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-65.8	-40.7	177.9	58.9	0	0	0	0	112.4	G15 L16 S22 A23 T392 C396	G15-S19 VanDerWaalsContact O-CB 3.3Å; G15-S19 WeakPolarHBondContact O-CB 3.19Å; G15-S19 PolarHBondContact O-N 3.2Å; G15-S19 PolarHBondContact O-OG 3.02Å; L16-S19 PolarHBondContact O-OG 3.3Å; L16-S19 VanDerWaalsContact O-OG 3.13Å; S19-S22 PolarHBondContact O-N 3.32Å; S19-A23 WeakPolarHBondContact O-CB 3.27Å; S19-A23 PolarHBondContact O-N 3.35Å; S19-T392 WeakPolarHBondContact CB-O 3.24Å; S19-C396 VanDerWaalsContact CB-SG 3.51Å
20	L	95.2	Very high	94.4	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-62	-44.5	174.9	-177.1	71.2	0	0	0	112.1	L16 S17 S24 Y395 L692 A695 F748 P749	L16-L20 WeakPolarHBondContact O-CB 3.47Å; L16-L20 PolarHBondContact O-N 3.24Å; S17-L20 PolarHBondContact O-N 3.22Å; L20-S24 VanDerWaalsContact O-CB 3.31Å; L20-S24 WeakPolarHBondContact O-CB 3.45Å; L20-S24 PolarHBondContact O-N 3.32Å; L20-S24 PolarHBondContact O-OG 3.19Å; L20-Y395 HydrophobicContact CD1-CD1 3.89Å; L20-Y395 HydrophobicContact CD1-CE1 3.25Å; L20-Y395 HydrophobicContact CD1-CE2 3.99Å; L20-Y395 WeakPolarHBondContact CD1-OH 3.39Å; L20-L692 HydrophobicContact CD2-CD2 3.46Å; L20-L692 VanDerWaalsContact CD2-CD2 3.46Å; L20-A695 HydrophobicContact CD2-CB 3.92Å; L20-F748 HydrophobicContact CD2-CE1 3.41Å; L20-F748 VanDerWaalsContact CD2-CE1 3.41Å; L20-F748 HydrophobicContact CD2-CZ 3.52Å; L20-F748 HydrophobicContact CG-CE1 3.96Å; L20-F748 HydrophobicContact CG-CE2 4.49Å; L20-F748 HydrophobicContact CG-CZ 3.59Å; L20-P749 HydrophobicContact CD1-CB 4.05Å; L20-P749 HydrophobicContact CD1-CG 4.08Å
21	I	96.5	Very high	94.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-67.2	-44.6	177	-64.3	165.5	0	0	0	110.4	S17 E18 A23 S24 L25 I485 T648 A695 I698 I702	S17-I21 WeakPolarHBondContact O-CD1 3.35Å; S17-I21 WeakPolarHBondContact O-CG1 3.24Å; S17-I21 PolarHBondContact O-N 3.19Å; E18-I21 PolarHBondContact O-N 2.87Å; I21-A23 PolarHBondContact O-N 3.44Å; I21-S24 PolarHBondContact O-N 3.46Å; I21-L25 HydrophobicContact CG2-CD1 3.74Å; I21-L25 HydrophobicContact CG2-CG 4.16Å; I21-L25 WeakPolarHBondContact O-CB 3.39Å; I21-L25 WeakPolarHBondContact O-CG 3.24Å; I21-L25 PolarHBondContact O-N 3.44Å; I21-I485 HydrophobicContact CB-CD1 4.41Å; I21-I485 HydrophobicContact CD1-CD1 4.33Å; I21-I485 HydrophobicContact CG2-CD1 3.6Å; I21-T648 HydrophobicContact CD1-CG2 3.85Å; I21-A695 HydrophobicContact CD1-CB 4.1Å; I21-A695 HydrophobicContact CG1-CB 3.92Å; I21-I698 HydrophobicContact CD1-CB 3.99Å; I21-I698 HydrophobicContact CD1-CD1 4.38Å; I21-I698 HydrophobicContact CD1-CG2 3.84Å; I21-I702 HydrophobicContact CG2-CD1 4.39Å
22	S	97.2	Very high	94.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-56.9	-50.9	177.3	-167.3	0	0	0	0	111	E18 S19 S24 L25 S26 H34 S399	E18-S22 VanDerWaalsContact O-CB 3.29Å; E18-S22 WeakPolarHBondContact O-CB 3.37Å; E18-S22 PolarHBondContact O-N 2.88Å; S19-S22 PolarHBondContact O-N 3.32Å; S22-S24 VanDerWaalsContact C-N 3.3Å; S22-S24 PolarHBondContact O-N 3.23Å; S22-L25 PolarHBondContact O-N 2.95Å; S22-S26 WeakPolarHBondContact O-CB 3.47Å; S22-S26 PolarHBondContact O-N 3.25Å; S22-S26 PolarHBondContact O-OG 3.25Å; S22-H34 WeakPolarHBondContact CB-ND1 3.33Å; S22-H34 PolarHBondContact OG-ND1 3.11Å; S22-S399 WeakPolarHBondContact CB-OG 3.11Å; S22-S399 PolarHBondContact O-OG 3.22Å; S22-S399 VanDerWaalsContact O-OG 3.08Å; S22-S399 PolarHBondContact OG-OG 2.82Å
23	A	95.4	Very high	94.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.9	-42.8	177.1	0	0	0	0	0	111.7	S19 I21 S26 I27 Y395 M398 S399	S19-A23 WeakPolarHBondContact O-CB 3.27Å; S19-A23 PolarHBondContact O-N 3.35Å; I21-A23 PolarHBondContact O-N 3.44Å; A23-S26 WeakPolarHBondContact CA-OG 3.36Å; A23-S26 PolarHBondContact O-OG 3.06Å; A23-I27 WeakPolarHBondContact O-CB 3.17Å; A23-I27 WeakPolarHBondContact O-CD1 3.24Å; A23-I27 WeakPolarHBondContact O-CG1 3.08Å; A23-I27 PolarHBondContact O-N 2.9Å; A23-Y395 HydrophobicContact CB-CD1 3.94Å; A23-M398 HydrophobicContact CB-CB 4.42Å; A23-S399 PolarHBondContact N-OG 3.39Å
24	S	94.8	Very high	94.3	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.007	5%	0.052	C	C	.	.	H	α-helix	trans	-66.1	-42.6	-179.9	-60.3	0	0	0	0	112.5	L20 I21 S22 L28 F748 P749 P750	L20-S24 VanDerWaalsContact O-CB 3.31Å; L20-S24 WeakPolarHBondContact O-CB 3.45Å; L20-S24 PolarHBondContact O-N 3.32Å; L20-S24 PolarHBondContact O-OG 3.19Å; I21-S24 PolarHBondContact O-N 3.46Å; S22-S24 VanDerWaalsContact C-N 3.3Å; S22-S24 PolarHBondContact O-N 3.23Å; S24-L28 WeakPolarHBondContact O-CG 3.34Å; S24-L28 PolarHBondContact O-N 3.22Å; S24-F748 VanDerWaalsContact OG-CE2 3.27Å; S24-F748 WeakPolarHBondContact OG-CE2 3.37Å; S24-P749 WeakPolarHBondContact OG-CB 3.29Å; S24-P750 VanDerWaalsContact CB-CD 3.47Å; S24-P750 WeakPolarHBondContact OG-CD 3.49Å
25	L	94.1	Very high	94.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-69.8	-42.6	177.9	-70.7	173	0	0	0	111.6	I21 S22 L28 G29 K30 I32 F699 I702 I703	I21-L25 HydrophobicContact CG2-CD1 3.74Å; I21-L25 HydrophobicContact CG2-CG 4.16Å; I21-L25 WeakPolarHBondContact O-CB 3.39Å; I21-L25 WeakPolarHBondContact O-CG 3.24Å; I21-L25 PolarHBondContact O-N 3.44Å; S22-L25 PolarHBondContact O-N 2.95Å; L25-L28 CarbonylContact O-C 3.59Å; L25-L28 PolarHBondContact O-N 3.01Å; L25-L28 VanDerWaalsContact O-N 3.15Å; L25-G29 PolarHBondContact O-N 2.96Å; L25-K30 HydrophobicContact CB-CB 4.2Å; L25-K30 HydrophobicContact CB-CG 4.47Å; L25-K30 WeakPolarHBondContact O-CB 3.5Å; L25-K30 WeakPolarHBondContact O-CG 3.36Å; L25-K30 PolarHBondContact O-N 3.07Å; L25-K30 VanDerWaalsContact O-N 3.11Å; L25-I32 HydrophobicContact CB-CD1 3.82Å; L25-I32 HydrophobicContact CB-CG1 4.13Å; L25-I32 HydrophobicContact CD1-CD1 3.83Å; L25-I32 HydrophobicContact CG-CD1 4.48Å; L25-F699 HydrophobicContact CD2-CD2 3.82Å; L25-F699 HydrophobicContact CD2-CE2 3.84Å; L25-F699 HydrophobicContact CG-CD2 4.03Å; L25-F699 HydrophobicContact CG-CE2 4.16Å; L25-I702 HydrophobicContact CD1-CD1 4.28Å; L25-I702 HydrophobicContact CD1-CG2 3.96Å; L25-I702 HydrophobicContact CD2-CB 4.45Å; L25-I702 HydrophobicContact CD2-CG2 3.72Å; L25-I703 HydrophobicContact CD2-CG1 4.46Å
26	S	93.1	Very high	94.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.6	-42.1	177.7	62.1	0	0	0	0	111	S22 A23 L28 G29 S399 T404 Y737	S22-S26 WeakPolarHBondContact O-CB 3.47Å; S22-S26 PolarHBondContact O-N 3.25Å; S22-S26 PolarHBondContact O-OG 3.25Å; A23-S26 WeakPolarHBondContact CA-OG 3.36Å; A23-S26 PolarHBondContact O-OG 3.06Å; S26-L28 PolarHBondContact O-N 2.75Å; S26-L28 VanDerWaalsContact O-N 3.12Å; S26-G29 WeakPolarHBondContact O-CA 3.35Å; S26-G29 PolarHBondContact O-N 3.01Å; S26-S399 VanDerWaalsContact OG-CA 3.26Å; S26-S399 WeakPolarHBondContact OG-CA 3.44Å; S26-S399 PolarHBondContact OG-OG 2.89Å; S26-S399 VanDerWaalsContact OG-OG 3.09Å; S26-T404 WeakPolarHBondContact CB-OG1 3.3Å; S26-Y737 PolarHBondContact O-OH 3.41Å
27	I	90.4	Very high	94.5	Very high	10 Å²	10	11 Å²	11	5%	0.051	5%	0.054	C	C	.	.	H	α-helix	trans	-53.9	-35.4	174.4	-75.2	163.8	0	0	0	111.3	A23 G29 M398 F402 P750 K751 A752	A23-I27 WeakPolarHBondContact O-CB 3.17Å; A23-I27 WeakPolarHBondContact O-CD1 3.24Å; A23-I27 WeakPolarHBondContact O-CG1 3.08Å; A23-I27 PolarHBondContact O-N 2.9Å; I27-G29 PolarHBondContact O-N 2.74Å; I27-M398 HydrophobicContact CD1-CG 4.32Å; I27-F402 HydrophobicContact CG1-CD2 3.57Å; I27-F402 HydrophobicContact CG1-CE2 3.64Å; I27-F402 HydrophobicContact CG1-CG 4.33Å; I27-F402 HydrophobicContact CG1-CZ 4.44Å; I27-P750 HydrophobicContact CG2-CB 3.92Å; I27-K751 WeakPolarHBondContact CG2-O 3.41Å; I27-A752 HydrophobicContact CD1-CB 4.28Å
28	L	88.6	Confident	94.5	Very high	39 Å²	39	12.7 Å²	12.7	20%	0.204	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	15.9	175.1	-60.1	-178.9	0	0	0	114.3	S24 L25 S26 F699 I703 L708 W744 P750	S24-L28 WeakPolarHBondContact O-CG 3.34Å; S24-L28 PolarHBondContact O-N 3.22Å; L25-L28 CarbonylContact O-C 3.59Å; L25-L28 PolarHBondContact O-N 3.01Å; L25-L28 VanDerWaalsContact O-N 3.15Å; S26-L28 PolarHBondContact O-N 2.75Å; S26-L28 VanDerWaalsContact O-N 3.12Å; L28-F699 HydrophobicContact CD1-CE2 4.1Å; L28-F699 HydrophobicContact CD1-CZ 3.66Å; L28-I703 HydrophobicContact CD1-CD1 3.58Å; L28-I703 HydrophobicContact CD1-CG1 4.35Å; L28-L708 HydrophobicContact CB-CD1 4.4Å; L28-L708 HydrophobicContact CD1-CD1 4.17Å; L28-W744 HydrophobicContact CD2-CB 3.94Å; L28-W744 HydrophobicContact CD2-CG 4.18Å; L28-P750 HydrophobicContact CD1-CG 4.29Å; L28-P750 HydrophobicContact CD2-CB 4.33Å; L28-P750 HydrophobicContact CD2-CG 4.28Å; L28-P750 HydrophobicContact CG-CG 4.16Å
29	G	88.3	Confident	94.4	Very high	13 Å²	13	16.7 Å²	16.7	13%	0.134	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	20.9	175	0	0	0	0	0	114.8	L25 S26 I27	L25-G29 PolarHBondContact O-N 2.96Å; S26-G29 WeakPolarHBondContact O-CA 3.35Å; S26-G29 PolarHBondContact O-N 3.01Å; I27-G29 PolarHBondContact O-N 2.74Å
30	K	91.1	Very high	94.2	Very high	15 Å²	15	19.6 Å²	19.6	7%	0.065	11%	0.108	C	C	.	.			trans	-84.4	141	177.7	-57.2	-53.2	175.6	-166.8	0	112.1	D8 L25 I32 L706	D8-K30 HydrophobicContact CB-CB 4.22Å; D8-K30 WeakPolarHBondContact OD2-CA 3.36Å; L25-K30 HydrophobicContact CB-CB 4.2Å; L25-K30 HydrophobicContact CB-CG 4.47Å; L25-K30 WeakPolarHBondContact O-CB 3.5Å; L25-K30 WeakPolarHBondContact O-CG 3.36Å; L25-K30 PolarHBondContact O-N 3.07Å; L25-K30 VanDerWaalsContact O-N 3.11Å; K30-I32 HydrophobicContact CB-CD1 4.06Å; K30-I32 HydrophobicContact CB-CG1 4.49Å; K30-I32 PolarHBondContact O-N 3.12Å; K30-L706 HydrophobicContact CD-CD1 3.93Å; K30-L706 HydrophobicContact CG-CD1 3.93Å
31	Q	93.8	Very high	94.3	Very high	89 Å²	89	22.5 Å²	22.5	42%	0.416	12%	0.12	S	C	.	.			trans	-82	116.2	175.3	-65.2	-170.8	7.9	0	0	109.2	V7 D8 C9	V7-Q31 HydrophobicContact CB-CB 4.5Å; V7-Q31 WeakPolarHBondContact CB-O 3.43Å; D8-Q31 WeakPolarHBondContact CB-O 3.39Å; D8-Q31 PolarHBondContact N-O 2.82Å; D8-Q31 PolarHBondContact OD2-N 2.63Å; C9-Q31 PolarHBondContact N-O 3.16Å
32	I	96.6	Very high	94.1	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.3	-177.2	-51.2	-61.7	0	0	0	109.2	C9 I11 L25 K30 H34 T404 T405	C9-I32 HydrophobicContact CB-CD1 3.64Å; C9-I32 WeakPolarHBondContact O-CA 3.45Å; I11-I32 HydrophobicContact CD1-CG2 3.71Å; I11-I32 HydrophobicContact CG1-CG2 3.98Å; L25-I32 HydrophobicContact CB-CD1 3.82Å; L25-I32 HydrophobicContact CB-CG1 4.13Å; L25-I32 HydrophobicContact CD1-CD1 3.83Å; L25-I32 HydrophobicContact CG-CD1 4.48Å; K30-I32 HydrophobicContact CB-CD1 4.06Å; K30-I32 HydrophobicContact CB-CG1 4.49Å; K30-I32 PolarHBondContact O-N 3.12Å; I32-H34 HydrophobicContact CG2-CB 4.39Å; I32-T404 HydrophobicContact CB-CG2 3.86Å; I32-T404 HydrophobicContact CG2-CG2 4.03Å; I32-T405 PolarHBondContact O-N 3.36Å
33	L	98	Very high	93.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113	161.6	174.4	64.9	0	0	0	108.2	F3 V7 C9 V10 I11 I35 T405 L473 I479	F3-L33 HydrophobicContact CD1-CD1 3.95Å; F3-L33 HydrophobicContact CD1-CD2 4.06Å; F3-L33 HydrophobicContact CE1-CD1 3.75Å; F3-L33 HydrophobicContact CE1-CD2 4.16Å; V7-L33 HydrophobicContact CG1-CB 4.12Å; V7-L33 HydrophobicContact CG2-CB 4.08Å; C9-L33 PolarHBondContact O-N 3.09Å; V10-L33 CarbonylContact C-O 3.56Å; V10-L33 WeakPolarHBondContact CA-O 3.34Å; V10-L33 HydrophobicContact CG2-CB 4.37Å; V10-L33 HydrophobicContact CG2-CD2 4.41Å; I11-L33 PolarHBondContact N-O 3.29Å; L33-I35 HydrophobicContact CD1-CG2 3.92Å; L33-I35 HydrophobicContact CD2-CG2 4.38Å; L33-I35 HydrophobicContact CG-CG2 3.92Å; L33-T405 HydrophobicContact CD1-CG2 3.85Å; L33-L473 HydrophobicContact CD2-CD1 3.85Å; L33-I479 HydrophobicContact CD2-CB 4.47Å; L33-I479 HydrophobicContact CD2-CD1 4.04Å; L33-I479 HydrophobicContact CD2-CG1 3.71Å; L33-I479 HydrophobicContact CD2-CG2 4.25Å
34	H	98.1	Very high	93.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.7	-177.7	-163.2	175.6	0	0	0	110.2	I11 G13 S22 I32 T404 T405 F406 C407	I11-H34 WeakPolarHBondContact CG2-NE2 3.33Å; I11-H34 WeakPolarHBondContact O-CA 3.46Å; G13-H34 PolarHBondContact O-CD2 2.79Å; G13-H34 PolarHBondContact O-NE2 3.11Å; S22-H34 WeakPolarHBondContact CB-ND1 3.33Å; S22-H34 PolarHBondContact OG-ND1 3.11Å; I32-H34 HydrophobicContact CG2-CB 4.39Å; H34-T404 HydrophobicContact CB-CG2 3.72Å; H34-T405 PolarHBondContact N-O 2.79Å; H34-F406 HydrophobicContact CB-CD1 3.85Å; H34-F406 HydrophobicContact CB-CE1 3.58Å; H34-F406 HydrophobicContact CB-CG 4.49Å; H34-F406 HydrophobicContact CB-CZ 3.98Å; H34-F406 AromaticContact CG-CE1 3.52Å; H34-F406 AromaticContact ND1-CE1 3.23Å; H34-F406 WeakPolarHBondContact ND1-CE1 3.28Å; H34-F406 AromaticContact ND1-CZ 3.58Å; H34-F406 VanDerWaalsContact O-CA 3.26Å; H34-F406 WeakPolarHBondContact O-CA 3.42Å; H34-C407 PolarHBondContact O-N 3.33Å
35	I	97.4	Very high	93.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	161.4	-175.8	67.2	-179.7	0	0	0	111.4	I11 D12 G13 L33 C407 C410 V412 L473	I11-I35 WeakPolarHBondContact O-CG1 3.33Å; I11-I35 PolarHBondContact O-N 3.28Å; D12-I35 HydrophobicContact CB-CD1 4.32Å; D12-I35 HydrophobicContact CB-CG1 3.97Å; G13-I35 PolarHBondContact N-O 3.47Å; L33-I35 HydrophobicContact CD1-CG2 3.92Å; L33-I35 HydrophobicContact CD2-CG2 4.38Å; L33-I35 HydrophobicContact CG-CG2 3.92Å; I35-C407 VanDerWaalsContact CA-O 3.23Å; I35-C407 WeakPolarHBondContact CA-O 3.42Å; I35-C407 WeakPolarHBondContact CB-O 3.02Å; I35-C407 HydrophobicContact CG2-CB 4.02Å; I35-C410 HydrophobicContact CB-CB 4.29Å; I35-C410 HydrophobicContact CG2-CB 4.4Å; I35-V412 HydrophobicContact CD1-CG2 4.03Å; I35-L473 HydrophobicContact CD1-CD2 3.66Å
36	D	96	Very high	93.5	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.011	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	138.8	169.9	-158.1	-59.8	0	0	0	109.8	T14 N38 C407 L408 G409 C410	T14-D36 WeakPolarHBondContact CB-OD2 3.41Å; T14-D36 HydrophobicContact CG2-CB 3.79Å; T14-D36 PolarHBondContact N-OD2 3.48Å; T14-D36 PolarHBondContact OG1-OD2 3.24Å; D36-N38 PolarHBondContact O-N 3.46Å; D36-N38 VanDerWaalsContact OD1-CB 3.29Å; D36-N38 WeakPolarHBondContact OD1-CB 3.43Å; D36-N38 PolarHBondContact OD1-N 3.5Å; D36-N38 PolarHBondContact OD1-ND2 2.88Å; D36-C407 PolarHBondContact N-O 2.84Å; D36-C407 VanDerWaalsContact N-O 3.14Å; D36-L408 HydrophobicContact CB-CD2 3.69Å; D36-L408 CarbonylContact O-C 3.57Å; D36-G409 PolarHBondContact O-N 2.96Å; D36-C410 CarbonylContact C-O 3.6Å; D36-C410 PolarHBondContact N-O 2.78Å; D36-C410 PolarHBondContact O-N 2.99Å
37	R	93.8	Very high	93.7	Very high	52 Å²	52	24.1 Å²	24.1	20%	0.196	13%	0.132	C	C	.	.	S	Bend	trans	-62	-29.3	174	65.5	-179.6	53.8	-163.3	-15.2	113	C410 K411 E489 C490	R37-C410 PolarHBondContact N-O 2.94Å; R37-K411 HydrophobicContact CB-CB 3.9Å; R37-K411 HydrophobicContact CB-CD 4.41Å; R37-E489 VanDerWaalsContact CZ-O 3.24Å; R37-E489 PolarHBondContact NH1-O 2.84Å; R37-C490 PolarHBondContact NH2-O 3.29Å
38	N	93.5	Very high	94	Very high	38 Å²	38	23.8 Å²	23.8	20%	0.203	13%	0.13	C	C	.	.	S	Bend	trans	-79	158.2	-177.7	-58.8	-60.4	0	0	0	110	D36 Y40 L408 G409	D36-N38 PolarHBondContact O-N 3.46Å; D36-N38 VanDerWaalsContact OD1-CB 3.29Å; D36-N38 WeakPolarHBondContact OD1-CB 3.43Å; D36-N38 PolarHBondContact OD1-N 3.5Å; D36-N38 PolarHBondContact OD1-ND2 2.88Å; N38-Y40 HydrophobicContact CB-CD1 4.1Å; N38-Y40 HydrophobicContact CB-CD2 3.96Å; N38-Y40 HydrophobicContact CB-CE1 3.96Å; N38-Y40 HydrophobicContact CB-CE2 3.82Å; N38-Y40 HydrophobicContact CB-CG 4.11Å; N38-Y40 PolarHBondContact O-N 2.84Å; N38-L408 WeakPolarHBondContact O-CB 3.4Å; N38-G409 PolarHBondContact O-N 2.89Å
39	A	93.2	Very high	94.4	Very high	89 Å²	89	26.4 Å²	26.4	74%	0.736	14%	0.137	S	C	*	.	S	Bend	trans	-82.1	8.4	171.8	0	0	0	0	0	112.7
40	Y	94.5	Very high	94.7	Very high	60 Å²	60	25.9 Å²	25.9	24%	0.235	13%	0.131	C	C	.	.	S	Bend	trans	-141.1	162.2	-175.9	55.1	-103.1	0	0	0	110.1	N38 A46 L48	N38-Y40 HydrophobicContact CB-CD1 4.1Å; N38-Y40 HydrophobicContact CB-CD2 3.96Å; N38-Y40 HydrophobicContact CB-CE1 3.96Å; N38-Y40 HydrophobicContact CB-CE2 3.82Å; N38-Y40 HydrophobicContact CB-CG 4.11Å; N38-Y40 PolarHBondContact O-N 2.84Å; Y40-A46 HydrophobicContact CD2-CB 3.48Å; Y40-A46 VanDerWaalsContact CD2-CB 3.48Å; Y40-A46 HydrophobicContact CE2-CB 3.55Å; Y40-L48 HydrophobicContact CD1-CD2 3.62Å; Y40-L48 HydrophobicContact CD2-CD2 3.95Å; Y40-L48 HydrophobicContact CE1-CD1 4.48Å; Y40-L48 HydrophobicContact CE1-CD2 3.95Å; Y40-L48 HydrophobicContact CE2-CD2 4.26Å; Y40-L48 HydrophobicContact CG-CD2 3.61Å
41	Y	95.3	Very high	94.9	Very high	63 Å²	63	28.1 Å²	28.1	25%	0.247	15%	0.147	C	C	.	.	S	Bend	trans	-86.6	158.2	177.5	-66.7	-83.7	0	0	0	112.6	T14 A46 Q393 C396 F406 L408	T14-Y41 HydrophobicContact CG2-CD1 3.7Å; T14-Y41 HydrophobicContact CG2-CE1 4.11Å; T14-Y41 VanDerWaalsContact OG1-CA 3.28Å; T14-Y41 WeakPolarHBondContact OG1-CA 3.41Å; Y41-A46 WeakPolarHBondContact O-CB 3.39Å; Y41-Q393 HydrophobicContact CD2-CG 3.83Å; Y41-Q393 HydrophobicContact CG-CG 3.84Å; Y41-C396 HydrophobicContact CD1-CB 4.23Å; Y41-C396 HydrophobicContact CE1-CB 4.09Å; Y41-F406 HydrophobicContact CE1-CD1 4.06Å; Y41-F406 HydrophobicContact CE1-CE1 4.33Å; Y41-L408 HydrophobicContact CD1-CD2 4.04Å; Y41-L408 HydrophobicContact CD2-CD1 4.06Å; Y41-L408 HydrophobicContact CE1-CD2 3.87Å; Y41-L408 HydrophobicContact CE1-CG 4.39Å; Y41-L408 HydrophobicContact CE2-CD1 3.71Å; Y41-L408 HydrophobicContact CE2-CD2 4.5Å; Y41-L408 HydrophobicContact CE2-CG 4.41Å; Y41-L408 HydrophobicContact CG-CD2 4.4Å
42	G	93.1	Very high	94.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.01	15%	0.151	C	C	.	.	S	Bend	trans	99.6	-5.3	164.2	0	0	0	0	0	115.8	T14 V44 L45 T392	T14-G42 VanDerWaalsContact O-CA 3.23Å; T14-G42 WeakPolarHBondContact O-CA 3.46Å; T14-G42 PolarHBondContact O-N 2.83Å; T14-G42 PolarHBondContact OG1-N 2.98Å; G42-V44 PolarHBondContact O-N 3.3Å; G42-L45 WeakPolarHBondContact O-CA 3.41Å; G42-L45 WeakPolarHBondContact O-CB 3.49Å; G42-L45 PolarHBondContact O-N 2.83Å; G42-T392 WeakPolarHBondContact CA-OG1 3.46Å
43	G	90.9	Very high	94.9	Very high	6 Å²	6	28.8 Å²	28.8	6%	0.062	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	54.6	-124	-177.2	0	0	0	0	0	111.4	L45 A46	G43-L45 VanDerWaalsContact C-N 3.3Å; G43-L45 PolarHBondContact O-N 2.84Å; G43-A46 VanDerWaalsContact O-CB 3.26Å; G43-A46 WeakPolarHBondContact O-CB 3.26Å; G43-A46 PolarHBondContact O-N 2.92Å
44	V	90.5	Very high	94.8	Very high	8 Å²	8	30.2 Å²	30.2	5%	0.048	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-77.1	-8.7	175	-58.3	0	0	0	0	114.6	G42 A46 I203 V204 E489 V621 L624 P651	G42-V44 PolarHBondContact O-N 3.3Å; V44-A46 VanDerWaalsContact C-N 3.33Å; V44-I203 WeakPolarHBondContact O-CB 3.4Å; V44-I203 WeakPolarHBondContact O-CG2 3.45Å; V44-V204 PolarHBondContact O-N 2.96Å; V44-E489 HydrophobicContact CG1-CG 4.41Å; V44-V621 HydrophobicContact CB-CG1 3.97Å; V44-V621 HydrophobicContact CG1-CG1 4.01Å; V44-V621 HydrophobicContact CG2-CG1 4.48Å; V44-L624 HydrophobicContact CG2-CD1 4.27Å; V44-P651 HydrophobicContact CG2-CG 3.29Å
45	L	92.4	Very high	94.6	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-88	4.8	167.5	-72.5	178.7	0	0	0	112.9	L16 G42 G43 V204 K206 S388 G389 T392 P651	L16-L45 HydrophobicContact CB-CD1 3.84Å; G42-L45 WeakPolarHBondContact O-CA 3.41Å; G42-L45 WeakPolarHBondContact O-CB 3.49Å; G42-L45 PolarHBondContact O-N 2.83Å; G43-L45 VanDerWaalsContact C-N 3.3Å; G43-L45 PolarHBondContact O-N 2.84Å; L45-V204 HydrophobicContact CD2-CB 4.44Å; L45-K206 HydrophobicContact CD2-CG 3.77Å; L45-S388 CarbonylContact O-C 3.4Å; L45-G389 WeakPolarHBondContact O-CA 3.27Å; L45-G389 PolarHBondContact O-N 3.13Å; L45-T392 HydrophobicContact CB-CG2 4.44Å; L45-T392 HydrophobicContact CD1-CG2 4.47Å; L45-P651 HydrophobicContact CD1-CB 4.23Å; L45-P651 HydrophobicContact CD1-CG 4.49Å; L45-P651 HydrophobicContact CD2-CB 3.82Å; L45-P651 HydrophobicContact CD2-CG 4.03Å; L45-P651 HydrophobicContact CG-CB 3.96Å; L45-P651 HydrophobicContact CG-CG 3.87Å
46	A	95.4	Very high	94.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.			trans	-61.6	142.8	-178.8	0	0	0	0	0	112.9	Y40 Y41 G43 V44 L48 I203	Y40-A46 HydrophobicContact CD2-CB 3.48Å; Y40-A46 VanDerWaalsContact CD2-CB 3.48Å; Y40-A46 HydrophobicContact CE2-CB 3.55Å; Y41-A46 WeakPolarHBondContact O-CB 3.39Å; G43-A46 VanDerWaalsContact O-CB 3.26Å; G43-A46 WeakPolarHBondContact O-CB 3.26Å; G43-A46 PolarHBondContact O-N 2.92Å; V44-A46 VanDerWaalsContact C-N 3.33Å; A46-L48 HydrophobicContact CB-CD2 4.22Å; A46-I203 HydrophobicContact CB-CD1 4.01Å; A46-I203 PolarHBondContact O-N 3.08Å
47	S	96.9	Very high	94.3	Very high	16 Å²	16	37.8 Å²	37.8	11%	0.112	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.5	162.1	-25.8	0	0	0	0	108.1	D202 Y386 G387 S388 G389	S47-D202 WeakPolarHBondContact CB-OD1 3.43Å; S47-D202 PolarHBondContact OG-OD1 3.18Å; S47-Y386 VanDerWaalsContact CB-O 3.31Å; S47-Y386 WeakPolarHBondContact CB-O 3.25Å; S47-Y386 PolarHBondContact OG-O 3.03Å; S47-G387 VanDerWaalsContact OG-C 3.27Å; S47-G387 WeakPolarHBondContact OG-CA 3.45Å; S47-S388 PolarHBondContact OG-N 3.28Å; S47-G389 WeakPolarHBondContact OG-CA 3.41Å; S47-G389 PolarHBondContact OG-N 3.15Å
48	L	96.8	Very high	94.1	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.4	-178.3	-59.9	-178.4	0	0	0	110.8	Y40 A46 E52 F53 L56 I201 I203	Y40-L48 HydrophobicContact CD1-CD2 3.62Å; Y40-L48 HydrophobicContact CD2-CD2 3.95Å; Y40-L48 HydrophobicContact CE1-CD1 4.48Å; Y40-L48 HydrophobicContact CE1-CD2 3.95Å; Y40-L48 HydrophobicContact CE2-CD2 4.26Å; Y40-L48 HydrophobicContact CG-CD2 3.61Å; A46-L48 HydrophobicContact CB-CD2 4.22Å; L48-E52 HydrophobicContact CB-CB 4.25Å; L48-F53 HydrophobicContact CB-CB 4.1Å; L48-F53 HydrophobicContact CB-CD2 4.3Å; L48-F53 HydrophobicContact CD1-CD2 4.31Å; L48-L56 HydrophobicContact CD1-CB 4.46Å; L48-L56 HydrophobicContact CD1-CD2 4Å; L48-I201 PolarHBondContact N-O 2.66Å; L48-I201 PolarHBondContact O-N 3.28Å; L48-I203 HydrophobicContact CD1-CD1 4.13Å; L48-I203 HydrophobicContact CD1-CG1 4.31Å; L48-I203 HydrophobicContact CG-CD1 4.49Å
49	R	96	Very high	93.7	Very high	94 Å²	94	42.1 Å²	42.1	36%	0.355	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	149.3	169.6	-61.9	-66	-177	-162.5	-20.1	109.4	P51 E52 F53 L198 H199 D200	R49-P51 VanDerWaalsContact C-CD 3.43Å; R49-P51 VanDerWaalsContact C-N 3.33Å; R49-P51 VanDerWaalsContact O-N 3.1Å; R49-E52 PolarHBondContact N-OE2 2.65Å; R49-E52 WeakPolarHBondContact O-CB 3.21Å; R49-E52 PolarHBondContact O-N 3.15Å; R49-F53 PolarHBondContact O-N 2.94Å; R49-L198 PolarHBondContact NH1-O 3.47Å; R49-H199 WeakPolarHBondContact CA-O 3.23Å; R49-D200 VanDerWaalsContact CD-OD1 3.28Å; R49-D200 WeakPolarHBondContact CD-OD1 3.37Å; R49-D200 VanDerWaalsContact CZ-CG 3.43Å; R49-D200 IonicContact CZ-OD1 3.38Å; R49-D200 IonicContact CZ-OD2 2.72Å; R49-D200 IonicContact NE-OD1 3.13Å; R49-D200 PolarHBondContact NE-OD1 3.15Å; R49-D200 VanDerWaalsContact NE-OD1 3.16Å; R49-D200 IonicContact NH1-OD1 2.71Å; R49-D200 PolarHBondContact NH1-OD1 3.02Å; R49-D200 VanDerWaalsContact NH1-OD1 3.12Å; R49-D200 IonicContact NH1-OD2 3.61Å; R49-D200 PolarHBondContact NH1-OD2 3.43Å; R49-D200 IonicContact NH2-OD1 2.7Å; R49-D200 PolarHBondContact NH2-OD1 3.16Å; R49-D200 IonicContact NH2-OD2 2.76Å; R49-D200 PolarHBondContact NH2-OD2 2.99Å
50	F	95.6	Very high	92.5	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-47.2	-44.5	-175.7	-179.2	-98	0	0	0	115.2	E52 F53 E54 W93 R193 V196 H199 I201 I510 W615	F50-E52 PolarHBondContact O-N 3.23Å; F50-F53 PolarHBondContact O-N 2.78Å; F50-E54 WeakPolarHBondContact O-CB 3.43Å; F50-E54 PolarHBondContact O-N 3Å; F50-W93 HydrophobicContact CE1-CH2 4.22Å; F50-W93 HydrophobicContact CE1-CZ2 4.28Å; F50-W93 HydrophobicContact CZ-CH2 4.03Å; F50-W93 HydrophobicContact CZ-CZ2 4.03Å; F50-R193 HydrophobicContact CE1-CG 4.25Å; F50-V196 HydrophobicContact CB-CG2 3.94Å; F50-V196 WeakPolarHBondContact CB-O 3.38Å; F50-V196 HydrophobicContact CD1-CG2 3.7Å; F50-V196 HydrophobicContact CD2-CG2 3.8Å; F50-V196 HydrophobicContact CE1-CG2 4.14Å; F50-V196 HydrophobicContact CE2-CG2 4.23Å; F50-V196 HydrophobicContact CG-CG2 3.51Å; F50-V196 HydrophobicContact CZ-CG2 4.38Å; F50-H199 PolarHBondContact N-O 2.85Å; F50-I201 HydrophobicContact CB-CD1 4.23Å; F50-I201 HydrophobicContact CD2-CD1 3.69Å; F50-I201 HydrophobicContact CG-CD1 4.46Å; F50-I510 HydrophobicContact CD2-CD1 4.03Å; F50-I510 HydrophobicContact CE2-CD1 3.56Å; F50-I510 HydrophobicContact CZ-CD1 4.21Å; F50-W615 AromaticContact CE2-CD2 3.94Å; F50-W615 HydrophobicContact CE2-CD2 3.94Å; F50-W615 AromaticContact CE2-CE3 3.99Å; F50-W615 HydrophobicContact CE2-CE3 3.99Å; F50-W615 HydrophobicContact CE2-CH2 4.14Å; F50-W615 HydrophobicContact CE2-CZ2 4.11Å; F50-W615 HydrophobicContact CE2-CZ3 4.09Å; F50-W615 HydrophobicContact CZ-CD2 4.18Å; F50-W615 HydrophobicContact CZ-CG 4.45Å; F50-W615 HydrophobicContact CZ-CZ2 4.43Å
51	P	94.7	Very high	91.1	Very high	63 Å²	63	47.1 Å²	47.1	41%	0.409	24%	0.235	S	C	.	.	H	α-helix	trans	-63.6	-37.5	178.1	-22.2	34.6	0	0	0	113.9	R49 K55 R197	R49-P51 VanDerWaalsContact C-CD 3.43Å; R49-P51 VanDerWaalsContact C-N 3.33Å; R49-P51 VanDerWaalsContact O-N 3.1Å; P51-K55 WeakPolarHBondContact O-CB 3.46Å; P51-K55 PolarHBondContact O-N 2.96Å; P51-R197 HydrophobicContact CG-CG 3.87Å
52	E	95.3	Very high	89.2	Confident	105 Å²	105	46.6 Å²	46.6	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-71.2	-39	177.7	-64.6	170.6	168.7	0	0	110.6	L48 R49 F50 K55 L56	L48-E52 HydrophobicContact CB-CB 4.25Å; R49-E52 PolarHBondContact N-OE2 2.65Å; R49-E52 WeakPolarHBondContact O-CB 3.21Å; R49-E52 PolarHBondContact O-N 3.15Å; F50-E52 PolarHBondContact O-N 3.23Å; E52-K55 WeakPolarHBondContact O-CB 3.49Å; E52-K55 PolarHBondContact O-N 3.32Å; E52-L56 PolarHBondContact O-N 2.88Å
53	F	96.4	Very high	87.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-45.1	174.7	-167.4	-99.3	0	0	0	112.1	L48 R49 F50 K55 L56 L57 I201 V508 W615 F619	L48-F53 HydrophobicContact CB-CB 4.1Å; L48-F53 HydrophobicContact CB-CD2 4.3Å; L48-F53 HydrophobicContact CD1-CD2 4.31Å; R49-F53 PolarHBondContact O-N 2.94Å; F50-F53 PolarHBondContact O-N 2.78Å; F53-K55 VanDerWaalsContact C-N 3.29Å; F53-K55 PolarHBondContact O-N 2.8Å; F53-L56 WeakPolarHBondContact O-CB 3.12Å; F53-L56 PolarHBondContact O-N 2.87Å; F53-L57 HydrophobicContact CD1-CD1 4.12Å; F53-L57 HydrophobicContact CE1-CD1 3.8Å; F53-L57 HydrophobicContact CE1-CG 4.35Å; F53-L57 WeakPolarHBondContact O-CG 3.43Å; F53-L57 PolarHBondContact O-N 2.86Å; F53-L57 VanDerWaalsContact O-N 3.14Å; F53-I201 HydrophobicContact CB-CD1 4.45Å; F53-I201 HydrophobicContact CD1-CD1 4.14Å; F53-I201 HydrophobicContact CD1-CG2 3.96Å; F53-I201 HydrophobicContact CD2-CB 4.06Å; F53-I201 HydrophobicContact CD2-CG2 3.71Å; F53-I201 HydrophobicContact CE1-CG2 3.81Å; F53-I201 HydrophobicContact CE2-CB 4.39Å; F53-I201 HydrophobicContact CE2-CG2 3.57Å; F53-I201 HydrophobicContact CG-CB 4.11Å; F53-I201 HydrophobicContact CG-CD1 4.32Å; F53-I201 HydrophobicContact CG-CG2 3.89Å; F53-I201 HydrophobicContact CZ-CG2 3.6Å; F53-V508 HydrophobicContact CE1-CB 4.13Å; F53-V508 HydrophobicContact CE1-CG2 3.95Å; F53-V508 HydrophobicContact CZ-CB 4.35Å; F53-V508 HydrophobicContact CZ-CG2 3.66Å; F53-W615 HydrophobicContact CD1-CH2 4.03Å; F53-W615 AromaticContact CE1-CH2 3.95Å; F53-W615 HydrophobicContact CE1-CH2 3.95Å; F53-F619 HydrophobicContact CE1-CE1 4.34Å; F53-F619 HydrophobicContact CE2-CE1 4.27Å; F53-F619 HydrophobicContact CE2-CZ 4.13Å; F53-F619 HydrophobicContact CZ-CD1 4.41Å; F53-F619 AromaticContact CZ-CE1 3.49Å; F53-F619 HydrophobicContact CZ-CE1 3.49Å; F53-F619 VanDerWaalsContact CZ-CE1 3.49Å; F53-F619 AromaticContact CZ-CZ 3.77Å; F53-F619 HydrophobicContact CZ-CZ 3.77Å
54	E	94.7	Very high	85.3	Confident	30 Å²	30	54.2 Å²	54.2	14%	0.14	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-37.9	174.9	-170.1	-177.1	-146.6	0	0	111.4	F50 L57 S58 W93 R193	F50-E54 WeakPolarHBondContact O-CB 3.43Å; F50-E54 PolarHBondContact O-N 3Å; E54-L57 PolarHBondContact O-N 2.78Å; E54-S58 PolarHBondContact O-N 2.81Å; E54-S58 PolarHBondContact O-OG 2.97Å; E54-W93 WeakPolarHBondContact OE1-CZ2 3.28Å; E54-W93 PolarHBondContact OE1-NE1 3.05Å; E54-R193 VanDerWaalsContact CD-NH2 3.3Å; E54-R193 IonicContact OE1-CZ 2.7Å; E54-R193 IonicContact OE1-NH1 3.86Å; E54-R193 IonicContact OE1-NH2 2.67Å; E54-R193 PolarHBondContact OE1-NH2 3.4Å; E54-R193 IonicContact OE2-CZ 3.22Å; E54-R193 IonicContact OE2-NH1 2.89Å; E54-R193 PolarHBondContact OE2-NH1 3.11Å; E54-R193 IonicContact OE2-NH2 3.57Å; E54-R193 PolarHBondContact OE2-NH2 2.89Å
55	K	93.6	Very high	83.2	Confident	133 Å²	133	60.9 Å²	60.9	58%	0.578	33%	0.33	S	S	*	.	H	α-helix	trans	-62.2	-43.3	173.3	-173.4	-179.1	179.4	-177.5	0	111.7	P51 E52 F53 L57 S58 Q59	P51-K55 WeakPolarHBondContact O-CB 3.46Å; P51-K55 PolarHBondContact O-N 2.96Å; E52-K55 WeakPolarHBondContact O-CB 3.49Å; E52-K55 PolarHBondContact O-N 3.32Å; F53-K55 VanDerWaalsContact C-N 3.29Å; F53-K55 PolarHBondContact O-N 2.8Å; K55-L57 VanDerWaalsContact C-N 3.28Å; K55-L57 PolarHBondContact O-N 2.81Å; K55-S58 WeakPolarHBondContact CA-OG 3.28Å; K55-S58 PolarHBondContact O-N 2.98Å; K55-S58 PolarHBondContact O-OG 2.89Å; K55-S58 VanDerWaalsContact O-OG 3.08Å; K55-Q59 WeakPolarHBondContact O-CG 3Å; K55-Q59 PolarHBondContact O-N 2.73Å
56	L	92.8	Very high	81.3	Confident	19 Å²	19	69.7 Å²	69.7	10%	0.099	37%	0.368	C	S	.	.	H	α-helix	trans	-56	-44.5	175.7	177.7	71.5	0	0	0	111.3	L48 E52 F53 K89 I203	L48-L56 HydrophobicContact CD1-CB 4.46Å; L48-L56 HydrophobicContact CD1-CD2 4Å; E52-L56 PolarHBondContact O-N 2.88Å; F53-L56 WeakPolarHBondContact O-CB 3.12Å; F53-L56 PolarHBondContact O-N 2.87Å; L56-K89 WeakPolarHBondContact O-CD 3.49Å; L56-K89 PolarHBondContact O-NZ 3.08Å; L56-K89 VanDerWaalsContact O-NZ 3.08Å; L56-I203 HydrophobicContact CD2-CD1 4.06Å; L56-I203 HydrophobicContact CD2-CG1 4.24Å
57	L	95	Very high	79.2	Confident	9 Å²	9	72.4 Å²	72.4	5%	0.047	39%	0.387	C	S	.	.	H	α-helix	trans	-70.1	-30.1	-180	-64.1	-179.3	0	0	0	113.8	F53 E54 K55 K89 W615 F619	F53-L57 HydrophobicContact CD1-CD1 4.12Å; F53-L57 HydrophobicContact CE1-CD1 3.8Å; F53-L57 HydrophobicContact CE1-CG 4.35Å; F53-L57 WeakPolarHBondContact O-CG 3.43Å; F53-L57 PolarHBondContact O-N 2.86Å; F53-L57 VanDerWaalsContact O-N 3.14Å; E54-L57 PolarHBondContact O-N 2.78Å; K55-L57 VanDerWaalsContact C-N 3.28Å; K55-L57 PolarHBondContact O-N 2.81Å; L57-K89 HydrophobicContact CD2-CB 4.35Å; L57-K89 HydrophobicContact CD2-CG 4.44Å; L57-K89 WeakPolarHBondContact O-CB 3.49Å; L57-W615 HydrophobicContact CD1-CH2 3.77Å; L57-W615 HydrophobicContact CD1-CZ2 3.89Å; L57-F619 HydrophobicContact CD2-CB 4.04Å; L57-F619 HydrophobicContact CD2-CD1 3.61Å; L57-F619 HydrophobicContact CD2-CE1 4.4Å; L57-F619 HydrophobicContact CD2-CG 4.04Å
58	S	90.6	Very high	77.4	Confident	85 Å²	85	77.4 Å²	77.4	59%	0.594	41%	0.412	S	S	*	.	H	α-helix	trans	-88.3	-15.4	-179.5	54.7	0	0	0	0	114.5	E54 K55 I60	E54-S58 PolarHBondContact O-N 2.81Å; E54-S58 PolarHBondContact O-OG 2.97Å; K55-S58 WeakPolarHBondContact CA-OG 3.28Å; K55-S58 PolarHBondContact O-N 2.98Å; K55-S58 PolarHBondContact O-OG 2.89Å; K55-S58 VanDerWaalsContact O-OG 3.08Å; S58-I60 PolarHBondContact O-N 2.84Å
59	Q	83.5	Confident	75.6	Confident	95 Å²	95	78 Å²	78	44%	0.444	42%	0.416	S	S	.	.	S	Bend	trans	-60.6	118.9	174.4	-80.6	168.8	1.6	0	0	110.9	K55 E61 K89	K55-Q59 WeakPolarHBondContact O-CG 3Å; K55-Q59 PolarHBondContact O-N 2.73Å; Q59-E61 PolarHBondContact O-N 3.17Å; Q59-K89 WeakPolarHBondContact O-CE 3.44Å; Q59-K89 PolarHBondContact O-NZ 3.46Å
60	I	68.5	Low	74	Confident	157 Å²	157	77.9 Å²	77.9	81%	0.805	42%	0.421	S	S	*	.			trans	-59.9	134.2	172.3	-58.5	173.4	0	0	0	108.2	S58 P62	S58-I60 PolarHBondContact O-N 2.84Å; I60-P62 WeakPolarHBondContact O-CD 3.41Å; I60-P62 VanDerWaalsContact O-N 3.08Å
61	E	65.3	Low	72.7	Confident	97 Å²	97	79.8 Å²	79.8	45%	0.453	43%	0.431	S	S	.	.			trans	-58	113.8	172.8	-68.7	178.2	-179.2	0	0	108	Q59 G63 T87 H88	Q59-E61 PolarHBondContact O-N 3.17Å; E61-G63 PolarHBondContact O-N 3.42Å; E61-G63 VanDerWaalsContact O-N 3.1Å; E61-T87 WeakPolarHBondContact OE1-CA 3.45Å; E61-H88 PolarHBondContact OE1-N 3.02Å
62	P	56.2	Low	71.4	Confident	53 Å²	53	83.2 Å²	83.2	34%	0.344	44%	0.44	S	S	.	.			trans	-55.1	125.1	172	22.5	-30.6	0	0	0	106.7	I60 C64 P84	I60-P62 WeakPolarHBondContact O-CD 3.41Å; I60-P62 VanDerWaalsContact O-N 3.08Å; P62-C64 PolarHBondContact O-N 3.43Å; P62-C64 VanDerWaalsContact O-N 3.09Å; P62-P84 HydrophobicContact CG-CG 3.78Å
63	G	52.4	Low	70	Confident	57 Å²	57	84.6 Å²	84.6	59%	0.588	45%	0.45	S	S	*	.			trans	-50.7	125.4	176.6	0	0	0	0	0	107.7	E61 H65	E61-G63 PolarHBondContact O-N 3.42Å; E61-G63 VanDerWaalsContact O-N 3.1Å; G63-H65 VanDerWaalsContact C-N 3.32Å; G63-H65 PolarHBondContact O-CD2 3.27Å; G63-H65 PolarHBondContact O-N 3.44Å
64	C	48.6	Very low	69.2	Low	110 Å²	110	89.4 Å²	89.4	74%	0.743	47%	0.471	S	S	*	.			trans	-52.6	97.1	-173.2	-178.4	0	0	0	0	109.4	P62 K66	P62-C64 PolarHBondContact O-N 3.43Å; P62-C64 VanDerWaalsContact O-N 3.09Å; C64-K66 PolarHBondContact O-N 2.9Å
65	H	47.2	Very low	68.7	Low	147 Å²	147	89 Å²	89	68%	0.681	47%	0.471	S	S	*	.			trans	-66.5	110.5	175	-78	-73.7	0	0	0	105.3	G63 S67	G63-H65 VanDerWaalsContact C-N 3.32Å; G63-H65 PolarHBondContact O-CD2 3.27Å; G63-H65 PolarHBondContact O-N 3.44Å; H65-S67 PolarHBondContact O-N 2.83Å
66	K	50.9	Low	68.4	Low	189 Å²	189	82.9 Å²	82.9	82%	0.822	45%	0.445	S	S	*	.			trans	-69.8	40.1	175.8	-61.6	-177.3	179.9	-179.6	0	111.5	C64 L68	C64-K66 PolarHBondContact O-N 2.9Å; K66-L68 PolarHBondContact O-N 2.69Å
67	S	52.6	Low	68.2	Low	57 Å²	57	84.4 Å²	84.4	40%	0.399	45%	0.453	S	S	.	.			trans	-68.3	91.7	164.4	56.6	0	0	0	0	106.4	H65 P69 G80	H65-S67 PolarHBondContact O-N 2.83Å; S67-P69 WeakPolarHBondContact O-CD 3.37Å; S67-G80 PolarHBondContact OG-O 2.8Å
68	L	58.8	Low	67.8	Low	121 Å²	121	84.1 Å²	84.1	63%	0.634	45%	0.452	S	S	*	.			trans	-58	121.3	169.1	-82.5	147.7	0	0	0	106.5	K66 I70	K66-L68 PolarHBondContact O-N 2.69Å; L68-I70 PolarHBondContact O-N 3.23Å
69	P	59.7	Low	67.5	Low	16 Å²	16	82.8 Å²	82.8	10%	0.104	44%	0.443	C	S	.	.			trans	-54	130.9	172.8	26.7	-39.4	0	0	0	108.7	S67 I71 D77 P492 W495	S67-P69 WeakPolarHBondContact O-CD 3.37Å; P69-I71 PolarHBondContact O-N 2.95Å; P69-D77 WeakPolarHBondContact CB-O 3.12Å; P69-P492 HydrophobicContact CB-CG 4.19Å; P69-P492 HydrophobicContact CG-CB 4.35Å; P69-P492 HydrophobicContact CG-CG 3.49Å; P69-P492 VanDerWaalsContact CG-CG 3.49Å; P69-W495 HydrophobicContact CB-CH2 4.37Å; P69-W495 HydrophobicContact CB-CZ2 3.84Å; P69-W495 VanDerWaalsContact CG-CE2 3.49Å; P69-W495 HydrophobicContact CG-CH2 4.14Å; P69-W495 HydrophobicContact CG-CZ2 3.2Å
70	I	62.5	Low	67.1	Low	90 Å²	90	80 Å²	80	46%	0.462	44%	0.439	S	S	.	.			trans	-93.7	105	-179.3	-47.1	177.3	0	0	0	106.9	L68 K72 D77	L68-I70 PolarHBondContact O-N 3.23Å; I70-K72 HydrophobicContact CG2-CD 4.29Å; I70-K72 HydrophobicContact CG2-CG 3.58Å; I70-K72 PolarHBondContact O-N 2.69Å; I70-D77 PolarHBondContact O-N 2.85Å
71	I	66.6	Low	67.3	Low	42 Å²	42	73 Å²	73	22%	0.215	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	107	160.3	-66.6	166.4	0	0	0	106.1	P69 L76 W495 K636 I640	P69-I71 PolarHBondContact O-N 2.95Å; I71-L76 HydrophobicContact CG1-CD1 3.97Å; I71-W495 HydrophobicContact CD1-CH2 4.05Å; I71-W495 HydrophobicContact CD1-CZ2 4.15Å; I71-W495 HydrophobicContact CG1-CH2 4.48Å; I71-K636 HydrophobicContact CD1-CB 3.48Å; I71-K636 VanDerWaalsContact CD1-CB 3.48Å; I71-K636 HydrophobicContact CD1-CD 3.72Å; I71-K636 HydrophobicContact CD1-CG 4.22Å; I71-I640 HydrophobicContact CB-CD1 4.41Å; I71-I640 HydrophobicContact CD1-CD1 4.22Å; I71-I640 HydrophobicContact CG1-CD1 4.13Å; I71-I640 HydrophobicContact CG2-CD1 3.45Å; I71-I640 VanDerWaalsContact CG2-CD1 3.45Å; I71-I640 HydrophobicContact CG2-CG1 4.49Å
72	K	67.4	Low	67.5	Low	136 Å²	136	74.3 Å²	74.3	59%	0.591	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	147	162.9	-62.1	-172.6	177.1	177.9	0	106.6	I70 K74 C75	I70-K72 HydrophobicContact CG2-CD 4.29Å; I70-K72 HydrophobicContact CG2-CG 3.58Å; I70-K72 PolarHBondContact O-N 2.69Å; K72-K74 PolarHBondContact O-N 2.98Å; K72-C75 PolarHBondContact N-O 3.32Å; K72-C75 VanDerWaalsContact N-O 3.12Å; K72-C75 PolarHBondContact O-N 2.7Å; K72-C75 VanDerWaalsContact O-O 3.08Å
73	D	67.1	Low	68	Low	133 Å²	133	72.7 Å²	72.7	71%	0.711	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-31.7	-28.5	-165.3	-61.1	-23.1	0	0	0	119.2
74	K	79.4	Confident	69.1	Low	101 Å²	101	73 Å²	73	44%	0.439	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	16.8	179.1	-58.9	-172.5	-176	-175	0	114.9	K72 Q416 Y417 N419	K72-K74 PolarHBondContact O-N 2.98Å; K74-Q416 WeakPolarHBondContact O-CA 3.31Å; K74-Y417 PolarHBondContact O-N 3.31Å; K74-N419 PolarHBondContact NZ-ND2 3.02Å; K74-N419 PolarHBondContact NZ-OD1 3.39Å
75	C	84.4	Confident	70.9	Confident	21 Å²	21	68.1 Å²	68.1	14%	0.142	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	122.3	-168.5	175	0	0	0	0	110.8	K72 K414 I415	K72-C75 PolarHBondContact N-O 3.32Å; K72-C75 VanDerWaalsContact N-O 3.12Å; K72-C75 PolarHBondContact O-N 2.7Å; K72-C75 VanDerWaalsContact O-O 3.08Å; C75-K414 WeakPolarHBondContact SG-CD 3.4Å; C75-K414 WeakPolarHBondContact SG-CE 3.5Å; C75-I415 CarbonylContact C-O 3.53Å; C75-I415 WeakPolarHBondContact CA-O 3.31Å
76	L	87.1	Confident	73	Confident	5 Å²	5	61.8 Å²	61.8	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.2	168.3	176.3	62.3	0	0	0	109	I71 L78 K414 I415 W495 L631	I71-L76 HydrophobicContact CG1-CD1 3.97Å; L76-L78 HydrophobicContact CD1-CD2 3.97Å; L76-L78 HydrophobicContact CD2-CD1 4.37Å; L76-L78 HydrophobicContact CD2-CD2 4.15Å; L76-L78 HydrophobicContact CD2-CG 4.38Å; L76-L78 HydrophobicContact CG-CD2 3.9Å; L76-L78 HydrophobicContact CG-CG 4.09Å; L76-K414 CarbonylContact O-C 3.51Å; L76-K414 VanDerWaalsContact O-CA 3.24Å; L76-K414 WeakPolarHBondContact O-CA 3.4Å; L76-I415 HydrophobicContact CB-CB 4.33Å; L76-I415 HydrophobicContact CD2-CD1 4.2Å; L76-I415 PolarHBondContact N-O 3.09Å; L76-I415 PolarHBondContact O-N 3.4Å; L76-W495 HydrophobicContact CD1-CH2 3.62Å; L76-W495 HydrophobicContact CD1-CZ3 4.26Å; L76-L631 HydrophobicContact CD2-CD2 3.8Å
77	D	87.9	Confident	75.1	Confident	51 Å²	51	54.1 Å²	54.1	27%	0.273	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.1	175.6	-169.4	-8.7	0	0	0	111.1	P69 I70 S79	P69-D77 WeakPolarHBondContact CB-O 3.12Å; I70-D77 PolarHBondContact O-N 2.85Å; D77-S79 VanDerWaalsContact OD1-CB 3.24Å; D77-S79 WeakPolarHBondContact OD1-CB 3.26Å; D77-S79 PolarHBondContact OD1-N 3.29Å; D77-S79 PolarHBondContact OD1-OG 3.03Å
78	L	87.9	Confident	77	Confident	3 Å²	3	55 Å²	55	2%	0.016	30%	0.296	C	S	.	.			trans	-114.8	4.8	-179.5	-57.8	-179.9	0	0	0	112.3	L76 G80 I81 V412 K413 L486	L76-L78 HydrophobicContact CD1-CD2 3.97Å; L76-L78 HydrophobicContact CD2-CD1 4.37Å; L76-L78 HydrophobicContact CD2-CD2 4.15Å; L76-L78 HydrophobicContact CD2-CG 4.38Å; L76-L78 HydrophobicContact CG-CD2 3.9Å; L76-L78 HydrophobicContact CG-CG 4.09Å; L78-G80 VanDerWaalsContact C-N 3.31Å; L78-G80 PolarHBondContact O-N 3.27Å; L78-I81 HydrophobicContact CB-CD1 3.86Å; L78-I81 HydrophobicContact CD2-CD1 3.42Å; L78-I81 VanDerWaalsContact CD2-CD1 3.42Å; L78-I81 HydrophobicContact CG-CD1 4.21Å; L78-I81 PolarHBondContact O-N 3.08Å; L78-I81 VanDerWaalsContact O-N 3.16Å; L78-V412 HydrophobicContact CD1-CB 4.45Å; L78-V412 HydrophobicContact CD1-CG1 4.07Å; L78-K413 CarbonylContact C-O 3.59Å; L78-K413 WeakPolarHBondContact CA-O 3.17Å; L78-K413 PolarHBondContact N-O 2.81Å; L78-L486 HydrophobicContact CD1-CD1 4.2Å
79	S	83.1	Confident	78.8	Confident	58 Å²	58	51 Å²	51	41%	0.406	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-33.1	-167.7	58.4	0	0	0	0	114.5	D77 K413	D77-S79 VanDerWaalsContact OD1-CB 3.24Å; D77-S79 WeakPolarHBondContact OD1-CB 3.26Å; D77-S79 PolarHBondContact OD1-N 3.29Å; D77-S79 PolarHBondContact OD1-OG 3.03Å; S79-K413 PolarHBondContact N-O 3.49Å
80	G	75	Confident	80.5	Confident	36 Å²	36	52.3 Å²	52.3	37%	0.371	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3.7	179.9	0	0	0	0	0	115.5	S67 L78 E82	S67-G80 PolarHBondContact OG-O 2.8Å; L78-G80 VanDerWaalsContact C-N 3.31Å; L78-G80 PolarHBondContact O-N 3.27Å; G80-E82 PolarHBondContact O-N 2.85Å
81	I	73.7	Confident	82.1	Confident	9 Å²	9	50.5 Å²	50.5	5%	0.046	28%	0.278	C	S	.	.			trans	-82.2	112.9	-175.2	-59.1	170.3	0	0	0	109.9	L78 S83 K411 P492	L78-I81 HydrophobicContact CB-CD1 3.86Å; L78-I81 HydrophobicContact CD2-CD1 3.42Å; L78-I81 VanDerWaalsContact CD2-CD1 3.42Å; L78-I81 HydrophobicContact CG-CD1 4.21Å; L78-I81 PolarHBondContact O-N 3.08Å; L78-I81 VanDerWaalsContact O-N 3.16Å; I81-S83 WeakPolarHBondContact CG2-OG 3Å; I81-K411 PolarHBondContact O-NZ 3.45Å; I81-P492 HydrophobicContact CD1-CB 4.27Å; I81-P492 HydrophobicContact CD1-CG 3.64Å; I81-P492 HydrophobicContact CG1-CB 4.38Å; I81-P492 HydrophobicContact CG1-CG 4.21Å
82	E	69.6	Low	83.5	Confident	125 Å²	125	51 Å²	51	58%	0.584	28%	0.279	S	S	*	.			trans	-122.5	87.2	162.9	-65.3	-174.1	175.2	0	0	106.6	G80 P84	G80-E82 PolarHBondContact O-N 2.85Å; E82-P84 WeakPolarHBondContact O-CD 3.46Å
83	S	66	Low	84.8	Confident	19 Å²	19	46.4 Å²	46.4	13%	0.133	26%	0.258	C	S	.	.			trans	-104.2	74.7	179.3	-60.7	0	0	0	0	109.7	I81 L85 L491 Y493	I81-S83 WeakPolarHBondContact CG2-OG 3Å; S83-L85 PolarHBondContact O-N 3.05Å; S83-L491 PolarHBondContact OG-O 3.27Å; S83-Y493 PolarHBondContact OG-N 2.95Å
84	P	74.9	Confident	86	Confident	63 Å²	63	41.3 Å²	41.3	41%	0.409	23%	0.23	S	C	.	.			trans	-64.6	112.8	167.8	26.6	-28.1	0	0	0	107.7	P62 E82 V86	P62-P84 HydrophobicContact CG-CG 3.78Å; E82-P84 WeakPolarHBondContact O-CD 3.46Å; P84-V86 VanDerWaalsContact C-N 3.33Å
85	L	87.3	Confident	86.6	Confident	9 Å²	9	36.7 Å²	36.7	5%	0.047	21%	0.21	C	C	.	.			trans	-81.5	-18.1	-178.4	-62.7	-170.2	0	0	0	112.6	S83 T87 E489 Y493 I496 P622 L624	S83-L85 PolarHBondContact O-N 3.05Å; L85-T87 PolarHBondContact O-N 3.16Å; L85-E489 HydrophobicContact CD1-CB 4.41Å; L85-E489 HydrophobicContact CD1-CG 3.8Å; L85-Y493 HydrophobicContact CD2-CD2 3.82Å; L85-Y493 HydrophobicContact CD2-CE2 4.45Å; L85-I496 HydrophobicContact CD1-CD1 4.31Å; L85-I496 HydrophobicContact CD2-CD1 4.09Å; L85-P622 HydrophobicContact CB-CG 3.8Å; L85-P622 HydrophobicContact CD1-CG 4.04Å; L85-P622 HydrophobicContact CG-CG 4.42Å; L85-P622 VanDerWaalsContact O-CD 3.32Å; L85-P622 WeakPolarHBondContact O-CD 3.48Å; L85-L624 HydrophobicContact CD1-CD1 3.71Å; L85-L624 HydrophobicContact CD1-CD2 3.97Å; L85-L624 HydrophobicContact CD1-CG 4.41Å
86	V	92.2	Very high	86.4	Confident	14 Å²	14	37.5 Å²	37.5	9%	0.085	22%	0.222	C	C	.	.			trans	-79.3	118.8	177.7	-173.8	0	0	0	0	109.8	P84 K89 F619 C620 V621	P84-V86 VanDerWaalsContact C-N 3.33Å; V86-K89 HydrophobicContact CB-CD 4.34Å; V86-K89 HydrophobicContact CG1-CD 3.85Å; V86-K89 HydrophobicContact CG1-CG 3.87Å; V86-F619 HydrophobicContact CG1-CB 3.73Å; V86-F619 HydrophobicContact CG1-CD2 3.68Å; V86-F619 HydrophobicContact CG1-CG 4.03Å; V86-C620 WeakPolarHBondContact CA-O 3.47Å; V86-V621 HydrophobicContact CG2-CG2 4.43Å
87	T	93.3	Very high	85.9	Confident	27 Å²	27	41.8 Å²	41.8	17%	0.166	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	174.8	-175.9	64.8	0	0	0	0	112	E61 L85 K89 W503 F619 C620	E61-T87 WeakPolarHBondContact OE1-CA 3.45Å; L85-T87 PolarHBondContact O-N 3.16Å; T87-K89 PolarHBondContact O-N 3.48Å; T87-K89 VanDerWaalsContact O-N 3.15Å; T87-W503 HydrophobicContact CG2-CZ3 4.43Å; T87-F619 CarbonylContact O-C 3.53Å; T87-F619 WeakPolarHBondContact O-CA 3.39Å; T87-C620 PolarHBondContact N-O 3.35Å; T87-C620 PolarHBondContact O-N 2.81Å; T87-C620 WeakPolarHBondContact OG1-CB 3.23Å
88	H	94.3	Very high	85.3	Confident	77 Å²	77	42.2 Å²	42.2	36%	0.356	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.8	35	174.6	-62.2	79.3	0	0	0	113.2	E61 C620	E61-H88 PolarHBondContact OE1-N 3.02Å; H88-C620 HydrophobicContact CB-CB 4.47Å
89	K	95.5	Very high	84	Confident	37 Å²	37	50.4 Å²	50.4	16%	0.161	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129.4	-174.9	-59.9	-179.2	-66.1	172	0	110.4	L56 L57 Q59 V86 T87 Y618 F619	L56-K89 WeakPolarHBondContact O-CD 3.49Å; L56-K89 PolarHBondContact O-NZ 3.08Å; L56-K89 VanDerWaalsContact O-NZ 3.08Å; L57-K89 HydrophobicContact CD2-CB 4.35Å; L57-K89 HydrophobicContact CD2-CG 4.44Å; L57-K89 WeakPolarHBondContact O-CB 3.49Å; Q59-K89 WeakPolarHBondContact O-CE 3.44Å; Q59-K89 PolarHBondContact O-NZ 3.46Å; V86-K89 HydrophobicContact CB-CD 4.34Å; V86-K89 HydrophobicContact CG1-CD 3.85Å; V86-K89 HydrophobicContact CG1-CG 3.87Å; T87-K89 PolarHBondContact O-N 3.48Å; T87-K89 VanDerWaalsContact O-N 3.15Å; K89-Y618 CarbonylContact C-O 3.53Å; K89-Y618 VanDerWaalsContact CA-O 3.27Å; K89-Y618 WeakPolarHBondContact CA-O 3.25Å; K89-F619 HydrophobicContact CG-CB 4.04Å
90	S	96.2	Very high	82.3	Confident	43 Å²	43	52.3 Å²	52.3	30%	0.301	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	159.7	169.8	60.9	0	0	0	0	110.9	G617 Y618	S90-G617 CarbonylContact O-C 3.58Å; S90-G617 WeakPolarHBondContact O-CA 3.29Å; S90-Y618 PolarHBondContact N-O 2.85Å; S90-Y618 PolarHBondContact O-N 3.1Å
91	S	95.8	Very high	80.7	Confident	52 Å²	52	59.2 Å²	59.2	36%	0.364	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.1	176.6	179.5	0	0	0	0	109.9	W615 A616	S91-W615 VanDerWaalsContact OG-CE2 3.25Å; S91-W615 VanDerWaalsContact OG-CZ2 3.3Å; S91-W615 WeakPolarHBondContact OG-CZ2 3.22Å; S91-W615 PolarHBondContact OG-NE1 3Å; S91-A616 CarbonylContact C-O 3.58Å; S91-A616 VanDerWaalsContact CA-O 3.31Å; S91-A616 WeakPolarHBondContact CA-O 3.5Å; S91-A616 PolarHBondContact OG-O 3.48Å
92	E	94.9	Very high	78.9	Confident	51 Å²	51	66.3 Å²	66.3	24%	0.238	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	128.5	-177.9	-174.7	170.4	-154.2	0	0	110.1	F94 K579 W615 A616	E92-F94 HydrophobicContact CB-CZ 4.31Å; E92-F94 HydrophobicContact CG-CD1 4.32Å; E92-F94 HydrophobicContact CG-CE1 3.76Å; E92-F94 HydrophobicContact CG-CE2 4.43Å; E92-F94 HydrophobicContact CG-CZ 3.83Å; E92-K579 IonicContact OE1-NZ 3.01Å; E92-K579 PolarHBondContact OE1-NZ 2.99Å; E92-K579 WeakPolarHBondContact OE2-CE 2.91Å; E92-K579 IonicContact OE2-NZ 2.75Å; E92-K579 PolarHBondContact OE2-NZ 2.93Å; E92-W615 WeakPolarHBondContact O-CA 3.42Å; E92-A616 PolarHBondContact N-O 2.99Å; E92-A616 PolarHBondContact O-N 3.19Å
93	W	94.7	Very high	77.4	Confident	40 Å²	40	64.5 Å²	64.5	15%	0.152	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.8	172.8	-74.6	88.9	0	0	0	108.6	F50 E54 R189 L192 R193 W615	F50-W93 HydrophobicContact CE1-CH2 4.22Å; F50-W93 HydrophobicContact CE1-CZ2 4.28Å; F50-W93 HydrophobicContact CZ-CH2 4.03Å; F50-W93 HydrophobicContact CZ-CZ2 4.03Å; E54-W93 WeakPolarHBondContact OE1-CZ2 3.28Å; E54-W93 PolarHBondContact OE1-NE1 3.05Å; W93-R189 VanDerWaalsContact CB-CZ 3.47Å; W93-R189 HydrophobicContact CD2-CG 4.22Å; W93-R189 HydrophobicContact CE3-CB 4.28Å; W93-R189 HydrophobicContact CE3-CG 3.66Å; W93-R189 HydrophobicContact CZ3-CB 4.16Å; W93-R189 HydrophobicContact CZ3-CG 4.04Å; W93-L192 HydrophobicContact CH2-CD2 4.42Å; W93-L192 HydrophobicContact CZ3-CB 4.33Å; W93-L192 HydrophobicContact CZ3-CD2 3.72Å; W93-L192 HydrophobicContact CZ3-CG 4.45Å; W93-R193 HydrophobicContact CH2-CG 3.73Å; W93-R193 HydrophobicContact CZ2-CG 4.26Å; W93-W615 AromaticContact CD1-CD1 3.95Å; W93-W615 AromaticContact CD2-CD1 3.45Å; W93-W615 VanDerWaalsContact CD2-CD1 3.45Å; W93-W615 HydrophobicContact CD2-CG 4.46Å; W93-W615 AromaticContact CE2-CD1 3.34Å; W93-W615 AromaticContact CE2-NE1 3.65Å; W93-W615 HydrophobicContact CE3-CB 4.4Å; W93-W615 AromaticContact CE3-CD1 3.86Å; W93-W615 AromaticContact CG-CD1 3.85Å; W93-W615 AromaticContact CZ2-CD1 3.64Å; W93-W615 AromaticContact CZ2-NE1 3.88Å; W93-W615 HydrophobicContact CZ3-CB 4.47Å; W93-W615 AromaticContact NE1-CD1 3.67Å; W93-W615 AromaticContact NE1-NE1 3.64Å
94	F	93.7	Very high	75.8	Confident	27 Å²	27	71.5 Å²	71.5	12%	0.118	40%	0.395	C	S	.	.			trans	-92	-5.3	174.7	-56.8	-74	0	0	0	112.3	E92 Q592 M613 L614 A616	E92-F94 HydrophobicContact CB-CZ 4.31Å; E92-F94 HydrophobicContact CG-CD1 4.32Å; E92-F94 HydrophobicContact CG-CE1 3.76Å; E92-F94 HydrophobicContact CG-CE2 4.43Å; E92-F94 HydrophobicContact CG-CZ 3.83Å; F94-Q592 HydrophobicContact CD1-CB 4.26Å; F94-Q592 HydrophobicContact CD1-CG 3.95Å; F94-Q592 HydrophobicContact CE1-CG 3.92Å; F94-M613 WeakPolarHBondContact CB-O 3.5Å; F94-M613 HydrophobicContact CD2-CB 3.69Å; F94-M613 VanDerWaalsContact CD2-O 3.28Å; F94-M613 WeakPolarHBondContact CD2-O 3.26Å; F94-M613 HydrophobicContact CE1-CE 4.49Å; F94-M613 HydrophobicContact CE2-CB 3.68Å; F94-M613 HydrophobicContact CE2-CE 4.26Å; F94-M613 WeakPolarHBondContact CG-O 3.46Å; F94-M613 HydrophobicContact CZ-CB 4.48Å; F94-M613 HydrophobicContact CZ-CE 4.01Å; F94-L614 PolarHBondContact N-O 3.01Å; F94-A616 HydrophobicContact CE2-CB 3.81Å; F94-A616 HydrophobicContact CZ-CB 4.29Å
95	L	90.3	Very high	73.8	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.021	41%	0.407	C	S	.	.	S	Bend	trans	-86.3	143.6	171	-58.6	179.6	0	0	0	110.7	W187 S188 R189 L192 Y593 L614	L95-W187 HydrophobicContact CD1-CB 3.9Å; L95-W187 HydrophobicContact CD2-CB 3.95Å; L95-W187 WeakPolarHBondContact CD2-O 3.33Å; L95-S188 WeakPolarHBondContact CD1-O 3.48Å; L95-R189 HydrophobicContact CB-CG 3.85Å; L95-R189 PolarHBondContact O-NE 3.45Å; L95-R189 PolarHBondContact O-NH2 3.11Å; L95-L192 HydrophobicContact CD1-CB 4.03Å; L95-L192 HydrophobicContact CD1-CD2 3.98Å; L95-Y593 HydrophobicContact CD2-CD1 3.4Å; L95-Y593 VanDerWaalsContact CD2-CD1 3.4Å; L95-Y593 HydrophobicContact CD2-CE1 3.47Å; L95-Y593 VanDerWaalsContact CD2-CE1 3.47Å; L95-Y593 HydrophobicContact CD2-CG 3.92Å; L95-L614 HydrophobicContact CD1-CB 4.45Å; L95-L614 HydrophobicContact CD2-CD2 4.02Å; L95-L614 HydrophobicContact CG-CB 4.41Å
96	G	80.6	Confident	71.2	Confident	38 Å²	38	80.2 Å²	80.2	39%	0.392	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-56.3	157.7	170.9	0	0	0	0	0	112.2	R189	G96-R189 WeakPolarHBondContact O-CG 3.22Å; G96-R189 PolarHBondContact O-NE 2.96Å
97	C	76.2	Confident	68.2	Low	95 Å²	95	85.5 Å²	85.5	64%	0.642	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-66.6	138.8	170.8	-66.1	0	0	0	0	109	E99	C97-E99 PolarHBondContact O-N 3.03Å; C97-E99 VanDerWaalsContact O-N 3.15Å
98	D	76.7	Confident	65.3	Low	60 Å²	60	92.7 Å²	92.7	32%	0.321	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-62.1	119.8	173.1	-59	-24	0	0	0	107.2	S100 S188 R189 S190	D98-S100 PolarHBondContact O-N 3.15Å; D98-S188 VanDerWaalsContact OD1-CB 3.27Å; D98-S188 WeakPolarHBondContact OD1-CB 3Å; D98-R189 PolarHBondContact OD1-N 3.48Å; D98-S190 WeakPolarHBondContact OD2-CB 3.29Å; D98-S190 PolarHBondContact OD2-N 2.87Å; D98-S190 PolarHBondContact OD2-OG 3.45Å
99	E	60.1	Low	62.3	Low	174 Å²	174	92.9 Å²	92.9	81%	0.813	52%	0.518	S	S	*	.			trans	-64.2	105.8	172.4	-70.1	-162.5	164.5	0	0	107.3	C97 F101	C97-E99 PolarHBondContact O-N 3.03Å; C97-E99 VanDerWaalsContact O-N 3.15Å; E99-F101 VanDerWaalsContact C-N 3.33Å; E99-F101 PolarHBondContact O-N 2.87Å
100	S	48.4	Very low	59.1	Low	99 Å²	99	99.9 Å²	99.9	69%	0.692	55%	0.551	S	S	*	*			trans	-64.2	95.5	172.8	52.5	0	0	0	0	108.5	D98 D102	D98-S100 PolarHBondContact O-N 3.15Å; S100-D102 PolarHBondContact O-N 2.83Å
101	F	40.8	Very low	55.9	Low	181 Å²	181	105.5 Å²	105.5	79%	0.794	58%	0.578	S	S	*	*			trans	-67.2	91.9	146.3	-90.2	-92.9	0	0	0	106.2	E99 S103	E99-F101 VanDerWaalsContact C-N 3.33Å; E99-F101 PolarHBondContact O-N 2.87Å; F101-S103 PolarHBondContact O-N 2.8Å
102	D	35.7	Very low	52.5	Low	158 Å²	158	108.7 Å²	108.7	85%	0.845	60%	0.6	S	S	*	*			trans	-61.9	81.8	159.6	-95.5	-21.1	0	0	0	107.5	S100	S100-D102 PolarHBondContact O-N 2.83Å
103	S	37.5	Very low	49.4	Very low	86 Å²	86	110.8 Å²	110.8	60%	0.601	62%	0.621	S	S	*	*			trans	-114.1	100.8	155.9	58.5	0	0	0	0	106.6	F101 D105	F101-S103 PolarHBondContact O-N 2.8Å; S103-D105 PolarHBondContact O-N 2.94Å
104	H	33.9	Very low	46	Very low	167 Å²	167	116.3 Å²	116.3	77%	0.773	65%	0.653	S	S	*	*			trans	-39	105.5	154.7	-85.7	-74.2	0	0	0	109.4	D106	H104-D106 IonicContact CE1-OD2 2.69Å; H104-D106 IonicContact ND1-OD2 3.19Å; H104-D106 PolarHBondContact ND1-OD2 3.22Å; H104-D106 VanDerWaalsContact ND1-OD2 3.07Å
105	D	32.1	Very low	43	Very low	125 Å²	125	120.9 Å²	120.9	67%	0.668	68%	0.683	S	S	*	*			trans	-122.2	57.9	154.5	-114.5	-25.9	0	0	0	106.7	S103 N107	S103-D105 PolarHBondContact O-N 2.94Å; D105-N107 PolarHBondContact O-N 3.41Å; D105-N107 PolarHBondContact OD1-ND2 3.03Å
106	D	32.2	Very low	39.8	Very low	129 Å²	129	126.7 Å²	126.7	69%	0.69	72%	0.724	S	S	*	*			trans	-72.6	71.1	158.8	-71.2	-51.2	0	0	0	107.7	H104	H104-D106 IonicContact CE1-OD2 2.69Å; H104-D106 IonicContact ND1-OD2 3.19Å; H104-D106 PolarHBondContact ND1-OD2 3.22Å; H104-D106 VanDerWaalsContact ND1-OD2 3.07Å
107	N	29.7	Very low	37.2	Very low	126 Å²	126	135.9 Å²	135.9	67%	0.674	75%	0.747	S	S	*	*			trans	-116.3	27.9	176.4	-87.3	-38.4	0	0	0	113	D105	D105-N107 PolarHBondContact O-N 3.41Å; D105-N107 PolarHBondContact OD1-ND2 3.03Å
108	D	31.8	Very low	34.8	Very low	177 Å²	177	140.9 Å²	140.9	95%	0.947	76%	0.758	S	S	*	*			trans	-104.2	37.6	166.6	-74.4	-29.1	0	0	0	112
109	A	31	Very low	32.3	Very low	82 Å²	82	144 Å²	144	68%	0.678	78%	0.779	S	S	*	*			trans	-130.6	50.3	178.6	0	0	0	0	0	113.2
110	E	28.8	Very low	30.6	Very low	183 Å²	183	143 Å²	143	86%	0.855	78%	0.779	S	S	*	*			trans	-134.4	84.3	164.5	-76.1	-163.5	164.5	0	0	111.3
111	N	28.4	Very low	29.4	Very low	162 Å²	162	145.1 Å²	145.1	87%	0.866	78%	0.783	S	S	*	*			trans	-169.1	61.5	141.3	-102	-25	0	0	0	110.7
112	S	25.9	Very low	28.8	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	79%	0.787	S	S	*	*			trans	-112.5	60.4	170	49.1	0	0	0	0	109.9
113	S	28.2	Very low	28.3	Very low	96 Å²	96	142.2 Å²	142.2	67%	0.671	78%	0.784	S	S	*	*			trans	-103.6	96	166.8	60	0	0	0	0	110.9
114	N	25.3	Very low	28	Very low	155 Å²	155	144.1 Å²	144.1	83%	0.829	80%	0.795	S	S	*	*			trans	36.7	85.9	146	-63.8	-23.1	0	0	0	118.4
115	V	28.8	Very low	27.6	Very low	124 Å²	124	141.6 Å²	141.6	75%	0.752	80%	0.795	S	S	*	*			trans	-127.1	88.4	148	-176	0	0	0	0	108.7	R117	V115-R117 HydrophobicContact CG1-CB 4.45Å; V115-R117 PolarHBondContact O-N 3.44Å
116	S	23.4	Very low	27.2	Very low	126 Å²	126	141.8 Å²	141.8	88%	0.881	80%	0.802	S	S	*	*			trans	-62.4	102.2	163.2	-59.6	0	0	0	0	108.9
117	R	27.8	Very low	27	Very low	231 Å²	231	144.7 Å²	144.7	87%	0.872	81%	0.813	S	S	*	*			trans	-131	124.8	164.8	-133	172	-174.9	157.4	0.4	110	V115	V115-R117 HydrophobicContact CG1-CB 4.45Å; V115-R117 PolarHBondContact O-N 3.44Å
118	K	25.1	Very low	26.8	Very low	200 Å²	200	142.4 Å²	142.4	87%	0.87	81%	0.812	S	S	*	*			trans	-46.3	134.5	-172.7	-76.9	169.2	167.9	177.3	0	113.4	N120	K118-N120 PolarHBondContact O-N 3.43Å
119	V	23	Very low	26.7	Very low	126 Å²	126	142.6 Å²	142.6	76%	0.764	81%	0.812	S	S	*	*			trans	-49.4	112.9	162.4	178.6	0	0	0	0	109.6
120	N	25.4	Very low	26.4	Very low	152 Å²	152	143.1 Å²	143.1	81%	0.813	81%	0.811	S	S	*	*			trans	-114.9	122.5	154.4	-84.4	-6.3	0	0	0	106.7	K118 D122	K118-N120 PolarHBondContact O-N 3.43Å; N120-D122 PolarHBondContact O-N 3.12Å
121	N	23.8	Very low	26.6	Very low	144 Å²	144	139 Å²	139	77%	0.77	80%	0.802	S	S	*	*			trans	-62.7	124.7	176.5	-63.9	-32.3	0	0	0	109.7
122	D	27.2	Very low	26.7	Very low	165 Å²	165	137.8 Å²	137.8	88%	0.882	80%	0.796	S	S	*	*			trans	-139.5	133.3	151.4	-87.1	-38.4	0	0	0	109.4	N120	N120-D122 PolarHBondContact O-N 3.12Å
123	S	25.8	Very low	27.3	Very low	113 Å²	113	138.6 Å²	138.6	79%	0.79	79%	0.789	S	S	*	*			trans	-62.8	157.1	-168.7	-61.3	0	0	0	0	114	S125	S123-S125 PolarHBondContact O-N 2.06Å
124	P	30.5	Very low	27.7	Very low	126 Å²	126	140.9 Å²	140.9	82%	0.818	79%	0.792	S	S	*	*			trans	-76.6	119.1	-161.2	30.6	-32.8	0	0	0	111.8	T126	P124-T126 PolarHBondContact O-N 2.88Å
125	S	25.6	Very low	28.2	Very low	113 Å²	113	139 Å²	139	79%	0.79	79%	0.786	S	S	*	*			trans	-67.8	110.6	171.2	54.2	0	0	0	0	110.3	S123 M127	S123-S125 PolarHBondContact O-N 2.06Å; S125-M127 PolarHBondContact O-N 3.39Å
126	T	24.3	Very low	28.5	Very low	130 Å²	130	138.6 Å²	138.6	80%	0.798	78%	0.776	S	S	*	*			trans	-38.6	110.2	163.7	-45	0	0	0	0	111.3	P124 A128	P124-T126 PolarHBondContact O-N 2.88Å; T126-A128 PolarHBondContact O-N 2.85Å
127	M	26.4	Very low	29.1	Very low	190 Å²	190	139 Å²	139	94%	0.936	76%	0.764	S	S	*	*			trans	-70.9	85.9	165	-77.4	-157.6	177.7	0	0	108.4	S125 L129	S125-M127 PolarHBondContact O-N 3.39Å; M127-L129 PolarHBondContact O-N 3.35Å
128	A	26.2	Very low	29.5	Very low	78 Å²	78	135.1 Å²	135.1	65%	0.645	76%	0.756	S	S	*	*			trans	-67.9	124.2	161.5	0	0	0	0	0	107.9	T126 S130	T126-A128 PolarHBondContact O-N 2.85Å; A128-S130 PolarHBondContact O-N 2.99Å
129	L	29.3	Very low	30	Very low	180 Å²	180	131.8 Å²	131.8	94%	0.942	74%	0.743	S	S	*	*			trans	-53	97.2	174.3	-71.9	153.7	0	0	0	109.7	M127 S131	M127-L129 PolarHBondContact O-N 3.35Å; L129-S131 PolarHBondContact O-N 3.2Å
130	S	25.9	Very low	31	Very low	94 Å²	94	129.3 Å²	129.3	66%	0.657	73%	0.725	S	S	*	*			trans	-86.8	109	-179.1	58.2	0	0	0	0	110.9	A128 D132	A128-S130 PolarHBondContact O-N 2.99Å; S130-D132 PolarHBondContact O-N 2.94Å
131	S	32.3	Very low	31.9	Very low	96 Å²	96	125 Å²	125	67%	0.671	71%	0.706	S	S	*	*			trans	57.2	39.9	134.1	62.1	0	0	0	0	121.1	L129	L129-S131 PolarHBondContact O-N 3.2Å
132	D	31.3	Very low	32.8	Very low	137 Å²	137	122.6 Å²	122.6	73%	0.733	70%	0.697	S	S	*	*			trans	-92.4	1.7	164.4	-77.5	-22.7	0	0	0	114.1	S130 I134	S130-D132 PolarHBondContact O-N 2.94Å; D132-I134 VanDerWaalsContact C-N 3.26Å; D132-I134 PolarHBondContact O-N 2.79Å
133	I	38	Very low	33.9	Very low	135 Å²	135	118.3 Å²	118.3	69%	0.692	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-22.2	-177.2	-65.2	173.5	0	0	0	113	V135	I133-V135 PolarHBondContact O-N 2.71Å
134	I	36	Very low	35	Very low	143 Å²	143	117.6 Å²	117.6	73%	0.733	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-25	-173.6	-62.3	178.4	0	0	0	112.5	D132	D132-I134 VanDerWaalsContact C-N 3.26Å; D132-I134 PolarHBondContact O-N 2.79Å
135	V	35.9	Very low	36.2	Very low	115 Å²	115	115 Å²	115	70%	0.697	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-20.7	-175.4	-175.1	0	0	0	0	112.9	I133	I133-V135 PolarHBondContact O-N 2.71Å
136	Q	35.4	Very low	37.4	Very low	117 Å²	117	111.8 Å²	111.8	55%	0.547	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.2	-25.8	-174.3	-69.9	-178.6	-18.6	0	0	114.2	E138 H139	Q136-E138 VanDerWaalsContact C-N 3.31Å; Q136-E138 PolarHBondContact O-N 3.24Å; Q136-H139 PolarHBondContact O-N 3.48Å
137	H	36.2	Very low	38.4	Very low	135 Å²	135	108.3 Å²	108.3	63%	0.625	60%	0.599	S	S	*	*	H	α-helix	trans	-68.5	-27.2	-177.1	-133.3	-74.5	0	0	0	113.4	S141	H137-S141 PolarHBondContact O-N 2.87Å; H137-S141 PolarHBondContact O-OG 2.67Å
138	E	35.8	Very low	39.8	Very low	149 Å²	149	104.5 Å²	104.5	70%	0.696	58%	0.581	S	S	*	*	H	α-helix	trans	-68.6	-36.9	176.5	-87.1	-173	154.9	0	0	112.4	Q136 I140 T142	Q136-E138 VanDerWaalsContact C-N 3.31Å; Q136-E138 PolarHBondContact O-N 3.24Å; E138-I140 PolarHBondContact O-N 3.14Å; E138-T142 WeakPolarHBondContact O-CB 3.46Å; E138-T142 PolarHBondContact O-N 2.96Å; E138-T142 VanDerWaalsContact O-N 3.09Å; E138-T142 PolarHBondContact O-OG1 3.1Å
139	H	36.5	Very low	41	Very low	129 Å²	129	107.9 Å²	107.9	60%	0.597	58%	0.577	S	S	*	*	H	α-helix	trans	-66.7	-41.2	-177.3	-132.3	-86.3	0	0	0	111.5	Q136 T142 E143	Q136-H139 PolarHBondContact O-N 3.48Å; H139-T142 PolarHBondContact O-N 2.98Å; H139-E143 IonicContact CE1-OE1 3.24Å; H139-E143 IonicContact ND1-OE1 2.66Å; H139-E143 PolarHBondContact ND1-OE1 2.87Å; H139-E143 WeakPolarHBondContact O-CB 3Å; H139-E143 WeakPolarHBondContact O-CG 3.4Å; H139-E143 PolarHBondContact O-N 3.23Å
140	I	42.7	Very low	42.2	Very low	75 Å²	75	104.1 Å²	104.1	39%	0.385	55%	0.554	S	S	.	*	H	α-helix	trans	-72.2	-41	180	-61.2	171.1	0	0	0	111.5	E138 T142 E143 I144	E138-I140 PolarHBondContact O-N 3.14Å; I140-T142 PolarHBondContact O-N 3.1Å; I140-E143 PolarHBondContact O-N 3.28Å; I140-E143 VanDerWaalsContact O-N 3.14Å; I140-I144 HydrophobicContact CG2-CD1 3.73Å; I140-I144 HydrophobicContact CG2-CG1 4.1Å; I140-I144 WeakPolarHBondContact O-CG1 3.38Å; I140-I144 PolarHBondContact O-N 2.84Å
141	S	44.8	Very low	43.1	Very low	60 Å²	60	103.8 Å²	103.8	42%	0.42	55%	0.545	S	S	.	.	H	α-helix	trans	-59.6	-40	176.5	-54	0	0	0	0	110.7	H137 S145	H137-S141 PolarHBondContact O-N 2.87Å; H137-S141 PolarHBondContact O-OG 2.67Å; S141-S145 WeakPolarHBondContact O-CB 3.3Å; S141-S145 PolarHBondContact O-N 3.46Å; S141-S145 PolarHBondContact O-OG 3.34Å
142	T	42	Very low	43.5	Very low	94 Å²	94	101 Å²	101	58%	0.577	53%	0.531	S	S	*	.	H	α-helix	trans	-69.3	-38	176.3	-48.3	0	0	0	0	111.6	E138 H139 I140 S145 S146	E138-T142 WeakPolarHBondContact O-CB 3.46Å; E138-T142 PolarHBondContact O-N 2.96Å; E138-T142 VanDerWaalsContact O-N 3.09Å; E138-T142 PolarHBondContact O-OG1 3.1Å; H139-T142 PolarHBondContact O-N 2.98Å; I140-T142 PolarHBondContact O-N 3.1Å; T142-S145 CarbonylContact O-C 3.31Å; T142-S146 WeakPolarHBondContact O-CB 3.26Å; T142-S146 PolarHBondContact O-N 2.83Å
143	E	51.4	Low	44.2	Very low	75 Å²	75	98.9 Å²	98.9	35%	0.35	52%	0.517	S	S	.	.	H	α-helix	trans	-73.3	-46.4	179.4	-79.4	175.3	-156	0	0	113.3	H139 I140 S145 S146 V147	H139-E143 IonicContact CE1-OE1 3.24Å; H139-E143 IonicContact ND1-OE1 2.66Å; H139-E143 PolarHBondContact ND1-OE1 2.87Å; H139-E143 WeakPolarHBondContact O-CB 3Å; H139-E143 WeakPolarHBondContact O-CG 3.4Å; H139-E143 PolarHBondContact O-N 3.23Å; I140-E143 PolarHBondContact O-N 3.28Å; I140-E143 VanDerWaalsContact O-N 3.14Å; E143-S145 PolarHBondContact O-N 3.13Å; E143-S146 WeakPolarHBondContact CA-OG 3.22Å; E143-S146 WeakPolarHBondContact O-CA 3.32Å; E143-S146 WeakPolarHBondContact O-CB 3.37Å; E143-S146 PolarHBondContact O-N 2.97Å; E143-S146 PolarHBondContact O-OG 3.4Å; E143-V147 WeakPolarHBondContact O-CG2 3.39Å; E143-V147 PolarHBondContact O-N 3.49Å
144	I	49	Very low	44.3	Very low	99 Å²	99	98 Å²	98	51%	0.508	51%	0.51	S	S	.	.	H	α-helix	trans	-58.1	-43.3	171.8	-66.9	175	0	0	0	109.2	I140 S146 V147 I148	I140-I144 HydrophobicContact CG2-CD1 3.73Å; I140-I144 HydrophobicContact CG2-CG1 4.1Å; I140-I144 WeakPolarHBondContact O-CG1 3.38Å; I140-I144 PolarHBondContact O-N 2.84Å; I144-S146 VanDerWaalsContact C-N 3.32Å; I144-S146 PolarHBondContact O-N 3.15Å; I144-V147 PolarHBondContact O-N 3.1Å; I144-I148 HydrophobicContact CG2-CD1 3.7Å; I144-I148 HydrophobicContact CG2-CG1 4.39Å; I144-I148 WeakPolarHBondContact O-CB 3.44Å; I144-I148 VanDerWaalsContact O-CG1 3.24Å; I144-I148 WeakPolarHBondContact O-CG1 3.32Å; I144-I148 PolarHBondContact O-N 2.92Å
145	S	55.9	Low	44.4	Very low	71 Å²	71	99 Å²	99	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-63.1	-36.8	174	-62.1	0	0	0	0	112.4	S141 T142 E143 I148 R149	S141-S145 WeakPolarHBondContact O-CB 3.3Å; S141-S145 PolarHBondContact O-N 3.46Å; S141-S145 PolarHBondContact O-OG 3.34Å; T142-S145 CarbonylContact O-C 3.31Å; E143-S145 PolarHBondContact O-N 3.13Å; S145-I148 PolarHBondContact O-N 3.05Å; S145-R149 WeakPolarHBondContact O-CB 3.37Å; S145-R149 PolarHBondContact O-N 3.5Å
146	S	49.8	Very low	44.5	Very low	46 Å²	46	101.2 Å²	101.2	32%	0.322	51%	0.514	S	S	.	.	H	α-helix	trans	-66.6	-40.1	177.4	78.8	0	0	0	0	112	T142 E143 I144 R149 E150	T142-S146 WeakPolarHBondContact O-CB 3.26Å; T142-S146 PolarHBondContact O-N 2.83Å; E143-S146 WeakPolarHBondContact CA-OG 3.22Å; E143-S146 WeakPolarHBondContact O-CA 3.32Å; E143-S146 WeakPolarHBondContact O-CB 3.37Å; E143-S146 PolarHBondContact O-N 2.97Å; E143-S146 PolarHBondContact O-OG 3.4Å; I144-S146 VanDerWaalsContact C-N 3.32Å; I144-S146 PolarHBondContact O-N 3.15Å; S146-R149 PolarHBondContact O-N 3.38Å; S146-E150 PolarHBondContact O-N 2.76Å
147	V	46.2	Very low	44.5	Very low	57 Å²	57	104.2 Å²	104.2	35%	0.345	53%	0.525	S	S	.	.	H	α-helix	trans	-69.3	-42.2	176.3	174.8	0	0	0	0	110.5	E143 I144 R149 L151 P378	E143-V147 WeakPolarHBondContact O-CG2 3.39Å; E143-V147 PolarHBondContact O-N 3.49Å; I144-V147 PolarHBondContact O-N 3.1Å; V147-R149 VanDerWaalsContact C-N 3.33Å; V147-R149 PolarHBondContact O-N 3.05Å; V147-L151 WeakPolarHBondContact O-CG 3.47Å; V147-L151 PolarHBondContact O-N 3.26Å; V147-P378 HydrophobicContact CG1-CG 4.28Å
148	I	55.5	Low	44.4	Very low	109 Å²	109	102.3 Å²	102.3	56%	0.559	53%	0.527	S	S	*	.	H	α-helix	trans	-63.7	-39.6	174.3	-68.1	170.1	0	0	0	110.6	I144 S145 L151 G152	I144-I148 HydrophobicContact CG2-CD1 3.7Å; I144-I148 HydrophobicContact CG2-CG1 4.39Å; I144-I148 WeakPolarHBondContact O-CB 3.44Å; I144-I148 VanDerWaalsContact O-CG1 3.24Å; I144-I148 WeakPolarHBondContact O-CG1 3.32Å; I144-I148 PolarHBondContact O-N 2.92Å; S145-I148 PolarHBondContact O-N 3.05Å; I148-L151 PolarHBondContact O-N 3.43Å; I148-G152 PolarHBondContact O-N 2.92Å
149	R	51.7	Low	44.1	Very low	150 Å²	150	102.1 Å²	102.1	57%	0.566	53%	0.531	S	S	*	.	H	α-helix	trans	-69.3	-41.4	178.5	-170.7	178.4	68.3	101.6	-2.7	112.5	S145 S146 V147 L151 G152 E153	S145-R149 WeakPolarHBondContact O-CB 3.37Å; S145-R149 PolarHBondContact O-N 3.5Å; S146-R149 PolarHBondContact O-N 3.38Å; V147-R149 VanDerWaalsContact C-N 3.33Å; V147-R149 PolarHBondContact O-N 3.05Å; R149-L151 PolarHBondContact O-N 3.31Å; R149-G152 PolarHBondContact O-N 3.25Å; R149-G152 VanDerWaalsContact O-N 3.12Å; R149-E153 HydrophobicContact CG-CG 4.4Å; R149-E153 IonicContact CZ-OE1 3.39Å; R149-E153 IonicContact NE-OE1 3.98Å; R149-E153 IonicContact NH1-OE1 2.71Å; R149-E153 PolarHBondContact NH1-OE1 2.83Å; R149-E153 IonicContact NH1-OE2 3.95Å; R149-E153 PolarHBondContact O-N 3.1Å
150	E	54.5	Low	43.7	Very low	100 Å²	100	107.4 Å²	107.4	47%	0.467	55%	0.546	S	S	.	.	H	α-helix	trans	-56.9	-37.8	171.8	-81.6	-176.8	176.3	0	0	110.6	S146 E154 K521	S146-E150 PolarHBondContact O-N 2.76Å; E150-E154 WeakPolarHBondContact O-CG 3.49Å; E150-E154 PolarHBondContact O-N 3.36Å; E150-K521 IonicContact OE1-NZ 2.68Å; E150-K521 PolarHBondContact OE1-NZ 2.76Å; E150-K521 IonicContact OE2-NZ 3.55Å; E150-K521 PolarHBondContact OE2-NZ 3.48Å
151	L	44.4	Very low	42.9	Very low	88 Å²	88	110.9 Å²	110.9	46%	0.461	57%	0.565	S	S	.	*	H	α-helix	trans	-73.5	-34.5	175.6	-67.2	170.8	0	0	0	113.5	V147 I148 R149 Q155	V147-L151 WeakPolarHBondContact O-CG 3.47Å; V147-L151 PolarHBondContact O-N 3.26Å; I148-L151 PolarHBondContact O-N 3.43Å; R149-L151 PolarHBondContact O-N 3.31Å; L151-Q155 PolarHBondContact O-N 3.16Å
152	G	40.9	Very low	42	Very low	37 Å²	37	116 Å²	116	38%	0.381	58%	0.583	S	S	.	*	H	α-helix	trans	-67.9	-44.2	175.7	0	0	0	0	0	112.9	I148 R149 E154 Q155 E156	I148-G152 PolarHBondContact O-N 2.92Å; R149-G152 PolarHBondContact O-N 3.25Å; R149-G152 VanDerWaalsContact O-N 3.12Å; G152-E154 VanDerWaalsContact C-N 3.28Å; G152-E154 PolarHBondContact O-N 2.95Å; G152-Q155 PolarHBondContact O-N 3.46Å; G152-Q155 VanDerWaalsContact O-N 3.16Å; G152-E156 PolarHBondContact O-N 3.48Å
153	E	45.5	Very low	41.2	Very low	93 Å²	93	119.1 Å²	119.1	44%	0.435	59%	0.59	S	S	.	*	H	α-helix	trans	-69.7	-25.3	178	-70.3	179	-165.9	0	0	112.4	R149	R149-E153 HydrophobicContact CG-CG 4.4Å; R149-E153 IonicContact CZ-OE1 3.39Å; R149-E153 IonicContact NE-OE1 3.98Å; R149-E153 IonicContact NH1-OE1 2.71Å; R149-E153 PolarHBondContact NH1-OE1 2.83Å; R149-E153 IonicContact NH1-OE2 3.95Å; R149-E153 PolarHBondContact O-N 3.1Å
154	E	40.6	Very low	39.9	Very low	116 Å²	116	124.2 Å²	124.2	54%	0.542	61%	0.614	S	S	.	*	H	α-helix	trans	-73.4	-24.6	171.8	-79.8	-165.5	168	0	0	113.4	E150 G152 K280	E150-E154 WeakPolarHBondContact O-CG 3.49Å; E150-E154 PolarHBondContact O-N 3.36Å; G152-E154 VanDerWaalsContact C-N 3.28Å; G152-E154 PolarHBondContact O-N 2.95Å; E154-K280 IonicContact OE2-NZ 3.62Å; E154-K280 PolarHBondContact OE2-NZ 2.82Å
155	Q	38.4	Very low	38.7	Very low	163 Å²	163	126.6 Å²	126.6	76%	0.762	63%	0.628	S	S	*	*	H	α-helix	trans	-80.6	-31.3	175.4	-75.1	-163.4	-13.3	0	0	113.2	L151 G152	L151-Q155 PolarHBondContact O-N 3.16Å; G152-Q155 PolarHBondContact O-N 3.46Å; G152-Q155 VanDerWaalsContact O-N 3.16Å
156	E	37.2	Very low	37.1	Very low	162 Å²	162	129.4 Å²	129.4	76%	0.757	64%	0.642	S	S	*	*	H	α-helix	trans	-78.4	-21.7	-179.3	-71.3	-165.4	158.4	0	0	114.1	G152 S158 N159	G152-E156 PolarHBondContact O-N 3.48Å; E156-S158 PolarHBondContact O-N 2.85Å; E156-N159 PolarHBondContact O-N 2.87Å
157	K	36.2	Very low	36	Very low	180 Å²	180	133.3 Å²	133.3	78%	0.783	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-3.8	176.7	-79.7	-179.1	-180	170.6	0	114.5	N159	K157-N159 VanDerWaalsContact C-N 3.3Å; K157-N159 PolarHBondContact O-N 2.86Å
158	S	32.9	Very low	34.9	Very low	95 Å²	95	136.1 Å²	136.1	66%	0.664	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-3.4	174.2	104.9	0	0	0	0	114.4	E156	E156-S158 PolarHBondContact O-N 2.85Å
159	N	30.3	Very low	33.3	Very low	146 Å²	146	137.6 Å²	137.6	78%	0.781	70%	0.695	S	S	*	*	S	Bend	trans	-130.9	22.6	-170.5	-93.5	-6.1	0	0	0	117	E156 K157	E156-N159 PolarHBondContact O-N 2.87Å; K157-N159 VanDerWaalsContact C-N 3.3Å; K157-N159 PolarHBondContact O-N 2.86Å
160	R	28.4	Very low	31.9	Very low	239 Å²	239	136 Å²	136	90%	0.902	70%	0.702	S	S	*	*			trans	-125.6	91.7	168.2	-106.1	180	-172.1	-143.7	2.6	112.6
161	N	25.3	Very low	30.5	Very low	148 Å²	148	140.1 Å²	140.1	79%	0.791	72%	0.721	S	S	*	*			trans	-65.6	144.6	156	-79.8	-16.2	0	0	0	110.1
162	E	25.4	Very low	29.5	Very low	168 Å²	168	145.3 Å²	145.3	79%	0.785	74%	0.743	S	S	*	*			trans	91.2	131.7	146.3	-79.6	175.7	-149.9	0	0	121.4
163	H	25.6	Very low	28.7	Very low	159 Å²	159	153.3 Å²	153.3	74%	0.736	77%	0.767	S	S	*	*			trans	87.9	83	161.8	-75.2	70.5	0	0	0	118.5	N165	H163-N165 PolarHBondContact O-N 3.05Å
164	E	23.4	Very low	27.7	Very low	182 Å²	182	153.7 Å²	153.7	85%	0.85	78%	0.78	S	S	*	*			trans	-38.1	120.8	146.1	-70.3	174.2	140.5	0	0	111.3
165	N	25.2	Very low	27.2	Very low	150 Å²	150	155.3 Å²	155.3	80%	0.802	79%	0.793	S	S	*	*			trans	-122.9	104.2	158.4	-97.2	-29.4	0	0	0	107.9	H163 V167	H163-N165 PolarHBondContact O-N 3.05Å; N165-V167 PolarHBondContact O-N 2.98Å
166	V	22.7	Very low	26.8	Very low	130 Å²	130	154.7 Å²	154.7	79%	0.788	80%	0.795	S	S	*	*			trans	-61.9	107.3	170.4	175.2	0	0	0	0	107.9
167	V	26.5	Very low	26.4	Very low	128 Å²	128	151.6 Å²	151.6	78%	0.776	80%	0.796	S	S	*	*			trans	-96.9	115.9	169	177.6	0	0	0	0	108.3	N165	N165-V167 PolarHBondContact O-N 2.98Å
168	T	23.3	Very low	26.1	Very low	115 Å²	115	150 Å²	150	71%	0.706	80%	0.796	S	S	*	*			trans	-65.1	138	-177.6	37.7	0	0	0	0	113.4
169	V	21.3	Very low	26.1	Very low	141 Å²	141	154.6 Å²	154.6	86%	0.855	80%	0.804	S	S	*	*			trans	-79	121.5	175.1	174.8	0	0	0	0	110.6
170	T	21.6	Very low	26.1	Very low	117 Å²	117	154.8 Å²	154.8	72%	0.718	80%	0.804	S	S	*	*			trans	-168.8	125.6	163.4	33.9	0	0	0	0	104.6
171	E	25.4	Very low	26.6	Very low	186 Å²	186	148.3 Å²	148.3	87%	0.869	79%	0.791	S	S	*	*			cis	-153.5	141.2	27.7	-93	157.5	-175	0	0	108.9
172	Q	22.7	Very low	26.9	Very low	196 Å²	196	149.5 Å²	149.5	92%	0.916	79%	0.792	S	S	*	*			trans	-75.7	128	172	-69	170.9	-50.6	0	0	110
173	K	25.4	Very low	27.6	Very low	205 Å²	205	146.4 Å²	146.4	89%	0.891	79%	0.787	S	S	*	*			trans	-115.5	120.6	148.3	-84.6	-175.1	176.5	178.5	0	108
174	S	25	Very low	29	Very low	102 Å²	102	143.6 Å²	143.6	71%	0.713	77%	0.774	S	S	*	*			trans	-49.6	138.2	169.6	48.8	0	0	0	0	111.6
175	D	28.4	Very low	31	Very low	150 Å²	150	138.7 Å²	138.7	80%	0.802	75%	0.75	S	S	*	*			trans	-158.9	129.2	134.5	-83.5	-29.3	0	0	0	109.4
176	D	30.2	Very low	33.5	Very low	150 Å²	150	136 Å²	136	80%	0.802	74%	0.735	S	S	*	*			trans	57.4	93.9	158.8	-59.7	-26.7	0	0	0	121	D178	D176-D178 PolarHBondContact O-N 2.56Å; D176-D178 VanDerWaalsContact O-N 3.12Å
177	A	28.4	Very low	36.5	Very low	96 Å²	96	130.6 Å²	130.6	79%	0.793	70%	0.701	S	S	*	*			trans	-76.2	75.6	164.7	0	0	0	0	0	111.9
178	D	31.9	Very low	39.5	Very low	146 Å²	146	126.1 Å²	126.1	78%	0.781	68%	0.676	S	S	*	*			trans	-94.6	84.3	154.6	-85.9	-21.7	0	0	0	108.5	D176 I180	D176-D178 PolarHBondContact O-N 2.56Å; D176-D178 VanDerWaalsContact O-N 3.12Å; D178-I180 PolarHBondContact O-N 2.95Å
179	K	31.1	Very low	42.8	Very low	192 Å²	192	123.7 Å²	123.7	84%	0.835	65%	0.653	S	S	*	*			trans	-65.5	87	165.1	-77.6	-177.5	176.4	177.9	0	107.8	V181	K179-V181 VanDerWaalsContact C-N 3.26Å; K179-V181 PolarHBondContact O-N 3.12Å
180	I	32.1	Very low	46.1	Very low	150 Å²	150	119.8 Å²	119.8	77%	0.769	63%	0.632	S	S	*	*			trans	-61.1	93.9	166.5	-61.6	171.2	0	0	0	106.7	D178 Q182	D178-I180 PolarHBondContact O-N 2.95Å; I180-Q182 PolarHBondContact O-N 3.27Å
181	V	36.8	Very low	49.4	Very low	104 Å²	104	117.4 Å²	117.4	63%	0.63	61%	0.613	S	S	*	*			trans	-64.2	103.1	163.5	176.3	0	0	0	0	105.2	K179 C183 P600	K179-V181 VanDerWaalsContact C-N 3.26Å; K179-V181 PolarHBondContact O-N 3.12Å; V181-C183 VanDerWaalsContact C-N 3.27Å; V181-C183 PolarHBondContact O-N 3.29Å; V181-P600 HydrophobicContact CG1-CB 4.32Å
182	Q	33.1	Very low	52.6	Low	173 Å²	173	108.6 Å²	108.6	81%	0.808	57%	0.572	S	S	*	*			trans	-65.4	88	-179	-167.5	167	1.6	0	0	109.1	I180 Q184	I180-Q182 PolarHBondContact O-N 3.27Å; Q182-Q184 PolarHBondContact O-N 3.39Å
183	C	38.8	Very low	56	Low	103 Å²	103	103.9 Å²	103.9	70%	0.696	55%	0.546	S	S	*	.			trans	-62.1	115.5	174	-130.1	0	0	0	0	107.4	V181 K185	V181-C183 VanDerWaalsContact C-N 3.27Å; V181-C183 PolarHBondContact O-N 3.29Å; C183-K185 PolarHBondContact O-N 2.92Å
184	Q	54.8	Low	59.2	Low	99 Å²	99	97.1 Å²	97.1	46%	0.463	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-58.3	123.6	176.9	-69.9	-170.3	-53.1	0	0	108.5	Q182 L186	Q182-Q184 PolarHBondContact O-N 3.39Å; Q184-L186 PolarHBondContact O-N 3.3Å
185	K	66	Low	62.5	Low	79 Å²	79	92.3 Å²	92.3	34%	0.343	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-52.6	132.6	179.9	-172	-173.6	175.3	-166.6	0	110.5	C183 E191 D561	C183-K185 PolarHBondContact O-N 2.92Å; K185-E191 WeakPolarHBondContact CE-OE1 3.29Å; K185-E191 VanDerWaalsContact NZ-CD 3.3Å; K185-E191 IonicContact NZ-OE1 2.96Å; K185-E191 PolarHBondContact NZ-OE1 2.9Å; K185-E191 IonicContact NZ-OE2 3.66Å; K185-E191 PolarHBondContact NZ-OE2 3.2Å; K185-D561 WeakPolarHBondContact CD-OD2 3.38Å
186	L	77.7	Confident	65.6	Low	93 Å²	93	85.2 Å²	85.2	49%	0.487	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-77.4	129.9	168.1	-74.5	165	0	0	0	108.8	Q184 Y593 V598	Q184-L186 PolarHBondContact O-N 3.3Å; L186-Y593 VanDerWaalsContact CA-OH 3.29Å; L186-Y593 WeakPolarHBondContact CA-OH 3.49Å; L186-Y593 WeakPolarHBondContact CD2-OH 3.21Å; L186-V598 HydrophobicContact CD2-CG2 3.72Å; L186-V598 HydrophobicContact CG-CG2 4.48Å
187	W	86	Confident	68.7	Low	17 Å²	17	84.1 Å²	84.1	6%	0.064	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-92.7	132.7	179.9	-76.7	97.9	0	0	0	110.4	L95 E191 L192 A195 D561 L563 Y593 L614	L95-W187 HydrophobicContact CD1-CB 3.9Å; L95-W187 HydrophobicContact CD2-CB 3.95Å; L95-W187 WeakPolarHBondContact CD2-O 3.33Å; W187-E191 HydrophobicContact CE3-CB 4Å; W187-E191 HydrophobicContact CZ3-CB 4.29Å; W187-L192 HydrophobicContact CE3-CB 4.43Å; W187-L192 HydrophobicContact CE3-CD1 4.27Å; W187-L192 HydrophobicContact CZ3-CD1 4.5Å; W187-A195 HydrophobicContact CH2-CB 4.12Å; W187-A195 HydrophobicContact CZ3-CB 3.89Å; W187-D561 HydrophobicContact CZ2-CB 4.07Å; W187-L563 HydrophobicContact CH2-CD1 3.53Å; W187-L563 HydrophobicContact CH2-CD2 4.17Å; W187-L563 HydrophobicContact CH2-CG 3.86Å; W187-L563 HydrophobicContact CZ2-CD1 3.83Å; W187-L563 HydrophobicContact CZ2-CD2 3.57Å; W187-L563 HydrophobicContact CZ2-CG 3.63Å; W187-L563 HydrophobicContact CZ3-CD1 4.07Å; W187-Y593 PolarHBondContact N-OH 2.9Å; W187-L614 HydrophobicContact CD2-CD1 4.42Å; W187-L614 HydrophobicContact CG-CD1 4.12Å
188	S	89.1	Confident	71.6	Confident	35 Å²	35	84.9 Å²	84.9	25%	0.245	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-94	165.1	164	89.6	0	0	0	0	111.7	L95 D98 E191 L192	L95-S188 WeakPolarHBondContact CD1-O 3.48Å; D98-S188 VanDerWaalsContact OD1-CB 3.27Å; D98-S188 WeakPolarHBondContact OD1-CB 3Å; S188-E191 PolarHBondContact N-OE2 2.51Å; S188-E191 VanDerWaalsContact N-OE2 3.14Å; S188-E191 PolarHBondContact O-N 3.22Å; S188-E191 VanDerWaalsContact OG-CG 3.31Å; S188-E191 WeakPolarHBondContact OG-CG 3.39Å; S188-E191 PolarHBondContact OG-N 2.87Å; S188-E191 VanDerWaalsContact OG-N 3.11Å; S188-L192 PolarHBondContact O-N 3.45Å
189	R	92.4	Very high	74.5	Confident	63 Å²	63	79.2 Å²	79.2	24%	0.238	39%	0.391	C	S	.	.	H	α-helix	trans	-65.7	-43.4	177.8	-71.8	-173.3	-176.6	-175.4	1	111	W93 L95 G96 D98 E191 L192 R193	W93-R189 VanDerWaalsContact CB-CZ 3.47Å; W93-R189 HydrophobicContact CD2-CG 4.22Å; W93-R189 HydrophobicContact CE3-CB 4.28Å; W93-R189 HydrophobicContact CE3-CG 3.66Å; W93-R189 HydrophobicContact CZ3-CB 4.16Å; W93-R189 HydrophobicContact CZ3-CG 4.04Å; L95-R189 HydrophobicContact CB-CG 3.85Å; L95-R189 PolarHBondContact O-NE 3.45Å; L95-R189 PolarHBondContact O-NH2 3.11Å; G96-R189 WeakPolarHBondContact O-CG 3.22Å; G96-R189 PolarHBondContact O-NE 2.96Å; D98-R189 PolarHBondContact OD1-N 3.48Å; R189-E191 VanDerWaalsContact C-N 3.33Å; R189-E191 PolarHBondContact O-N 2.89Å; R189-L192 PolarHBondContact O-N 3.1Å; R189-R193 WeakPolarHBondContact O-CB 3.32Å; R189-R193 WeakPolarHBondContact O-CG 3.38Å; R189-R193 PolarHBondContact O-N 3.44Å
190	S	91.3	Very high	77.6	Confident	59 Å²	59	71.3 Å²	71.3	41%	0.413	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-41.3	176.9	-68.6	0	0	0	0	112.3	D98 N194	D98-S190 WeakPolarHBondContact OD2-CB 3.29Å; D98-S190 PolarHBondContact OD2-N 2.87Å; D98-S190 PolarHBondContact OD2-OG 3.45Å; S190-N194 WeakPolarHBondContact O-CB 3.33Å; S190-N194 VanDerWaalsContact O-CG 3.31Å; S190-N194 PolarHBondContact O-N 3.24Å; S190-N194 PolarHBondContact O-ND2 3.3Å; S190-N194 VanDerWaalsContact O-ND2 3.15Å
191	E	90.7	Very high	80.7	Confident	68 Å²	68	64.2 Å²	64.2	32%	0.318	32%	0.322	S	S	.	.	H	α-helix	trans	-63.2	-45.9	175.4	-73.3	-175.3	132.5	0	0	112	K185 W187 S188 R189 N194 A195	K185-E191 WeakPolarHBondContact CE-OE1 3.29Å; K185-E191 VanDerWaalsContact NZ-CD 3.3Å; K185-E191 IonicContact NZ-OE1 2.96Å; K185-E191 PolarHBondContact NZ-OE1 2.9Å; K185-E191 IonicContact NZ-OE2 3.66Å; K185-E191 PolarHBondContact NZ-OE2 3.2Å; W187-E191 HydrophobicContact CE3-CB 4Å; W187-E191 HydrophobicContact CZ3-CB 4.29Å; S188-E191 PolarHBondContact N-OE2 2.51Å; S188-E191 VanDerWaalsContact N-OE2 3.14Å; S188-E191 PolarHBondContact O-N 3.22Å; S188-E191 VanDerWaalsContact OG-CG 3.31Å; S188-E191 WeakPolarHBondContact OG-CG 3.39Å; S188-E191 PolarHBondContact OG-N 2.87Å; S188-E191 VanDerWaalsContact OG-N 3.11Å; R189-E191 VanDerWaalsContact C-N 3.33Å; R189-E191 PolarHBondContact O-N 2.89Å; E191-N194 PolarHBondContact O-N 3.47Å; E191-A195 WeakPolarHBondContact O-CB 3.43Å; E191-A195 PolarHBondContact O-N 3.43Å
192	L	93.7	Very high	83.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-48.1	178.6	-170.2	65.2	0	0	0	111.1	W93 L95 W187 S188 R189 N194 A195 V196 I510 L563 L614 W615	W93-L192 HydrophobicContact CH2-CD2 4.42Å; W93-L192 HydrophobicContact CZ3-CB 4.33Å; W93-L192 HydrophobicContact CZ3-CD2 3.72Å; W93-L192 HydrophobicContact CZ3-CG 4.45Å; L95-L192 HydrophobicContact CD1-CB 4.03Å; L95-L192 HydrophobicContact CD1-CD2 3.98Å; W187-L192 HydrophobicContact CE3-CB 4.43Å; W187-L192 HydrophobicContact CE3-CD1 4.27Å; W187-L192 HydrophobicContact CZ3-CD1 4.5Å; S188-L192 PolarHBondContact O-N 3.45Å; R189-L192 PolarHBondContact O-N 3.1Å; L192-N194 VanDerWaalsContact C-N 3.28Å; L192-N194 PolarHBondContact O-N 2.92Å; L192-A195 WeakPolarHBondContact O-CB 3.26Å; L192-A195 PolarHBondContact O-N 3.38Å; L192-A195 VanDerWaalsContact O-N 3.09Å; L192-V196 HydrophobicContact CD1-CG1 4.39Å; L192-V196 WeakPolarHBondContact O-CG2 3.5Å; L192-V196 PolarHBondContact O-N 2.97Å; L192-I510 HydrophobicContact CD1-CG2 3.88Å; L192-I510 HydrophobicContact CD2-CD1 4.45Å; L192-I510 HydrophobicContact CD2-CG2 4.36Å; L192-L563 HydrophobicContact CD1-CD1 3.63Å; L192-L563 HydrophobicContact CD1-CD2 4.15Å; L192-L614 HydrophobicContact CD1-CD1 3.72Å; L192-L614 HydrophobicContact CD2-CB 3.67Å; L192-L614 HydrophobicContact CD2-CD1 4.39Å; L192-W615 HydrophobicContact CD2-CB 4.09Å
193	R	94	Very high	86.5	Confident	98 Å²	98	51.1 Å²	51.1	37%	0.37	25%	0.254	S	S	.	.	H	α-helix	trans	-53.8	-45.9	176.8	-77.2	177.4	-178.4	-97.6	-11.6	111.4	F50 E54 W93 R189 R197	F50-R193 HydrophobicContact CE1-CG 4.25Å; E54-R193 VanDerWaalsContact CD-NH2 3.3Å; E54-R193 IonicContact OE1-CZ 2.7Å; E54-R193 IonicContact OE1-NH1 3.86Å; E54-R193 IonicContact OE1-NH2 2.67Å; E54-R193 PolarHBondContact OE1-NH2 3.4Å; E54-R193 IonicContact OE2-CZ 3.22Å; E54-R193 IonicContact OE2-NH1 2.89Å; E54-R193 PolarHBondContact OE2-NH1 3.11Å; E54-R193 IonicContact OE2-NH2 3.57Å; E54-R193 PolarHBondContact OE2-NH2 2.89Å; W93-R193 HydrophobicContact CH2-CG 3.73Å; W93-R193 HydrophobicContact CZ2-CG 4.26Å; R189-R193 WeakPolarHBondContact O-CB 3.32Å; R189-R193 WeakPolarHBondContact O-CG 3.38Å; R189-R193 PolarHBondContact O-N 3.44Å; R193-R197 WeakPolarHBondContact O-CA 3.46Å; R193-R197 WeakPolarHBondContact O-CB 3.04Å; R193-R197 PolarHBondContact O-N 3.22Å
194	N	92.6	Very high	89.1	Confident	63 Å²	63	46.4 Å²	46.4	34%	0.337	22%	0.222	S	C	.	.	H	α-helix	trans	-68.1	-37.4	179	-74	-31.5	0	0	0	112.3	S190 E191 L192 F558	S190-N194 WeakPolarHBondContact O-CB 3.33Å; S190-N194 VanDerWaalsContact O-CG 3.31Å; S190-N194 PolarHBondContact O-N 3.24Å; S190-N194 PolarHBondContact O-ND2 3.3Å; S190-N194 VanDerWaalsContact O-ND2 3.15Å; E191-N194 PolarHBondContact O-N 3.47Å; L192-N194 VanDerWaalsContact C-N 3.28Å; L192-N194 PolarHBondContact O-N 2.92Å; N194-F558 HydrophobicContact CB-CB 4.05Å; N194-F558 HydrophobicContact CB-CD1 4.11Å; N194-F558 HydrophobicContact CB-CD2 4.42Å; N194-F558 HydrophobicContact CB-CG 3.94Å
195	A	93.2	Very high	91	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-42	178.7	0	0	0	0	0	112.6	W187 E191 L192 N556 C559 L563	W187-A195 HydrophobicContact CH2-CB 4.12Å; W187-A195 HydrophobicContact CZ3-CB 3.89Å; E191-A195 WeakPolarHBondContact O-CB 3.43Å; E191-A195 PolarHBondContact O-N 3.43Å; L192-A195 WeakPolarHBondContact O-CB 3.26Å; L192-A195 PolarHBondContact O-N 3.38Å; L192-A195 VanDerWaalsContact O-N 3.09Å; A195-N556 PolarHBondContact O-ND2 3.07Å; A195-C559 HydrophobicContact CB-CB 3.77Å; A195-L563 HydrophobicContact CB-CD1 3.75Å
196	V	94.6	Very high	92.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-99.2	2.5	-176.3	-53.9	0	0	0	0	114.4	F50 L192 L198 H199 I510 V553 L563	F50-V196 HydrophobicContact CB-CG2 3.94Å; F50-V196 WeakPolarHBondContact CB-O 3.38Å; F50-V196 HydrophobicContact CD1-CG2 3.7Å; F50-V196 HydrophobicContact CD2-CG2 3.8Å; F50-V196 HydrophobicContact CE1-CG2 4.14Å; F50-V196 HydrophobicContact CE2-CG2 4.23Å; F50-V196 HydrophobicContact CG-CG2 3.51Å; F50-V196 HydrophobicContact CZ-CG2 4.38Å; L192-V196 HydrophobicContact CD1-CG1 4.39Å; L192-V196 WeakPolarHBondContact O-CG2 3.5Å; L192-V196 PolarHBondContact O-N 2.97Å; V196-L198 PolarHBondContact O-N 3.33Å; V196-L198 VanDerWaalsContact O-N 3.11Å; V196-H199 HydrophobicContact CB-CB 4.46Å; V196-H199 WeakPolarHBondContact O-CB 3.31Å; V196-H199 PolarHBondContact O-N 3.13Å; V196-I510 HydrophobicContact CB-CD1 4.43Å; V196-I510 HydrophobicContact CG1-CD1 4.13Å; V196-I510 HydrophobicContact CG1-CG2 4.29Å; V196-I510 HydrophobicContact CG2-CD1 3.9Å; V196-V553 HydrophobicContact CG1-CG1 4.38Å; V196-V553 HydrophobicContact CG1-CG2 4.17Å; V196-L563 HydrophobicContact CG1-CD1 4.05Å
197	R	93.6	Very high	93.1	Very high	127 Å²	127	33.7 Å²	33.7	48%	0.479	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-37.3	-173	-166.9	173	76.7	-179	5.7	113.8	P51 R193	P51-R197 HydrophobicContact CG-CG 3.87Å; R193-R197 WeakPolarHBondContact O-CA 3.46Å; R193-R197 WeakPolarHBondContact O-CB 3.04Å; R193-R197 PolarHBondContact O-N 3.22Å
198	L	90.9	Very high	93.4	Very high	113 Å²	113	32.9 Å²	32.9	59%	0.592	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	9.1	-179.2	-60.1	178.9	0	0	0	112.3	R49 V196	R49-L198 PolarHBondContact NH1-O 3.47Å; V196-L198 PolarHBondContact O-N 3.33Å; V196-L198 VanDerWaalsContact O-N 3.11Å
199	H	93.1	Very high	93.6	Very high	27 Å²	27	31.3 Å²	31.3	13%	0.125	15%	0.147	C	C	.	.			trans	-83.3	134.3	175.5	-162.2	76.3	0	0	0	110.3	R49 F50 V196 V565	R49-H199 WeakPolarHBondContact CA-O 3.23Å; F50-H199 PolarHBondContact N-O 2.85Å; V196-H199 HydrophobicContact CB-CB 4.46Å; V196-H199 WeakPolarHBondContact O-CB 3.31Å; V196-H199 PolarHBondContact O-N 3.13Å; H199-V565 VanDerWaalsContact CD2-CG2 3.48Å; H199-V565 WeakPolarHBondContact CD2-CG2 3.38Å
200	D	94.9	Very high	93.7	Very high	25 Å²	25	28.3 Å²	28.3	13%	0.134	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.8	175	-66.4	-57.2	0	0	0	110	R49	R49-D200 VanDerWaalsContact CD-OD1 3.28Å; R49-D200 WeakPolarHBondContact CD-OD1 3.37Å; R49-D200 VanDerWaalsContact CZ-CG 3.43Å; R49-D200 IonicContact CZ-OD1 3.38Å; R49-D200 IonicContact CZ-OD2 2.72Å; R49-D200 IonicContact NE-OD1 3.13Å; R49-D200 PolarHBondContact NE-OD1 3.15Å; R49-D200 VanDerWaalsContact NE-OD1 3.16Å; R49-D200 IonicContact NH1-OD1 2.71Å; R49-D200 PolarHBondContact NH1-OD1 3.02Å; R49-D200 VanDerWaalsContact NH1-OD1 3.12Å; R49-D200 IonicContact NH1-OD2 3.61Å; R49-D200 PolarHBondContact NH1-OD2 3.43Å; R49-D200 IonicContact NH2-OD1 2.7Å; R49-D200 PolarHBondContact NH2-OD1 3.16Å; R49-D200 IonicContact NH2-OD2 2.76Å; R49-D200 PolarHBondContact NH2-OD2 2.99Å
201	I	97.1	Very high	93.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	115.1	-177.4	-59.3	179.4	0	0	0	108.9	L48 F50 F53 V508	L48-I201 PolarHBondContact N-O 2.66Å; L48-I201 PolarHBondContact O-N 3.28Å; F50-I201 HydrophobicContact CB-CD1 4.23Å; F50-I201 HydrophobicContact CD2-CD1 3.69Å; F50-I201 HydrophobicContact CG-CD1 4.46Å; F53-I201 HydrophobicContact CB-CD1 4.45Å; F53-I201 HydrophobicContact CD1-CD1 4.14Å; F53-I201 HydrophobicContact CD1-CG2 3.96Å; F53-I201 HydrophobicContact CD2-CB 4.06Å; F53-I201 HydrophobicContact CD2-CG2 3.71Å; F53-I201 HydrophobicContact CE1-CG2 3.81Å; F53-I201 HydrophobicContact CE2-CB 4.39Å; F53-I201 HydrophobicContact CE2-CG2 3.57Å; F53-I201 HydrophobicContact CG-CB 4.11Å; F53-I201 HydrophobicContact CG-CD1 4.32Å; F53-I201 HydrophobicContact CG-CG2 3.89Å; F53-I201 HydrophobicContact CZ-CG2 3.6Å; I201-V508 HydrophobicContact CD1-CG1 4.4Å; I201-V508 HydrophobicContact CG2-CB 4.41Å; I201-V508 HydrophobicContact CG2-CG1 3.85Å; I201-V508 HydrophobicContact CG2-CG2 3.88Å
202	D	96.7	Very high	93.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	130.5	175.9	-77.9	-15.5	0	0	0	112.3	S47 P205 G387 S388 R506 H567	S47-D202 WeakPolarHBondContact CB-OD1 3.43Å; S47-D202 PolarHBondContact OG-OD1 3.18Å; D202-P205 HydrophobicContact CB-CB 3.8Å; D202-P205 WeakPolarHBondContact OD2-CA 3.48Å; D202-G387 WeakPolarHBondContact OD1-CA 3.41Å; D202-S388 VanDerWaalsContact CG-N 3.25Å; D202-S388 PolarHBondContact OD1-N 3.24Å; D202-S388 WeakPolarHBondContact OD2-CB 3.22Å; D202-S388 PolarHBondContact OD2-N 3Å; D202-S388 PolarHBondContact OD2-OG 2.73Å; D202-R506 PolarHBondContact O-NH2 3.29Å; D202-H567 PolarHBondContact N-CE1 3.14Å
203	I	95.4	Very high	92.9	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	14%	0.138	C	C	.	.	S	Bend	trans	-62.2	-52.6	165.9	-62.3	177.9	0	0	0	108.9	V44 A46 L48 L56 R506 F619 V621	V44-I203 WeakPolarHBondContact O-CB 3.4Å; V44-I203 WeakPolarHBondContact O-CG2 3.45Å; A46-I203 HydrophobicContact CB-CD1 4.01Å; A46-I203 PolarHBondContact O-N 3.08Å; L48-I203 HydrophobicContact CD1-CD1 4.13Å; L48-I203 HydrophobicContact CD1-CG1 4.31Å; L48-I203 HydrophobicContact CG-CD1 4.49Å; L56-I203 HydrophobicContact CD2-CD1 4.06Å; L56-I203 HydrophobicContact CD2-CG1 4.24Å; I203-R506 PolarHBondContact O-NE 3.28Å; I203-R506 PolarHBondContact O-NH2 3.44Å; I203-F619 HydrophobicContact CG2-CE2 4.02Å; I203-F619 WeakPolarHBondContact O-CE2 3.49Å; I203-V621 HydrophobicContact CG2-CG2 3.94Å
204	V	93.3	Very high	92.6	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.03	12%	0.122	C	C	.	.	S	Bend	trans	-128.6	104.1	171.3	-175.8	0	0	0	0	109.4	V44 L45 V621	V44-V204 PolarHBondContact O-N 2.96Å; L45-V204 HydrophobicContact CD2-CB 4.44Å; V204-V621 HydrophobicContact CG2-CB 4.08Å; V204-V621 HydrophobicContact CG2-CG1 3.85Å; V204-V621 HydrophobicContact CG2-CG2 4.08Å
205	P	94.6	Very high	92.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	11%	0.109	C	C	.	.			trans	-75.7	142.8	-177.5	30.1	-34.9	0	0	0	109.8	D202 W383 S388 R506 I549 H567	D202-P205 HydrophobicContact CB-CB 3.8Å; D202-P205 WeakPolarHBondContact OD2-CA 3.48Å; P205-W383 HydrophobicContact CB-CH2 3.7Å; P205-W383 HydrophobicContact CB-CZ3 4.07Å; P205-S388 WeakPolarHBondContact CA-OG 3.12Å; P205-R506 VanDerWaalsContact CD-NH1 3.35Å; P205-I549 HydrophobicContact CB-CD1 4.28Å; P205-I549 HydrophobicContact CG-CD1 4.35Å; P205-H567 HydrophobicContact CG-CB 4.05Å
206	K	93.1	Very high	92.3	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	13%	0.127	C	C	.	.			trans	-132.8	132.6	179	-60.4	-69.8	-174.3	-178.6	0	112.1	L45 S388 D652 T654 P655 L657	L45-K206 HydrophobicContact CD2-CG 3.77Å; K206-S388 PolarHBondContact N-OG 2.76Å; K206-D652 PolarHBondContact NZ-O 2.78Å; K206-D652 IonicContact NZ-OD1 3.43Å; K206-D652 PolarHBondContact NZ-OD1 3.27Å; K206-T654 PolarHBondContact NZ-O 2.99Å; K206-P655 CarbonylContact C-O 3.57Å; K206-P655 VanDerWaalsContact CA-O 3.28Å; K206-P655 WeakPolarHBondContact CA-O 3.41Å; K206-L657 HydrophobicContact CB-CB 4.42Å; K206-L657 HydrophobicContact CB-CD1 4.04Å; K206-L657 HydrophobicContact CB-CD2 4.36Å; K206-L657 HydrophobicContact CB-CG 3.57Å; K206-L657 HydrophobicContact CD-CG 4.38Å; K206-L657 HydrophobicContact CG-CD2 4.07Å; K206-L657 HydrophobicContact CG-CG 3.84Å
207	I	93.8	Very high	92.1	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-90.4	153.2	170.6	68.4	168.4	0	0	0	110.4	Y209 F352 I381 W383 I527 I549 P655 D656 L657	I207-Y209 HydrophobicContact CD1-CE2 4.38Å; I207-F352 HydrophobicContact CD1-CE2 3.97Å; I207-I381 HydrophobicContact CB-CG2 3.63Å; I207-I381 HydrophobicContact CD1-CD1 4.02Å; I207-I381 HydrophobicContact CD1-CG1 4.41Å; I207-I381 HydrophobicContact CD1-CG2 3.87Å; I207-I381 HydrophobicContact CG1-CG2 4.19Å; I207-I381 HydrophobicContact CG2-CG2 4.18Å; I207-W383 HydrophobicContact CG2-CE3 4.17Å; I207-W383 HydrophobicContact CG2-CZ3 4.33Å; I207-I527 HydrophobicContact CD1-CD1 4.22Å; I207-I527 HydrophobicContact CG2-CD1 3.74Å; I207-I549 HydrophobicContact CG2-CD1 4.01Å; I207-P655 WeakPolarHBondContact CG1-O 3.34Å; I207-P655 PolarHBondContact N-O 2.6Å; I207-D656 HydrophobicContact CD1-CB 4.23Å; I207-D656 HydrophobicContact CG1-CB 3.65Å; I207-D656 WeakPolarHBondContact O-CA 2.91Å; I207-L657 PolarHBondContact O-N 2.89Å
208	L	93.3	Very high	92	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.8	169.1	-55.8	105.7	0	0	0	109.7	V214 V215 L218 F229 I381 L382 L391 L657	L208-V214 HydrophobicContact CD2-CB 4.06Å; L208-V214 HydrophobicContact CD2-CG1 3.58Å; L208-V215 HydrophobicContact CB-CG2 4.23Å; L208-V215 HydrophobicContact CD2-CG2 4.28Å; L208-L218 HydrophobicContact CD2-CD1 4.13Å; L208-F229 HydrophobicContact CD1-CD1 4.43Å; L208-F229 HydrophobicContact CD1-CE1 3.78Å; L208-I381 CarbonylContact O-C 3.58Å; L208-I381 WeakPolarHBondContact O-CA 3.49Å; L208-L382 HydrophobicContact CB-CB 4.34Å; L208-L382 PolarHBondContact N-O 3.37Å; L208-L382 PolarHBondContact O-N 2.67Å; L208-L391 HydrophobicContact CD1-CD1 4.09Å; L208-L391 HydrophobicContact CD1-CD2 4.47Å; L208-L657 HydrophobicContact CD2-CD1 4.04Å; L208-L657 HydrophobicContact CG-CD1 4.18Å
209	Y	93.3	Very high	92.1	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.008	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	141.5	167.6	-67.9	-86.9	0	0	0	109.2	I207 H211 S212 V215 R368 L369 I381 D656 D658	I207-Y209 HydrophobicContact CD1-CE2 4.38Å; Y209-H211 PolarHBondContact O-N 2.87Å; Y209-S212 WeakPolarHBondContact O-CB 3.32Å; Y209-V215 WeakPolarHBondContact O-CG2 3.35Å; Y209-R368 HydrophobicContact CD1-CG 3.93Å; Y209-R368 HydrophobicContact CD2-CG 4.19Å; Y209-R368 VanDerWaalsContact CD2-CZ 3.5Å; Y209-R368 HydrophobicContact CE1-CG 4.45Å; Y209-R368 HydrophobicContact CG-CG 3.75Å; Y209-R368 PolarHBondContact OH-NH2 2.84Å; Y209-L369 HydrophobicContact CD1-CD2 4.08Å; Y209-L369 HydrophobicContact CD1-CG 4.49Å; Y209-L369 HydrophobicContact CE1-CD2 3.53Å; Y209-L369 HydrophobicContact CE1-CG 3.82Å; Y209-I381 HydrophobicContact CD1-CG1 4.07Å; Y209-I381 HydrophobicContact CE1-CD1 4.43Å; Y209-I381 HydrophobicContact CE1-CG1 4.06Å; Y209-D656 HydrophobicContact CD2-CB 4.28Å; Y209-D656 HydrophobicContact CE2-CB 3.62Å; Y209-D658 HydrophobicContact CD2-CB 4.35Å
210	S	93.8	Very high	91.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-57.2	-38.5	176.7	-58.7	0	0	0	0	110.7	S212 S372 R375 F376 P380	S210-S212 PolarHBondContact O-N 3.39Å; S210-S372 WeakPolarHBondContact CB-O 3.27Å; S210-R375 VanDerWaalsContact C-CD 3.47Å; S210-R375 WeakPolarHBondContact O-CD 3.13Å; S210-R375 PolarHBondContact O-NE 2.96Å; S210-F376 WeakPolarHBondContact O-CE2 2.95Å; S210-P380 PolarHBondContact N-O 2.94Å; S210-P380 PolarHBondContact OG-O 2.96Å
211	H	88	Confident	91.6	Very high	98 Å²	98	17.5 Å²	17.5	45%	0.454	9%	0.091	S	C	.	.	S	Bend	trans	-91.5	86.4	169.9	-167.9	87.8	0	0	0	110.5	Y209 S372	Y209-H211 PolarHBondContact O-N 2.87Å; H211-S372 VanDerWaalsContact CB-OG 3.32Å; H211-S372 WeakPolarHBondContact CB-OG 3.11Å; H211-S372 PolarHBondContact N-OG 3.11Å
212	S	85.2	Confident	91.4	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.028	10%	0.102	C	C	.	.			trans	-137	141.7	-173.9	163.6	0	0	0	0	112.2	Y209 S210 V214 V215 T216 D658	Y209-S212 WeakPolarHBondContact O-CB 3.32Å; S210-S212 PolarHBondContact O-N 3.39Å; S212-V214 VanDerWaalsContact C-N 3.26Å; S212-V214 PolarHBondContact O-N 3.33Å; S212-V214 WeakPolarHBondContact OG-CB 3.49Å; S212-V214 PolarHBondContact OG-N 3.14Å; S212-V215 PolarHBondContact O-N 3.17Å; S212-V215 PolarHBondContact OG-N 2.83Å; S212-T216 PolarHBondContact O-N 2.8Å; S212-T216 PolarHBondContact O-OG1 3.48Å; S212-D658 WeakPolarHBondContact CB-OD2 3.37Å; S212-D658 PolarHBondContact OG-OD1 3.09Å; S212-D658 PolarHBondContact OG-OD2 3.3Å
213	P	85.6	Confident	91.2	Very high	47 Å²	47	19.4 Å²	19.4	31%	0.305	10%	0.102	S	C	.	.	H	α-helix	trans	-57.9	-37.2	165.1	-24.8	35.7	0	0	0	113	T216 A217 N689 L692	P213-T216 WeakPolarHBondContact O-CB 3.29Å; P213-T216 PolarHBondContact O-N 2.82Å; P213-A217 PolarHBondContact O-N 2.61Å; P213-N689 HydrophobicContact CB-CB 4.22Å; P213-N689 HydrophobicContact CG-CB 4.49Å; P213-L692 HydrophobicContact CB-CD1 3.72Å
214	V	88.5	Confident	91.1	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.03	12%	0.117	C	C	.	.	H	α-helix	trans	-65.8	-45.6	177.2	-179.8	0	0	0	0	110.3	L208 S212 T216 A217 L218 L657 N689 L692	L208-V214 HydrophobicContact CD2-CB 4.06Å; L208-V214 HydrophobicContact CD2-CG1 3.58Å; S212-V214 VanDerWaalsContact C-N 3.26Å; S212-V214 PolarHBondContact O-N 3.33Å; S212-V214 WeakPolarHBondContact OG-CB 3.49Å; S212-V214 PolarHBondContact OG-N 3.14Å; V214-T216 PolarHBondContact O-N 3.07Å; V214-A217 CarbonylContact O-C 3.47Å; V214-A217 WeakPolarHBondContact O-CA 3.23Å; V214-A217 WeakPolarHBondContact O-CB 3.4Å; V214-A217 PolarHBondContact O-N 3.07Å; V214-L218 HydrophobicContact CG1-CD1 4.41Å; V214-L218 HydrophobicContact CG1-CG 4.38Å; V214-L218 WeakPolarHBondContact O-CG 3.27Å; V214-L218 PolarHBondContact O-N 3.3Å; V214-L657 HydrophobicContact CG2-CB 4.41Å; V214-N689 WeakPolarHBondContact CG2-ND2 3.17Å; V214-L692 HydrophobicContact CG2-CD1 4.19Å; V214-L692 HydrophobicContact CG2-CG 4.4Å
215	V	90.5	Very high	91	Very high	9 Å²	9	28.5 Å²	28.5	6%	0.055	14%	0.141	C	C	.	.	H	α-helix	trans	-57.2	-40.6	173.5	169.7	0	0	0	0	111.3	L208 Y209 S212 A217 L218 Q219 F376 L382	L208-V215 HydrophobicContact CB-CG2 4.23Å; L208-V215 HydrophobicContact CD2-CG2 4.28Å; Y209-V215 WeakPolarHBondContact O-CG2 3.35Å; S212-V215 PolarHBondContact O-N 3.17Å; S212-V215 PolarHBondContact OG-N 2.83Å; V215-A217 VanDerWaalsContact C-N 3.34Å; V215-A217 PolarHBondContact O-N 2.72Å; V215-L218 PolarHBondContact O-N 3.48Å; V215-Q219 WeakPolarHBondContact O-CG 3.38Å; V215-Q219 PolarHBondContact O-N 2.6Å; V215-F376 HydrophobicContact CG1-CE2 3.79Å; V215-F376 HydrophobicContact CG1-CZ 3.81Å; V215-L382 HydrophobicContact CG2-CD1 4.07Å
216	T	89.5	Confident	90.9	Very high	63 Å²	63	32.1 Å²	32.1	39%	0.387	16%	0.156	S	C	.	.	H	α-helix	trans	-64.8	-39.5	176.4	-54	0	0	0	0	111.5	S212 P213 V214 Q219 R220	S212-T216 PolarHBondContact O-N 2.8Å; S212-T216 PolarHBondContact O-OG1 3.48Å; P213-T216 WeakPolarHBondContact O-CB 3.29Å; P213-T216 PolarHBondContact O-N 2.82Å; V214-T216 PolarHBondContact O-N 3.07Å; T216-Q219 PolarHBondContact O-N 3.15Å; T216-R220 WeakPolarHBondContact O-CB 3.5Å; T216-R220 WeakPolarHBondContact O-CG 3.05Å; T216-R220 PolarHBondContact O-N 2.95Å
217	A	90.6	Very high	91	Very high	5 Å²	5	32.8 Å²	32.8	4%	0.041	16%	0.159	C	C	.	.	H	α-helix	trans	-66.6	-38.8	175.1	0	0	0	0	0	112.3	P213 V214 V215 R220 A221 Y395 L692 P749	P213-A217 PolarHBondContact O-N 2.61Å; V214-A217 CarbonylContact O-C 3.47Å; V214-A217 WeakPolarHBondContact O-CA 3.23Å; V214-A217 WeakPolarHBondContact O-CB 3.4Å; V214-A217 PolarHBondContact O-N 3.07Å; V215-A217 VanDerWaalsContact C-N 3.34Å; V215-A217 PolarHBondContact O-N 2.72Å; A217-R220 PolarHBondContact O-N 3.47Å; A217-A221 WeakPolarHBondContact O-CB 3.48Å; A217-A221 PolarHBondContact O-N 3.09Å; A217-Y395 VanDerWaalsContact C-OH 3.24Å; A217-Y395 PolarHBondContact O-OH 3.26Å; A217-L692 HydrophobicContact CB-CD1 4.2Å; A217-L692 HydrophobicContact CB-CD2 3.9Å; A217-P749 HydrophobicContact CB-CG 4.07Å; A217-P749 WeakPolarHBondContact O-CG 3.5Å
218	L	91.8	Very high	91.1	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-61.5	-46.5	175.3	-67.7	172.9	0	0	0	110.8	L208 V214 V215 D222 V223 T224 L227 F229 L391 Y395	L208-L218 HydrophobicContact CD2-CD1 4.13Å; V214-L218 HydrophobicContact CG1-CD1 4.41Å; V214-L218 HydrophobicContact CG1-CG 4.38Å; V214-L218 WeakPolarHBondContact O-CG 3.27Å; V214-L218 PolarHBondContact O-N 3.3Å; V215-L218 PolarHBondContact O-N 3.48Å; L218-D222 PolarHBondContact O-N 3.48Å; L218-V223 HydrophobicContact CB-CG2 3.97Å; L218-V223 HydrophobicContact CD2-CG2 3.42Å; L218-V223 VanDerWaalsContact CD2-CG2 3.42Å; L218-V223 HydrophobicContact CG-CG2 4.3Å; L218-V223 WeakPolarHBondContact O-CG2 2.92Å; L218-V223 PolarHBondContact O-N 3.42Å; L218-V223 VanDerWaalsContact O-N 3.17Å; L218-T224 HydrophobicContact CB-CG2 3.83Å; L218-L227 HydrophobicContact CD1-CD1 4.39Å; L218-L227 HydrophobicContact CD2-CD1 3.78Å; L218-F229 HydrophobicContact CD1-CZ 4Å; L218-L391 HydrophobicContact CD1-CD2 4.21Å; L218-L391 HydrophobicContact CD2-CD2 4.49Å; L218-Y395 WeakPolarHBondContact CA-OH 3.36Å; L218-Y395 HydrophobicContact CD2-CE2 3.58Å; L218-Y395 PolarHBondContact N-OH 2.86Å
219	Q	91.6	Very high	91.2	Very high	85 Å²	85	39.2 Å²	39.2	40%	0.397	19%	0.188	S	C	.	.	H	α-helix	trans	-65.5	-42	177.6	-70.3	178.2	-42.7	0	0	112	V215 T216 D222 T224	V215-Q219 WeakPolarHBondContact O-CG 3.38Å; V215-Q219 PolarHBondContact O-N 2.6Å; T216-Q219 PolarHBondContact O-N 3.15Å; Q219-D222 PolarHBondContact O-N 3.09Å; Q219-T224 HydrophobicContact CG-CG2 4.17Å
220	R	89.5	Confident	91.3	Very high	34 Å²	34	42.2 Å²	42.2	13%	0.128	20%	0.199	C	C	.	.	H	α-helix	trans	-65.3	-45.2	179.9	-82.8	-175.1	58.4	85.2	13.4	112.6	T216 A217 D222 D745 Q747 P749 K751	T216-R220 WeakPolarHBondContact O-CB 3.5Å; T216-R220 WeakPolarHBondContact O-CG 3.05Å; T216-R220 PolarHBondContact O-N 2.95Å; A217-R220 PolarHBondContact O-N 3.47Å; R220-D222 PolarHBondContact O-N 3Å; R220-D745 IonicContact CZ-OD2 2.84Å; R220-D745 IonicContact NH1-OD2 2.67Å; R220-D745 PolarHBondContact NH1-OD2 3.17Å; R220-D745 IonicContact NH2-OD1 3.54Å; R220-D745 PolarHBondContact NH2-OD1 2.87Å; R220-D745 IonicContact NH2-OD2 3.09Å; R220-D745 PolarHBondContact NH2-OD2 3.49Å; R220-Q747 PolarHBondContact NH2-O 2.98Å; R220-P749 HydrophobicContact CB-CG 4.33Å; R220-P749 PolarHBondContact NE-O 2.66Å; R220-P749 VanDerWaalsContact NE-O 3.09Å; R220-P749 PolarHBondContact NH2-O 3.12Å; R220-K751 WeakPolarHBondContact O-CA 3.38Å
221	A	89.3	Confident	91.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	0.8	177.4	0	0	0	0	0	113	A217 V223 Y395 M398 P749	A217-A221 WeakPolarHBondContact O-CB 3.48Å; A217-A221 PolarHBondContact O-N 3.09Å; A221-V223 HydrophobicContact CB-CG1 4.07Å; A221-V223 PolarHBondContact O-N 2.92Å; A221-V223 VanDerWaalsContact O-N 3.11Å; A221-Y395 HydrophobicContact CB-CD1 4.31Å; A221-Y395 HydrophobicContact CB-CE1 3.52Å; A221-M398 WeakPolarHBondContact O-CE 3.37Å; A221-P749 HydrophobicContact CB-CB 4.28Å; A221-P749 HydrophobicContact CB-CG 3.92Å
222	D	91.7	Very high	91.8	Very high	41 Å²	41	40.2 Å²	40.2	22%	0.219	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	30.4	-178.8	-167.5	38.5	0	0	0	113.9	L218 Q219 R220 T224 R225 M398 A752	L218-D222 PolarHBondContact O-N 3.48Å; Q219-D222 PolarHBondContact O-N 3.09Å; R220-D222 PolarHBondContact O-N 3Å; D222-T224 VanDerWaalsContact C-N 3.3Å; D222-R225 WeakPolarHBondContact O-CG 3.46Å; D222-R225 IonicContact OD1-CZ 2.96Å; D222-R225 IonicContact OD1-NE 3.76Å; D222-R225 IonicContact OD1-NH2 3.04Å; D222-R225 PolarHBondContact OD1-NH2 3.08Å; D222-R225 IonicContact OD2-CZ 3.36Å; D222-R225 IonicContact OD2-NE 2.83Å; D222-R225 PolarHBondContact OD2-NE 2.77Å; D222-R225 IonicContact OD2-NH2 2.74Å; D222-R225 PolarHBondContact OD2-NH2 3.38Å; D222-M398 VanDerWaalsContact C-CE 3.44Å; D222-M398 HydrophobicContact CB-CE 3.96Å; D222-M398 WeakPolarHBondContact O-CE 3.43Å; D222-A752 HydrophobicContact CB-CB 4.07Å
223	V	93	Very high	92.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-81.8	-13.6	177.1	-62.8	0	0	0	0	112.2	L218 A221 R225 Y226 L227 Y395 M398	L218-V223 HydrophobicContact CB-CG2 3.97Å; L218-V223 HydrophobicContact CD2-CG2 3.42Å; L218-V223 VanDerWaalsContact CD2-CG2 3.42Å; L218-V223 HydrophobicContact CG-CG2 4.3Å; L218-V223 WeakPolarHBondContact O-CG2 2.92Å; L218-V223 PolarHBondContact O-N 3.42Å; L218-V223 VanDerWaalsContact O-N 3.17Å; A221-V223 HydrophobicContact CB-CG1 4.07Å; A221-V223 PolarHBondContact O-N 2.92Å; A221-V223 VanDerWaalsContact O-N 3.11Å; V223-R225 PolarHBondContact O-N 2.83Å; V223-R225 VanDerWaalsContact O-N 3.1Å; V223-Y226 HydrophobicContact CB-CD2 4.33Å; V223-Y226 WeakPolarHBondContact O-CB 3.19Å; V223-Y226 PolarHBondContact O-N 3.09Å; V223-L227 HydrophobicContact CG2-CD1 4.14Å; V223-L227 WeakPolarHBondContact O-CG 3.31Å; V223-Y395 HydrophobicContact CG1-CD1 3.62Å; V223-Y395 HydrophobicContact CG1-CE1 3.82Å; V223-Y395 HydrophobicContact CG1-CG 4.16Å; V223-Y395 HydrophobicContact CG2-CD1 4.39Å; V223-Y395 HydrophobicContact CG2-CE1 3.96Å; V223-Y395 HydrophobicContact CG2-CE2 4.23Å; V223-M398 HydrophobicContact CG1-CB 3.77Å; V223-M398 HydrophobicContact CG1-CE 4.32Å; V223-M398 HydrophobicContact CG1-CG 4.18Å
224	T	92.4	Very high	92.8	Very high	54 Å²	54	38.5 Å²	38.5	33%	0.331	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-60.3	-21.1	179.1	49.4	0	0	0	0	113.3	L218 Q219 D222 Y226 L227	L218-T224 HydrophobicContact CB-CG2 3.83Å; Q219-T224 HydrophobicContact CG-CG2 4.17Å; D222-T224 VanDerWaalsContact C-N 3.3Å; T224-Y226 PolarHBondContact O-N 2.83Å; T224-L227 PolarHBondContact O-N 3.38Å; T224-L227 VanDerWaalsContact O-O 3.14Å
225	R	91.4	Very high	93.2	Very high	145 Å²	145	38.6 Å²	38.6	55%	0.547	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-66.5	-16.5	172.8	69.1	179.6	51.5	-112.6	-0.5	114	D222 V223	D222-R225 WeakPolarHBondContact O-CG 3.46Å; D222-R225 IonicContact OD1-CZ 2.96Å; D222-R225 IonicContact OD1-NE 3.76Å; D222-R225 IonicContact OD1-NH2 3.04Å; D222-R225 PolarHBondContact OD1-NH2 3.08Å; D222-R225 IonicContact OD2-CZ 3.36Å; D222-R225 IonicContact OD2-NE 2.83Å; D222-R225 PolarHBondContact OD2-NE 2.77Å; D222-R225 IonicContact OD2-NH2 2.74Å; D222-R225 PolarHBondContact OD2-NH2 3.38Å; V223-R225 PolarHBondContact O-N 2.83Å; V223-R225 VanDerWaalsContact O-N 3.1Å
226	Y	93.4	Very high	93.5	Very high	77 Å²	77	38.2 Å²	38.2	30%	0.302	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-101.8	-3.3	178.3	-49.8	-55.4	0	0	0	112.7	V223 T224 R397 M398	V223-Y226 HydrophobicContact CB-CD2 4.33Å; V223-Y226 WeakPolarHBondContact O-CB 3.19Å; V223-Y226 PolarHBondContact O-N 3.09Å; T224-Y226 PolarHBondContact O-N 2.83Å; Y226-R397 HydrophobicContact CD1-CG 4.16Å; Y226-R397 HydrophobicContact CD2-CB 4.41Å; Y226-R397 HydrophobicContact CD2-CG 4.28Å; Y226-R397 HydrophobicContact CE1-CG 4.01Å; Y226-R397 HydrophobicContact CE2-CB 4.48Å; Y226-R397 HydrophobicContact CE2-CG 4.13Å; Y226-R397 HydrophobicContact CG-CG 4.31Å; Y226-M398 HydrophobicContact CE2-CB 4.22Å; Y226-M398 HydrophobicContact CE2-CE 3.85Å; Y226-M398 HydrophobicContact CE2-SD 4.33Å
227	L	95.3	Very high	93.8	Very high	14 Å²	14	35.3 Å²	35.3	7%	0.073	16%	0.158	C	C	.	.			trans	-122	137.6	-167.1	-59.6	172.6	0	0	0	110.4	L218 V223 T224 F229 D390 L391	L218-L227 HydrophobicContact CD1-CD1 4.39Å; L218-L227 HydrophobicContact CD2-CD1 3.78Å; V223-L227 HydrophobicContact CG2-CD1 4.14Å; V223-L227 WeakPolarHBondContact O-CG 3.31Å; T224-L227 PolarHBondContact O-N 3.38Å; T224-L227 VanDerWaalsContact O-O 3.14Å; L227-F229 HydrophobicContact CB-CD2 4.47Å; L227-F229 HydrophobicContact CB-CE2 3.64Å; L227-F229 HydrophobicContact CB-CZ 3.99Å; L227-F229 HydrophobicContact CD1-CE2 4.31Å; L227-F229 HydrophobicContact CD1-CZ 4.07Å; L227-D390 HydrophobicContact CD2-CB 4.32Å; L227-D390 VanDerWaalsContact CD2-O 3.25Å; L227-D390 WeakPolarHBondContact CD2-O 3.47Å; L227-L391 HydrophobicContact CD1-CD2 3.95Å; L227-L391 HydrophobicContact CD2-CD2 4.37Å
228	E	94.8	Very high	94	Very high	73 Å²	73	36.3 Å²	36.3	34%	0.341	16%	0.161	S	C	.	.			trans	-115.2	137.8	172.8	-67.3	-176.1	166.7	0	0	110.3	M385 Y386	E228-M385 HydrophobicContact CB-CB 4.06Å; E228-M385 HydrophobicContact CB-CG 4.11Å; E228-M385 WeakPolarHBondContact O-CB 3.46Å; E228-M385 PolarHBondContact O-N 2.91Å; E228-Y386 HydrophobicContact CB-CE2 4.18Å; E228-Y386 HydrophobicContact CG-CE2 4.44Å; E228-Y386 WeakPolarHBondContact OE2-CE2 3.36Å; E228-Y386 PolarHBondContact OE2-OH 2.88Å
229	F	95.5	Very high	93.9	Very high	63 Å²	63	36.4 Å²	36.4	28%	0.276	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.8	-178.7	-64	-83.2	0	0	0	110.9	L208 L218 L227 L382 W383 P384 L391	L208-F229 HydrophobicContact CD1-CD1 4.43Å; L208-F229 HydrophobicContact CD1-CE1 3.78Å; L218-F229 HydrophobicContact CD1-CZ 4Å; L227-F229 HydrophobicContact CB-CD2 4.47Å; L227-F229 HydrophobicContact CB-CE2 3.64Å; L227-F229 HydrophobicContact CB-CZ 3.99Å; L227-F229 HydrophobicContact CD1-CE2 4.31Å; L227-F229 HydrophobicContact CD1-CZ 4.07Å; F229-L382 HydrophobicContact CB-CB 4.46Å; F229-L382 HydrophobicContact CD1-CB 4.06Å; F229-L382 HydrophobicContact CG-CB 4.5Å; F229-W383 CarbonylContact C-O 3.43Å; F229-W383 WeakPolarHBondContact CA-O 3.3Å; F229-P384 HydrophobicContact CD1-CB 4.38Å; F229-P384 HydrophobicContact CE1-CB 4.14Å; F229-L391 HydrophobicContact CE1-CD2 3.9Å; F229-L391 HydrophobicContact CZ-CD2 3.79Å
230	R	95.1	Very high	93.4	Very high	65 Å²	65	33.1 Å²	33.1	25%	0.245	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	164.3	161.1	-85.9	-174.8	-163.3	158.5	12.7	110.6	L382 W383 M385 S522 I525 E554	R230-L382 CarbonylContact O-C 3.58Å; R230-L382 WeakPolarHBondContact O-CA 3.48Å; R230-W383 PolarHBondContact N-O 2.66Å; R230-W383 PolarHBondContact O-N 3.45Å; R230-M385 HydrophobicContact CB-CG 4.49Å; R230-M385 HydrophobicContact CB-SD 3.8Å; R230-M385 WeakPolarHBondContact CD-SD 3.36Å; R230-M385 HydrophobicContact CG-CG 4.09Å; R230-M385 HydrophobicContact CG-SD 3.28Å; R230-M385 WeakPolarHBondContact CG-SD 3.21Å; R230-M385 VanDerWaalsContact CZ-SD 3.58Å; R230-M385 PolarHBondContact NE-SD 2.82Å; R230-M385 VanDerWaalsContact NH2-CE 3.26Å; R230-S522 PolarHBondContact NH1-O 2.99Å; R230-I525 HydrophobicContact CB-CG1 4.3Å; R230-E554 IonicContact NH2-OE1 2.79Å; R230-E554 PolarHBondContact NH2-OE1 2.82Å
231	F	96.9	Very high	92.3	Very high	57 Å²	57	34.2 Å²	34.2	25%	0.25	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	144.2	172.4	-66.2	-67.1	0	0	0	111.2	S233 F376 Y379 I381 L382	F231-S233 VanDerWaalsContact C-N 3.33Å; F231-S233 PolarHBondContact O-N 2.89Å; F231-F376 HydrophobicContact CE1-CB 4.23Å; F231-F376 HydrophobicContact CZ-CB 4.16Å; F231-Y379 HydrophobicContact CB-CD2 3.45Å; F231-Y379 VanDerWaalsContact CB-CD2 3.45Å; F231-Y379 HydrophobicContact CB-CE2 4.4Å; F231-Y379 HydrophobicContact CB-CG 3.97Å; F231-Y379 HydrophobicContact CD2-CD2 4.19Å; F231-Y379 AromaticContact CG-CD2 3.82Å; F231-Y379 HydrophobicContact CG-CD2 3.82Å; F231-Y379 HydrophobicContact CG-CG 4.42Å; F231-I381 WeakPolarHBondContact CA-O 3.32Å; F231-L382 HydrophobicContact CD1-CD2 3.76Å; F231-L382 HydrophobicContact CE1-CD2 3.52Å; F231-L382 HydrophobicContact CZ-CD2 4.48Å
232	V	96.9	Very high	90.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.			trans	-73.8	93.7	159.6	-177.8	0	0	0	0	108.1	I381 W383 I525 I527	V232-I381 HydrophobicContact CB-CB 3.96Å; V232-I381 HydrophobicContact CB-CG2 4.12Å; V232-I381 HydrophobicContact CG2-CB 3.92Å; V232-I381 HydrophobicContact CG2-CG2 3.49Å; V232-I381 VanDerWaalsContact CG2-CG2 3.49Å; V232-I381 PolarHBondContact N-O 3.35Å; V232-W383 HydrophobicContact CG2-CB 4.39Å; V232-I525 HydrophobicContact CG2-CB 4.49Å; V232-I525 HydrophobicContact CG2-CG2 4.06Å; V232-I527 HydrophobicContact CB-CD1 4.36Å; V232-I527 HydrophobicContact CG1-CB 4.13Å; V232-I527 HydrophobicContact CG1-CD1 3.76Å; V232-I527 HydrophobicContact CG1-CG1 3.63Å; V232-I527 HydrophobicContact CG2-CD1 3.85Å; V232-I527 HydrophobicContact CG2-CG1 4.31Å
233	S	95.5	Very high	89.2	Confident	7 Å²	7	43.6 Å²	43.6	5%	0.049	21%	0.206	C	C	.	.			trans	-81.9	-15.3	-175.1	60.7	0	0	0	0	113.5	F231 K270 Y379 D524 I525	F231-S233 VanDerWaalsContact C-N 3.33Å; F231-S233 PolarHBondContact O-N 2.89Å; S233-K270 WeakPolarHBondContact O-CE 3.31Å; S233-K270 PolarHBondContact O-NZ 3.33Å; S233-Y379 WeakPolarHBondContact O-CE1 3.5Å; S233-D524 WeakPolarHBondContact CB-OD1 3.48Å; S233-D524 WeakPolarHBondContact OG-CA 3.38Å; S233-D524 WeakPolarHBondContact OG-CB 3.48Å; S233-D524 VanDerWaalsContact OG-CG 3.3Å; S233-D524 PolarHBondContact OG-OD1 3.44Å; S233-I525 PolarHBondContact N-O 3.34Å; S233-I525 VanDerWaalsContact N-O 3.17Å
234	R	96.1	Very high	86.8	Confident	8 Å²	8	45.9 Å²	45.9	3%	0.03	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	94.1	-175.5	-62.9	-169.5	-65.8	152	3.1	111.3	L236 K270 S514 L516 C520 D524 I525 S526 I527 E550	R234-L236 HydrophobicContact CB-CD2 3.98Å; R234-L236 HydrophobicContact CB-CG 4.39Å; R234-K270 HydrophobicContact CG-CD 4.42Å; R234-S514 PolarHBondContact NH1-OG 2.81Å; R234-S514 VanDerWaalsContact NH1-OG 3.08Å; R234-S514 PolarHBondContact NH2-OG 2.81Å; R234-L516 PolarHBondContact NH1-O 3.4Å; R234-C520 VanDerWaalsContact CZ-SG 3.59Å; R234-C520 PolarHBondContact NH2-SG 2.89Å; R234-C520 VanDerWaalsContact NH2-SG 3.37Å; R234-D524 HydrophobicContact CG-CB 4.44Å; R234-D524 IonicContact NE-OD2 3.33Å; R234-I525 PolarHBondContact N-O 2.94Å; R234-S526 WeakPolarHBondContact CB-OG 3.48Å; R234-S526 PolarHBondContact NE-OG 3.42Å; R234-S526 PolarHBondContact NH2-OG 2.97Å; R234-S526 CarbonylContact O-C 3.5Å; R234-S526 WeakPolarHBondContact O-CA 3.48Å; R234-I527 PolarHBondContact O-N 3.22Å; R234-E550 IonicContact CZ-OE2 3.23Å; R234-E550 IonicContact NH2-OE2 3.61Å; R234-E550 PolarHBondContact NH2-OE2 3.38Å
235	L	96.9	Very high	84.7	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.9	160.4	-80.1	102.9	0	0	0	109.2	K270 I271 V273 L350 F352 I381	L235-K270 WeakPolarHBondContact O-CA 3.19Å; L235-I271 HydrophobicContact CB-CD1 4.42Å; L235-I271 HydrophobicContact CB-CG1 3.95Å; L235-I271 WeakPolarHBondContact O-CG1 3.43Å; L235-I271 PolarHBondContact O-N 3.03Å; L235-V273 HydrophobicContact CB-CG2 3.9Å; L235-V273 HydrophobicContact CD1-CG2 3.59Å; L235-V273 HydrophobicContact CD2-CG2 4.35Å; L235-V273 HydrophobicContact CG-CG2 4.13Å; L235-L350 HydrophobicContact CD2-CD2 4.42Å; L235-F352 HydrophobicContact CD2-CE1 4.3Å; L235-F352 HydrophobicContact CD2-CZ 3.96Å; L235-I381 HydrophobicContact CD1-CD1 4.33Å; L235-I381 HydrophobicContact CD2-CD1 4.48Å
236	L	96.9	Very high	82.2	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	154.2	-171.4	-53.7	-176.1	0	0	0	111	R234 V268 V269 K270 N349 L516 I527 L528	R234-L236 HydrophobicContact CB-CD2 3.98Å; R234-L236 HydrophobicContact CB-CG 4.39Å; L236-V268 HydrophobicContact CB-CG1 3.98Å; L236-V268 HydrophobicContact CD1-CG1 3.82Å; L236-V268 HydrophobicContact CG-CG1 4.36Å; L236-V269 CarbonylContact C-O 3.51Å; L236-V269 WeakPolarHBondContact CA-O 3.38Å; L236-K270 HydrophobicContact CD2-CB 3.99Å; L236-K270 HydrophobicContact CD2-CG 4.48Å; L236-N349 PolarHBondContact O-OD1 3.09Å; L236-L516 HydrophobicContact CD1-CB 4.33Å; L236-L516 HydrophobicContact CD2-CD2 3.72Å; L236-I527 PolarHBondContact N-O 2.87Å; L236-L528 HydrophobicContact CB-CB 4.05Å; L236-L528 HydrophobicContact CB-CD1 4.02Å; L236-L528 WeakPolarHBondContact O-CD1 3.34Å
237	A	95.7	Very high	79.5	Confident	2 Å²	2	52.7 Å²	52.7	2%	0.017	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.2	169.2	0	0	0	0	0	110.6	V268 V269 I271 L345 N349 L528	A237-V268 CarbonylContact O-C 3.6Å; A237-V268 WeakPolarHBondContact O-CA 3.14Å; A237-V269 HydrophobicContact CB-CG2 4.48Å; A237-V269 PolarHBondContact N-O 3.25Å; A237-V269 PolarHBondContact O-N 3.24Å; A237-I271 HydrophobicContact CB-CG2 3.44Å; A237-I271 VanDerWaalsContact CB-CG2 3.44Å; A237-L345 HydrophobicContact CB-CD2 3.91Å; A237-N349 WeakPolarHBondContact CB-OD1 3.47Å; A237-L528 VanDerWaalsContact C-CD1 3.45Å; A237-L528 VanDerWaalsContact CA-CD1 3.48Å
238	Y	93.8	Very high	76.3	Confident	26 Å²	26	58.2 Å²	58.2	10%	0.102	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.2	170.8	-176.8	-98.4	0	0	0	110.1	G266 V268 Y530 R588 L589	Y238-G266 WeakPolarHBondContact CE2-O 3.2Å; Y238-G266 WeakPolarHBondContact OH-CA 3.16Å; Y238-G266 PolarHBondContact OH-O 3.19Å; Y238-V268 HydrophobicContact CD2-CG2 4.11Å; Y238-Y530 HydrophobicContact CD1-CD2 4.26Å; Y238-Y530 AromaticContact CD1-CE2 3.63Å; Y238-Y530 HydrophobicContact CD1-CE2 3.63Å; Y238-Y530 HydrophobicContact CE1-CE2 4.29Å; Y238-Y530 HydrophobicContact CG-CD2 4.11Å; Y238-Y530 AromaticContact CG-CE2 3.85Å; Y238-Y530 HydrophobicContact CG-CE2 3.85Å; Y238-R588 HydrophobicContact CE1-CG 3.96Å; Y238-R588 HydrophobicContact CE2-CG 4.21Å; Y238-R588 VanDerWaalsContact OH-CZ 3.22Å; Y238-R588 PolarHBondContact OH-NE 3.18Å; Y238-R588 PolarHBondContact OH-NH2 3.17Å; Y238-L589 HydrophobicContact CD2-CD2 3.41Å; Y238-L589 VanDerWaalsContact CD2-CD2 3.41Å; Y238-L589 HydrophobicContact CE2-CD2 3.74Å; Y238-L589 HydrophobicContact CG-CD2 4.2Å
239	I	89.7	Confident	73.2	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.5	-179	-56.1	-173.1	0	0	0	109.2	E243 G266 R267 V269 L283 F341	I239-E243 HydrophobicContact CG2-CB 3.72Å; I239-G266 CarbonylContact O-C 3.59Å; I239-G266 WeakPolarHBondContact O-CA 3.45Å; I239-R267 PolarHBondContact N-O 3.46Å; I239-R267 PolarHBondContact O-N 3.02Å; I239-V269 HydrophobicContact CD1-CB 4.35Å; I239-V269 HydrophobicContact CD1-CG1 3.95Å; I239-V269 HydrophobicContact CD1-CG2 3.43Å; I239-V269 VanDerWaalsContact CD1-CG2 3.43Å; I239-V269 HydrophobicContact CG1-CG1 4.5Å; I239-V269 HydrophobicContact CG1-CG2 3.89Å; I239-L283 HydrophobicContact CD1-CD1 3.65Å; I239-F341 HydrophobicContact CD1-CE2 3.61Å; I239-F341 HydrophobicContact CD1-CZ 3.61Å; I239-F341 HydrophobicContact CG1-CE2 3.91Å; I239-F341 HydrophobicContact CG1-CZ 4.35Å
240	G	81.1	Confident	69.9	Low	16 Å²	16	60.8 Å²	60.8	17%	0.165	34%	0.343	C	S	.	.			trans	-75.6	170.3	176.7	0	0	0	0	0	113.6	N242 E243	G240-N242 PolarHBondContact O-N 3.37Å; G240-N242 VanDerWaalsContact O-N 3.09Å; G240-E243 PolarHBondContact O-N 3.39Å
241	N	67	Low	66.7	Low	58 Å²	58	63.9 Å²	63.9	31%	0.31	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.3	-175.8	-56.3	24.9	0	0	0	113.5	C264 G266 R588	N241-C264 WeakPolarHBondContact CB-O 3.29Å; N241-C264 PolarHBondContact ND2-O 2.56Å; N241-C264 VanDerWaalsContact ND2-O 3.1Å; N241-C264 PolarHBondContact OD1-O 2.96Å; N241-G266 PolarHBondContact OD1-N 3.23Å; N241-R588 PolarHBondContact OD1-NH2 2.86Å
242	N	58.2	Low	63.5	Low	164 Å²	164	65.2 Å²	65.2	88%	0.877	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.4	-172.4	-65.5	-9	0	0	0	114.4	G240	G240-N242 PolarHBondContact O-N 3.37Å; G240-N242 VanDerWaalsContact O-N 3.09Å
243	E	57.2	Low	60.2	Low	74 Å²	74	72 Å²	72	35%	0.346	42%	0.422	S	S	.	.			trans	-111.9	-4.5	-168.6	-71.8	168.5	-172.9	0	0	113.9	I239 G240 T245 F341 Q344	I239-E243 HydrophobicContact CG2-CB 3.72Å; G240-E243 PolarHBondContact O-N 3.39Å; E243-T245 PolarHBondContact O-N 2.96Å; E243-F341 HydrophobicContact CB-CD2 4.45Å; E243-Q344 PolarHBondContact OE1-OE1 3.28Å
244	C	42.1	Very low	57.3	Low	49 Å²	49	78.8 Å²	78.8	33%	0.331	46%	0.457	S	S	.	.			trans	-74.6	113.4	-179.8	-78.3	0	0	0	0	112	Q246	C244-Q246 PolarHBondContact O-N 2.84Å
245	T	48.7	Very low	54.2	Low	82 Å²	82	83.1 Å²	83.1	50%	0.503	50%	0.495	S	S	.	.			trans	-63.4	127.4	152.9	25.3	0	0	0	0	108.7	E243 Q247	E243-T245 PolarHBondContact O-N 2.96Å; T245-Q247 PolarHBondContact O-N 3.44Å
246	Q	39.1	Very low	51.1	Low	184 Å²	184	90.4 Å²	90.4	86%	0.86	53%	0.534	S	S	*	.			trans	-52.5	123.3	176.2	-67.6	176.5	0.2	0	0	108.9	C244 S248	C244-Q246 PolarHBondContact O-N 2.84Å; Q246-S248 PolarHBondContact O-N 2.99Å
247	Q	36.1	Very low	48	Very low	153 Å²	153	98.4 Å²	98.4	72%	0.715	58%	0.576	S	S	*	*			trans	-52.7	113	174.2	-74.7	173.3	-13.2	0	0	108	T245 G249 R267	T245-Q247 PolarHBondContact O-N 3.44Å; Q247-G249 PolarHBondContact O-N 3.19Å; Q247-G249 VanDerWaalsContact O-N 3.09Å; Q247-R267 VanDerWaalsContact NE2-NH1 3.18Å
248	S	29.2	Very low	44.8	Very low	130 Å²	130	106.6 Å²	106.6	91%	0.909	61%	0.614	S	S	*	*	S	Bend	trans	-68.4	108.9	176.1	-67.8	0	0	0	0	108.7	Q246	Q246-S248 PolarHBondContact O-N 2.99Å
249	G	28.9	Very low	41.8	Very low	64 Å²	64	111.2 Å²	111.2	66%	0.66	65%	0.651	S	S	*	*			trans	132.6	82.4	167.5	0	0	0	0	0	113.2	Q247	Q247-G249 PolarHBondContact O-N 3.19Å; Q247-G249 VanDerWaalsContact O-N 3.09Å
250	T	26.6	Very low	39	Very low	126 Å²	126	115.5 Å²	115.5	77%	0.773	68%	0.681	S	S	*	*				-167.3	104.4	125.1	-59	0	0	0	0	106.2	S252	T250-S252 PolarHBondContact O-N 2.85Å
251	V	27	Very low	36.7	Very low	129 Å²	129	120 Å²	120	78%	0.782	71%	0.71	S	S	*	*			trans	-77.5	83.2	168	-179.1	0	0	0	0	106.2
252	S	30.3	Very low	35.1	Very low	85 Å²	85	122.9 Å²	122.9	59%	0.594	73%	0.729	S	S	*	*			trans	-91.2	97.6	161.9	49.5	0	0	0	0	107	T250 D254	T250-S252 PolarHBondContact O-N 2.85Å; S252-D254 PolarHBondContact O-N 3.11Å
253	N	28.4	Very low	34.2	Very low	144 Å²	144	121 Å²	121	77%	0.77	72%	0.719	S	S	*	*			trans	-69.7	77.9	169	-75.3	-23.8	0	0	0	109
254	D	34	Very low	33.4	Very low	149 Å²	149	120.6 Å²	120.6	80%	0.797	72%	0.724	S	S	*	*			trans	-124.9	98.4	164.7	-73.9	-46.5	0	0	0	108.1	S252 D256	S252-D254 PolarHBondContact O-N 3.11Å; D254-D256 PolarHBondContact O-N 3.49Å; D254-D256 VanDerWaalsContact O-N 3.11Å
255	A	32	Very low	34.3	Very low	99 Å²	99	123 Å²	123	82%	0.818	73%	0.731	S	S	*	*			trans	-70.7	95.2	171.1	0	0	0	0	0	108.3
256	D	32	Very low	36	Very low	159 Å²	159	119.5 Å²	119.5	85%	0.85	71%	0.712	S	S	*	*			trans	-144.1	114.4	154.3	-96.9	-32.3	0	0	0	110.8	D254 Q258	D254-D256 PolarHBondContact O-N 3.49Å; D254-D256 VanDerWaalsContact O-N 3.11Å; D256-Q258 PolarHBondContact O-N 3.15Å
257	N	30.2	Very low	38.4	Very low	169 Å²	169	113.8 Å²	113.8	90%	0.904	68%	0.683	S	S	*	*			trans	-62.3	95.9	175.1	-96.2	-30.2	0	0	0	110.3
258	Q	29.1	Very low	41.2	Very low	175 Å²	175	107.3 Å²	107.3	82%	0.818	65%	0.654	S	S	*	*			trans	-133.4	114	146.8	-67.5	-171.1	21.1	0	0	107.8	D256 S260	D256-Q258 PolarHBondContact O-N 3.15Å; Q258-S260 PolarHBondContact O-N 2.78Å
259	S	30.4	Very low	44.3	Very low	123 Å²	123	102 Å²	102	86%	0.86	62%	0.616	S	S	*	*			trans	-67.4	65.6	175.8	55.7	0	0	0	0	110.5	S261	S259-S261 PolarHBondContact O-N 3.42Å
260	S	30.6	Very low	47.5	Very low	94 Å²	94	103.4 Å²	103.4	66%	0.657	60%	0.604	S	S	*	*			trans	-74.8	86.5	160.7	55.8	0	0	0	0	106.1	Q258 T262	Q258-S260 PolarHBondContact O-N 2.78Å; S260-T262 PolarHBondContact O-N 3.12Å
261	S	32.8	Very low	50.8	Low	110 Å²	110	97.7 Å²	97.7	77%	0.769	57%	0.568	S	S	*	*			trans	-61.3	86	165.8	57.3	0	0	0	0	107.2	S259 N263	S259-S261 PolarHBondContact O-N 3.42Å; S261-N263 PolarHBondContact O-N 3.3Å
262	T	34.7	Very low	54	Low	118 Å²	118	91.8 Å²	91.8	72%	0.724	53%	0.533	S	S	*	.			trans	-63	95.1	169	32.4	0	0	0	0	105.6	S260 C264	S260-T262 PolarHBondContact O-N 3.12Å; T262-C264 PolarHBondContact O-N 3.01Å
263	N	38.2	Very low	57	Low	125 Å²	125	88.1 Å²	88.1	67%	0.668	51%	0.507	S	S	*	.			trans	-63.9	86.1	175.6	-155.9	5.5	0	0	0	105.8	S261 M265	S261-N263 PolarHBondContact O-N 3.3Å; N263-M265 PolarHBondContact O-N 3.18Å
264	C	40.7	Very low	59.9	Low	65 Å²	65	81.8 Å²	81.8	44%	0.439	47%	0.474	S	S	.	.			trans	-62.1	99.1	-172.9	178.5	0	0	0	0	107.7	N241 T262 G266	N241-C264 WeakPolarHBondContact CB-O 3.29Å; N241-C264 PolarHBondContact ND2-O 2.56Å; N241-C264 VanDerWaalsContact ND2-O 3.1Å; N241-C264 PolarHBondContact OD1-O 2.96Å; T262-C264 PolarHBondContact O-N 3.01Å; C264-G266 PolarHBondContact O-N 3.47Å
265	M	62.1	Low	62.5	Low	99 Å²	99	81.4 Å²	81.4	49%	0.488	46%	0.461	S	S	.	.			trans	-59.5	131.1	175.2	-71.7	175.9	70.8	0	0	108.1	N263	N263-M265 PolarHBondContact O-N 3.18Å
266	G	82.6	Confident	65.2	Low	10 Å²	10	79.8 Å²	79.8	10%	0.103	44%	0.444	C	S	.	.			trans	-55.4	149.1	179.5	0	0	0	0	0	112.5	Y238 I239 N241 C264	Y238-G266 WeakPolarHBondContact CE2-O 3.2Å; Y238-G266 WeakPolarHBondContact OH-CA 3.16Å; Y238-G266 PolarHBondContact OH-O 3.19Å; I239-G266 CarbonylContact O-C 3.59Å; I239-G266 WeakPolarHBondContact O-CA 3.45Å; N241-G266 PolarHBondContact OD1-N 3.23Å; C264-G266 PolarHBondContact O-N 3.47Å
267	R	90.1	Very high	68.1	Low	63 Å²	63	74.7 Å²	74.7	24%	0.238	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	156.8	-167.2	64.4	178.4	178.6	-161.5	-3	112	I239 Q247 V269	I239-R267 PolarHBondContact N-O 3.46Å; I239-R267 PolarHBondContact O-N 3.02Å; Q247-R267 VanDerWaalsContact NE2-NH1 3.18Å; R267-V269 HydrophobicContact CG-CG1 4.05Å
268	V	94.7	Very high	71.1	Confident	17 Å²	17	66.8 Å²	66.8	10%	0.103	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	138.7	170.1	-178.6	0	0	0	0	108.7	L236 A237 Y238 L516 L528 L589	L236-V268 HydrophobicContact CB-CG1 3.98Å; L236-V268 HydrophobicContact CD1-CG1 3.82Å; L236-V268 HydrophobicContact CG-CG1 4.36Å; A237-V268 CarbonylContact O-C 3.6Å; A237-V268 WeakPolarHBondContact O-CA 3.14Å; Y238-V268 HydrophobicContact CD2-CG2 4.11Å; V268-L516 HydrophobicContact CG1-CB 4.43Å; V268-L528 HydrophobicContact CG2-CD2 4.46Å; V268-L589 HydrophobicContact CG2-CD2 3.96Å
269	V	94.6	Very high	74.1	Confident	19 Å²	19	66.5 Å²	66.5	12%	0.115	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.2	176.4	-57.7	0	0	0	0	111.2	L236 A237 I239 R267 I271 L283	L236-V269 CarbonylContact C-O 3.51Å; L236-V269 WeakPolarHBondContact CA-O 3.38Å; A237-V269 HydrophobicContact CB-CG2 4.48Å; A237-V269 PolarHBondContact N-O 3.25Å; A237-V269 PolarHBondContact O-N 3.24Å; I239-V269 HydrophobicContact CD1-CB 4.35Å; I239-V269 HydrophobicContact CD1-CG1 3.95Å; I239-V269 HydrophobicContact CD1-CG2 3.43Å; I239-V269 VanDerWaalsContact CD1-CG2 3.43Å; I239-V269 HydrophobicContact CG1-CG1 4.5Å; I239-V269 HydrophobicContact CG1-CG2 3.89Å; R267-V269 HydrophobicContact CG-CG1 4.05Å; V269-I271 HydrophobicContact CG2-CG2 4.25Å; V269-L283 HydrophobicContact CB-CD1 4.46Å; V269-L283 HydrophobicContact CG1-CD1 4.42Å; V269-L283 HydrophobicContact CG2-CD1 4.03Å; V269-L283 HydrophobicContact CG2-CD2 3.81Å
270	K	95.4	Very high	77	Confident	93 Å²	93	66.3 Å²	66.3	40%	0.404	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	134.2	167.8	-176.5	170.7	173.1	165.8	0	110.6	S233 R234 L235 L236 L516	S233-K270 WeakPolarHBondContact O-CE 3.31Å; S233-K270 PolarHBondContact O-NZ 3.33Å; R234-K270 HydrophobicContact CG-CD 4.42Å; L235-K270 WeakPolarHBondContact O-CA 3.19Å; L236-K270 HydrophobicContact CD2-CB 3.99Å; L236-K270 HydrophobicContact CD2-CG 4.48Å; K270-L516 HydrophobicContact CB-CD2 4.1Å
271	I	95.7	Very high	80	Confident	6 Å²	6	63 Å²	63	3%	0.031	33%	0.33	C	S	.	.			trans	-108.4	151.8	-176.9	65.4	167.4	0	0	0	112	L235 A237 V269 L283 L345 N349 L350	L235-I271 HydrophobicContact CB-CD1 4.42Å; L235-I271 HydrophobicContact CB-CG1 3.95Å; L235-I271 WeakPolarHBondContact O-CG1 3.43Å; L235-I271 PolarHBondContact O-N 3.03Å; A237-I271 HydrophobicContact CB-CG2 3.44Å; A237-I271 VanDerWaalsContact CB-CG2 3.44Å; V269-I271 HydrophobicContact CG2-CG2 4.25Å; I271-L283 HydrophobicContact CG2-CD2 4.14Å; I271-L345 HydrophobicContact CG2-CD2 3.79Å; I271-N349 HydrophobicContact CD1-CB 3.31Å; I271-L350 HydrophobicContact CD1-CD2 3.85Å
272	P	95.2	Very high	82.8	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.032	34%	0.339	C	S	.	.			trans	-77.4	138.8	175.6	32.7	-35.6	0	0	0	111.6	D277 V278 T281 L284 L292	P272-D277 HydrophobicContact CB-CB 3.52Å; P272-V278 HydrophobicContact CB-CB 4.41Å; P272-V278 HydrophobicContact CB-CG2 3.73Å; P272-V278 HydrophobicContact CG-CG2 3.99Å; P272-T281 HydrophobicContact CB-CG2 4.31Å; P272-T281 HydrophobicContact CG-CG2 4.13Å; P272-L284 HydrophobicContact CG-CD1 3.89Å; P272-L292 HydrophobicContact CG-CD2 4.09Å
273	V	92.9	Very high	85.5	Confident	8 Å²	8	65.4 Å²	65.4	5%	0.048	31%	0.311	C	S	.	.			trans	-111.5	-24.1	-177.4	-172.7	0	0	0	0	111.3	L235 D277 L350 L369 L370 M373 P380	L235-V273 HydrophobicContact CB-CG2 3.9Å; L235-V273 HydrophobicContact CD1-CG2 3.59Å; L235-V273 HydrophobicContact CD2-CG2 4.35Å; L235-V273 HydrophobicContact CG-CG2 4.13Å; V273-D277 PolarHBondContact N-OD2 2.81Å; V273-D277 VanDerWaalsContact N-OD2 3.12Å; V273-L350 HydrophobicContact CG1-CD2 4.32Å; V273-L350 HydrophobicContact CG2-CD2 4.31Å; V273-L369 HydrophobicContact CG1-CD2 4.47Å; V273-L370 WeakPolarHBondContact O-CD2 3.39Å; V273-M373 HydrophobicContact CG1-SD 4.43Å; V273-P380 HydrophobicContact CG1-CG 4.03Å
274	C	89.6	Confident	88.2	Confident	12 Å²	12	59.9 Å²	59.9	8%	0.081	28%	0.282	C	S	.	.	S	Bend	trans	-138.5	176.1	179.8	70	0	0	0	0	112.3	S276 D277 V278 M373	C274-S276 PolarHBondContact O-N 3.42Å; C274-S276 PolarHBondContact SG-OG 3.31Å; C274-D277 PolarHBondContact N-OD2 2.98Å; C274-D277 PolarHBondContact O-N 2.87Å; C274-D277 PolarHBondContact SG-OD2 2.77Å; C274-V278 WeakPolarHBondContact O-CG2 3.32Å; C274-V278 PolarHBondContact O-N 2.9Å; C274-M373 HydrophobicContact CB-CE 3.89Å; C274-M373 HydrophobicContact CB-CG 4.17Å; C274-M373 HydrophobicContact CB-SD 4.31Å; C274-M373 VanDerWaalsContact SG-CE 3.55Å
275	R	89.2	Confident	90.8	Very high	140 Å²	140	59.1 Å²	59.1	53%	0.528	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-38.7	-175.8	-167.5	179.8	179.5	119	5.1	113.5	V278 F279 E297	R275-V278 PolarHBondContact O-N 3.43Å; R275-F279 PolarHBondContact O-N 3.02Å; R275-F279 VanDerWaalsContact O-N 3.14Å; R275-E297 IonicContact CZ-OE2 3.76Å; R275-E297 IonicContact NH1-OE2 3.31Å; R275-E297 PolarHBondContact NH1-OE2 3.49Å
276	S	88.2	Confident	92.3	Very high	66 Å²	66	59.7 Å²	59.7	46%	0.462	28%	0.282	S	S	.	.	H	α-helix	trans	-64.7	-41	176.4	49	0	0	0	0	111.4	C274 F279 K280	C274-S276 PolarHBondContact O-N 3.42Å; C274-S276 PolarHBondContact SG-OG 3.31Å; S276-F279 WeakPolarHBondContact O-CB 3.27Å; S276-F279 PolarHBondContact O-N 3.18Å; S276-K280 WeakPolarHBondContact O-CG 3.4Å; S276-K280 PolarHBondContact O-N 2.7Å; S276-K280 VanDerWaalsContact O-N 3.1Å
277	D	92.6	Very high	92.9	Very high	51 Å²	51	65.2 Å²	65.2	27%	0.273	30%	0.304	S	S	.	.	H	α-helix	trans	-65.1	-40.8	175.8	-58.4	-30.3	0	0	0	112.1	P272 V273 C274 F279 K280 T281	P272-D277 HydrophobicContact CB-CB 3.52Å; V273-D277 PolarHBondContact N-OD2 2.81Å; V273-D277 VanDerWaalsContact N-OD2 3.12Å; C274-D277 PolarHBondContact N-OD2 2.98Å; C274-D277 PolarHBondContact O-N 2.87Å; C274-D277 PolarHBondContact SG-OD2 2.77Å; D277-F279 PolarHBondContact O-N 2.89Å; D277-K280 PolarHBondContact O-N 2.86Å; D277-T281 WeakPolarHBondContact O-CB 3.47Å; D277-T281 PolarHBondContact O-N 3.33Å
278	V	93.5	Very high	93.2	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.024	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-38.2	176.8	173.8	0	0	0	0	110.8	P272 C274 R275 T281 L284 K289 L292 F296	P272-V278 HydrophobicContact CB-CB 4.41Å; P272-V278 HydrophobicContact CB-CG2 3.73Å; P272-V278 HydrophobicContact CG-CG2 3.99Å; C274-V278 WeakPolarHBondContact O-CG2 3.32Å; C274-V278 PolarHBondContact O-N 2.9Å; R275-V278 PolarHBondContact O-N 3.43Å; V278-T281 WeakPolarHBondContact O-CG2 3.41Å; V278-L284 HydrophobicContact CG1-CD1 4.49Å; V278-K289 HydrophobicContact CG1-CB 3.85Å; V278-K289 HydrophobicContact CG1-CG 4.05Å; V278-K289 VanDerWaalsContact CG1-O 3.3Å; V278-K289 WeakPolarHBondContact CG1-O 3.28Å; V278-K289 VanDerWaalsContact O-CD 3.28Å; V278-K289 WeakPolarHBondContact O-CD 3.36Å; V278-K289 VanDerWaalsContact O-CE 3.29Å; V278-K289 WeakPolarHBondContact O-CE 3.23Å; V278-K289 WeakPolarHBondContact O-CG 3.49Å; V278-L292 HydrophobicContact CG2-CD2 3.7Å; V278-L292 HydrophobicContact CG2-CG 3.94Å; V278-F296 HydrophobicContact CG2-CD2 3.96Å; V278-F296 HydrophobicContact CG2-CE2 3.57Å
279	F	91.7	Very high	93.3	Very high	169 Å²	169	64.4 Å²	64.4	74%	0.741	30%	0.301	S	S	*	.	H	α-helix	trans	-66.2	-48.5	175.8	-177.2	-99.7	0	0	0	111.5	R275 S276 D277 K289	R275-F279 PolarHBondContact O-N 3.02Å; R275-F279 VanDerWaalsContact O-N 3.14Å; S276-F279 WeakPolarHBondContact O-CB 3.27Å; S276-F279 PolarHBondContact O-N 3.18Å; D277-F279 PolarHBondContact O-N 2.89Å; F279-K289 PolarHBondContact O-NZ 3.15Å
280	K	91.9	Very high	93.3	Very high	119 Å²	119	71.7 Å²	71.7	52%	0.517	33%	0.327	S	S	.	.	H	α-helix	trans	-72.6	-30.8	-175.1	-66.9	-176.4	-176.8	-166.4	0	114.1	E154 S276 D277	E154-K280 IonicContact OE2-NZ 3.62Å; E154-K280 PolarHBondContact OE2-NZ 2.82Å; S276-K280 WeakPolarHBondContact O-CG 3.4Å; S276-K280 PolarHBondContact O-N 2.7Å; S276-K280 VanDerWaalsContact O-N 3.1Å; D277-K280 PolarHBondContact O-N 2.86Å
281	T	93.1	Very high	93.4	Very high	24 Å²	24	68.7 Å²	68.7	15%	0.147	32%	0.317	C	S	.	.			trans	-65.7	143.4	-171.9	-172.8	0	0	0	0	113.2	P272 D277 V278 L283 L284 K289	P272-T281 HydrophobicContact CB-CG2 4.31Å; P272-T281 HydrophobicContact CG-CG2 4.13Å; D277-T281 WeakPolarHBondContact O-CB 3.47Å; D277-T281 PolarHBondContact O-N 3.33Å; V278-T281 WeakPolarHBondContact O-CG2 3.41Å; T281-L283 VanDerWaalsContact OG1-CB 3.29Å; T281-L283 WeakPolarHBondContact OG1-CB 3.08Å; T281-L283 PolarHBondContact OG1-N 3.25Å; T281-L283 VanDerWaalsContact OG1-N 3.13Å; T281-L284 HydrophobicContact CG2-CB 4.28Å; T281-L284 HydrophobicContact CG2-CD1 4.15Å; T281-L284 HydrophobicContact CG2-CG 4.09Å; T281-K289 WeakPolarHBondContact O-CE 3.46Å; T281-K289 PolarHBondContact O-NZ 2.8Å
282	R	92.1	Very high	93.4	Very high	251 Å²	251	68.5 Å²	68.5	95%	0.947	32%	0.316	S	S	*	.	S	Bend	trans	-94.7	-2.3	170.1	-62.9	-178.4	-176.3	171.7	1.5	113	L284	R282-L284 VanDerWaalsContact C-N 3.35Å
283	L	91.8	Very high	93.4	Very high	27 Å²	27	68.5 Å²	68.5	14%	0.141	32%	0.318	C	S	.	.	S	Bend	trans	-68.6	-33.8	-178.3	-179.8	61	0	0	0	112.8	I239 V269 I271 T281 F341	I239-L283 HydrophobicContact CD1-CD1 3.65Å; V269-L283 HydrophobicContact CB-CD1 4.46Å; V269-L283 HydrophobicContact CG1-CD1 4.42Å; V269-L283 HydrophobicContact CG2-CD1 4.03Å; V269-L283 HydrophobicContact CG2-CD2 3.81Å; I271-L283 HydrophobicContact CG2-CD2 4.14Å; T281-L283 VanDerWaalsContact OG1-CB 3.29Å; T281-L283 WeakPolarHBondContact OG1-CB 3.08Å; T281-L283 PolarHBondContact OG1-N 3.25Å; T281-L283 VanDerWaalsContact OG1-N 3.13Å; L283-F341 HydrophobicContact CD1-CZ 4.17Å; L283-F341 HydrophobicContact CD2-CE1 4.36Å; L283-F341 HydrophobicContact CD2-CZ 4.08Å; L283-F341 HydrophobicContact CG-CE1 4.2Å; L283-F341 HydrophobicContact CG-CZ 4.16Å
284	L	93.8	Very high	93.6	Very high	10 Å²	10	70.9 Å²	70.9	5%	0.052	34%	0.338	C	S	.	.	S	Bend	trans	-104.8	138.5	-171.4	-60.2	179.9	0	0	0	111.5	P272 V278 T281 R282 Q288 K289 L292 F341 L345	P272-L284 HydrophobicContact CG-CD1 3.89Å; V278-L284 HydrophobicContact CG1-CD1 4.49Å; T281-L284 HydrophobicContact CG2-CB 4.28Å; T281-L284 HydrophobicContact CG2-CD1 4.15Å; T281-L284 HydrophobicContact CG2-CG 4.09Å; R282-L284 VanDerWaalsContact C-N 3.35Å; L284-Q288 HydrophobicContact CB-CB 3.97Å; L284-Q288 HydrophobicContact CD2-CB 4.23Å; L284-K289 HydrophobicContact CB-CG 3.73Å; L284-K289 WeakPolarHBondContact O-CE 3.36Å; L284-L292 HydrophobicContact CD1-CD2 3.57Å; L284-F341 HydrophobicContact CD2-CD1 4.18Å; L284-F341 HydrophobicContact CD2-CE1 3.73Å; L284-L345 HydrophobicContact CD2-CD1 4.32Å
285	S	95.1	Very high	93.9	Very high	49 Å²	49	70.4 Å²	70.4	34%	0.343	34%	0.335	S	S	.	.			trans	-62.2	159.9	167.2	67.5	0	0	0	0	111.2	H287 Q288 K289	S285-H287 PolarHBondContact O-N 3.06Å; S285-Q288 PolarHBondContact O-N 3Å; S285-Q288 VanDerWaalsContact O-N 3.12Å; S285-Q288 WeakPolarHBondContact OG-CB 3.45Å; S285-Q288 WeakPolarHBondContact OG-CG 3.14Å; S285-Q288 PolarHBondContact OG-N 2.76Å; S285-Q288 PolarHBondContact OG-OE1 3.14Å; S285-K289 WeakPolarHBondContact O-CG 3.41Å; S285-K289 PolarHBondContact O-N 3.2Å
286	L	95	Very high	94.2	Very high	111 Å²	111	64 Å²	64	58%	0.581	31%	0.311	S	S	*	.	H	α-helix	trans	-58.3	-35	179.5	-172.9	62.9	0	0	0	112.8	R290	L286-R290 WeakPolarHBondContact O-CG 3.4Å; L286-R290 PolarHBondContact O-N 3.15Å; L286-R290 VanDerWaalsContact O-N 3.11Å
287	H	94.3	Very high	94.5	Very high	126 Å²	126	64.8 Å²	64.8	58%	0.583	31%	0.307	S	S	*	.	H	α-helix	trans	-65.2	-50.3	174.7	178	-90.6	0	0	0	111.3	S285 K289 R290 S291	S285-H287 PolarHBondContact O-N 3.06Å; H287-K289 VanDerWaalsContact C-N 3.29Å; H287-K289 PolarHBondContact O-N 2.9Å; H287-R290 PolarHBondContact O-N 3.47Å; H287-R290 VanDerWaalsContact O-N 3.17Å; H287-S291 PolarHBondContact O-N 2.98Å; H287-S291 PolarHBondContact O-OG 3.41Å
288	Q	96.3	Very high	94.6	Very high	14 Å²	14	63.9 Å²	63.9	7%	0.065	30%	0.3	C	S	.	.	H	α-helix	trans	-57.6	-42.8	176.4	-75.4	167.1	-46	0	0	111.7	L284 S285 R290 S291 L292 D339	L284-Q288 HydrophobicContact CB-CB 3.97Å; L284-Q288 HydrophobicContact CD2-CB 4.23Å; S285-Q288 PolarHBondContact O-N 3Å; S285-Q288 VanDerWaalsContact O-N 3.12Å; S285-Q288 WeakPolarHBondContact OG-CB 3.45Å; S285-Q288 WeakPolarHBondContact OG-CG 3.14Å; S285-Q288 PolarHBondContact OG-N 2.76Å; S285-Q288 PolarHBondContact OG-OE1 3.14Å; Q288-R290 PolarHBondContact O-N 3.08Å; Q288-S291 PolarHBondContact O-N 3.04Å; Q288-L292 VanDerWaalsContact O-CB 3.23Å; Q288-L292 WeakPolarHBondContact O-CB 3.4Å; Q288-L292 PolarHBondContact O-N 3.24Å; Q288-D339 WeakPolarHBondContact CG-OD1 3.43Å; Q288-D339 PolarHBondContact NE2-OD2 3.38Å
289	K	96.5	Very high	94.6	Very high	48 Å²	48	63.7 Å²	63.7	21%	0.209	30%	0.299	C	S	.	.	H	α-helix	trans	-58.2	-46.2	175.9	-71.4	-175.8	176.1	-166.6	0	112.5	V278 F279 T281 L284 S285 H287 G293	V278-K289 HydrophobicContact CG1-CB 3.85Å; V278-K289 HydrophobicContact CG1-CG 4.05Å; V278-K289 VanDerWaalsContact CG1-O 3.3Å; V278-K289 WeakPolarHBondContact CG1-O 3.28Å; V278-K289 VanDerWaalsContact O-CD 3.28Å; V278-K289 WeakPolarHBondContact O-CD 3.36Å; V278-K289 VanDerWaalsContact O-CE 3.29Å; V278-K289 WeakPolarHBondContact O-CE 3.23Å; V278-K289 WeakPolarHBondContact O-CG 3.49Å; F279-K289 PolarHBondContact O-NZ 3.15Å; T281-K289 WeakPolarHBondContact O-CE 3.46Å; T281-K289 PolarHBondContact O-NZ 2.8Å; L284-K289 HydrophobicContact CB-CG 3.73Å; L284-K289 WeakPolarHBondContact O-CE 3.36Å; S285-K289 WeakPolarHBondContact O-CG 3.41Å; S285-K289 PolarHBondContact O-N 3.2Å; H287-K289 VanDerWaalsContact C-N 3.29Å; H287-K289 PolarHBondContact O-N 2.9Å; K289-G293 PolarHBondContact O-N 3.18Å
290	R	96	Very high	94.5	Very high	172 Å²	172	59.9 Å²	59.9	65%	0.649	28%	0.282	S	S	*	.	H	α-helix	trans	-63.3	-48.5	179	-73.4	176.2	-174.7	168.4	1.5	111.2	L286 H287 Q288 G293 A294	L286-R290 WeakPolarHBondContact O-CG 3.4Å; L286-R290 PolarHBondContact O-N 3.15Å; L286-R290 VanDerWaalsContact O-N 3.11Å; H287-R290 PolarHBondContact O-N 3.47Å; H287-R290 VanDerWaalsContact O-N 3.17Å; Q288-R290 PolarHBondContact O-N 3.08Å; R290-G293 PolarHBondContact O-N 3.19Å; R290-A294 WeakPolarHBondContact O-CB 3.38Å; R290-A294 PolarHBondContact O-N 2.9Å
291	S	96.2	Very high	94.4	Very high	30 Å²	30	60.1 Å²	60.1	21%	0.21	29%	0.285	C	S	.	.	H	α-helix	trans	-68.3	-41.5	-177.5	-55.3	0	0	0	0	112.5	H287 Q288 A294 F295	H287-S291 PolarHBondContact O-N 2.98Å; H287-S291 PolarHBondContact O-OG 3.41Å; Q288-S291 PolarHBondContact O-N 3.04Å; S291-A294 PolarHBondContact O-N 3.48Å; S291-F295 WeakPolarHBondContact O-CB 3.25Å; S291-F295 PolarHBondContact O-N 2.85Å
292	L	96.6	Very high	94.2	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-67.7	-41.6	175.9	-178	59	0	0	0	111.8	P272 V278 L284 Q288 A294 F295 F296 T342 L346	P272-L292 HydrophobicContact CG-CD2 4.09Å; V278-L292 HydrophobicContact CG2-CD2 3.7Å; V278-L292 HydrophobicContact CG2-CG 3.94Å; L284-L292 HydrophobicContact CD1-CD2 3.57Å; Q288-L292 VanDerWaalsContact O-CB 3.23Å; Q288-L292 WeakPolarHBondContact O-CB 3.4Å; Q288-L292 PolarHBondContact O-N 3.24Å; L292-A294 VanDerWaalsContact C-N 3.34Å; L292-A294 PolarHBondContact O-N 3.21Å; L292-F295 HydrophobicContact CD1-CD1 4.27Å; L292-F295 WeakPolarHBondContact O-CB 3.23Å; L292-F295 PolarHBondContact O-N 3.29Å; L292-F296 HydrophobicContact CD1-CD1 4.42Å; L292-F296 HydrophobicContact CD1-CE1 3.96Å; L292-F296 HydrophobicContact CD1-CE2 4.17Å; L292-F296 HydrophobicContact CD1-CZ 3.83Å; L292-F296 HydrophobicContact CD2-CE2 4.31Å; L292-F296 HydrophobicContact CD2-CZ 4.39Å; L292-F296 HydrophobicContact CG-CD2 4.37Å; L292-F296 HydrophobicContact CG-CE2 3.98Å; L292-F296 HydrophobicContact CG-CZ 4.11Å; L292-F296 PolarHBondContact O-N 2.96Å; L292-T342 HydrophobicContact CB-CG2 4.12Å; L292-T342 HydrophobicContact CD1-CG2 3.96Å; L292-T342 HydrophobicContact CD2-CG2 4.38Å; L292-T342 HydrophobicContact CG-CG2 4.38Å; L292-L346 HydrophobicContact CD1-CD1 4.33Å; L292-L346 HydrophobicContact CD1-CD2 3.7Å; L292-L346 HydrophobicContact CD1-CG 4.2Å
293	G	95.7	Very high	93.6	Very high	6 Å²	6	50.6 Å²	50.6	6%	0.062	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-42.2	173.9	0	0	0	0	0	112.4	K289 R290 F296 E297	K289-G293 PolarHBondContact O-N 3.18Å; R290-G293 PolarHBondContact O-N 3.19Å; G293-F296 PolarHBondContact O-N 3.04Å; G293-E297 PolarHBondContact O-N 3.21Å
294	A	95.8	Very high	92.7	Very high	57 Å²	57	51.3 Å²	51.3	47%	0.471	25%	0.254	S	S	.	.	H	α-helix	trans	-65.9	-36.8	174.3	0	0	0	0	0	112.5	R290 S291 L292 W298	R290-A294 WeakPolarHBondContact O-CB 3.38Å; R290-A294 PolarHBondContact O-N 2.9Å; S291-A294 PolarHBondContact O-N 3.48Å; L292-A294 VanDerWaalsContact C-N 3.34Å; L292-A294 PolarHBondContact O-N 3.21Å; A294-W298 WeakPolarHBondContact O-CB 3.47Å; A294-W298 PolarHBondContact O-N 2.83Å
295	F	96.8	Very high	91	Very high	2 Å²	2	53 Å²	53	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-46.6	173.1	169.2	-94.1	0	0	0	111.7	S291 L292 E297 W298 C299 F328 L332 R336 L338 L346 I363 I366	S291-F295 WeakPolarHBondContact O-CB 3.25Å; S291-F295 PolarHBondContact O-N 2.85Å; L292-F295 HydrophobicContact CD1-CD1 4.27Å; L292-F295 WeakPolarHBondContact O-CB 3.23Å; L292-F295 PolarHBondContact O-N 3.29Å; F295-E297 VanDerWaalsContact C-N 3.34Å; F295-E297 PolarHBondContact O-N 3.02Å; F295-W298 AromaticContact CD2-CE3 3.97Å; F295-W298 HydrophobicContact CD2-CE3 3.97Å; F295-W298 HydrophobicContact CD2-CZ3 4.1Å; F295-W298 AromaticContact CE2-CE3 4Å; F295-W298 HydrophobicContact CE2-CE3 4Å; F295-W298 AromaticContact CE2-CZ3 3.71Å; F295-W298 HydrophobicContact CE2-CZ3 3.71Å; F295-W298 PolarHBondContact O-N 3.33Å; F295-C299 HydrophobicContact CE1-CB 4.22Å; F295-C299 HydrophobicContact CZ-CB 4.17Å; F295-C299 WeakPolarHBondContact O-CB 3.35Å; F295-C299 PolarHBondContact O-N 3.25Å; F295-F328 HydrophobicContact CE2-CE2 4.32Å; F295-F328 HydrophobicContact CE2-CZ 4.14Å; F295-F328 HydrophobicContact CZ-CE2 4.38Å; F295-F328 AromaticContact CZ-CZ 3.82Å; F295-F328 HydrophobicContact CZ-CZ 3.82Å; F295-L332 HydrophobicContact CD2-CD2 4.19Å; F295-L332 HydrophobicContact CE2-CD2 3.8Å; F295-L332 HydrophobicContact CZ-CD2 4.42Å; F295-R336 HydrophobicContact CD2-CG 4.1Å; F295-L338 HydrophobicContact CG-CD1 4.5Å; F295-L346 HydrophobicContact CD1-CD1 3.75Å; F295-L346 HydrophobicContact CD1-CD2 3.86Å; F295-L346 HydrophobicContact CD1-CG 4.48Å; F295-L346 HydrophobicContact CD2-CD1 4.38Å; F295-L346 HydrophobicContact CE1-CD1 3.66Å; F295-L346 HydrophobicContact CE1-CD2 3.53Å; F295-L346 HydrophobicContact CE1-CG 4.22Å; F295-L346 HydrophobicContact CE2-CD1 4.28Å; F295-L346 HydrophobicContact CG-CD1 4.13Å; F295-L346 HydrophobicContact CZ-CD1 3.95Å; F295-L346 HydrophobicContact CZ-CD2 4.4Å; F295-I363 HydrophobicContact CE2-CD1 4.27Å; F295-I363 HydrophobicContact CZ-CD1 4.17Å; F295-I366 HydrophobicContact CE1-CD1 4.37Å; F295-I366 HydrophobicContact CE1-CG2 4.27Å; F295-I366 HydrophobicContact CZ-CD1 4.21Å
296	F	96	Very high	88.4	Confident	6 Å²	6	54.6 Å²	54.6	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-41.8	177.6	-72.7	-25.7	0	0	0	112.4	V278 L292 G293 C299 F300 L346 L350 L370	V278-F296 HydrophobicContact CG2-CD2 3.96Å; V278-F296 HydrophobicContact CG2-CE2 3.57Å; L292-F296 HydrophobicContact CD1-CD1 4.42Å; L292-F296 HydrophobicContact CD1-CE1 3.96Å; L292-F296 HydrophobicContact CD1-CE2 4.17Å; L292-F296 HydrophobicContact CD1-CZ 3.83Å; L292-F296 HydrophobicContact CD2-CE2 4.31Å; L292-F296 HydrophobicContact CD2-CZ 4.39Å; L292-F296 HydrophobicContact CG-CD2 4.37Å; L292-F296 HydrophobicContact CG-CE2 3.98Å; L292-F296 HydrophobicContact CG-CZ 4.11Å; L292-F296 PolarHBondContact O-N 2.96Å; G293-F296 PolarHBondContact O-N 3.04Å; F296-C299 PolarHBondContact O-N 2.81Å; F296-F300 VanDerWaalsContact O-CB 3.28Å; F296-F300 WeakPolarHBondContact O-CB 3.45Å; F296-F300 PolarHBondContact O-N 3.13Å; F296-L346 HydrophobicContact CE1-CD2 3.86Å; F296-L346 HydrophobicContact CZ-CD2 4.46Å; F296-L350 HydrophobicContact CE1-CD1 3.76Å; F296-L350 HydrophobicContact CZ-CD1 3.63Å; F296-L370 HydrophobicContact CD1-CD1 4.29Å; F296-L370 HydrophobicContact CD1-CD2 4.22Å; F296-L370 HydrophobicContact CG-CD2 4.3Å
297	E	93.9	Very high	86	Confident	82 Å²	82	54.5 Å²	54.5	38%	0.383	27%	0.272	S	S	.	.	H	α-helix	trans	-57.4	-52.7	175.4	-167.4	70.2	-165.3	0	0	111.4	R275 G293 F295 C299 F300 H301	R275-E297 IonicContact CZ-OE2 3.76Å; R275-E297 IonicContact NH1-OE2 3.31Å; R275-E297 PolarHBondContact NH1-OE2 3.49Å; G293-E297 PolarHBondContact O-N 3.21Å; F295-E297 VanDerWaalsContact C-N 3.34Å; F295-E297 PolarHBondContact O-N 3.02Å; E297-C299 PolarHBondContact O-N 3.48Å; E297-F300 PolarHBondContact O-N 2.93Å; E297-H301 PolarHBondContact O-CD2 3.43Å; E297-H301 PolarHBondContact O-N 3.18Å; E297-H301 VanDerWaalsContact O-N 3.09Å; E297-H301 IonicContact OE1-CD2 3.2Å; E297-H301 IonicContact OE1-NE2 3.22Å; E297-H301 PolarHBondContact OE1-NE2 2.89Å
298	W	94.5	Very high	83.3	Confident	33 Å²	33	56 Å²	56	13%	0.125	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-47.8	177.5	167.4	75.4	0	0	0	111.4	A294 F295 F300 H301 L302 D317 L331 R336 I363	A294-W298 WeakPolarHBondContact O-CB 3.47Å; A294-W298 PolarHBondContact O-N 2.83Å; F295-W298 AromaticContact CD2-CE3 3.97Å; F295-W298 HydrophobicContact CD2-CE3 3.97Å; F295-W298 HydrophobicContact CD2-CZ3 4.1Å; F295-W298 AromaticContact CE2-CE3 4Å; F295-W298 HydrophobicContact CE2-CE3 4Å; F295-W298 AromaticContact CE2-CZ3 3.71Å; F295-W298 HydrophobicContact CE2-CZ3 3.71Å; F295-W298 PolarHBondContact O-N 3.33Å; W298-F300 VanDerWaalsContact C-N 3.26Å; W298-F300 PolarHBondContact O-N 3.22Å; W298-H301 PolarHBondContact O-N 2.86Å; W298-L302 HydrophobicContact CH2-CD2 4.19Å; W298-L302 HydrophobicContact CZ2-CD1 3.87Å; W298-L302 HydrophobicContact CZ2-CD2 4.04Å; W298-L302 WeakPolarHBondContact O-CB 3.5Å; W298-L302 PolarHBondContact O-N 3.47Å; W298-D317 PolarHBondContact NE1-OD2 2.77Å; W298-L331 HydrophobicContact CH2-CD1 4.39Å; W298-L331 HydrophobicContact CH2-CD2 3.8Å; W298-L331 HydrophobicContact CZ3-CD2 4.01Å; W298-R336 VanDerWaalsContact CE2-CZ 3.47Å; W298-R336 VanDerWaalsContact CG-CZ 3.48Å; W298-I363 HydrophobicContact CH2-CD1 3.92Å; W298-I363 HydrophobicContact CZ3-CD1 3.64Å
299	C	93.3	Very high	80.6	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.5	-36	-178.3	-170.5	0	0	0	0	111.4	F295 F296 E297 R367 L370	F295-C299 HydrophobicContact CE1-CB 4.22Å; F295-C299 HydrophobicContact CZ-CB 4.17Å; F295-C299 WeakPolarHBondContact O-CB 3.35Å; F295-C299 PolarHBondContact O-N 3.25Å; F296-C299 PolarHBondContact O-N 2.81Å; E297-C299 PolarHBondContact O-N 3.48Å; C299-R367 WeakPolarHBondContact O-CD 3.08Å; C299-R367 VanDerWaalsContact O-CG 3.26Å; C299-R367 WeakPolarHBondContact O-CG 3.35Å; C299-R367 PolarHBondContact O-NH1 2.71Å; C299-L370 HydrophobicContact CB-CD1 4.28Å
300	F	89.9	Confident	77.7	Confident	89 Å²	89	59.2 Å²	59.2	39%	0.39	32%	0.321	S	S	.	.	H	α-helix	trans	-69.8	-43	176.7	-173.4	-94.6	0	0	0	112.5	F296 E297 W298 R367 L370 F371	F296-F300 VanDerWaalsContact O-CB 3.28Å; F296-F300 WeakPolarHBondContact O-CB 3.45Å; F296-F300 PolarHBondContact O-N 3.13Å; E297-F300 PolarHBondContact O-N 2.93Å; W298-F300 VanDerWaalsContact C-N 3.26Å; W298-F300 PolarHBondContact O-N 3.22Å; F300-R367 PolarHBondContact O-NH1 3.47Å; F300-L370 HydrophobicContact CB-CD1 4.44Å; F300-L370 HydrophobicContact CD2-CB 4.1Å; F300-F371 AromaticContact CD2-CD1 3.95Å; F300-F371 HydrophobicContact CD2-CD1 3.95Å; F300-F371 AromaticContact CD2-CE1 3.71Å; F300-F371 HydrophobicContact CD2-CE1 3.71Å; F300-F371 HydrophobicContact CE1-CE1 4.4Å; F300-F371 AromaticContact CE2-CD1 3.43Å; F300-F371 HydrophobicContact CE2-CD1 3.43Å; F300-F371 VanDerWaalsContact CE2-CD1 3.43Å; F300-F371 AromaticContact CE2-CE1 3.44Å; F300-F371 HydrophobicContact CE2-CE1 3.44Å; F300-F371 VanDerWaalsContact CE2-CE1 3.44Å; F300-F371 HydrophobicContact CG-CE1 4.31Å; F300-F371 HydrophobicContact CZ-CD1 4.05Å; F300-F371 AromaticContact CZ-CE1 3.82Å; F300-F371 HydrophobicContact CZ-CE1 3.82Å
301	H	90.1	Very high	75	Confident	123 Å²	123	57.8 Å²	57.8	57%	0.569	33%	0.332	S	S	*	.	H	α-helix	trans	-84.7	-5	-178.5	-73.8	-66.7	0	0	0	115	E297 W298 I303	E297-H301 PolarHBondContact O-CD2 3.43Å; E297-H301 PolarHBondContact O-N 3.18Å; E297-H301 VanDerWaalsContact O-N 3.09Å; E297-H301 IonicContact OE1-CD2 3.2Å; E297-H301 IonicContact OE1-NE2 3.22Å; E297-H301 PolarHBondContact OE1-NE2 2.89Å; W298-H301 PolarHBondContact O-N 2.86Å; H301-I303 PolarHBondContact O-N 3.32Å
302	L	88.1	Confident	72.4	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.026	35%	0.347	C	S	.	.			trans	-58.9	127.9	179.6	-174.4	66	0	0	0	112.5	W298 I304 D317 Y320 I363 R367	W298-L302 HydrophobicContact CH2-CD2 4.19Å; W298-L302 HydrophobicContact CZ2-CD1 3.87Å; W298-L302 HydrophobicContact CZ2-CD2 4.04Å; W298-L302 WeakPolarHBondContact O-CB 3.5Å; W298-L302 PolarHBondContact O-N 3.47Å; L302-I304 HydrophobicContact CD2-CD1 3.93Å; L302-I304 HydrophobicContact CD2-CG1 3.72Å; L302-I304 HydrophobicContact CG-CD1 4.43Å; L302-I304 HydrophobicContact CG-CG1 3.79Å; L302-D317 HydrophobicContact CD1-CB 3.41Å; L302-D317 VanDerWaalsContact CD1-CB 3.41Å; L302-Y320 HydrophobicContact CD1-CG 4.16Å; L302-Y320 HydrophobicContact CD2-CD1 4.47Å; L302-Y320 HydrophobicContact CD2-CD2 3.68Å; L302-Y320 HydrophobicContact CD2-CE2 4.11Å; L302-Y320 HydrophobicContact CD2-CG 3.86Å; L302-Y320 HydrophobicContact CG-CG 4.5Å; L302-I363 HydrophobicContact CD2-CG2 3.66Å; L302-R367 VanDerWaalsContact O-CZ 3.26Å; L302-R367 PolarHBondContact O-NH1 2.66Å; L302-R367 VanDerWaalsContact O-NH1 3.11Å; L302-R367 PolarHBondContact O-NH2 3.06Å; L302-R367 VanDerWaalsContact O-NH2 3.07Å
303	I	80.4	Confident	70	Confident	71 Å²	71	69.8 Å²	69.8	36%	0.364	39%	0.39	S	S	.	.			trans	-93.4	100.8	176.1	-57.1	175.9	0	0	0	108	H301 S314	H301-I303 PolarHBondContact O-N 3.32Å; I303-S314 WeakPolarHBondContact CD1-OG 3.41Å
304	I	72.7	Confident	68	Low	41 Å²	41	71.5 Å²	71.5	21%	0.21	40%	0.401	C	S	.	.			trans	-87.2	-40.7	-173.5	-63.4	179	0	0	0	111.4	L302 Y320 I363 R367	L302-I304 HydrophobicContact CD2-CD1 3.93Å; L302-I304 HydrophobicContact CD2-CG1 3.72Å; L302-I304 HydrophobicContact CG-CD1 4.43Å; L302-I304 HydrophobicContact CG-CG1 3.79Å; I304-Y320 HydrophobicContact CG1-CE1 4.42Å; I304-Y320 HydrophobicContact CG2-CE1 4.21Å; I304-I363 HydrophobicContact CD1-CG2 3.52Å; I304-R367 VanDerWaalsContact CD1-CD 3.43Å
305	N	57.4	Low	66.5	Low	47 Å²	47	77 Å²	77	25%	0.251	42%	0.417	S	S	.	.	S	Bend	trans	-172	138	166.7	-74.6	-56.7	0	0	0	107.3	T307 K316 I685	N305-T307 PolarHBondContact O-N 3.41Å; N305-K316 PolarHBondContact OD1-NZ 2.96Å; N305-I685 VanDerWaalsContact ND2-CD1 3.27Å; N305-I685 WeakPolarHBondContact ND2-CD1 3.39Å
306	D	42	Very low	65.4	Low	82 Å²	82	82.3 Å²	82.3	44%	0.439	44%	0.44	S	S	.	.			trans	-54	95.1	-176.2	-79.1	-33.7	0	0	0	113.1	Q308	D306-Q308 VanDerWaalsContact C-N 3.32Å
307	T	43.3	Very low	64.8	Low	109 Å²	109	84.1 Å²	84.1	67%	0.669	45%	0.45	S	S	*	.	S	Bend	trans	-81.7	-19.5	157.6	46.1	0	0	0	0	111.4	N305 V684	N305-T307 PolarHBondContact O-N 3.41Å; T307-V684 HydrophobicContact CG2-CG1 4.43Å
308	Q	38.1	Very low	64.5	Low	156 Å²	156	87.7 Å²	87.7	73%	0.729	47%	0.467	S	S	*	.	S	Bend	trans	-104.8	118.5	174.5	-58.4	-175.7	30.1	0	0	105.7	D306 S310	D306-Q308 VanDerWaalsContact C-N 3.32Å; Q308-S310 PolarHBondContact O-N 2.64Å
309	G	38.8	Very low	64.2	Low	74 Å²	74	88.6 Å²	88.6	76%	0.763	47%	0.474	S	S	*	.			trans	-66.9	55.1	179.4	0	0	0	0	0	112.9	T311	G309-T311 PolarHBondContact O-N 2.85Å
310	S	35.6	Very low	64.2	Low	56 Å²	56	88.9 Å²	88.9	39%	0.392	48%	0.475	S	S	.	.			trans	-75.6	105.4	173.5	-168.5	0	0	0	0	106.9	Q308 T312	Q308-S310 PolarHBondContact O-N 2.64Å; S310-T312 PolarHBondContact O-N 2.96Å; S310-T312 PolarHBondContact OG-OG1 2.57Å
311	T	40.8	Very low	64.2	Low	142 Å²	142	87.2 Å²	87.2	87%	0.871	47%	0.474	S	S	*	.			trans	-61.2	16	170.9	37.6	0	0	0	0	114	G309	G309-T311 PolarHBondContact O-N 2.85Å
312	T	41.7	Very low	64.4	Low	87 Å²	87	83.7 Å²	83.7	53%	0.534	47%	0.466	S	S	.	.	S	Bend	trans	-91.5	124.9	173	53.2	0	0	0	0	107.7	S310 S314	S310-T312 PolarHBondContact O-N 2.96Å; S310-T312 PolarHBondContact OG-OG1 2.57Å; T312-S314 PolarHBondContact O-N 2.95Å
313	H	44.8	Very low	64.8	Low	198 Å²	198	84.9 Å²	84.9	92%	0.917	47%	0.471	S	S	*	.			trans	-59.5	68.4	170.6	-70.8	-82.8	0	0	0	110.6	E315	H313-E315 PolarHBondContact O-N 2.86Å
314	S	54.9	Low	65.4	Low	41 Å²	41	84.1 Å²	84.1	29%	0.287	47%	0.465	S	S	.	.			trans	-76	108.1	175.1	65.2	0	0	0	0	107.1	I303 T312 K316	I303-S314 WeakPolarHBondContact CD1-OG 3.41Å; T312-S314 PolarHBondContact O-N 2.95Å; S314-K316 PolarHBondContact O-N 2.75Å
315	E	63.7	Low	66.5	Low	172 Å²	172	86.6 Å²	86.6	80%	0.804	48%	0.479	S	S	*	.			trans	-56.9	129.1	175.6	-71.2	176.7	166.7	0	0	108.5	H313 D317	H313-E315 PolarHBondContact O-N 2.86Å; E315-D317 PolarHBondContact O-N 3.22Å
316	K	72.5	Confident	68.3	Low	114 Å²	114	90 Å²	90	50%	0.496	49%	0.489	S	S	.	.			trans	-57	136.8	173.5	-70.2	-172.3	168.6	-160.3	0	108.5	N305 S314 E318	N305-K316 PolarHBondContact OD1-NZ 2.96Å; S314-K316 PolarHBondContact O-N 2.75Å; K316-E318 PolarHBondContact O-N 3Å
317	D	85.3	Confident	71	Confident	44 Å²	44	88.5 Å²	88.5	24%	0.235	48%	0.483	C	S	.	.			trans	-58.9	106.2	177.8	-176.4	-66.6	0	0	0	109.6	W298 L302 E315 D319 Y320 C321	W298-D317 PolarHBondContact NE1-OD2 2.77Å; L302-D317 HydrophobicContact CD1-CB 3.41Å; L302-D317 VanDerWaalsContact CD1-CB 3.41Å; E315-D317 PolarHBondContact O-N 3.22Å; D317-D319 PolarHBondContact O-N 2.74Å; D317-D319 WeakPolarHBondContact OD1-CA 3.45Å; D317-D319 VanDerWaalsContact OD1-CB 3.3Å; D317-D319 WeakPolarHBondContact OD1-CB 3.43Å; D317-D319 PolarHBondContact OD1-N 2.71Å; D317-Y320 PolarHBondContact O-N 3Å; D317-Y320 VanDerWaalsContact O-N 3.13Å; D317-Y320 PolarHBondContact OD1-N 2.92Å; D317-C321 PolarHBondContact O-N 3.01Å
318	E	87.1	Confident	73.6	Confident	158 Å²	158	83.3 Å²	83.3	74%	0.738	45%	0.452	S	S	*	.	H	α-helix	trans	-58.1	-34.5	-175.7	-64.8	-173.5	163.2	0	0	111.5	K316 C321 A322	K316-E318 PolarHBondContact O-N 3Å; E318-C321 PolarHBondContact O-N 3.44Å; E318-A322 WeakPolarHBondContact O-CB 3.44Å; E318-A322 PolarHBondContact O-N 3.16Å
319	D	87.6	Confident	76.4	Confident	51 Å²	51	77.9 Å²	77.9	27%	0.273	43%	0.426	S	S	.	.	H	α-helix	trans	-67.8	-39.5	179.2	-68.8	-30.2	0	0	0	111.8	D317 Y323 K335	D317-D319 PolarHBondContact O-N 2.74Å; D317-D319 WeakPolarHBondContact OD1-CA 3.45Å; D317-D319 VanDerWaalsContact OD1-CB 3.3Å; D317-D319 WeakPolarHBondContact OD1-CB 3.43Å; D317-D319 PolarHBondContact OD1-N 2.71Å; D319-Y323 WeakPolarHBondContact O-CD2 3.42Å; D319-K335 HydrophobicContact CB-CD 4.22Å; D319-K335 HydrophobicContact CB-CG 4.24Å; D319-K335 VanDerWaalsContact OD1-CE 3.29Å; D319-K335 WeakPolarHBondContact OD1-CE 3.3Å; D319-K335 IonicContact OD1-NZ 2.62Å; D319-K335 PolarHBondContact OD1-NZ 3.25Å; D319-K335 WeakPolarHBondContact OD2-CE 3.49Å; D319-K335 IonicContact OD2-NZ 3.9Å; D319-K335 PolarHBondContact OD2-NZ 3.49Å
320	Y	92.9	Very high	79.2	Confident	7 Å²	7	76.6 Å²	76.6	3%	0.027	40%	0.402	C	S	.	.	H	α-helix	trans	-67.5	-49.1	173.1	171.5	-107	0	0	0	111.1	L302 I304 D317 A322 Y323 E324 T359 I363	L302-Y320 HydrophobicContact CD1-CG 4.16Å; L302-Y320 HydrophobicContact CD2-CD1 4.47Å; L302-Y320 HydrophobicContact CD2-CD2 3.68Å; L302-Y320 HydrophobicContact CD2-CE2 4.11Å; L302-Y320 HydrophobicContact CD2-CG 3.86Å; L302-Y320 HydrophobicContact CG-CG 4.5Å; I304-Y320 HydrophobicContact CG1-CE1 4.42Å; I304-Y320 HydrophobicContact CG2-CE1 4.21Å; D317-Y320 PolarHBondContact O-N 3Å; D317-Y320 VanDerWaalsContact O-N 3.13Å; D317-Y320 PolarHBondContact OD1-N 2.92Å; Y320-A322 PolarHBondContact O-N 3.38Å; Y320-Y323 CarbonylContact O-C 3.58Å; Y320-Y323 PolarHBondContact O-N 3.45Å; Y320-E324 HydrophobicContact CE1-CB 4.46Å; Y320-E324 HydrophobicContact CE1-CG 4.08Å; Y320-E324 PolarHBondContact O-N 3.11Å; Y320-T359 HydrophobicContact CD2-CG2 4.14Å; Y320-T359 HydrophobicContact CE2-CG2 4.12Å; Y320-I363 HydrophobicContact CD2-CG1 4.47Å; Y320-I363 HydrophobicContact CE2-CB 4.28Å; Y320-I363 HydrophobicContact CE2-CG1 4.21Å; Y320-I363 HydrophobicContact CE2-CG2 4.2Å
321	C	91.3	Very high	82.2	Confident	54 Å²	54	74 Å²	74	37%	0.365	38%	0.383	S	S	.	.	H	α-helix	trans	-59.2	-35	-176.9	-73.2	0	0	0	0	112.6	D317 E318 Y323	D317-C321 PolarHBondContact O-N 3.01Å; E318-C321 PolarHBondContact O-N 3.44Å; C321-Y323 PolarHBondContact O-N 3.1Å
322	A	94	Very high	84.9	Confident	49 Å²	49	67.2 Å²	67.2	41%	0.405	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.9	177.5	0	0	0	0	0	114.3	E318 Y320 R326	E318-A322 WeakPolarHBondContact O-CB 3.44Å; E318-A322 PolarHBondContact O-N 3.16Å; Y320-A322 PolarHBondContact O-N 3.38Å; A322-R326 PolarHBondContact O-NE 3.45Å; A322-R326 PolarHBondContact O-NH2 3Å
323	Y	96.3	Very high	87.6	Confident	29 Å²	29	66.3 Å²	66.3	11%	0.114	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-1.6	-174.8	-64.2	-104	0	0	0	113.8	D319 Y320 C321 D325 R326 D330 L331 E334 K335 T359	D319-Y323 WeakPolarHBondContact O-CD2 3.42Å; Y320-Y323 CarbonylContact O-C 3.58Å; Y320-Y323 PolarHBondContact O-N 3.45Å; C321-Y323 PolarHBondContact O-N 3.1Å; Y323-D325 VanDerWaalsContact C-N 3.29Å; Y323-D325 PolarHBondContact O-N 3.09Å; Y323-D325 VanDerWaalsContact O-N 3.12Å; Y323-R326 WeakPolarHBondContact O-CB 3.06Å; Y323-R326 PolarHBondContact O-N 3.18Å; Y323-D330 HydrophobicContact CD1-CB 4Å; Y323-D330 HydrophobicContact CE1-CB 4.19Å; Y323-L331 HydrophobicContact CD1-CB 3.92Å; Y323-L331 HydrophobicContact CD1-CD1 4.49Å; Y323-L331 HydrophobicContact CD2-CD1 3.83Å; Y323-L331 HydrophobicContact CG-CB 3.97Å; Y323-L331 HydrophobicContact CG-CD1 3.78Å; Y323-L331 HydrophobicContact CG-CG 4.48Å; Y323-E334 HydrophobicContact CE1-CB 4.15Å; Y323-E334 WeakPolarHBondContact CE1-OE2 3.14Å; Y323-E334 WeakPolarHBondContact OH-CB 3.47Å; Y323-E334 PolarHBondContact OH-OE2 2.79Å; Y323-K335 HydrophobicContact CE2-CB 4.28Å; Y323-T359 WeakPolarHBondContact O-CB 3.34Å; Y323-T359 PolarHBondContact O-OG1 3.01Å
324	E	93.5	Very high	90	Very high	55 Å²	55	62 Å²	62	26%	0.257	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-49	-171.7	-175	179.7	166.2	0	0	113.4	Y320 K360	Y320-E324 HydrophobicContact CE1-CB 4.46Å; Y320-E324 HydrophobicContact CE1-CG 4.08Å; Y320-E324 PolarHBondContact O-N 3.11Å; E324-K360 HydrophobicContact CG-CB 3.79Å; E324-K360 HydrophobicContact CG-CD 4.21Å; E324-K360 WeakPolarHBondContact O-CB 3.3Å; E324-K360 PolarHBondContact O-N 3.3Å
325	D	94.4	Very high	92	Very high	93 Å²	93	64 Å²	64	50%	0.497	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	1.6	-178.7	-77.3	-51.9	0	0	0	114.7	Y323 K360	Y323-D325 VanDerWaalsContact C-N 3.29Å; Y323-D325 PolarHBondContact O-N 3.09Å; Y323-D325 VanDerWaalsContact O-N 3.12Å; D325-K360 WeakPolarHBondContact OD1-CE 3.26Å; D325-K360 IonicContact OD1-NZ 3.49Å; D325-K360 PolarHBondContact OD1-NZ 2.91Å
326	R	96.5	Very high	93.5	Very high	119 Å²	119	58.4 Å²	58.4	45%	0.449	29%	0.292	S	S	.	.	S	Bend	trans	-86.7	161.5	175.9	-59.1	-172.6	-168.2	-173.7	3.6	111.2	A322 Y323 F328 K358 T359	A322-R326 PolarHBondContact O-NE 3.45Å; A322-R326 PolarHBondContact O-NH2 3Å; Y323-R326 WeakPolarHBondContact O-CB 3.06Å; Y323-R326 PolarHBondContact O-N 3.18Å; R326-F328 PolarHBondContact O-N 3.24Å; R326-K358 WeakPolarHBondContact O-CA 3.29Å; R326-T359 PolarHBondContact O-N 3.36Å; R326-T359 PolarHBondContact O-OG1 3.2Å
327	P	97.3	Very high	94.6	Very high	51 Å²	51	60.6 Å²	60.6	33%	0.331	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-49.5	134.9	167.1	-27.1	34.9	0	0	0	111.7	Q329 D330	P327-Q329 PolarHBondContact O-N 3.01Å; P327-D330 WeakPolarHBondContact CD-OD2 3.47Å; P327-D330 WeakPolarHBondContact O-CB 3.15Å; P327-D330 PolarHBondContact O-N 2.93Å
328	F	97.8	Very high	95.2	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-33.1	-178.1	-178.9	-143.5	0	0	0	112.2	F295 R326 D330 L331 L332 L346 I347 I357 T359 A362 I363 I366	F295-F328 HydrophobicContact CE2-CE2 4.32Å; F295-F328 HydrophobicContact CE2-CZ 4.14Å; F295-F328 HydrophobicContact CZ-CE2 4.38Å; F295-F328 AromaticContact CZ-CZ 3.82Å; F295-F328 HydrophobicContact CZ-CZ 3.82Å; R326-F328 PolarHBondContact O-N 3.24Å; F328-D330 PolarHBondContact O-N 3.04Å; F328-L331 HydrophobicContact CD2-CD2 4.08Å; F328-L331 HydrophobicContact CE2-CD2 3.76Å; F328-L331 PolarHBondContact O-N 2.89Å; F328-L332 HydrophobicContact CD1-CD1 4.01Å; F328-L332 HydrophobicContact CD1-CG 4.42Å; F328-L332 HydrophobicContact CD2-CD2 4.31Å; F328-L332 HydrophobicContact CD2-CG 4.1Å; F328-L332 HydrophobicContact CE1-CD1 3.74Å; F328-L332 HydrophobicContact CE1-CD2 4.28Å; F328-L332 HydrophobicContact CE1-CG 4.2Å; F328-L332 HydrophobicContact CE2-CD1 4.33Å; F328-L332 HydrophobicContact CE2-CD2 3.58Å; F328-L332 HydrophobicContact CE2-CG 3.86Å; F328-L332 HydrophobicContact CG-CD1 4.4Å; F328-L332 HydrophobicContact CG-CG 4.38Å; F328-L332 HydrophobicContact CZ-CD1 3.92Å; F328-L332 HydrophobicContact CZ-CD2 3.57Å; F328-L332 HydrophobicContact CZ-CG 3.91Å; F328-L332 WeakPolarHBondContact O-CG 3.47Å; F328-L332 PolarHBondContact O-N 2.96Å; F328-L332 VanDerWaalsContact O-N 3.11Å; F328-L346 HydrophobicContact CE1-CB 4.12Å; F328-I347 HydrophobicContact CD1-CG1 3.68Å; F328-I347 HydrophobicContact CE1-CG1 4.19Å; F328-I357 HydrophobicContact CB-CG2 3.95Å; F328-I357 HydrophobicContact CD1-CG2 4.42Å; F328-I357 PolarHBondContact N-O 3.19Å; F328-T359 WeakPolarHBondContact CA-OG1 3.33Å; F328-T359 HydrophobicContact CD2-CG2 4.18Å; F328-A362 HydrophobicContact CB-CB 3.88Å; F328-A362 HydrophobicContact CD1-CB 3.19Å; F328-A362 HydrophobicContact CD2-CB 4.04Å; F328-A362 HydrophobicContact CE1-CB 3.61Å; F328-A362 HydrophobicContact CE2-CB 4.37Å; F328-A362 HydrophobicContact CG-CB 3.45Å; F328-A362 VanDerWaalsContact CG-CB 3.45Å; F328-A362 HydrophobicContact CZ-CB 4.17Å; F328-I363 HydrophobicContact CE2-CD1 3.9Å; F328-I363 HydrophobicContact CE2-CG1 4.2Å; F328-I363 HydrophobicContact CZ-CD1 4.34Å; F328-I366 HydrophobicContact CE1-CD1 3.72Å; F328-I366 HydrophobicContact CZ-CD1 3.76Å
329	Q	97.4	Very high	95.6	Very high	41 Å²	41	54 Å²	54	19%	0.192	27%	0.271	C	S	.	.	H	α-helix	trans	-51.5	-35.9	173.8	-177.4	58.7	43.3	0	0	113.3	P327 L332 T333 I347	P327-Q329 PolarHBondContact O-N 3.01Å; Q329-L332 PolarHBondContact O-N 2.72Å; Q329-T333 PolarHBondContact NE2-OG1 3.14Å; Q329-T333 WeakPolarHBondContact O-CB 3.47Å; Q329-T333 PolarHBondContact O-N 2.75Å; Q329-T333 PolarHBondContact O-OG1 2.82Å; Q329-I347 HydrophobicContact CB-CD1 4.16Å
330	D	98	Very high	95.9	Very high	48 Å²	48	60.1 Å²	60.1	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-67.3	-47.8	-179.3	-61.8	-8.5	0	0	0	110.5	Y323 P327 F328 L332 T333 E334	Y323-D330 HydrophobicContact CD1-CB 4Å; Y323-D330 HydrophobicContact CE1-CB 4.19Å; P327-D330 WeakPolarHBondContact CD-OD2 3.47Å; P327-D330 WeakPolarHBondContact O-CB 3.15Å; P327-D330 PolarHBondContact O-N 2.93Å; F328-D330 PolarHBondContact O-N 3.04Å; D330-L332 VanDerWaalsContact C-N 3.29Å; D330-L332 PolarHBondContact O-N 2.97Å; D330-T333 PolarHBondContact O-N 2.94Å; D330-E334 VanDerWaalsContact O-CB 3.3Å; D330-E334 WeakPolarHBondContact O-CB 3.49Å; D330-E334 WeakPolarHBondContact O-CG 3.4Å; D330-E334 PolarHBondContact O-N 3.15Å
331	L	98	Very high	95.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.298	C	S	.	.	I	π-helix	trans	-58.2	-44.9	175	179.8	101.1	0	0	0	110.6	W298 Y323 F328 T333 K335 R336 T359	W298-L331 HydrophobicContact CH2-CD1 4.39Å; W298-L331 HydrophobicContact CH2-CD2 3.8Å; W298-L331 HydrophobicContact CZ3-CD2 4.01Å; Y323-L331 HydrophobicContact CD1-CB 3.92Å; Y323-L331 HydrophobicContact CD1-CD1 4.49Å; Y323-L331 HydrophobicContact CD2-CD1 3.83Å; Y323-L331 HydrophobicContact CG-CB 3.97Å; Y323-L331 HydrophobicContact CG-CD1 3.78Å; Y323-L331 HydrophobicContact CG-CG 4.48Å; F328-L331 HydrophobicContact CD2-CD2 4.08Å; F328-L331 HydrophobicContact CE2-CD2 3.76Å; F328-L331 PolarHBondContact O-N 2.89Å; L331-T333 VanDerWaalsContact C-N 3.31Å; L331-T333 PolarHBondContact O-N 3.02Å; L331-K335 WeakPolarHBondContact O-CB 2.85Å; L331-K335 PolarHBondContact O-N 2.97Å; L331-K335 VanDerWaalsContact O-N 3.12Å; L331-R336 HydrophobicContact CD2-CG 4.42Å; L331-R336 HydrophobicContact CG-CG 4.48Å; L331-R336 PolarHBondContact O-N 3.19Å; L331-T359 HydrophobicContact CB-CG2 4.38Å; L331-T359 HydrophobicContact CD1-CG2 4.4Å; L331-T359 HydrophobicContact CD2-CG2 4.06Å
332	L	98.3	Very high	96.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.281	C	S	.	.	I	π-helix	trans	-66.9	-34.2	-177.4	-61.8	-175.8	0	0	0	112.8	F295 F328 Q329 D330 R336 K337 L338 Q343 L346 I347	F295-L332 HydrophobicContact CD2-CD2 4.19Å; F295-L332 HydrophobicContact CE2-CD2 3.8Å; F295-L332 HydrophobicContact CZ-CD2 4.42Å; F328-L332 HydrophobicContact CD1-CD1 4.01Å; F328-L332 HydrophobicContact CD1-CG 4.42Å; F328-L332 HydrophobicContact CD2-CD2 4.31Å; F328-L332 HydrophobicContact CD2-CG 4.1Å; F328-L332 HydrophobicContact CE1-CD1 3.74Å; F328-L332 HydrophobicContact CE1-CD2 4.28Å; F328-L332 HydrophobicContact CE1-CG 4.2Å; F328-L332 HydrophobicContact CE2-CD1 4.33Å; F328-L332 HydrophobicContact CE2-CD2 3.58Å; F328-L332 HydrophobicContact CE2-CG 3.86Å; F328-L332 HydrophobicContact CG-CD1 4.4Å; F328-L332 HydrophobicContact CG-CG 4.38Å; F328-L332 HydrophobicContact CZ-CD1 3.92Å; F328-L332 HydrophobicContact CZ-CD2 3.57Å; F328-L332 HydrophobicContact CZ-CG 3.91Å; F328-L332 WeakPolarHBondContact O-CG 3.47Å; F328-L332 PolarHBondContact O-N 2.96Å; F328-L332 VanDerWaalsContact O-N 3.11Å; Q329-L332 PolarHBondContact O-N 2.72Å; D330-L332 VanDerWaalsContact C-N 3.29Å; D330-L332 PolarHBondContact O-N 2.97Å; L332-R336 HydrophobicContact CD2-CG 4.46Å; L332-R336 CarbonylContact O-C 3.42Å; L332-K337 PolarHBondContact O-N 3.17Å; L332-L338 HydrophobicContact CD2-CD1 3.94Å; L332-L338 PolarHBondContact O-N 3.19Å; L332-Q343 HydrophobicContact CB-CG 3.86Å; L332-Q343 HydrophobicContact CD1-CB 4.11Å; L332-Q343 HydrophobicContact CD1-CG 4.1Å; L332-L346 HydrophobicContact CD1-CB 4.15Å; L332-L346 HydrophobicContact CD1-CD1 4Å; L332-L346 HydrophobicContact CD2-CD1 3.76Å; L332-I347 HydrophobicContact CD1-CD1 4.13Å; L332-I347 HydrophobicContact CD1-CG1 4.07Å
333	T	97.2	Very high	96.3	Very high	68 Å²	68	56.2 Å²	56.2	42%	0.417	26%	0.263	S	S	.	.	I	π-helix	trans	-82.4	-56.3	-178.6	-54.6	0	0	0	0	111.4	Q329 D330 L331 K337 Q343	Q329-T333 PolarHBondContact NE2-OG1 3.14Å; Q329-T333 WeakPolarHBondContact O-CB 3.47Å; Q329-T333 PolarHBondContact O-N 2.75Å; Q329-T333 PolarHBondContact O-OG1 2.82Å; D330-T333 PolarHBondContact O-N 2.94Å; L331-T333 VanDerWaalsContact C-N 3.31Å; L331-T333 PolarHBondContact O-N 3.02Å; T333-K337 WeakPolarHBondContact O-CA 3.4Å; T333-K337 PolarHBondContact O-N 3.34Å; T333-Q343 PolarHBondContact OG1-NE2 3.18Å
334	E	97	Very high	96.2	Very high	108 Å²	108	57.3 Å²	57.3	51%	0.505	27%	0.269	S	S	.	.	I	π-helix	trans	-77.5	-45.1	-169.2	-61.3	177.8	-173	0	0	111.2	Y323 D330	Y323-E334 HydrophobicContact CE1-CB 4.15Å; Y323-E334 WeakPolarHBondContact CE1-OE2 3.14Å; Y323-E334 WeakPolarHBondContact OH-CB 3.47Å; Y323-E334 PolarHBondContact OH-OE2 2.79Å; D330-E334 VanDerWaalsContact O-CB 3.3Å; D330-E334 WeakPolarHBondContact O-CB 3.49Å; D330-E334 WeakPolarHBondContact O-CG 3.4Å; D330-E334 PolarHBondContact O-N 3.15Å
335	K	96.1	Very high	96.3	Very high	84 Å²	84	55 Å²	55	37%	0.365	26%	0.258	S	S	.	.	I	π-helix	trans	-94.3	-51.8	-175	-170.4	72.8	-151.4	-155.9	0	113.1	D319 Y323 L331	D319-K335 HydrophobicContact CB-CD 4.22Å; D319-K335 HydrophobicContact CB-CG 4.24Å; D319-K335 VanDerWaalsContact OD1-CE 3.29Å; D319-K335 WeakPolarHBondContact OD1-CE 3.3Å; D319-K335 IonicContact OD1-NZ 2.62Å; D319-K335 PolarHBondContact OD1-NZ 3.25Å; D319-K335 WeakPolarHBondContact OD2-CE 3.49Å; D319-K335 IonicContact OD2-NZ 3.9Å; D319-K335 PolarHBondContact OD2-NZ 3.49Å; Y323-K335 HydrophobicContact CE2-CB 4.28Å; L331-K335 WeakPolarHBondContact O-CB 2.85Å; L331-K335 PolarHBondContact O-N 2.97Å; L331-K335 VanDerWaalsContact O-N 3.12Å
336	R	95.8	Very high	96.5	Very high	54 Å²	54	50.5 Å²	50.5	20%	0.204	24%	0.235	C	C	.	.	S	Bend	trans	-83.9	-15.3	-175.6	-58.2	-70.3	164	-158.1	-19.8	113.5	F295 W298 L331 L332 L338	F295-R336 HydrophobicContact CD2-CG 4.1Å; W298-R336 VanDerWaalsContact CE2-CZ 3.47Å; W298-R336 VanDerWaalsContact CG-CZ 3.48Å; L331-R336 HydrophobicContact CD2-CG 4.42Å; L331-R336 HydrophobicContact CG-CG 4.48Å; L331-R336 PolarHBondContact O-N 3.19Å; L332-R336 HydrophobicContact CD2-CG 4.46Å; L332-R336 CarbonylContact O-C 3.42Å; R336-L338 HydrophobicContact CB-CD1 4.37Å; R336-L338 HydrophobicContact CB-CG 3.95Å; R336-L338 PolarHBondContact O-N 3.42Å
337	K	95.8	Very high	96.5	Very high	160 Å²	160	44.9 Å²	44.9	70%	0.696	21%	0.213	S	C	*	.			trans	51.1	38.8	177.7	-56.4	-179.1	-178.8	-179.9	0	112.8	L332 T333	L332-K337 PolarHBondContact O-N 3.17Å; T333-K337 WeakPolarHBondContact O-CA 3.4Å; T333-K337 PolarHBondContact O-N 3.34Å
338	L	97.3	Very high	96.4	Very high	11 Å²	11	42.6 Å²	42.6	6%	0.058	20%	0.199	C	C	.	.			trans	-77.1	149.1	174.9	-59.6	-177.2	0	0	0	109.8	F295 L332 R336 T342 Q343 L346	F295-L338 HydrophobicContact CG-CD1 4.5Å; L332-L338 HydrophobicContact CD2-CD1 3.94Å; L332-L338 PolarHBondContact O-N 3.19Å; R336-L338 HydrophobicContact CB-CD1 4.37Å; R336-L338 HydrophobicContact CB-CG 3.95Å; R336-L338 PolarHBondContact O-N 3.42Å; L338-T342 HydrophobicContact CB-CG2 4.42Å; L338-T342 HydrophobicContact CD1-CG2 4.07Å; L338-T342 HydrophobicContact CD2-CG2 4.35Å; L338-Q343 HydrophobicContact CB-CG 3.83Å; L338-Q343 PolarHBondContact O-NE2 2.98Å; L338-L346 HydrophobicContact CD1-CD1 3.39Å
339	D	95.3	Very high	96.3	Very high	53 Å²	53	42.9 Å²	42.9	28%	0.283	20%	0.2	S	C	.	.			trans	-75.5	160.6	172.8	64	-70.7	0	0	0	111.7	Q288 F341 T342 Q343	Q288-D339 WeakPolarHBondContact CG-OD1 3.43Å; Q288-D339 PolarHBondContact NE2-OD2 3.38Å; D339-F341 VanDerWaalsContact C-N 3.26Å; D339-F341 PolarHBondContact O-N 3.03Å; D339-F341 VanDerWaalsContact O-N 3.16Å; D339-F341 WeakPolarHBondContact OD2-CB 3.27Å; D339-F341 PolarHBondContact OD2-N 3.31Å; D339-T342 PolarHBondContact O-N 2.84Å; D339-T342 VanDerWaalsContact O-N 3.13Å; D339-T342 VanDerWaalsContact OD1-CB 3.31Å; D339-T342 WeakPolarHBondContact OD1-CB 3.48Å; D339-T342 PolarHBondContact OD1-OG1 2.86Å; D339-T342 PolarHBondContact OD2-N 2.87Å; D339-T342 PolarHBondContact OD2-OG1 2.95Å; D339-Q343 VanDerWaalsContact O-CG 3.23Å; D339-Q343 WeakPolarHBondContact O-CG 3.36Å; D339-Q343 PolarHBondContact O-N 3.31Å
340	K	93.6	Very high	96.3	Very high	178 Å²	178	41.1 Å²	41.1	77%	0.774	19%	0.192	S	C	*	.	H	α-helix	trans	-53.5	-39.8	-175.2	-69.9	-170.5	176.2	-174.1	0	113.9	Q343 Q344	K340-Q343 PolarHBondContact O-N 3.32Å; K340-Q344 WeakPolarHBondContact O-CB 3.44Å; K340-Q344 PolarHBondContact O-N 3.28Å
341	F	93.8	Very high	96	Very high	21 Å²	21	38.9 Å²	38.9	9%	0.092	18%	0.18	C	C	.	.	H	α-helix	trans	-66.7	-49.4	-179.8	174.6	-105.8	0	0	0	111	I239 E243 L283 L284 D339 Q343 Q344 L345	I239-F341 HydrophobicContact CD1-CE2 3.61Å; I239-F341 HydrophobicContact CD1-CZ 3.61Å; I239-F341 HydrophobicContact CG1-CE2 3.91Å; I239-F341 HydrophobicContact CG1-CZ 4.35Å; E243-F341 HydrophobicContact CB-CD2 4.45Å; L283-F341 HydrophobicContact CD1-CZ 4.17Å; L283-F341 HydrophobicContact CD2-CE1 4.36Å; L283-F341 HydrophobicContact CD2-CZ 4.08Å; L283-F341 HydrophobicContact CG-CE1 4.2Å; L283-F341 HydrophobicContact CG-CZ 4.16Å; L284-F341 HydrophobicContact CD2-CD1 4.18Å; L284-F341 HydrophobicContact CD2-CE1 3.73Å; D339-F341 VanDerWaalsContact C-N 3.26Å; D339-F341 PolarHBondContact O-N 3.03Å; D339-F341 VanDerWaalsContact O-N 3.16Å; D339-F341 WeakPolarHBondContact OD2-CB 3.27Å; D339-F341 PolarHBondContact OD2-N 3.31Å; F341-Q343 VanDerWaalsContact C-N 3.27Å; F341-Q343 PolarHBondContact O-N 2.93Å; F341-Q344 WeakPolarHBondContact O-CB 3.38Å; F341-Q344 PolarHBondContact O-N 3.11Å; F341-L345 HydrophobicContact CD1-CD1 4.36Å; F341-L345 HydrophobicContact CE1-CD1 3.71Å; F341-L345 HydrophobicContact CE1-CG 4.21Å; F341-L345 HydrophobicContact CE2-CD2 4.26Å; F341-L345 HydrophobicContact CE2-CG 4.46Å; F341-L345 HydrophobicContact CZ-CD1 3.91Å; F341-L345 HydrophobicContact CZ-CD2 4.06Å; F341-L345 HydrophobicContact CZ-CG 4.11Å; F341-L345 WeakPolarHBondContact O-CG 3.36Å; F341-L345 PolarHBondContact O-N 3.42Å
342	T	95.6	Very high	95.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-38	176.2	-53.8	0	0	0	0	111.9	L292 L338 D339 L345 L346	L292-T342 HydrophobicContact CB-CG2 4.12Å; L292-T342 HydrophobicContact CD1-CG2 3.96Å; L292-T342 HydrophobicContact CD2-CG2 4.38Å; L292-T342 HydrophobicContact CG-CG2 4.38Å; L338-T342 HydrophobicContact CB-CG2 4.42Å; L338-T342 HydrophobicContact CD1-CG2 4.07Å; L338-T342 HydrophobicContact CD2-CG2 4.35Å; D339-T342 PolarHBondContact O-N 2.84Å; D339-T342 VanDerWaalsContact O-N 3.13Å; D339-T342 VanDerWaalsContact OD1-CB 3.31Å; D339-T342 WeakPolarHBondContact OD1-CB 3.48Å; D339-T342 PolarHBondContact OD1-OG1 2.86Å; D339-T342 PolarHBondContact OD2-N 2.87Å; D339-T342 PolarHBondContact OD2-OG1 2.95Å; T342-L345 PolarHBondContact O-N 2.9Å; T342-L346 WeakPolarHBondContact O-CG 3.14Å; T342-L346 PolarHBondContact O-N 3.24Å; T342-L346 VanDerWaalsContact O-N 3.15Å
343	Q	96.9	Very high	95.6	Very high	7 Å²	7	39.8 Å²	39.8	3%	0.033	19%	0.185	C	C	.	.	H	α-helix	trans	-61.5	-45.1	175.4	-67.5	170.9	-14.5	0	0	112	L332 T333 L338 D339 K340 F341 L345 L346 I347	L332-Q343 HydrophobicContact CB-CG 3.86Å; L332-Q343 HydrophobicContact CD1-CB 4.11Å; L332-Q343 HydrophobicContact CD1-CG 4.1Å; T333-Q343 PolarHBondContact OG1-NE2 3.18Å; L338-Q343 HydrophobicContact CB-CG 3.83Å; L338-Q343 PolarHBondContact O-NE2 2.98Å; D339-Q343 VanDerWaalsContact O-CG 3.23Å; D339-Q343 WeakPolarHBondContact O-CG 3.36Å; D339-Q343 PolarHBondContact O-N 3.31Å; K340-Q343 PolarHBondContact O-N 3.32Å; F341-Q343 VanDerWaalsContact C-N 3.27Å; F341-Q343 PolarHBondContact O-N 2.93Å; Q343-L345 VanDerWaalsContact C-N 3.32Å; Q343-L345 PolarHBondContact O-N 3.5Å; Q343-L346 PolarHBondContact O-N 3.42Å; Q343-I347 WeakPolarHBondContact O-CB 3.49Å; Q343-I347 WeakPolarHBondContact O-CG1 3.41Å; Q343-I347 PolarHBondContact O-N 2.89Å
344	Q	94.7	Very high	95.3	Very high	52 Å²	52	38.7 Å²	38.7	24%	0.243	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-36.3	176.6	-176.3	179.6	-1.1	0	0	112.5	E243 K340 F341 T348 N349	E243-Q344 PolarHBondContact OE1-OE1 3.28Å; K340-Q344 WeakPolarHBondContact O-CB 3.44Å; K340-Q344 PolarHBondContact O-N 3.28Å; F341-Q344 WeakPolarHBondContact O-CB 3.38Å; F341-Q344 PolarHBondContact O-N 3.11Å; Q344-T348 VanDerWaalsContact O-CB 3.3Å; Q344-T348 WeakPolarHBondContact O-CB 3.05Å; Q344-T348 PolarHBondContact O-N 2.83Å; Q344-N349 PolarHBondContact O-ND2 3Å
345	L	96.1	Very high	95	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.031	17%	0.171	C	C	.	.	I	π-helix	trans	-59.8	-47.9	172.5	-65.7	-172.4	0	0	0	111.3	A237 I271 L284 F341 T342 Q343 N349 L350	A237-L345 HydrophobicContact CB-CD2 3.91Å; I271-L345 HydrophobicContact CG2-CD2 3.79Å; L284-L345 HydrophobicContact CD2-CD1 4.32Å; F341-L345 HydrophobicContact CD1-CD1 4.36Å; F341-L345 HydrophobicContact CE1-CD1 3.71Å; F341-L345 HydrophobicContact CE1-CG 4.21Å; F341-L345 HydrophobicContact CE2-CD2 4.26Å; F341-L345 HydrophobicContact CE2-CG 4.46Å; F341-L345 HydrophobicContact CZ-CD1 3.91Å; F341-L345 HydrophobicContact CZ-CD2 4.06Å; F341-L345 HydrophobicContact CZ-CG 4.11Å; F341-L345 WeakPolarHBondContact O-CG 3.36Å; F341-L345 PolarHBondContact O-N 3.42Å; T342-L345 PolarHBondContact O-N 2.9Å; Q343-L345 VanDerWaalsContact C-N 3.32Å; Q343-L345 PolarHBondContact O-N 3.5Å; L345-N349 CarbonylContact O-C 3.54Å; L345-N349 WeakPolarHBondContact O-CA 3.37Å; L345-N349 WeakPolarHBondContact O-CB 3.44Å; L345-N349 PolarHBondContact O-N 3.39Å; L345-L350 PolarHBondContact O-N 2.84Å
346	L	97.7	Very high	94.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.187	C	C	.	.	I	π-helix	trans	-64.8	-47.8	179.7	-66.8	179.1	0	0	0	112.3	L292 F295 F296 F328 L332 L338 T342 Q343 L350 S351 I366	L292-L346 HydrophobicContact CD1-CD1 4.33Å; L292-L346 HydrophobicContact CD1-CD2 3.7Å; L292-L346 HydrophobicContact CD1-CG 4.2Å; F295-L346 HydrophobicContact CD1-CD1 3.75Å; F295-L346 HydrophobicContact CD1-CD2 3.86Å; F295-L346 HydrophobicContact CD1-CG 4.48Å; F295-L346 HydrophobicContact CD2-CD1 4.38Å; F295-L346 HydrophobicContact CE1-CD1 3.66Å; F295-L346 HydrophobicContact CE1-CD2 3.53Å; F295-L346 HydrophobicContact CE1-CG 4.22Å; F295-L346 HydrophobicContact CE2-CD1 4.28Å; F295-L346 HydrophobicContact CG-CD1 4.13Å; F295-L346 HydrophobicContact CZ-CD1 3.95Å; F295-L346 HydrophobicContact CZ-CD2 4.4Å; F296-L346 HydrophobicContact CE1-CD2 3.86Å; F296-L346 HydrophobicContact CZ-CD2 4.46Å; F328-L346 HydrophobicContact CE1-CB 4.12Å; L332-L346 HydrophobicContact CD1-CB 4.15Å; L332-L346 HydrophobicContact CD1-CD1 4Å; L332-L346 HydrophobicContact CD2-CD1 3.76Å; L338-L346 HydrophobicContact CD1-CD1 3.39Å; T342-L346 WeakPolarHBondContact O-CG 3.14Å; T342-L346 PolarHBondContact O-N 3.24Å; T342-L346 VanDerWaalsContact O-N 3.15Å; Q343-L346 PolarHBondContact O-N 3.42Å; L346-L350 HydrophobicContact CD2-CD1 3.8Å; L346-S351 PolarHBondContact O-N 3.19Å; L346-I366 HydrophobicContact CB-CD1 4.37Å; L346-I366 HydrophobicContact CD2-CD1 4.43Å
347	I	96.6	Very high	94.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-70.8	-61.7	-177	-66.5	166.6	0	0	0	110.3	F328 Q329 L332 Q343 S351 S353 N354 I357	F328-I347 HydrophobicContact CD1-CG1 3.68Å; F328-I347 HydrophobicContact CE1-CG1 4.19Å; Q329-I347 HydrophobicContact CB-CD1 4.16Å; L332-I347 HydrophobicContact CD1-CD1 4.13Å; L332-I347 HydrophobicContact CD1-CG1 4.07Å; Q343-I347 WeakPolarHBondContact O-CB 3.49Å; Q343-I347 WeakPolarHBondContact O-CG1 3.41Å; Q343-I347 PolarHBondContact O-N 2.89Å; I347-S351 WeakPolarHBondContact O-CB 3.34Å; I347-S351 PolarHBondContact O-OG 2.95Å; I347-S353 CarbonylContact C-O 3.58Å; I347-S353 PolarHBondContact O-N 3.17Å; I347-N354 VanDerWaalsContact CG2-O 3.22Å; I347-N354 WeakPolarHBondContact CG2-O 3.31Å; I347-I357 HydrophobicContact CG2-CG2 4.19Å
348	T	95.4	Very high	94.6	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.025	17%	0.167	C	C	.	.	I	π-helix	trans	-75.3	-44.3	-171.4	-60.3	0	0	0	0	112.6	Q344 F352 S353 A529 S531 P545	Q344-T348 VanDerWaalsContact O-CB 3.3Å; Q344-T348 WeakPolarHBondContact O-CB 3.05Å; Q344-T348 PolarHBondContact O-N 2.83Å; T348-F352 VanDerWaalsContact O-CA 3.31Å; T348-F352 WeakPolarHBondContact O-CA 3.27Å; T348-F352 PolarHBondContact O-N 2.76Å; T348-S353 VanDerWaalsContact CA-O 3.29Å; T348-S353 WeakPolarHBondContact CA-O 3.47Å; T348-A529 HydrophobicContact CG2-CB 4.2Å; T348-A529 WeakPolarHBondContact O-CB 3.21Å; T348-S531 VanDerWaalsContact CG2-OG 3.25Å; T348-S531 WeakPolarHBondContact CG2-OG 3.41Å; T348-S531 PolarHBondContact OG1-OG 3.2Å; T348-P545 HydrophobicContact CG2-CB 4.05Å; T348-P545 HydrophobicContact CG2-CG 3.87Å
349	N	96.2	Very high	94.5	Very high	6 Å²	6	35 Å²	35	3%	0.032	16%	0.164	C	C	.	.	I	π-helix	trans	-101.8	-26.5	-163.3	-56.2	-89.1	0	0	0	114	L236 A237 I271 Q344 L345 F352 A529	L236-N349 PolarHBondContact O-OD1 3.09Å; A237-N349 WeakPolarHBondContact CB-OD1 3.47Å; I271-N349 HydrophobicContact CD1-CB 3.31Å; Q344-N349 PolarHBondContact O-ND2 3Å; L345-N349 CarbonylContact O-C 3.54Å; L345-N349 WeakPolarHBondContact O-CA 3.37Å; L345-N349 WeakPolarHBondContact O-CB 3.44Å; L345-N349 PolarHBondContact O-N 3.39Å; N349-F352 WeakPolarHBondContact O-CD1 3.43Å; N349-F352 WeakPolarHBondContact O-CE1 3.38Å; N349-A529 PolarHBondContact OD1-O 2.89Å
350	L	95.8	Very high	94.4	Very high	4 Å²	4	35 Å²	35	2%	0.021	16%	0.162	C	C	.	.	I	π-helix	trans	-100.8	-32.5	175.9	-58.2	-171	0	0	0	112.8	L235 I271 V273 F296 L345 L346 I366 L369	L235-L350 HydrophobicContact CD2-CD2 4.42Å; I271-L350 HydrophobicContact CD1-CD2 3.85Å; V273-L350 HydrophobicContact CG1-CD2 4.32Å; V273-L350 HydrophobicContact CG2-CD2 4.31Å; F296-L350 HydrophobicContact CE1-CD1 3.76Å; F296-L350 HydrophobicContact CZ-CD1 3.63Å; L345-L350 PolarHBondContact O-N 2.84Å; L346-L350 HydrophobicContact CD2-CD1 3.8Å; L350-I366 HydrophobicContact CB-CG1 4.16Å; L350-L369 HydrophobicContact CB-CD1 4.04Å; L350-L369 HydrophobicContact CD2-CD1 4.35Å; L350-L369 WeakPolarHBondContact O-CD1 3.4Å
351	S	93.6	Very high	94.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-91.5	-5.1	173.7	90.4	0	0	0	0	113.9	L346 I347 S353 R365	L346-S351 PolarHBondContact O-N 3.19Å; I347-S351 WeakPolarHBondContact O-CB 3.34Å; I347-S351 PolarHBondContact O-OG 2.95Å; S351-S353 PolarHBondContact O-N 3.36Å; S351-R365 WeakPolarHBondContact O-CD 3.37Å; S351-R365 PolarHBondContact O-NH1 2.92Å
352	F	93.4	Very high	94.2	Very high	11 Å²	11	27.2 Å²	27.2	5%	0.048	13%	0.128	C	C	.	.			trans	46.7	45.8	-174.5	-62.5	-36	0	0	0	112.4	I207 L235 T348 N349 R365 I381 I527 A529 I547	I207-F352 HydrophobicContact CD1-CE2 3.97Å; L235-F352 HydrophobicContact CD2-CE1 4.3Å; L235-F352 HydrophobicContact CD2-CZ 3.96Å; T348-F352 VanDerWaalsContact O-CA 3.31Å; T348-F352 WeakPolarHBondContact O-CA 3.27Å; T348-F352 PolarHBondContact O-N 2.76Å; N349-F352 WeakPolarHBondContact O-CD1 3.43Å; N349-F352 WeakPolarHBondContact O-CE1 3.38Å; F352-R365 PolarHBondContact O-NH1 2.7Å; F352-I381 HydrophobicContact CE2-CD1 4.48Å; F352-I527 HydrophobicContact CE1-CG2 3.94Å; F352-I527 HydrophobicContact CZ-CG2 3.78Å; F352-A529 HydrophobicContact CD1-CB 3.85Å; F352-A529 HydrophobicContact CE1-CB 4.17Å; F352-I547 HydrophobicContact CB-CD1 4.3Å; F352-I547 HydrophobicContact CD1-CD1 3.97Å; F352-I547 HydrophobicContact CG-CD1 4.22Å
353	S	92.7	Very high	94.1	Very high	8 Å²	8	27.2 Å²	27.2	6%	0.056	13%	0.128	C	C	.	.			trans	-144.8	178.6	-178.2	-158	0	0	0	0	113.1	I347 T348 S351 I357 D544 P545	I347-S353 CarbonylContact C-O 3.58Å; I347-S353 PolarHBondContact O-N 3.17Å; T348-S353 VanDerWaalsContact CA-O 3.29Å; T348-S353 WeakPolarHBondContact CA-O 3.47Å; S351-S353 PolarHBondContact O-N 3.36Å; S353-I357 VanDerWaalsContact CB-CD1 3.42Å; S353-D544 VanDerWaalsContact CA-OD1 3.32Å; S353-D544 WeakPolarHBondContact CA-OD1 3.3Å; S353-D544 WeakPolarHBondContact CB-OD1 3.33Å; S353-D544 PolarHBondContact OG-OD1 2.92Å; S353-P545 VanDerWaalsContact C-CD 3.42Å; S353-P545 VanDerWaalsContact CA-CD 3.43Å; S353-P545 WeakPolarHBondContact O-CG 3.32Å
354	N	91.2	Very high	93.8	Very high	46 Å²	46	29.6 Å²	29.6	25%	0.246	14%	0.138	C	C	.	.			trans	-99.8	-177.6	-176.9	73.3	33.4	0	0	0	111.7	I347 Q356 I357 L543	I347-N354 VanDerWaalsContact CG2-O 3.22Å; I347-N354 WeakPolarHBondContact CG2-O 3.31Å; N354-Q356 PolarHBondContact O-N 3.28Å; N354-Q356 VanDerWaalsContact O-N 3.15Å; N354-Q356 WeakPolarHBondContact OD1-CA 3.44Å; N354-Q356 WeakPolarHBondContact OD1-CB 3.49Å; N354-Q356 PolarHBondContact OD1-N 2.99Å; N354-I357 WeakPolarHBondContact O-CG2 3.45Å; N354-I357 PolarHBondContact O-N 3.47Å; N354-L543 PolarHBondContact ND2-O 3.11Å
355	Q	91	Very high	93.6	Very high	81 Å²	81	29.4 Å²	29.4	38%	0.379	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.6	-177.3	-60.5	-61.3	-40.9	0	0	114.8	I357	Q355-I357 VanDerWaalsContact C-N 3.34Å
356	Q	90.9	Very high	93.4	Very high	150 Å²	150	29.1 Å²	29.1	70%	0.701	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-6.6	178.3	-53.3	-59.8	-34.3	0	0	112.9	N354 K358	N354-Q356 PolarHBondContact O-N 3.28Å; N354-Q356 VanDerWaalsContact O-N 3.15Å; N354-Q356 WeakPolarHBondContact OD1-CA 3.44Å; N354-Q356 WeakPolarHBondContact OD1-CB 3.49Å; N354-Q356 PolarHBondContact OD1-N 2.99Å; Q356-K358 PolarHBondContact O-N 2.84Å
357	I	93.6	Very high	93.2	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.051	14%	0.141	C	C	.	.			trans	-58.8	133.9	178.8	-167.6	167.2	0	0	0	110.8	F328 I347 S353 N354 Q355 E361 A362	F328-I357 HydrophobicContact CB-CG2 3.95Å; F328-I357 HydrophobicContact CD1-CG2 4.42Å; F328-I357 PolarHBondContact N-O 3.19Å; I347-I357 HydrophobicContact CG2-CG2 4.19Å; S353-I357 VanDerWaalsContact CB-CD1 3.42Å; N354-I357 WeakPolarHBondContact O-CG2 3.45Å; N354-I357 PolarHBondContact O-N 3.47Å; Q355-I357 VanDerWaalsContact C-N 3.34Å; I357-E361 HydrophobicContact CD1-CB 4.17Å; I357-E361 HydrophobicContact CD1-CG 3.84Å; I357-E361 HydrophobicContact CG1-CB 3.95Å; I357-E361 HydrophobicContact CG1-CG 4Å; I357-A362 HydrophobicContact CD1-CB 3.75Å; I357-A362 HydrophobicContact CG1-CB 4.02Å; I357-A362 HydrophobicContact CG2-CB 4.08Å
358	K	95.2	Very high	92.8	Very high	99 Å²	99	31.8 Å²	31.8	43%	0.43	14%	0.144	S	C	.	.	B	Isolated β-bridge	trans	-75.5	149.8	174.5	-67.2	-175.6	174.7	-173.4	0	111	R326 Q356 K360 E361 A362	R326-K358 WeakPolarHBondContact O-CA 3.29Å; Q356-K358 PolarHBondContact O-N 2.84Å; K358-K360 VanDerWaalsContact C-N 3.29Å; K358-K360 HydrophobicContact CB-CG 4.35Å; K358-K360 PolarHBondContact O-N 3.37Å; K358-E361 PolarHBondContact O-N 3.39Å; K358-E361 VanDerWaalsContact O-N 3.1Å; K358-A362 PolarHBondContact O-N 2.76Å
359	T	95.8	Very high	92.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-50.6	-47.3	178.4	-58.3	0	0	0	0	112.3	Y320 Y323 R326 F328 L331 E361 A362 I363	Y320-T359 HydrophobicContact CD2-CG2 4.14Å; Y320-T359 HydrophobicContact CE2-CG2 4.12Å; Y323-T359 WeakPolarHBondContact O-CB 3.34Å; Y323-T359 PolarHBondContact O-OG1 3.01Å; R326-T359 PolarHBondContact O-N 3.36Å; R326-T359 PolarHBondContact O-OG1 3.2Å; F328-T359 WeakPolarHBondContact CA-OG1 3.33Å; F328-T359 HydrophobicContact CD2-CG2 4.18Å; L331-T359 HydrophobicContact CB-CG2 4.38Å; L331-T359 HydrophobicContact CD1-CG2 4.4Å; L331-T359 HydrophobicContact CD2-CG2 4.06Å; T359-E361 VanDerWaalsContact C-N 3.3Å; T359-E361 PolarHBondContact O-N 3.22Å; T359-A362 PolarHBondContact O-N 2.96Å; T359-I363 HydrophobicContact CG2-CG1 3.92Å; T359-I363 VanDerWaalsContact O-CB 3.26Å; T359-I363 WeakPolarHBondContact O-CB 3.43Å; T359-I363 WeakPolarHBondContact O-CG1 3.4Å; T359-I363 PolarHBondContact O-N 2.99Å
360	K	92.3	Very high	92.5	Very high	53 Å²	53	32.2 Å²	32.2	23%	0.23	15%	0.146	C	C	.	.	H	α-helix	trans	-58.1	-39.9	-178.8	69.6	-170.7	-175.9	-171.4	0	114.1	E324 D325 K358 F364	E324-K360 HydrophobicContact CG-CB 3.79Å; E324-K360 HydrophobicContact CG-CD 4.21Å; E324-K360 WeakPolarHBondContact O-CB 3.3Å; E324-K360 PolarHBondContact O-N 3.3Å; D325-K360 WeakPolarHBondContact OD1-CE 3.26Å; D325-K360 IonicContact OD1-NZ 3.49Å; D325-K360 PolarHBondContact OD1-NZ 2.91Å; K358-K360 VanDerWaalsContact C-N 3.29Å; K358-K360 HydrophobicContact CB-CG 4.35Å; K358-K360 PolarHBondContact O-N 3.37Å; K360-F364 WeakPolarHBondContact O-CB 3.4Å; K360-F364 PolarHBondContact O-N 3.37Å; K360-F364 VanDerWaalsContact O-N 3.08Å
361	E	89.7	Confident	92.2	Very high	34 Å²	34	35.5 Å²	35.5	16%	0.159	16%	0.16	C	C	.	.	H	α-helix	trans	-74.9	-45.2	-178.5	-177.6	58.4	-158	0	0	110.5	I357 K358 T359 I363 F364 R365	I357-E361 HydrophobicContact CD1-CB 4.17Å; I357-E361 HydrophobicContact CD1-CG 3.84Å; I357-E361 HydrophobicContact CG1-CB 3.95Å; I357-E361 HydrophobicContact CG1-CG 4Å; K358-E361 PolarHBondContact O-N 3.39Å; K358-E361 VanDerWaalsContact O-N 3.1Å; T359-E361 VanDerWaalsContact C-N 3.3Å; T359-E361 PolarHBondContact O-N 3.22Å; E361-I363 PolarHBondContact O-N 3.45Å; E361-F364 WeakPolarHBondContact O-CB 3.26Å; E361-F364 PolarHBondContact O-N 3.38Å; E361-R365 WeakPolarHBondContact O-CG 3.48Å; E361-R365 PolarHBondContact O-N 3.03Å; E361-R365 IonicContact OE1-CZ 3.18Å; E361-R365 IonicContact OE1-NE 2.75Å; E361-R365 PolarHBondContact OE1-NE 2.83Å; E361-R365 IonicContact OE1-NH2 2.73Å; E361-R365 PolarHBondContact OE1-NH2 3.14Å; E361-R365 VanDerWaalsContact OE1-NH2 3.13Å
362	A	93.9	Very high	92.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-44.2	178.6	0	0	0	0	0	112	F328 I357 K358 T359 F364 R365 I366	F328-A362 HydrophobicContact CB-CB 3.88Å; F328-A362 HydrophobicContact CD1-CB 3.19Å; F328-A362 HydrophobicContact CD2-CB 4.04Å; F328-A362 HydrophobicContact CE1-CB 3.61Å; F328-A362 HydrophobicContact CE2-CB 4.37Å; F328-A362 HydrophobicContact CG-CB 3.45Å; F328-A362 VanDerWaalsContact CG-CB 3.45Å; F328-A362 HydrophobicContact CZ-CB 4.17Å; I357-A362 HydrophobicContact CD1-CB 3.75Å; I357-A362 HydrophobicContact CG1-CB 4.02Å; I357-A362 HydrophobicContact CG2-CB 4.08Å; K358-A362 PolarHBondContact O-N 2.76Å; T359-A362 PolarHBondContact O-N 2.96Å; A362-F364 VanDerWaalsContact C-N 3.34Å; A362-F364 PolarHBondContact O-N 3.3Å; A362-R365 PolarHBondContact O-N 3.35Å; A362-I366 WeakPolarHBondContact O-CB 3.49Å; A362-I366 VanDerWaalsContact O-CG1 3.27Å; A362-I366 WeakPolarHBondContact O-CG1 3.07Å; A362-I366 PolarHBondContact O-N 3.42Å
363	I	94	Very high	92.2	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-41.8	176.3	-70.1	-65.7	0	0	0	110.8	F295 W298 L302 I304 Y320 F328 T359 E361 R367	F295-I363 HydrophobicContact CE2-CD1 4.27Å; F295-I363 HydrophobicContact CZ-CD1 4.17Å; W298-I363 HydrophobicContact CH2-CD1 3.92Å; W298-I363 HydrophobicContact CZ3-CD1 3.64Å; L302-I363 HydrophobicContact CD2-CG2 3.66Å; I304-I363 HydrophobicContact CD1-CG2 3.52Å; Y320-I363 HydrophobicContact CD2-CG1 4.47Å; Y320-I363 HydrophobicContact CE2-CB 4.28Å; Y320-I363 HydrophobicContact CE2-CG1 4.21Å; Y320-I363 HydrophobicContact CE2-CG2 4.2Å; F328-I363 HydrophobicContact CE2-CD1 3.9Å; F328-I363 HydrophobicContact CE2-CG1 4.2Å; F328-I363 HydrophobicContact CZ-CD1 4.34Å; T359-I363 HydrophobicContact CG2-CG1 3.92Å; T359-I363 VanDerWaalsContact O-CB 3.26Å; T359-I363 WeakPolarHBondContact O-CB 3.43Å; T359-I363 WeakPolarHBondContact O-CG1 3.4Å; T359-I363 PolarHBondContact O-N 2.99Å; E361-I363 PolarHBondContact O-N 3.45Å; I363-R367 HydrophobicContact CG2-CG 4.29Å; I363-R367 VanDerWaalsContact O-CB 3.25Å; I363-R367 WeakPolarHBondContact O-CB 3.4Å; I363-R367 WeakPolarHBondContact O-CG 3.18Å; I363-R367 PolarHBondContact O-N 3.41Å
364	F	89.3	Confident	92.1	Very high	58 Å²	58	39.6 Å²	39.6	25%	0.254	20%	0.196	S	C	.	.	H	α-helix	trans	-58.1	-50	175.3	176.5	-98.2	0	0	0	111.8	K360 E361 A362 R367 R368 I660 C687	K360-F364 WeakPolarHBondContact O-CB 3.4Å; K360-F364 PolarHBondContact O-N 3.37Å; K360-F364 VanDerWaalsContact O-N 3.08Å; E361-F364 WeakPolarHBondContact O-CB 3.26Å; E361-F364 PolarHBondContact O-N 3.38Å; A362-F364 VanDerWaalsContact C-N 3.34Å; A362-F364 PolarHBondContact O-N 3.3Å; F364-R367 PolarHBondContact O-N 3.16Å; F364-R368 PolarHBondContact O-N 3.37Å; F364-I660 HydrophobicContact CE1-CD1 3.89Å; F364-I660 HydrophobicContact CZ-CD1 3.6Å; F364-I660 HydrophobicContact CZ-CG2 4.47Å; F364-C687 HydrophobicContact CE2-CB 3.83Å; F364-C687 VanDerWaalsContact CE2-SG 3.55Å; F364-C687 HydrophobicContact CZ-CB 3.83Å
365	R	90.4	Very high	92.1	Very high	47 Å²	47	42.1 Å²	42.1	18%	0.177	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-44.3	-179.9	-65.8	-179.2	-172	-165.9	-0.8	112.8	S351 F352 E361 A362 R368 L369	S351-R365 WeakPolarHBondContact O-CD 3.37Å; S351-R365 PolarHBondContact O-NH1 2.92Å; F352-R365 PolarHBondContact O-NH1 2.7Å; E361-R365 WeakPolarHBondContact O-CG 3.48Å; E361-R365 PolarHBondContact O-N 3.03Å; E361-R365 IonicContact OE1-CZ 3.18Å; E361-R365 IonicContact OE1-NE 2.75Å; E361-R365 PolarHBondContact OE1-NE 2.83Å; E361-R365 IonicContact OE1-NH2 2.73Å; E361-R365 PolarHBondContact OE1-NH2 3.14Å; E361-R365 VanDerWaalsContact OE1-NH2 3.13Å; A362-R365 PolarHBondContact O-N 3.35Å; R365-R368 WeakPolarHBondContact O-CB 3.42Å; R365-R368 PolarHBondContact O-N 3.34Å; R365-L369 PolarHBondContact O-N 3.34Å; R365-L369 VanDerWaalsContact O-N 3.16Å
366	I	93.5	Very high	92.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-66	-42	178.3	-67.4	166.5	0	0	0	110.6	F295 F328 L346 L350 A362 R368 L369 L370	F295-I366 HydrophobicContact CE1-CD1 4.37Å; F295-I366 HydrophobicContact CE1-CG2 4.27Å; F295-I366 HydrophobicContact CZ-CD1 4.21Å; F328-I366 HydrophobicContact CE1-CD1 3.72Å; F328-I366 HydrophobicContact CZ-CD1 3.76Å; L346-I366 HydrophobicContact CB-CD1 4.37Å; L346-I366 HydrophobicContact CD2-CD1 4.43Å; L350-I366 HydrophobicContact CB-CG1 4.16Å; A362-I366 WeakPolarHBondContact O-CB 3.49Å; A362-I366 VanDerWaalsContact O-CG1 3.27Å; A362-I366 WeakPolarHBondContact O-CG1 3.07Å; A362-I366 PolarHBondContact O-N 3.42Å; I366-R368 VanDerWaalsContact C-N 3.31Å; I366-R368 PolarHBondContact O-N 2.82Å; I366-L369 WeakPolarHBondContact O-CB 3.25Å; I366-L369 PolarHBondContact O-N 2.66Å; I366-L370 HydrophobicContact CG2-CD1 4.12Å; I366-L370 HydrophobicContact CG2-CG 4.4Å; I366-L370 WeakPolarHBondContact O-CG 3.48Å; I366-L370 PolarHBondContact O-N 3.29Å
367	R	91.7	Very high	92.2	Very high	36 Å²	36	36.3 Å²	36.3	14%	0.136	18%	0.178	C	C	.	.	H	α-helix	trans	-62.2	-39.2	175.3	-77	170.9	60.7	81.7	-8.1	112	C299 F300 L302 I304 I363 F364 L369 L370 F371	C299-R367 WeakPolarHBondContact O-CD 3.08Å; C299-R367 VanDerWaalsContact O-CG 3.26Å; C299-R367 WeakPolarHBondContact O-CG 3.35Å; C299-R367 PolarHBondContact O-NH1 2.71Å; F300-R367 PolarHBondContact O-NH1 3.47Å; L302-R367 VanDerWaalsContact O-CZ 3.26Å; L302-R367 PolarHBondContact O-NH1 2.66Å; L302-R367 VanDerWaalsContact O-NH1 3.11Å; L302-R367 PolarHBondContact O-NH2 3.06Å; L302-R367 VanDerWaalsContact O-NH2 3.07Å; I304-R367 VanDerWaalsContact CD1-CD 3.43Å; I363-R367 HydrophobicContact CG2-CG 4.29Å; I363-R367 VanDerWaalsContact O-CB 3.25Å; I363-R367 WeakPolarHBondContact O-CB 3.4Å; I363-R367 WeakPolarHBondContact O-CG 3.18Å; I363-R367 PolarHBondContact O-N 3.41Å; F364-R367 PolarHBondContact O-N 3.16Å; R367-L369 VanDerWaalsContact C-N 3.31Å; R367-L369 PolarHBondContact O-N 3.49Å; R367-L370 PolarHBondContact O-N 3.3Å; R367-L370 VanDerWaalsContact O-N 3.16Å; R367-F371 HydrophobicContact CB-CD2 4.2Å; R367-F371 HydrophobicContact CB-CE2 4.02Å; R367-F371 WeakPolarHBondContact O-CB 3.25Å; R367-F371 VanDerWaalsContact O-CD2 3.24Å; R367-F371 WeakPolarHBondContact O-CD2 3.44Å; R367-F371 WeakPolarHBondContact O-CG 3.43Å; R367-F371 PolarHBondContact O-N 3.25Å
368	R	89	Confident	92.1	Very high	20 Å²	20	38.2 Å²	38.2	8%	0.075	19%	0.192	C	C	.	.	H	α-helix	trans	-58.6	-42.8	175	-176.2	173.1	63.2	-179.3	5.6	111.6	Y209 F364 R365 I366 S372 D656 D658	Y209-R368 HydrophobicContact CD1-CG 3.93Å; Y209-R368 HydrophobicContact CD2-CG 4.19Å; Y209-R368 VanDerWaalsContact CD2-CZ 3.5Å; Y209-R368 HydrophobicContact CE1-CG 4.45Å; Y209-R368 HydrophobicContact CG-CG 3.75Å; Y209-R368 PolarHBondContact OH-NH2 2.84Å; F364-R368 PolarHBondContact O-N 3.37Å; R365-R368 WeakPolarHBondContact O-CB 3.42Å; R365-R368 PolarHBondContact O-N 3.34Å; I366-R368 VanDerWaalsContact C-N 3.31Å; I366-R368 PolarHBondContact O-N 2.82Å; R368-S372 VanDerWaalsContact O-CB 3.27Å; R368-S372 WeakPolarHBondContact O-CB 3.42Å; R368-S372 PolarHBondContact O-N 3.26Å; R368-S372 VanDerWaalsContact O-N 3.08Å; R368-S372 PolarHBondContact O-OG 3.47Å; R368-D656 IonicContact CZ-OD1 2.87Å; R368-D656 VanDerWaalsContact CZ-OD1 3.3Å; R368-D656 IonicContact NH1-OD1 3.82Å; R368-D656 PolarHBondContact NH1-OD1 3.09Å; R368-D656 VanDerWaalsContact NH1-OD1 3.07Å; R368-D656 IonicContact NH2-OD1 3.6Å; R368-D656 PolarHBondContact NH2-OD1 2.85Å; R368-D656 IonicContact NH2-OD2 3.85Å; R368-D658 PolarHBondContact NH1-O 3.29Å
369	L	91.8	Very high	92.2	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-52.6	171.1	-78.6	170	0	0	0	111.5	Y209 V273 L350 R365 I366 R367 F371 S372 M373 P380 I381	Y209-L369 HydrophobicContact CD1-CD2 4.08Å; Y209-L369 HydrophobicContact CD1-CG 4.49Å; Y209-L369 HydrophobicContact CE1-CD2 3.53Å; Y209-L369 HydrophobicContact CE1-CG 3.82Å; V273-L369 HydrophobicContact CG1-CD2 4.47Å; L350-L369 HydrophobicContact CB-CD1 4.04Å; L350-L369 HydrophobicContact CD2-CD1 4.35Å; L350-L369 WeakPolarHBondContact O-CD1 3.4Å; R365-L369 PolarHBondContact O-N 3.34Å; R365-L369 VanDerWaalsContact O-N 3.16Å; I366-L369 WeakPolarHBondContact O-CB 3.25Å; I366-L369 PolarHBondContact O-N 2.66Å; R367-L369 VanDerWaalsContact C-N 3.31Å; R367-L369 PolarHBondContact O-N 3.49Å; L369-F371 PolarHBondContact O-N 2.97Å; L369-S372 WeakPolarHBondContact O-CB 3.32Å; L369-S372 PolarHBondContact O-N 3.22Å; L369-S372 VanDerWaalsContact O-N 3.08Å; L369-M373 PolarHBondContact O-N 2.91Å; L369-P380 HydrophobicContact CD2-CB 4.05Å; L369-P380 HydrophobicContact CD2-CG 3.74Å; L369-P380 VanDerWaalsContact O-CB 3.25Å; L369-P380 WeakPolarHBondContact O-CB 3.48Å; L369-I381 HydrophobicContact CD2-CD1 3.86Å; L369-I381 HydrophobicContact CD2-CG1 3.97Å
370	L	92.7	Very high	92.2	Very high	16 Å²	16	37 Å²	37	8%	0.084	19%	0.185	C	C	.	.	H	α-helix	trans	-61.3	-42.1	-176.8	-65.2	174.5	0	0	0	112.6	V273 F296 C299 F300 I366 R367 S372 M373	V273-L370 WeakPolarHBondContact O-CD2 3.39Å; F296-L370 HydrophobicContact CD1-CD1 4.29Å; F296-L370 HydrophobicContact CD1-CD2 4.22Å; F296-L370 HydrophobicContact CG-CD2 4.3Å; C299-L370 HydrophobicContact CB-CD1 4.28Å; F300-L370 HydrophobicContact CB-CD1 4.44Å; F300-L370 HydrophobicContact CD2-CB 4.1Å; I366-L370 HydrophobicContact CG2-CD1 4.12Å; I366-L370 HydrophobicContact CG2-CG 4.4Å; I366-L370 WeakPolarHBondContact O-CG 3.48Å; I366-L370 PolarHBondContact O-N 3.29Å; R367-L370 PolarHBondContact O-N 3.3Å; R367-L370 VanDerWaalsContact O-N 3.16Å; L370-S372 VanDerWaalsContact C-N 3.26Å; L370-S372 PolarHBondContact O-N 3.21Å; L370-M373 WeakPolarHBondContact O-CB 2.98Å; L370-M373 PolarHBondContact O-N 3.11Å
371	F	91.3	Very high	92.4	Very high	74 Å²	74	34.5 Å²	34.5	33%	0.325	17%	0.174	S	C	.	.	H	α-helix	trans	-73.1	-17.8	176.6	-69.2	-44	0	0	0	114	F300 R367 L369	F300-F371 AromaticContact CD2-CD1 3.95Å; F300-F371 HydrophobicContact CD2-CD1 3.95Å; F300-F371 AromaticContact CD2-CE1 3.71Å; F300-F371 HydrophobicContact CD2-CE1 3.71Å; F300-F371 HydrophobicContact CE1-CE1 4.4Å; F300-F371 AromaticContact CE2-CD1 3.43Å; F300-F371 HydrophobicContact CE2-CD1 3.43Å; F300-F371 VanDerWaalsContact CE2-CD1 3.43Å; F300-F371 AromaticContact CE2-CE1 3.44Å; F300-F371 HydrophobicContact CE2-CE1 3.44Å; F300-F371 VanDerWaalsContact CE2-CE1 3.44Å; F300-F371 HydrophobicContact CG-CE1 4.31Å; F300-F371 HydrophobicContact CZ-CD1 4.05Å; F300-F371 AromaticContact CZ-CE1 3.82Å; F300-F371 HydrophobicContact CZ-CE1 3.82Å; R367-F371 HydrophobicContact CB-CD2 4.2Å; R367-F371 HydrophobicContact CB-CE2 4.02Å; R367-F371 WeakPolarHBondContact O-CB 3.25Å; R367-F371 VanDerWaalsContact O-CD2 3.24Å; R367-F371 WeakPolarHBondContact O-CD2 3.44Å; R367-F371 WeakPolarHBondContact O-CG 3.43Å; R367-F371 PolarHBondContact O-N 3.25Å; L369-F371 PolarHBondContact O-N 2.97Å
372	S	93.1	Very high	92.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-82.3	-18.7	174.8	-62.9	0	0	0	0	112.7	S210 H211 R368 L369 L370 P380	S210-S372 WeakPolarHBondContact CB-O 3.27Å; H211-S372 VanDerWaalsContact CB-OG 3.32Å; H211-S372 WeakPolarHBondContact CB-OG 3.11Å; H211-S372 PolarHBondContact N-OG 3.11Å; R368-S372 VanDerWaalsContact O-CB 3.27Å; R368-S372 WeakPolarHBondContact O-CB 3.42Å; R368-S372 PolarHBondContact O-N 3.26Å; R368-S372 VanDerWaalsContact O-N 3.08Å; R368-S372 PolarHBondContact O-OG 3.47Å; L369-S372 WeakPolarHBondContact O-CB 3.32Å; L369-S372 PolarHBondContact O-N 3.22Å; L369-S372 VanDerWaalsContact O-N 3.08Å; L370-S372 VanDerWaalsContact C-N 3.26Å; L370-S372 PolarHBondContact O-N 3.21Å; S372-P380 WeakPolarHBondContact CB-O 3.39Å
373	M	93.2	Very high	92.8	Very high	42 Å²	42	34 Å²	34	21%	0.207	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	136	175.7	-63.5	-63.4	-57.8	0	0	111.1	V273 C274 L369 L370 R375 P378 P380	V273-M373 HydrophobicContact CG1-SD 4.43Å; C274-M373 HydrophobicContact CB-CE 3.89Å; C274-M373 HydrophobicContact CB-CG 4.17Å; C274-M373 HydrophobicContact CB-SD 4.31Å; C274-M373 VanDerWaalsContact SG-CE 3.55Å; L369-M373 PolarHBondContact O-N 2.91Å; L370-M373 WeakPolarHBondContact O-CB 2.98Å; L370-M373 PolarHBondContact O-N 3.11Å; M373-R375 PolarHBondContact O-N 2.66Å; M373-P378 WeakPolarHBondContact CE-O 3.44Å; M373-P380 HydrophobicContact CG-CB 4.27Å; M373-P380 HydrophobicContact SD-CB 3.66Å; M373-P380 WeakPolarHBondContact SD-CD 3.41Å; M373-P380 HydrophobicContact SD-CG 3.57Å; M373-P380 VanDerWaalsContact SD-CG 3.57Å
374	G	90.8	Very high	92.8	Very high	62 Å²	62	34 Å²	34	64%	0.639	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	-0.2	172.7	0	0	0	0	0	115.5	G377	G374-G377 WeakPolarHBondContact CA-O 3.31Å; G374-G377 PolarHBondContact N-O 2.74Å; G374-G377 VanDerWaalsContact N-O 3.09Å
375	R	91.5	Very high	93	Very high	100 Å²	100	32.7 Å²	32.7	38%	0.377	17%	0.167	S	C	.	.	S	Bend	trans	-71.1	-48.3	-177.1	-177.6	178	170.8	96.1	-4.5	113.3	S210 M373	S210-R375 VanDerWaalsContact C-CD 3.47Å; S210-R375 WeakPolarHBondContact O-CD 3.13Å; S210-R375 PolarHBondContact O-NE 2.96Å; M373-R375 PolarHBondContact O-N 2.66Å
376	F	91.9	Very high	93.1	Very high	90 Å²	90	34.1 Å²	34.1	40%	0.395	17%	0.173	S	C	.	.	S	Bend	trans	-120	-14.5	176.5	-57.8	-59	0	0	0	112.6	S210 V215 F231 L382	S210-F376 WeakPolarHBondContact O-CE2 2.95Å; V215-F376 HydrophobicContact CG1-CE2 3.79Å; V215-F376 HydrophobicContact CG1-CZ 3.81Å; F231-F376 HydrophobicContact CE1-CB 4.23Å; F231-F376 HydrophobicContact CZ-CB 4.16Å; F376-L382 HydrophobicContact CD2-CD1 4.05Å; F376-L382 HydrophobicContact CD2-CD2 4.4Å; F376-L382 HydrophobicContact CE2-CD1 4.17Å
377	G	92.1	Very high	93.1	Very high	18 Å²	18	34.3 Å²	34.3	19%	0.186	18%	0.175	C	C	.	.	S	Bend	trans	-179.4	-171.4	-176.7	0	0	0	0	0	110.7	G374 Y379	G374-G377 WeakPolarHBondContact CA-O 3.31Å; G374-G377 PolarHBondContact N-O 2.74Å; G374-G377 VanDerWaalsContact N-O 3.09Å; G377-Y379 PolarHBondContact O-N 3.44Å; G377-Y379 VanDerWaalsContact O-N 3.17Å
378	P	92	Very high	93.1	Very high	51 Å²	51	32.7 Å²	32.7	33%	0.331	17%	0.169	S	C	.	.	S	Bend	trans	-74.5	-3.6	-172.6	28.8	-33.1	0	0	0	113.9	V147 M373	V147-P378 HydrophobicContact CG1-CG 4.28Å; M373-P378 WeakPolarHBondContact CE-O 3.44Å
379	Y	96.1	Very high	93.4	Very high	71 Å²	71	31.7 Å²	31.7	28%	0.278	17%	0.165	S	C	.	.			trans	-121.8	151.7	-174.6	-56.8	-69.3	0	0	0	112.1	F231 S233 G377	F231-Y379 HydrophobicContact CB-CD2 3.45Å; F231-Y379 VanDerWaalsContact CB-CD2 3.45Å; F231-Y379 HydrophobicContact CB-CE2 4.4Å; F231-Y379 HydrophobicContact CB-CG 3.97Å; F231-Y379 HydrophobicContact CD2-CD2 4.19Å; F231-Y379 AromaticContact CG-CD2 3.82Å; F231-Y379 HydrophobicContact CG-CD2 3.82Å; F231-Y379 HydrophobicContact CG-CG 4.42Å; S233-Y379 WeakPolarHBondContact O-CE1 3.5Å; G377-Y379 PolarHBondContact O-N 3.44Å; G377-Y379 VanDerWaalsContact O-N 3.17Å
380	P	95.6	Very high	93.5	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.013	17%	0.171	C	C	.	.	S	Bend	trans	-90.3	-11.6	-170.8	32.1	-29.5	0	0	0	114.5	S210 V273 L369 S372 M373	S210-P380 PolarHBondContact N-O 2.94Å; S210-P380 PolarHBondContact OG-O 2.96Å; V273-P380 HydrophobicContact CG1-CG 4.03Å; L369-P380 HydrophobicContact CD2-CB 4.05Å; L369-P380 HydrophobicContact CD2-CG 3.74Å; L369-P380 VanDerWaalsContact O-CB 3.25Å; L369-P380 WeakPolarHBondContact O-CB 3.48Å; S372-P380 WeakPolarHBondContact CB-O 3.39Å; M373-P380 HydrophobicContact CG-CB 4.27Å; M373-P380 HydrophobicContact SD-CB 3.66Å; M373-P380 WeakPolarHBondContact SD-CD 3.41Å; M373-P380 HydrophobicContact SD-CG 3.57Å; M373-P380 VanDerWaalsContact SD-CG 3.57Å
381	I	96.7	Very high	93.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.6	-172.3	-59.6	164.9	0	0	0	109.2	I207 L208 Y209 F231 V232 L235 F352 L369 I527	I207-I381 HydrophobicContact CB-CG2 3.63Å; I207-I381 HydrophobicContact CD1-CD1 4.02Å; I207-I381 HydrophobicContact CD1-CG1 4.41Å; I207-I381 HydrophobicContact CD1-CG2 3.87Å; I207-I381 HydrophobicContact CG1-CG2 4.19Å; I207-I381 HydrophobicContact CG2-CG2 4.18Å; L208-I381 CarbonylContact O-C 3.58Å; L208-I381 WeakPolarHBondContact O-CA 3.49Å; Y209-I381 HydrophobicContact CD1-CG1 4.07Å; Y209-I381 HydrophobicContact CE1-CD1 4.43Å; Y209-I381 HydrophobicContact CE1-CG1 4.06Å; F231-I381 WeakPolarHBondContact CA-O 3.32Å; V232-I381 HydrophobicContact CB-CB 3.96Å; V232-I381 HydrophobicContact CB-CG2 4.12Å; V232-I381 HydrophobicContact CG2-CB 3.92Å; V232-I381 HydrophobicContact CG2-CG2 3.49Å; V232-I381 VanDerWaalsContact CG2-CG2 3.49Å; V232-I381 PolarHBondContact N-O 3.35Å; L235-I381 HydrophobicContact CD1-CD1 4.33Å; L235-I381 HydrophobicContact CD2-CD1 4.48Å; F352-I381 HydrophobicContact CE2-CD1 4.48Å; L369-I381 HydrophobicContact CD2-CD1 3.86Å; L369-I381 HydrophobicContact CD2-CG1 3.97Å; I381-I527 HydrophobicContact CD1-CD1 4.41Å
382	L	96.1	Very high	93.6	Very high	11 Å²	11	28.6 Å²	28.6	6%	0.058	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.9	173.9	-52.8	176.1	0	0	0	109.9	L208 V215 F229 R230 F231 F376	L208-L382 HydrophobicContact CB-CB 4.34Å; L208-L382 PolarHBondContact N-O 3.37Å; L208-L382 PolarHBondContact O-N 2.67Å; V215-L382 HydrophobicContact CG2-CD1 4.07Å; F229-L382 HydrophobicContact CB-CB 4.46Å; F229-L382 HydrophobicContact CD1-CB 4.06Å; F229-L382 HydrophobicContact CG-CB 4.5Å; R230-L382 CarbonylContact O-C 3.58Å; R230-L382 WeakPolarHBondContact O-CA 3.48Å; F231-L382 HydrophobicContact CD1-CD2 3.76Å; F231-L382 HydrophobicContact CE1-CD2 3.52Å; F231-L382 HydrophobicContact CZ-CD2 4.48Å; F376-L382 HydrophobicContact CD2-CD1 4.05Å; F376-L382 HydrophobicContact CD2-CD2 4.4Å; F376-L382 HydrophobicContact CE2-CD1 4.17Å
383	W	95.6	Very high	93.8	Very high	12 Å²	12	32.4 Å²	32.4	5%	0.045	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.8	175	177.4	-98.7	0	0	0	108.9	P205 I207 F229 R230 V232 M385 I525 I549	P205-W383 HydrophobicContact CB-CH2 3.7Å; P205-W383 HydrophobicContact CB-CZ3 4.07Å; I207-W383 HydrophobicContact CG2-CE3 4.17Å; I207-W383 HydrophobicContact CG2-CZ3 4.33Å; F229-W383 CarbonylContact C-O 3.43Å; F229-W383 WeakPolarHBondContact CA-O 3.3Å; R230-W383 PolarHBondContact N-O 2.66Å; R230-W383 PolarHBondContact O-N 3.45Å; V232-W383 HydrophobicContact CG2-CB 4.39Å; W383-M385 PolarHBondContact O-N 3.47Å; W383-I525 HydrophobicContact CB-CG1 4.35Å; W383-I525 HydrophobicContact CB-CG2 4.34Å; W383-I525 HydrophobicContact CD2-CG2 4.33Å; W383-I525 HydrophobicContact CG-CD1 4.5Å; W383-I525 HydrophobicContact CG-CG1 4.25Å; W383-I525 HydrophobicContact CG-CG2 4.13Å; W383-I549 HydrophobicContact CE3-CG2 4.1Å; W383-I549 HydrophobicContact CH2-CD1 4.32Å; W383-I549 HydrophobicContact CH2-CG2 4.01Å; W383-I549 HydrophobicContact CZ3-CD1 3.7Å; W383-I549 HydrophobicContact CZ3-CG2 3.77Å
384	P	95	Very high	93.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	123.5	175.8	29.1	-32.6	0	0	0	109.8	F229 Y386 G387 L391	F229-P384 HydrophobicContact CD1-CB 4.38Å; F229-P384 HydrophobicContact CE1-CB 4.14Å; P384-Y386 VanDerWaalsContact C-N 3.33Å; P384-Y386 PolarHBondContact O-N 3.32Å; P384-G387 WeakPolarHBondContact CB-O 3.17Å; P384-G387 PolarHBondContact O-N 3.49Å; P384-G387 VanDerWaalsContact O-N 3.08Å; P384-L391 HydrophobicContact CB-CD2 4.36Å; P384-L391 HydrophobicContact CB-CG 4.45Å
385	M	92.5	Very high	94.2	Very high	31 Å²	31	27.7 Å²	27.7	15%	0.153	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-41.1	-169.3	-89	-58.2	-61.3	0	0	114	E228 R230 W383 G387	E228-M385 HydrophobicContact CB-CB 4.06Å; E228-M385 HydrophobicContact CB-CG 4.11Å; E228-M385 WeakPolarHBondContact O-CB 3.46Å; E228-M385 PolarHBondContact O-N 2.91Å; R230-M385 HydrophobicContact CB-CG 4.49Å; R230-M385 HydrophobicContact CB-SD 3.8Å; R230-M385 WeakPolarHBondContact CD-SD 3.36Å; R230-M385 HydrophobicContact CG-CG 4.09Å; R230-M385 HydrophobicContact CG-SD 3.28Å; R230-M385 WeakPolarHBondContact CG-SD 3.21Å; R230-M385 VanDerWaalsContact CZ-SD 3.58Å; R230-M385 PolarHBondContact NE-SD 2.82Å; R230-M385 VanDerWaalsContact NH2-CE 3.26Å; W383-M385 PolarHBondContact O-N 3.47Å; M385-G387 VanDerWaalsContact C-N 3.31Å
386	Y	92.9	Very high	94.4	Very high	77 Å²	77	23.1 Å²	23.1	30%	0.302	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	25.7	-179.3	-50.6	-72.2	0	0	0	112	S47 E228 P384	S47-Y386 VanDerWaalsContact CB-O 3.31Å; S47-Y386 WeakPolarHBondContact CB-O 3.25Å; S47-Y386 PolarHBondContact OG-O 3.03Å; E228-Y386 HydrophobicContact CB-CE2 4.18Å; E228-Y386 HydrophobicContact CG-CE2 4.44Å; E228-Y386 WeakPolarHBondContact OE2-CE2 3.36Å; E228-Y386 PolarHBondContact OE2-OH 2.88Å; P384-Y386 VanDerWaalsContact C-N 3.33Å; P384-Y386 PolarHBondContact O-N 3.32Å
387	G	93.2	Very high	94.6	Very high	5 Å²	5	26 Å²	26	5%	0.052	12%	0.123	C	C	.	.			trans	80.5	174.7	179.5	0	0	0	0	0	114	S47 D202 P384 M385 G389 D390	S47-G387 VanDerWaalsContact OG-C 3.27Å; S47-G387 WeakPolarHBondContact OG-CA 3.45Å; D202-G387 WeakPolarHBondContact OD1-CA 3.41Å; P384-G387 WeakPolarHBondContact CB-O 3.17Å; P384-G387 PolarHBondContact O-N 3.49Å; P384-G387 VanDerWaalsContact O-N 3.08Å; M385-G387 VanDerWaalsContact C-N 3.31Å; G387-G389 PolarHBondContact O-N 3.18Å; G387-D390 VanDerWaalsContact O-CB 3.24Å; G387-D390 WeakPolarHBondContact O-CB 3.42Å; G387-D390 PolarHBondContact O-N 2.83Å; G387-D390 VanDerWaalsContact O-N 3.16Å
388	S	92.8	Very high	94.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.4	-172.4	-53.7	0	0	0	0	112.9	L45 S47 D202 P205 K206 D390 L391	L45-S388 CarbonylContact O-C 3.4Å; S47-S388 PolarHBondContact OG-N 3.28Å; D202-S388 VanDerWaalsContact CG-N 3.25Å; D202-S388 PolarHBondContact OD1-N 3.24Å; D202-S388 WeakPolarHBondContact OD2-CB 3.22Å; D202-S388 PolarHBondContact OD2-N 3Å; D202-S388 PolarHBondContact OD2-OG 2.73Å; P205-S388 WeakPolarHBondContact CA-OG 3.12Å; K206-S388 PolarHBondContact N-OG 2.76Å; S388-D390 PolarHBondContact O-N 3.37Å; S388-L391 WeakPolarHBondContact O-CB 3.41Å; S388-L391 PolarHBondContact O-N 3.42Å
389	G	93.6	Very high	94.9	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.8	-25	176.2	0	0	0	0	0	112.7	L45 S47 G387 L391 T392 Q393	L45-G389 WeakPolarHBondContact O-CA 3.27Å; L45-G389 PolarHBondContact O-N 3.13Å; S47-G389 WeakPolarHBondContact OG-CA 3.41Å; S47-G389 PolarHBondContact OG-N 3.15Å; G387-G389 PolarHBondContact O-N 3.18Å; G389-L391 VanDerWaalsContact C-N 3.26Å; G389-L391 PolarHBondContact O-N 3.13Å; G389-T392 PolarHBondContact O-N 2.76Å; G389-T392 PolarHBondContact O-OG1 2.91Å; G389-Q393 PolarHBondContact O-N 2.96Å; G389-Q393 VanDerWaalsContact O-N 3.11Å
390	D	94	Very high	94.8	Very high	24 Å²	24	21.3 Å²	21.3	13%	0.128	10%	0.1	C	C	.	.	H	α-helix	trans	-63.4	-34.2	178.9	-158.9	34	0	0	0	111.7	L227 G387 S388 T392 Q393 G394	L227-D390 HydrophobicContact CD2-CB 4.32Å; L227-D390 VanDerWaalsContact CD2-O 3.25Å; L227-D390 WeakPolarHBondContact CD2-O 3.47Å; G387-D390 VanDerWaalsContact O-CB 3.24Å; G387-D390 WeakPolarHBondContact O-CB 3.42Å; G387-D390 PolarHBondContact O-N 2.83Å; G387-D390 VanDerWaalsContact O-N 3.16Å; S388-D390 PolarHBondContact O-N 3.37Å; D390-T392 VanDerWaalsContact C-N 3.32Å; D390-T392 PolarHBondContact O-N 3.29Å; D390-Q393 PolarHBondContact O-N 2.91Å; D390-G394 PolarHBondContact O-N 2.83Å
391	L	93.3	Very high	94.6	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-59.9	-43.2	175.5	-55.8	173.5	0	0	0	111.6	L208 L218 L227 F229 P384 S388 G389 G394 Y395 L657	L208-L391 HydrophobicContact CD1-CD1 4.09Å; L208-L391 HydrophobicContact CD1-CD2 4.47Å; L218-L391 HydrophobicContact CD1-CD2 4.21Å; L218-L391 HydrophobicContact CD2-CD2 4.49Å; L227-L391 HydrophobicContact CD1-CD2 3.95Å; L227-L391 HydrophobicContact CD2-CD2 4.37Å; F229-L391 HydrophobicContact CE1-CD2 3.9Å; F229-L391 HydrophobicContact CZ-CD2 3.79Å; P384-L391 HydrophobicContact CB-CD2 4.36Å; P384-L391 HydrophobicContact CB-CG 4.45Å; S388-L391 WeakPolarHBondContact O-CB 3.41Å; S388-L391 PolarHBondContact O-N 3.42Å; G389-L391 VanDerWaalsContact C-N 3.26Å; G389-L391 PolarHBondContact O-N 3.13Å; L391-G394 PolarHBondContact O-N 3.45Å; L391-Y395 VanDerWaalsContact O-CD2 3.32Å; L391-Y395 WeakPolarHBondContact O-CD2 3.41Å; L391-Y395 PolarHBondContact O-N 3.1Å; L391-L657 HydrophobicContact CD1-CD1 3.24Å
392	T	94.2	Very high	94.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.1	-38.4	178.3	71.4	0	0	0	0	111.2	T14 L16 S19 G42 L45 G389 D390 Y395 C396	T14-T392 WeakPolarHBondContact O-CB 3.47Å; L16-T392 HydrophobicContact CB-CG2 4.1Å; L16-T392 HydrophobicContact CD1-CG2 4.46Å; S19-T392 WeakPolarHBondContact CB-O 3.24Å; G42-T392 WeakPolarHBondContact CA-OG1 3.46Å; L45-T392 HydrophobicContact CB-CG2 4.44Å; L45-T392 HydrophobicContact CD1-CG2 4.47Å; G389-T392 PolarHBondContact O-N 2.76Å; G389-T392 PolarHBondContact O-OG1 2.91Å; D390-T392 VanDerWaalsContact C-N 3.32Å; D390-T392 PolarHBondContact O-N 3.29Å; T392-Y395 PolarHBondContact O-N 3.21Å; T392-C396 PolarHBondContact O-N 2.83Å; T392-C396 PolarHBondContact O-SG 2.74Å
393	Q	95.7	Very high	94.1	Very high	80 Å²	80	26.9 Å²	26.9	37%	0.374	14%	0.142	S	C	.	.	H	α-helix	trans	-65.9	-38.5	176.3	-72.4	-176.1	76.8	0	0	112.1	Y41 G389 D390 Y395 C396 R397	Y41-Q393 HydrophobicContact CD2-CG 3.83Å; Y41-Q393 HydrophobicContact CG-CG 3.84Å; G389-Q393 PolarHBondContact O-N 2.96Å; G389-Q393 VanDerWaalsContact O-N 3.11Å; D390-Q393 PolarHBondContact O-N 2.91Å; Q393-Y395 VanDerWaalsContact C-N 3.31Å; Q393-Y395 PolarHBondContact O-N 3.12Å; Q393-C396 PolarHBondContact O-N 3Å; Q393-R397 VanDerWaalsContact O-CB 3.25Å; Q393-R397 WeakPolarHBondContact O-CB 3.36Å; Q393-R397 PolarHBondContact O-N 3.04Å
394	G	95.8	Very high	94.1	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-57.1	-43.8	174.5	0	0	0	0	0	112.3	D390 L391 M398	D390-G394 PolarHBondContact O-N 2.83Å; L391-G394 PolarHBondContact O-N 3.45Å; G394-M398 PolarHBondContact O-N 3.49Å
395	Y	96.8	Very high	94.1	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-69.3	-43.3	173.7	-77.6	-67	0	0	0	113.1	L16 L20 A23 A217 L218 A221 V223 L391 T392 Q393 R397 M398 S399	L16-Y395 HydrophobicContact CD1-CD2 3.92Å; L16-Y395 HydrophobicContact CD1-CE2 3.94Å; L20-Y395 HydrophobicContact CD1-CD1 3.89Å; L20-Y395 HydrophobicContact CD1-CE1 3.25Å; L20-Y395 HydrophobicContact CD1-CE2 3.99Å; L20-Y395 WeakPolarHBondContact CD1-OH 3.39Å; A23-Y395 HydrophobicContact CB-CD1 3.94Å; A217-Y395 VanDerWaalsContact C-OH 3.24Å; A217-Y395 PolarHBondContact O-OH 3.26Å; L218-Y395 WeakPolarHBondContact CA-OH 3.36Å; L218-Y395 HydrophobicContact CD2-CE2 3.58Å; L218-Y395 PolarHBondContact N-OH 2.86Å; A221-Y395 HydrophobicContact CB-CD1 4.31Å; A221-Y395 HydrophobicContact CB-CE1 3.52Å; V223-Y395 HydrophobicContact CG1-CD1 3.62Å; V223-Y395 HydrophobicContact CG1-CE1 3.82Å; V223-Y395 HydrophobicContact CG1-CG 4.16Å; V223-Y395 HydrophobicContact CG2-CD1 4.39Å; V223-Y395 HydrophobicContact CG2-CE1 3.96Å; V223-Y395 HydrophobicContact CG2-CE2 4.23Å; L391-Y395 VanDerWaalsContact O-CD2 3.32Å; L391-Y395 WeakPolarHBondContact O-CD2 3.41Å; L391-Y395 PolarHBondContact O-N 3.1Å; T392-Y395 PolarHBondContact O-N 3.21Å; Q393-Y395 VanDerWaalsContact C-N 3.31Å; Q393-Y395 PolarHBondContact O-N 3.12Å; Y395-R397 VanDerWaalsContact C-N 3.27Å; Y395-R397 PolarHBondContact O-N 2.71Å; Y395-M398 PolarHBondContact O-N 3.06Å; Y395-S399 WeakPolarHBondContact O-CB 3.45Å; Y395-S399 PolarHBondContact O-N 2.94Å
396	C	97	Very high	94.3	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.027	16%	0.157	C	C	.	.	H	α-helix	trans	-58.8	-42.2	175.3	-66.7	0	0	0	0	111.1	S19 Y41 T392 Q393 S399 A400 F406	S19-C396 VanDerWaalsContact CB-SG 3.51Å; Y41-C396 HydrophobicContact CD1-CB 4.23Å; Y41-C396 HydrophobicContact CE1-CB 4.09Å; T392-C396 PolarHBondContact O-N 2.83Å; T392-C396 PolarHBondContact O-SG 2.74Å; Q393-C396 PolarHBondContact O-N 3Å; C396-S399 WeakPolarHBondContact O-CB 3.18Å; C396-S399 PolarHBondContact O-N 2.88Å; C396-A400 PolarHBondContact O-N 3.05Å; C396-F406 HydrophobicContact CB-CE1 3.76Å; C396-F406 HydrophobicContact CB-CZ 3.86Å; C396-F406 WeakPolarHBondContact O-CE2 3.48Å; C396-F406 VanDerWaalsContact O-CZ 3.25Å; C396-F406 WeakPolarHBondContact O-CZ 3.28Å
397	R	95.9	Very high	94.4	Very high	152 Å²	152	27.4 Å²	27.4	57%	0.574	15%	0.153	S	C	*	.	H	α-helix	trans	-62.2	-46.9	176.3	-179.2	59	175.7	179.1	1.1	111.2	Y226 Q393 Y395 S399 A400 V401	Y226-R397 HydrophobicContact CD1-CG 4.16Å; Y226-R397 HydrophobicContact CD2-CB 4.41Å; Y226-R397 HydrophobicContact CD2-CG 4.28Å; Y226-R397 HydrophobicContact CE1-CG 4.01Å; Y226-R397 HydrophobicContact CE2-CB 4.48Å; Y226-R397 HydrophobicContact CE2-CG 4.13Å; Y226-R397 HydrophobicContact CG-CG 4.31Å; Q393-R397 VanDerWaalsContact O-CB 3.25Å; Q393-R397 WeakPolarHBondContact O-CB 3.36Å; Q393-R397 PolarHBondContact O-N 3.04Å; Y395-R397 VanDerWaalsContact C-N 3.27Å; Y395-R397 PolarHBondContact O-N 2.71Å; R397-S399 VanDerWaalsContact C-N 3.25Å; R397-S399 PolarHBondContact O-N 3.2Å; R397-A400 WeakPolarHBondContact O-CB 3.33Å; R397-A400 PolarHBondContact O-N 2.86Å; R397-V401 WeakPolarHBondContact O-CG2 3.38Å; R397-V401 PolarHBondContact O-N 2.85Å
398	M	94.2	Very high	94.5	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.02	16%	0.164	C	C	.	.	H	α-helix	trans	-58.8	-41.4	174.9	-171.4	57.9	89.8	0	0	111.4	A23 I27 A221 D222 V223 Y226 G394 Y395 A400 V401 F402 A752	A23-M398 HydrophobicContact CB-CB 4.42Å; I27-M398 HydrophobicContact CD1-CG 4.32Å; A221-M398 WeakPolarHBondContact O-CE 3.37Å; D222-M398 VanDerWaalsContact C-CE 3.44Å; D222-M398 HydrophobicContact CB-CE 3.96Å; D222-M398 WeakPolarHBondContact O-CE 3.43Å; V223-M398 HydrophobicContact CG1-CB 3.77Å; V223-M398 HydrophobicContact CG1-CE 4.32Å; V223-M398 HydrophobicContact CG1-CG 4.18Å; Y226-M398 HydrophobicContact CE2-CB 4.22Å; Y226-M398 HydrophobicContact CE2-CE 3.85Å; Y226-M398 HydrophobicContact CE2-SD 4.33Å; G394-M398 PolarHBondContact O-N 3.49Å; Y395-M398 PolarHBondContact O-N 3.06Å; M398-A400 VanDerWaalsContact C-N 3.33Å; M398-A400 PolarHBondContact O-N 3.35Å; M398-V401 PolarHBondContact O-N 2.95Å; M398-F402 HydrophobicContact CG-CD2 4.38Å; M398-F402 HydrophobicContact CG-CE2 4.31Å; M398-F402 VanDerWaalsContact O-CD2 3.3Å; M398-F402 WeakPolarHBondContact O-CD2 3.38Å; M398-F402 PolarHBondContact O-N 2.91Å; M398-F402 HydrophobicContact SD-CD2 4.16Å; M398-F402 HydrophobicContact SD-CE2 3.66Å; M398-A752 HydrophobicContact CE-CB 4.16Å; M398-A752 HydrophobicContact SD-CB 4.36Å
399	S	95.1	Very high	94.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65	-36.8	177.6	-163	0	0	0	0	113.2	S22 A23 S26 Y395 C396 R397 F402 G403 T404	S22-S399 WeakPolarHBondContact CB-OG 3.11Å; S22-S399 PolarHBondContact O-OG 3.22Å; S22-S399 VanDerWaalsContact O-OG 3.08Å; S22-S399 PolarHBondContact OG-OG 2.82Å; A23-S399 PolarHBondContact N-OG 3.39Å; S26-S399 VanDerWaalsContact OG-CA 3.26Å; S26-S399 WeakPolarHBondContact OG-CA 3.44Å; S26-S399 PolarHBondContact OG-OG 2.89Å; S26-S399 VanDerWaalsContact OG-OG 3.09Å; Y395-S399 WeakPolarHBondContact O-CB 3.45Å; Y395-S399 PolarHBondContact O-N 2.94Å; C396-S399 WeakPolarHBondContact O-CB 3.18Å; C396-S399 PolarHBondContact O-N 2.88Å; R397-S399 VanDerWaalsContact C-N 3.25Å; R397-S399 PolarHBondContact O-N 3.2Å; S399-F402 CarbonylContact O-C 2.99Å; S399-F402 PolarHBondContact O-N 2.62Å; S399-G403 PolarHBondContact O-N 3.47Å; S399-T404 VanDerWaalsContact O-CB 3.22Å; S399-T404 WeakPolarHBondContact O-CB 3.3Å; S399-T404 PolarHBondContact O-N 2.86Å; S399-T404 VanDerWaalsContact O-N 3.15Å; S399-T404 PolarHBondContact O-OG1 2.8Å; S399-T404 WeakPolarHBondContact OG-CB 3.44Å; S399-T404 PolarHBondContact OG-OG1 2.89Å
400	A	94.4	Very high	94.7	Very high	37 Å²	37	32.2 Å²	32.2	31%	0.306	19%	0.189	S	C	.	.	H	α-helix	trans	-68.7	-37.5	176.5	0	0	0	0	0	112.6	C396 R397 M398 F402 G403 F406	C396-A400 PolarHBondContact O-N 3.05Å; R397-A400 WeakPolarHBondContact O-CB 3.33Å; R397-A400 PolarHBondContact O-N 2.86Å; M398-A400 VanDerWaalsContact C-N 3.33Å; M398-A400 PolarHBondContact O-N 3.35Å; A400-F402 PolarHBondContact O-N 3.16Å; A400-G403 PolarHBondContact O-N 2.9Å; A400-F406 HydrophobicContact CB-CD2 3.9Å; A400-F406 HydrophobicContact CB-CE2 3.68Å
401	V	91.6	Very high	94.7	Very high	77 Å²	77	32.8 Å²	32.8	47%	0.467	19%	0.19	S	C	.	.	H	α-helix	trans	-57.2	-34.4	174.3	168.7	0	0	0	0	110.9	R397 M398 G403	R397-V401 WeakPolarHBondContact O-CG2 3.38Å; R397-V401 PolarHBondContact O-N 2.85Å; M398-V401 PolarHBondContact O-N 2.95Å; V401-G403 VanDerWaalsContact C-N 3.34Å
402	F	91.1	Very high	94.8	Very high	13 Å²	13	32.8 Å²	32.8	6%	0.057	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	23.3	177.9	-70.7	-63.6	0	0	0	114.1	I27 M398 S399 A400 Y737 A752 P753 I758	I27-F402 HydrophobicContact CG1-CD2 3.57Å; I27-F402 HydrophobicContact CG1-CE2 3.64Å; I27-F402 HydrophobicContact CG1-CG 4.33Å; I27-F402 HydrophobicContact CG1-CZ 4.44Å; M398-F402 HydrophobicContact CG-CD2 4.38Å; M398-F402 HydrophobicContact CG-CE2 4.31Å; M398-F402 VanDerWaalsContact O-CD2 3.3Å; M398-F402 WeakPolarHBondContact O-CD2 3.38Å; M398-F402 PolarHBondContact O-N 2.91Å; M398-F402 HydrophobicContact SD-CD2 4.16Å; M398-F402 HydrophobicContact SD-CE2 3.66Å; S399-F402 CarbonylContact O-C 2.99Å; S399-F402 PolarHBondContact O-N 2.62Å; A400-F402 PolarHBondContact O-N 3.16Å; F402-Y737 HydrophobicContact CB-CE1 4.47Å; F402-Y737 WeakPolarHBondContact CB-OH 3.28Å; F402-Y737 HydrophobicContact CD1-CE1 4.04Å; F402-Y737 AromaticContact CD1-CE2 3.95Å; F402-Y737 HydrophobicContact CD1-CE2 3.95Å; F402-Y737 AromaticContact CD1-CZ 3.44Å; F402-Y737 VanDerWaalsContact CD1-CZ 3.44Å; F402-Y737 WeakPolarHBondContact CD1-OH 3.43Å; F402-Y737 HydrophobicContact CE1-CE2 4.32Å; F402-Y737 WeakPolarHBondContact CG-OH 3.39Å; F402-A752 HydrophobicContact CE2-CB 4.24Å; F402-A752 HydrophobicContact CZ-CB 4.42Å; F402-P753 HydrophobicContact CE1-CG 3.51Å; F402-P753 VanDerWaalsContact CZ-CD 3.48Å; F402-P753 HydrophobicContact CZ-CG 3.53Å; F402-I758 HydrophobicContact CE1-CD1 3.83Å; F402-I758 HydrophobicContact CZ-CD1 4.39Å
403	G	91.2	Very high	94.8	Very high	40 Å²	40	36.6 Å²	36.6	41%	0.412	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	8.7	165.8	0	0	0	0	0	116.2	S399 A400 V401 T405	S399-G403 PolarHBondContact O-N 3.47Å; A400-G403 PolarHBondContact O-N 2.9Å; V401-G403 VanDerWaalsContact C-N 3.34Å; G403-T405 PolarHBondContact O-N 3.4Å
404	T	95.6	Very high	94.6	Very high	10 Å²	10	35.5 Å²	35.5	6%	0.061	20%	0.201	C	C	.	.			trans	-65.9	133.6	174.4	-63	0	0	0	0	111.2	S26 I32 H34 S399 F406	S26-T404 WeakPolarHBondContact CB-OG1 3.3Å; I32-T404 HydrophobicContact CB-CG2 3.86Å; I32-T404 HydrophobicContact CG2-CG2 4.03Å; H34-T404 HydrophobicContact CB-CG2 3.72Å; S399-T404 VanDerWaalsContact O-CB 3.22Å; S399-T404 WeakPolarHBondContact O-CB 3.3Å; S399-T404 PolarHBondContact O-N 2.86Å; S399-T404 VanDerWaalsContact O-N 3.15Å; S399-T404 PolarHBondContact O-OG1 2.8Å; S399-T404 WeakPolarHBondContact OG-CB 3.44Å; S399-T404 PolarHBondContact OG-OG1 2.89Å; T404-F406 HydrophobicContact CG2-CD2 3.84Å; T404-F406 HydrophobicContact CG2-CE2 3.35Å; T404-F406 HydrophobicContact CG2-CZ 3.75Å; T404-F406 WeakPolarHBondContact O-CD2 3.41Å
405	T	96.1	Very high	94.5	Very high	45 Å²	45	35.6 Å²	35.6	28%	0.276	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.1	173.2	-61.5	0	0	0	0	109.7	I32 L33 H34 G403	I32-T405 PolarHBondContact O-N 3.36Å; L33-T405 HydrophobicContact CD1-CG2 3.85Å; H34-T405 PolarHBondContact N-O 2.79Å; G403-T405 PolarHBondContact O-N 3.4Å
406	F	95.2	Very high	94.2	Very high	46 Å²	46	38 Å²	38	20%	0.202	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143.2	-179.4	-79.5	-90.9	0	0	0	113.3	H34 Y41 C396 A400 T404	H34-F406 HydrophobicContact CB-CD1 3.85Å; H34-F406 HydrophobicContact CB-CE1 3.58Å; H34-F406 HydrophobicContact CB-CG 4.49Å; H34-F406 HydrophobicContact CB-CZ 3.98Å; H34-F406 AromaticContact CG-CE1 3.52Å; H34-F406 AromaticContact ND1-CE1 3.23Å; H34-F406 WeakPolarHBondContact ND1-CE1 3.28Å; H34-F406 AromaticContact ND1-CZ 3.58Å; H34-F406 VanDerWaalsContact O-CA 3.26Å; H34-F406 WeakPolarHBondContact O-CA 3.42Å; Y41-F406 HydrophobicContact CE1-CD1 4.06Å; Y41-F406 HydrophobicContact CE1-CE1 4.33Å; C396-F406 HydrophobicContact CB-CE1 3.76Å; C396-F406 HydrophobicContact CB-CZ 3.86Å; C396-F406 WeakPolarHBondContact O-CE2 3.48Å; C396-F406 VanDerWaalsContact O-CZ 3.25Å; C396-F406 WeakPolarHBondContact O-CZ 3.28Å; A400-F406 HydrophobicContact CB-CD2 3.9Å; A400-F406 HydrophobicContact CB-CE2 3.68Å; T404-F406 HydrophobicContact CG2-CD2 3.84Å; T404-F406 HydrophobicContact CG2-CE2 3.35Å; T404-F406 HydrophobicContact CG2-CZ 3.75Å; T404-F406 WeakPolarHBondContact O-CD2 3.41Å
407	C	95.8	Very high	93.7	Very high	31 Å²	31	42.1 Å²	42.1	21%	0.209	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	109	168.3	-170.6	0	0	0	0	113.1	F3 H34 I35 D36 C410	F3-C407 HydrophobicContact CE1-CB 4.25Å; F3-C407 HydrophobicContact CZ-CB 3.6Å; H34-C407 PolarHBondContact O-N 3.33Å; I35-C407 VanDerWaalsContact CA-O 3.23Å; I35-C407 WeakPolarHBondContact CA-O 3.42Å; I35-C407 WeakPolarHBondContact CB-O 3.02Å; I35-C407 HydrophobicContact CG2-CB 4.02Å; D36-C407 PolarHBondContact N-O 2.84Å; D36-C407 VanDerWaalsContact N-O 3.14Å; C407-C410 HydrophobicContact CB-CB 4.06Å; C407-C410 WeakPolarHBondContact SG-CB 3.46Å
408	L	96	Very high	93.1	Very high	54 Å²	54	36.2 Å²	36.2	28%	0.283	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	161.1	167.8	-60.8	-178.1	0	0	0	111.4	T14 D36 N38 Y41 C410	T14-L408 HydrophobicContact CG2-CD2 4.5Å; D36-L408 HydrophobicContact CB-CD2 3.69Å; D36-L408 CarbonylContact O-C 3.57Å; N38-L408 WeakPolarHBondContact O-CB 3.4Å; Y41-L408 HydrophobicContact CD1-CD2 4.04Å; Y41-L408 HydrophobicContact CD2-CD1 4.06Å; Y41-L408 HydrophobicContact CE1-CD2 3.87Å; Y41-L408 HydrophobicContact CE1-CG 4.39Å; Y41-L408 HydrophobicContact CE2-CD1 3.71Å; Y41-L408 HydrophobicContact CE2-CD2 4.5Å; Y41-L408 HydrophobicContact CE2-CG 4.41Å; Y41-L408 HydrophobicContact CG-CD2 4.4Å; L408-C410 PolarHBondContact O-N 3.27Å
409	G	94.5	Very high	91.8	Very high	50 Å²	50	38 Å²	38	52%	0.515	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	16.4	-173.8	0	0	0	0	0	113.7	D36 N38	D36-G409 PolarHBondContact O-N 2.96Å; N38-G409 PolarHBondContact O-N 2.89Å
410	C	95.1	Very high	89.9	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.014	24%	0.243	C	C	.	.			trans	-125	130.9	-175.8	-169.4	0	0	0	0	109.9	I35 D36 R37 C407 L408 S474	I35-C410 HydrophobicContact CB-CB 4.29Å; I35-C410 HydrophobicContact CG2-CB 4.4Å; D36-C410 CarbonylContact C-O 3.6Å; D36-C410 PolarHBondContact N-O 2.78Å; D36-C410 PolarHBondContact O-N 2.99Å; R37-C410 PolarHBondContact N-O 2.94Å; C407-C410 HydrophobicContact CB-CB 4.06Å; C407-C410 WeakPolarHBondContact SG-CB 3.46Å; L408-C410 PolarHBondContact O-N 3.27Å; C410-S474 WeakPolarHBondContact CA-OG 3.36Å
411	K	94.7	Very high	87.9	Confident	37 Å²	37	48.2 Å²	48.2	16%	0.161	27%	0.267	C	S	.	.			trans	-131.3	154.5	-177.7	68.4	178.3	-175.2	179	0	112	R37 I81 K413 L473 S474	R37-K411 HydrophobicContact CB-CB 3.9Å; R37-K411 HydrophobicContact CB-CD 4.41Å; I81-K411 PolarHBondContact O-NZ 3.45Å; K411-K413 PolarHBondContact O-N 2.97Å; K411-L473 CarbonylContact O-C 3.6Å; K411-L473 WeakPolarHBondContact O-CA 3.41Å; K411-S474 PolarHBondContact N-OG 3.23Å; K411-S474 PolarHBondContact O-N 3.04Å
412	V	95.2	Very high	85.8	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	121.9	167.5	177.3	0	0	0	0	108.9	V10 D12 I35 L78 I415 V471 L473 L486	V10-V412 HydrophobicContact CG1-CG2 4.46Å; D12-V412 HydrophobicContact CB-CG2 3.87Å; D12-V412 WeakPolarHBondContact OD2-CB 3.43Å; D12-V412 WeakPolarHBondContact OD2-CG2 3.36Å; D12-V412 PolarHBondContact OD2-N 3Å; I35-V412 HydrophobicContact CD1-CG2 4.03Å; L78-V412 HydrophobicContact CD1-CB 4.45Å; L78-V412 HydrophobicContact CD1-CG1 4.07Å; V412-I415 HydrophobicContact CG1-CD1 4.22Å; V412-I415 HydrophobicContact CG1-CG1 3.65Å; V412-V471 HydrophobicContact CB-CG1 4.33Å; V412-V471 HydrophobicContact CG1-CG1 3.81Å; V412-V471 HydrophobicContact CG2-CG1 3.69Å; V412-L473 HydrophobicContact CG2-CD2 4.35Å; V412-L486 HydrophobicContact CG2-CD2 4.43Å
413	K	93.6	Very high	83.7	Confident	80 Å²	80	50.5 Å²	50.5	35%	0.348	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-37.2	171.5	-79.8	-177	169.2	160	0	111.8	L78 S79 K411 Y472 S474	L78-K413 CarbonylContact C-O 3.59Å; L78-K413 WeakPolarHBondContact CA-O 3.17Å; L78-K413 PolarHBondContact N-O 2.81Å; S79-K413 PolarHBondContact N-O 3.49Å; K411-K413 PolarHBondContact O-N 2.97Å; K413-Y472 PolarHBondContact N-O 3.19Å; K413-S474 PolarHBondContact NZ-O 2.75Å
414	K	92.4	Very high	81.5	Confident	58 Å²	58	51.8 Å²	51.8	25%	0.252	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	143.4	-175.2	167.3	179.8	156	171.6	0	110.6	C75 L76 Y472	C75-K414 WeakPolarHBondContact SG-CD 3.4Å; C75-K414 WeakPolarHBondContact SG-CE 3.5Å; L76-K414 CarbonylContact O-C 3.51Å; L76-K414 VanDerWaalsContact O-CA 3.24Å; L76-K414 WeakPolarHBondContact O-CA 3.4Å; K414-Y472 HydrophobicContact CB-CD2 4.08Å; K414-Y472 HydrophobicContact CB-CG 4.35Å; K414-Y472 HydrophobicContact CD-CD2 4.09Å; K414-Y472 HydrophobicContact CD-CE2 4.28Å; K414-Y472 HydrophobicContact CG-CD2 3.88Å; K414-Y472 HydrophobicContact CG-CE2 4.38Å; K414-Y472 PolarHBondContact N-O 3.3Å; K414-Y472 PolarHBondContact O-N 3.03Å
415	I	92.7	Very high	79.1	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.015	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.9	170.4	-51.3	177.1	0	0	0	107.7	C75 L76 V412 F469 V484 L486 I645	C75-I415 CarbonylContact C-O 3.53Å; C75-I415 WeakPolarHBondContact CA-O 3.31Å; L76-I415 HydrophobicContact CB-CB 4.33Å; L76-I415 HydrophobicContact CD2-CD1 4.2Å; L76-I415 PolarHBondContact N-O 3.09Å; L76-I415 PolarHBondContact O-N 3.4Å; V412-I415 HydrophobicContact CG1-CD1 4.22Å; V412-I415 HydrophobicContact CG1-CG1 3.65Å; I415-F469 HydrophobicContact CG2-CB 4.14Å; I415-F469 HydrophobicContact CG2-CD1 3.67Å; I415-F469 HydrophobicContact CG2-CE1 4.45Å; I415-F469 HydrophobicContact CG2-CG 4.11Å; I415-V484 HydrophobicContact CD1-CB 4.21Å; I415-V484 HydrophobicContact CD1-CG1 3.81Å; I415-V484 HydrophobicContact CD1-CG2 4.22Å; I415-V484 HydrophobicContact CG2-CG2 4.42Å; I415-L486 HydrophobicContact CD1-CD1 4.34Å; I415-I645 HydrophobicContact CD1-CD1 4.19Å; I415-I645 HydrophobicContact CG2-CD1 4.13Å
416	Q	90.8	Very high	76.5	Confident	55 Å²	55	56.5 Å²	56.5	26%	0.257	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.7	178.7	179	172	-31.7	0	0	110.3	K74 F469 I470 Y472	K74-Q416 WeakPolarHBondContact O-CA 3.31Å; Q416-F469 CarbonylContact O-C 3.58Å; Q416-F469 VanDerWaalsContact O-CA 3.28Å; Q416-F469 WeakPolarHBondContact O-CA 3.39Å; Q416-I470 PolarHBondContact N-O 3Å; Q416-I470 PolarHBondContact O-N 2.89Å; Q416-Y472 HydrophobicContact CB-CE2 3.95Å; Q416-Y472 PolarHBondContact OE1-OH 3.16Å
417	Y	87.2	Confident	74	Confident	90 Å²	90	59.8 Å²	59.8	35%	0.353	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	140.1	174.7	-167.8	-103.2	0	0	0	111.4	K74 N419 D468 F469	K74-Y417 PolarHBondContact O-N 3.31Å; Y417-N419 WeakPolarHBondContact CD1-OD1 3.38Å; Y417-D468 WeakPolarHBondContact CA-O 3.17Å; Y417-D468 HydrophobicContact CD2-CB 4.4Å; Y417-D468 WeakPolarHBondContact CD2-O 3.24Å; Y417-D468 HydrophobicContact CE2-CB 3.86Å; Y417-D468 PolarHBondContact OH-OD1 3.08Å; Y417-F469 HydrophobicContact CD2-CD1 4.08Å; Y417-F469 AromaticContact CD2-CE1 3.66Å; Y417-F469 HydrophobicContact CD2-CE1 3.66Å; Y417-F469 HydrophobicContact CD2-CZ 4.18Å; Y417-F469 HydrophobicContact CE2-CE1 4.36Å; Y417-F469 HydrophobicContact CE2-CZ 4.44Å
418	I	83.2	Confident	71.6	Confident	27 Å²	27	61.4 Å²	61.4	14%	0.138	34%	0.343	C	S	.	.			trans	-100.3	116.4	176.9	-52.9	175.5	0	0	0	108.5	S420 D467 D468 I470	I418-S420 PolarHBondContact O-N 3.08Å; I418-D467 HydrophobicContact CD1-CB 4.49Å; I418-D468 PolarHBondContact N-O 3.23Å; I418-I470 HydrophobicContact CD1-CD1 4.13Å; I418-I470 HydrophobicContact CD1-CG1 3.54Å; I418-I470 HydrophobicContact CG1-CD1 4.2Å; I418-I470 HydrophobicContact CG1-CG1 3.73Å
419	N	65.3	Low	69.3	Low	43 Å²	43	63.1 Å²	63.1	23%	0.23	36%	0.355	C	S	.	.			trans	-83	102.5	168.3	-93.2	46.2	0	0	0	108.8	K74 Y417 E421 V422 D423	K74-N419 PolarHBondContact NZ-ND2 3.02Å; K74-N419 PolarHBondContact NZ-OD1 3.39Å; Y417-N419 WeakPolarHBondContact CD1-OD1 3.38Å; N419-E421 PolarHBondContact O-N 2.91Å; N419-V422 HydrophobicContact CB-CB 4.09Å; N419-V422 HydrophobicContact CB-CG2 4.08Å; N419-V422 PolarHBondContact O-N 2.87Å; N419-D423 PolarHBondContact O-N 2.82Å
420	S	56.9	Low	66.8	Low	77 Å²	77	66.8 Å²	66.8	54%	0.538	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.5	173.9	-107.2	0	0	0	0	113.4	I418	I418-S420 PolarHBondContact O-N 3.08Å
421	E	51.4	Low	64.5	Low	174 Å²	174	72 Å²	72	81%	0.813	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-23.3	178.7	-66	-173.2	163.5	0	0	114.9	N419	N419-E421 PolarHBondContact O-N 2.91Å
422	V	48.7	Very low	62	Low	74 Å²	74	77.5 Å²	77.5	45%	0.448	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-37.7	-169.5	-173.3	0	0	0	0	112.3	N419 A424 V425 T426	N419-V422 HydrophobicContact CB-CB 4.09Å; N419-V422 HydrophobicContact CB-CG2 4.08Å; N419-V422 PolarHBondContact O-N 2.87Å; V422-A424 PolarHBondContact O-N 2.94Å; V422-V425 PolarHBondContact O-N 2.83Å; V422-T426 PolarHBondContact O-N 3.29Å; V422-T426 PolarHBondContact O-OG1 2.89Å
423	D	46.9	Very low	59.6	Low	63 Å²	63	81.4 Å²	81.4	34%	0.337	44%	0.442	S	S	.	.	H	α-helix	trans	-76.7	-21.3	-175.8	-73.6	-27.5	0	0	0	113.6	N419 V425 T426 Q427	N419-D423 PolarHBondContact O-N 2.82Å; D423-V425 PolarHBondContact O-N 3.26Å; D423-T426 PolarHBondContact O-N 3.1Å; D423-Q427 PolarHBondContact O-N 2.98Å
424	A	44.2	Very low	56.9	Low	67 Å²	67	82.4 Å²	82.4	55%	0.554	46%	0.455	S	S	*	.	H	α-helix	trans	-62.2	-29.2	169.8	0	0	0	0	0	112.2	V422 S428	V422-A424 PolarHBondContact O-N 2.94Å; A424-S428 PolarHBondContact O-N 2.79Å; A424-S428 PolarHBondContact O-OG 2.88Å
425	V	46.1	Very low	54.2	Low	89 Å²	89	86.4 Å²	86.4	54%	0.539	48%	0.479	S	S	.	.	H	α-helix	trans	-79.9	-40.5	175.2	-175.3	0	0	0	0	110.4	V422 D423 S428 V429	V422-V425 PolarHBondContact O-N 2.83Å; D423-V425 PolarHBondContact O-N 3.26Å; V425-S428 WeakPolarHBondContact CA-OG 3.44Å; V425-S428 PolarHBondContact O-N 3.36Å; V425-S428 PolarHBondContact O-OG 3.06Å; V425-V429 WeakPolarHBondContact O-CG2 3.42Å; V425-V429 PolarHBondContact O-N 3.17Å
426	T	41.1	Very low	51.2	Low	65 Å²	65	94.5 Å²	94.5	40%	0.399	52%	0.519	S	S	.	.	H	α-helix	trans	-68.5	-40.3	-179	-34	0	0	0	0	112.3	V422 D423 S428 V429 E430	V422-T426 PolarHBondContact O-N 3.29Å; V422-T426 PolarHBondContact O-OG1 2.89Å; D423-T426 PolarHBondContact O-N 3.1Å; T426-S428 VanDerWaalsContact C-N 3.32Å; T426-S428 PolarHBondContact O-N 2.8Å; T426-V429 PolarHBondContact O-N 2.68Å; T426-E430 PolarHBondContact O-N 3.32Å
427	Q	41.6	Very low	48.3	Very low	116 Å²	116	100.8 Å²	100.8	54%	0.542	55%	0.546	S	S	.	.	H	α-helix	trans	-68.4	-30.6	175.7	-72.3	-178	1.6	0	0	112.7	D423 N431	D423-Q427 PolarHBondContact O-N 2.98Å; Q427-N431 WeakPolarHBondContact O-CB 3.3Å; Q427-N431 VanDerWaalsContact O-CG 3.22Å; Q427-N431 PolarHBondContact O-N 3.24Å; Q427-N431 PolarHBondContact O-ND2 3.38Å
428	S	46.3	Very low	45.6	Very low	65 Å²	65	104 Å²	104	46%	0.455	57%	0.569	S	S	.	*	H	α-helix	trans	-72.2	-32.3	172.5	49.4	0	0	0	0	112.2	A424 V425 T426 M432	A424-S428 PolarHBondContact O-N 2.79Å; A424-S428 PolarHBondContact O-OG 2.88Å; V425-S428 WeakPolarHBondContact CA-OG 3.44Å; V425-S428 PolarHBondContact O-N 3.36Å; V425-S428 PolarHBondContact O-OG 3.06Å; T426-S428 VanDerWaalsContact C-N 3.32Å; T426-S428 PolarHBondContact O-N 2.8Å; S428-M432 WeakPolarHBondContact O-CB 3.48Å; S428-M432 PolarHBondContact O-N 3.38Å; S428-M432 VanDerWaalsContact O-N 3.09Å
429	V	48.4	Very low	43.2	Very low	90 Å²	90	112 Å²	112	55%	0.545	61%	0.606	S	S	.	*	H	α-helix	trans	-72.9	-42	175.2	176.2	0	0	0	0	112.2	V425 T426 N431 M432 S433	V425-V429 WeakPolarHBondContact O-CG2 3.42Å; V425-V429 PolarHBondContact O-N 3.17Å; T426-V429 PolarHBondContact O-N 2.68Å; V429-N431 VanDerWaalsContact C-N 3.35Å; V429-N431 PolarHBondContact O-N 3.39Å; V429-M432 PolarHBondContact O-N 2.85Å; V429-M432 VanDerWaalsContact O-N 3.14Å; V429-S433 PolarHBondContact O-N 3.28Å; V429-S433 PolarHBondContact O-OG 3.22Å
430	E	41.8	Very low	41.4	Very low	126 Å²	126	119.1 Å²	119.1	59%	0.589	64%	0.638	S	S	*	*	H	α-helix	trans	-63.1	-42.2	176.8	-77.1	-173.7	166.7	0	0	111.4	T426 M432 S433 T434	T426-E430 PolarHBondContact O-N 3.32Å; E430-M432 VanDerWaalsContact C-N 3.28Å; E430-M432 PolarHBondContact O-N 3.07Å; E430-S433 WeakPolarHBondContact CA-OG 3.34Å; E430-S433 PolarHBondContact O-N 2.9Å; E430-S433 VanDerWaalsContact O-N 3.16Å; E430-S433 PolarHBondContact O-OG 3.07Å; E430-T434 PolarHBondContact O-N 3.02Å
431	N	45.9	Very low	40	Very low	112 Å²	112	122.8 Å²	122.8	60%	0.599	65%	0.649	S	S	*	*	H	α-helix	trans	-67.1	-26.3	174.9	-70.7	-17.3	0	0	0	113.3	Q427 V429 T434	Q427-N431 WeakPolarHBondContact O-CB 3.3Å; Q427-N431 VanDerWaalsContact O-CG 3.22Å; Q427-N431 PolarHBondContact O-N 3.24Å; Q427-N431 PolarHBondContact O-ND2 3.38Å; V429-N431 VanDerWaalsContact C-N 3.35Å; V429-N431 PolarHBondContact O-N 3.39Å; N431-T434 PolarHBondContact O-OG1 3.39Å
432	M	42.8	Very low	38.8	Very low	152 Å²	152	121.1 Å²	121.1	75%	0.749	65%	0.652	S	S	*	*	H	α-helix	trans	-75.4	-33.5	173.5	-146	77.5	158	0	0	111.7	S428 V429 E430	S428-M432 WeakPolarHBondContact O-CB 3.48Å; S428-M432 PolarHBondContact O-N 3.38Å; S428-M432 VanDerWaalsContact O-N 3.09Å; V429-M432 PolarHBondContact O-N 2.85Å; V429-M432 VanDerWaalsContact O-N 3.14Å; E430-M432 VanDerWaalsContact C-N 3.28Å; E430-M432 PolarHBondContact O-N 3.07Å
433	S	43.8	Very low	37.6	Very low	84 Å²	84	123.2 Å²	123.2	59%	0.587	67%	0.665	S	S	*	*	H	α-helix	trans	-78.1	-17.7	-178.1	59.6	0	0	0	0	114.6	V429 E430	V429-S433 PolarHBondContact O-N 3.28Å; V429-S433 PolarHBondContact O-OG 3.22Å; E430-S433 WeakPolarHBondContact CA-OG 3.34Å; E430-S433 PolarHBondContact O-N 2.9Å; E430-S433 VanDerWaalsContact O-N 3.16Å; E430-S433 PolarHBondContact O-OG 3.07Å
434	T	36.6	Very low	36.8	Very low	101 Å²	101	129.1 Å²	129.1	62%	0.62	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-11.8	173.8	47.2	0	0	0	0	114.1	E430 N431	E430-T434 PolarHBondContact O-N 3.02Å; N431-T434 PolarHBondContact O-OG1 3.39Å
435	N	35.6	Very low	35.9	Very low	141 Å²	141	131.7 Å²	131.7	75%	0.754	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	14.5	-178	-78.2	-5.6	0	0	0	114.8
436	M	30.4	Very low	35.3	Very low	174 Å²	174	134.6 Å²	134.6	86%	0.857	71%	0.712	S	S	*	*			trans	-112.8	58.6	171.5	-75.3	-151.1	173.5	0	0	112.4
437	K	29.7	Very low	35.3	Very low	186 Å²	186	137 Å²	137	81%	0.809	73%	0.728	S	S	*	*	S	Bend	trans	-141.8	136.3	153.7	-67.5	-171.4	178.8	171.6	0	107.5
438	D	31.8	Very low	34.7	Very low	158 Å²	158	137.2 Å²	137.2	85%	0.845	74%	0.743	S	S	*	*			trans	93	62	172.9	-49.2	-23.4	0	0	0	116.8
439	E	30.9	Very low	33.7	Very low	196 Å²	196	139.7 Å²	139.7	92%	0.916	76%	0.76	S	S	*	*			trans	-101.8	90.8	151	-80.9	-172.7	164.1	0	0	109.2
440	Q	29.4	Very low	32.8	Very low	191 Å²	191	141.2 Å²	141.2	89%	0.893	78%	0.775	S	S	*	*			trans	-81.8	125.9	165.1	-102	177.9	-2.7	0	0	109.7	T442	Q440-T442 PolarHBondContact O-N 2.94Å
441	I	26.3	Very low	32	Very low	154 Å²	154	140.7 Å²	140.7	79%	0.79	79%	0.785	S	S	*	*			trans	-68.6	112.6	-179.8	-62.8	160.3	0	0	0	109.6
442	T	27.5	Very low	31.8	Very low	140 Å²	140	141.1 Å²	141.1	86%	0.859	79%	0.794	S	S	*	*			trans	-136.7	106.4	155.2	50.4	0	0	0	0	109.6	Q440	Q440-T442 PolarHBondContact O-N 2.94Å
443	T	22.6	Very low	31	Very low	118 Å²	118	139.4 Å²	139.4	72%	0.724	80%	0.797	S	S	*	*			trans	-71	129.4	169.7	45.7	0	0	0	0	110.5
444	E	30.4	Very low	30.1	Very low	187 Å²	187	141 Å²	141	87%	0.874	81%	0.808	S	S	*	*			trans	-170.2	114	141.7	-104.2	164.8	-153.2	0	0	111.1
445	T	24.8	Very low	29.7	Very low	121 Å²	121	141.5 Å²	141.5	74%	0.742	82%	0.816	S	S	*	*			trans	-28.7	141.2	152.9	30.5	0	0	0	0	114.1
446	D	32.9	Very low	29.3	Very low	150 Å²	150	144.1 Å²	144.1	80%	0.802	82%	0.82	S	S	*	*				-173.1	173.2	50.7	-113.7	-12.9	0	0	0	111.1
447	P	41.2	Very low	29	Very low	115 Å²	115	146 Å²	146	75%	0.747	82%	0.824	S	S	*	*			trans	-101.2	149.8	-153.5	38.2	-34.7	0	0	0	115.5
448	S	30.4	Very low	28.9	Very low	120 Å²	120	141.3 Å²	141.3	84%	0.839	82%	0.82	S	S	*	*			trans	-146.7	122.7	151.7	65.4	0	0	0	0	111.4
449	S	25.1	Very low	28.5	Very low	117 Å²	117	138.9 Å²	138.9	82%	0.818	82%	0.815	S	S	*	*			trans	-55.7	137.9	179.1	52.5	0	0	0	0	115.9
450	S	29.8	Very low	28.3	Very low	122 Å²	122	136.9 Å²	136.9	85%	0.853	81%	0.809	S	S	*	*				-172.8	118.3	126.6	45.6	0	0	0	0	111.4
451	S	25	Very low	28.2	Very low	116 Å²	116	132.6 Å²	132.6	81%	0.811	80%	0.798	S	S	*	*			trans	-96.4	177.6	153.9	-39.1	0	0	0	0	107.4
452	P	40.6	Very low	28.3	Very low	121 Å²	121	134.8 Å²	134.8	79%	0.786	80%	0.802	S	S	*	*			cis	-133.4	168.2	-15.3	36.8	-19.7	0	0	0	112.7
453	S	25.7	Very low	28.6	Very low	116 Å²	116	134.6 Å²	134.6	81%	0.811	80%	0.796	S	S	*	*			trans	-160.9	136.7	134.3	54.7	0	0	0	0	111.5	S455	S453-S455 PolarHBondContact O-N 3.48Å
454	S	26.3	Very low	29.2	Very low	117 Å²	117	135.9 Å²	135.9	82%	0.818	80%	0.798	S	S	*	*			trans	-56.3	104.5	-176.3	51.8	0	0	0	0	113.2	K456	S454-K456 PolarHBondContact O-N 3.04Å
455	S	26.8	Very low	30.1	Very low	112 Å²	112	130 Å²	130	78%	0.783	78%	0.775	S	S	*	*			trans	-74.8	108.4	163.6	56.5	0	0	0	0	108.6	S453 F457	S453-S455 PolarHBondContact O-N 3.48Å; S455-F457 PolarHBondContact O-N 2.57Å
456	K	27.2	Very low	32	Very low	196 Å²	196	128.1 Å²	128.1	85%	0.852	76%	0.76	S	S	*	*			trans	-36.2	126	167.1	-75.3	168.3	173.5	173.2	0	109.9	S454 A458	S454-K456 PolarHBondContact O-N 3.04Å; K456-A458 PolarHBondContact O-N 2.99Å
457	F	24.4	Very low	33.5	Very low	214 Å²	214	121.4 Å²	121.4	94%	0.939	72%	0.724	S	S	*	*			trans	-55.6	90	160.5	-95.6	-95.5	0	0	0	107.5	S455 S459	S455-F457 PolarHBondContact O-N 2.57Å; F457-S459 VanDerWaalsContact C-N 3.28Å; F457-S459 PolarHBondContact O-N 3.2Å
458	A	26.9	Very low	35.4	Very low	86 Å²	86	117.6 Å²	117.6	71%	0.711	70%	0.698	S	S	*	*			trans	-66.6	99.6	161.4	0	0	0	0	0	104.6	K456 I460	K456-A458 PolarHBondContact O-N 2.99Å; A458-I460 PolarHBondContact O-N 3.23Å
459	S	24.8	Very low	38.3	Very low	108 Å²	108	112.1 Å²	112.1	76%	0.755	66%	0.659	S	S	*	*			trans	-49.9	107.3	168.6	48.7	0	0	0	0	107.5	F457 P461	F457-S459 VanDerWaalsContact C-N 3.28Å; F457-S459 PolarHBondContact O-N 3.2Å; S459-P461 VanDerWaalsContact O-N 3.09Å
460	I	26	Very low	41.6	Very low	154 Å²	154	108.1 Å²	108.1	79%	0.79	63%	0.628	S	S	*	*			trans	-51.1	119.1	170.9	-61.8	166.9	0	0	0	105.3	A458 K462	A458-I460 PolarHBondContact O-N 3.23Å; I460-K462 PolarHBondContact O-N 3.05Å; I460-K462 VanDerWaalsContact O-N 3.11Å
461	P	28.4	Very low	44.8	Very low	101 Å²	101	102.3 Å²	102.3	66%	0.656	59%	0.587	S	S	*	*			trans	-58.9	125.2	-178.2	23.8	-30.2	0	0	0	106.6	S459 N463	S459-P461 VanDerWaalsContact O-N 3.09Å; P461-N463 VanDerWaalsContact C-N 3.32Å; P461-N463 PolarHBondContact O-N 2.86Å
462	K	28.4	Very low	48.2	Very low	200 Å²	200	99.5 Å²	99.5	87%	0.87	56%	0.559	S	S	*	*			trans	-54.2	102	173.1	-72.9	179.5	176	-179.6	0	106.7	I460 N464	I460-K462 PolarHBondContact O-N 3.05Å; I460-K462 VanDerWaalsContact O-N 3.11Å; K462-N464 VanDerWaalsContact C-N 3.28Å; K462-N464 PolarHBondContact O-N 3.45Å
463	N	31.9	Very low	50.8	Low	136 Å²	136	93.9 Å²	93.9	73%	0.727	52%	0.523	S	S	*	.			trans	-59.6	99.7	170.1	-96.6	-10.9	0	0	0	105.8	P461 T465	P461-N463 VanDerWaalsContact C-N 3.32Å; P461-N463 PolarHBondContact O-N 2.86Å; N463-T465 HydrophobicContact CB-CG2 4.22Å; N463-T465 PolarHBondContact O-N 3.42Å
464	N	36.7	Very low	54.1	Low	144 Å²	144	90 Å²	90	77%	0.77	50%	0.495	S	S	*	.			trans	-74.8	62	178.2	-143	17.6	0	0	0	107.4	K462 D466	K462-N464 VanDerWaalsContact C-N 3.28Å; K462-N464 PolarHBondContact O-N 3.45Å; N464-D466 PolarHBondContact O-N 2.9Å
465	T	48.5	Very low	57.4	Low	64 Å²	64	87.9 Å²	87.9	39%	0.393	48%	0.475	S	S	.	.			trans	-76	68.8	176.2	53.1	0	0	0	0	108	N463 D467	N463-T465 HydrophobicContact CB-CG2 4.22Å; N463-T465 PolarHBondContact O-N 3.42Å; T465-D467 PolarHBondContact O-N 2.93Å
466	D	65.4	Low	60.6	Low	82 Å²	82	85.4 Å²	85.4	44%	0.439	47%	0.468	S	S	.	.			trans	-76.3	44.3	177.5	-171.2	47.3	0	0	0	110.2	N464 K482	N464-D466 PolarHBondContact O-N 2.9Å; D466-K482 WeakPolarHBondContact O-CE 3.02Å; D466-K482 WeakPolarHBondContact O-CG 3.31Å; D466-K482 PolarHBondContact O-NZ 3.19Å; D466-K482 IonicContact OD2-NZ 3.47Å; D466-K482 PolarHBondContact OD2-NZ 3.21Å
467	D	63.1	Low	63.8	Low	8 Å²	8	81.6 Å²	81.6	4%	0.043	45%	0.448	C	S	.	.			trans	-95.6	124.5	171.8	-66.3	-23.5	0	0	0	108.1	R6 I418 T465 R480	R6-D467 WeakPolarHBondContact CD-OD2 3.44Å; R6-D467 IonicContact CZ-OD1 3.07Å; R6-D467 IonicContact CZ-OD2 3.52Å; R6-D467 VanDerWaalsContact NE-CG 3.26Å; R6-D467 IonicContact NE-OD1 2.7Å; R6-D467 PolarHBondContact NE-OD1 3.34Å; R6-D467 IonicContact NE-OD2 2.85Å; R6-D467 PolarHBondContact NE-OD2 3.36Å; R6-D467 IonicContact NH2-OD1 3.07Å; R6-D467 PolarHBondContact NH2-OD1 3.49Å; R6-D467 IonicContact NH2-OD2 3.3Å; I418-D467 HydrophobicContact CD1-CB 4.49Å; T465-D467 PolarHBondContact O-N 2.93Å; D467-R480 HydrophobicContact CB-CB 4.48Å
468	D	81.8	Confident	67.2	Low	35 Å²	35	77.9 Å²	77.9	19%	0.187	43%	0.431	C	S	.	.			trans	-86.8	-23.6	-176.3	-75.8	-42.8	0	0	0	112.7	Y417 I418 T481 N644	Y417-D468 WeakPolarHBondContact CA-O 3.17Å; Y417-D468 HydrophobicContact CD2-CB 4.4Å; Y417-D468 WeakPolarHBondContact CD2-O 3.24Å; Y417-D468 HydrophobicContact CE2-CB 3.86Å; Y417-D468 PolarHBondContact OH-OD1 3.08Å; I418-D468 PolarHBondContact N-O 3.23Å; D468-T481 PolarHBondContact N-O 3Å; D468-N644 PolarHBondContact OD2-ND2 3.14Å
469	F	91.7	Very high	70.5	Confident	5 Å²	5	73.9 Å²	73.9	2%	0.022	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.9	-169.2	-52.8	-77.4	0	0	0	115.1	I415 Q416 Y417 R480 T481 K482 N644 I645	I415-F469 HydrophobicContact CG2-CB 4.14Å; I415-F469 HydrophobicContact CG2-CD1 3.67Å; I415-F469 HydrophobicContact CG2-CE1 4.45Å; I415-F469 HydrophobicContact CG2-CG 4.11Å; Q416-F469 CarbonylContact O-C 3.58Å; Q416-F469 VanDerWaalsContact O-CA 3.28Å; Q416-F469 WeakPolarHBondContact O-CA 3.39Å; Y417-F469 HydrophobicContact CD2-CD1 4.08Å; Y417-F469 AromaticContact CD2-CE1 3.66Å; Y417-F469 HydrophobicContact CD2-CE1 3.66Å; Y417-F469 HydrophobicContact CD2-CZ 4.18Å; Y417-F469 HydrophobicContact CE2-CE1 4.36Å; Y417-F469 HydrophobicContact CE2-CZ 4.44Å; F469-R480 WeakPolarHBondContact O-CA 3.42Å; F469-T481 HydrophobicContact CB-CG2 4.12Å; F469-T481 PolarHBondContact N-O 3.4Å; F469-T481 PolarHBondContact O-N 2.97Å; F469-K482 WeakPolarHBondContact CE2-O 3.36Å; F469-N644 HydrophobicContact CE2-CB 3.97Å; F469-I645 HydrophobicContact CE1-CD1 3.98Å; F469-I645 HydrophobicContact CE1-CG1 4.11Å; F469-I645 HydrophobicContact CZ-CD1 4.35Å; F469-I645 HydrophobicContact CZ-CG1 4Å
470	I	94.7	Very high	73.9	Confident	34 Å²	34	74.1 Å²	74.1	17%	0.174	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.2	157.4	-52.5	-179.3	0	0	0	108.4	Q416 I418 Y472 K478 I479	Q416-I470 PolarHBondContact N-O 3Å; Q416-I470 PolarHBondContact O-N 2.89Å; I418-I470 HydrophobicContact CD1-CD1 4.13Å; I418-I470 HydrophobicContact CD1-CG1 3.54Å; I418-I470 HydrophobicContact CG1-CD1 4.2Å; I418-I470 HydrophobicContact CG1-CG1 3.73Å; I470-Y472 HydrophobicContact CB-CE2 4.09Å; I470-Y472 HydrophobicContact CG2-CD2 4.26Å; I470-Y472 HydrophobicContact CG2-CE2 3.69Å; I470-K478 HydrophobicContact CG2-CB 4.16Å; I470-I479 WeakPolarHBondContact CA-O 3.42Å
471	V	95.7	Very high	77.2	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.8	176.3	-174.5	0	0	0	0	109.5	V10 V412 L473 K478 I479 T481 V484	V10-V471 HydrophobicContact CB-CG2 4.47Å; V10-V471 HydrophobicContact CG1-CG1 4.32Å; V10-V471 HydrophobicContact CG2-CB 4.5Å; V10-V471 HydrophobicContact CG2-CG2 4.2Å; V412-V471 HydrophobicContact CB-CG1 4.33Å; V412-V471 HydrophobicContact CG1-CG1 3.81Å; V412-V471 HydrophobicContact CG2-CG1 3.69Å; V471-L473 HydrophobicContact CG1-CD2 3.92Å; V471-K478 CarbonylContact O-C 3.54Å; V471-K478 WeakPolarHBondContact O-CA 3.37Å; V471-I479 PolarHBondContact N-O 2.94Å; V471-I479 PolarHBondContact O-N 3.02Å; V471-T481 HydrophobicContact CG2-CG2 3.8Å; V471-V484 HydrophobicContact CG2-CG2 3.72Å
472	Y	96.4	Very high	80.2	Confident	56 Å²	56	62.5 Å²	62.5	22%	0.22	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123.7	178.3	-61.8	-103.4	0	0	0	109.2	K413 K414 Q416 I470 K478	K413-Y472 PolarHBondContact N-O 3.19Å; K414-Y472 HydrophobicContact CB-CD2 4.08Å; K414-Y472 HydrophobicContact CB-CG 4.35Å; K414-Y472 HydrophobicContact CD-CD2 4.09Å; K414-Y472 HydrophobicContact CD-CE2 4.28Å; K414-Y472 HydrophobicContact CG-CD2 3.88Å; K414-Y472 HydrophobicContact CG-CE2 4.38Å; K414-Y472 PolarHBondContact N-O 3.3Å; K414-Y472 PolarHBondContact O-N 3.03Å; Q416-Y472 HydrophobicContact CB-CE2 3.95Å; Q416-Y472 PolarHBondContact OE1-OH 3.16Å; I470-Y472 HydrophobicContact CB-CE2 4.09Å; I470-Y472 HydrophobicContact CG2-CD2 4.26Å; I470-Y472 HydrophobicContact CG2-CE2 3.69Å; Y472-K478 HydrophobicContact CD1-CD 4.15Å; Y472-K478 HydrophobicContact CD1-CG 3.79Å; Y472-K478 HydrophobicContact CE1-CD 3.69Å; Y472-K478 HydrophobicContact CE1-CG 3.85Å
473	L	96.7	Very high	83.3	Confident	3 Å²	3	53 Å²	53	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	161.1	-175	-57.2	-173.8	0	0	0	112.4	F3 L33 I35 K411 V412 V471 N475 G476 R477 I479	F3-L473 HydrophobicContact CD1-CD1 3.76Å; F3-L473 HydrophobicContact CE1-CD1 3.53Å; L33-L473 HydrophobicContact CD2-CD1 3.85Å; I35-L473 HydrophobicContact CD1-CD2 3.66Å; K411-L473 CarbonylContact O-C 3.6Å; K411-L473 WeakPolarHBondContact O-CA 3.41Å; V412-L473 HydrophobicContact CG2-CD2 4.35Å; V471-L473 HydrophobicContact CG1-CD2 3.92Å; L473-N475 VanDerWaalsContact CB-OD1 3.28Å; L473-N475 WeakPolarHBondContact CB-OD1 3.49Å; L473-N475 PolarHBondContact O-N 2.8Å; L473-G476 PolarHBondContact O-N 3.01Å; L473-G476 VanDerWaalsContact O-N 3.08Å; L473-R477 HydrophobicContact CD1-CB 4.21Å; L473-R477 PolarHBondContact N-O 2.67Å; L473-I479 HydrophobicContact CD1-CD1 4.2Å; L473-I479 HydrophobicContact CD1-CG1 3.83Å; L473-I479 HydrophobicContact CG-CG1 4.14Å
474	S	95.2	Very high	86.3	Confident	34 Å²	34	46.5 Å²	46.5	24%	0.238	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.1	179.2	59.9	0	0	0	0	113.8	C410 K411 K413 G476	C410-S474 WeakPolarHBondContact CA-OG 3.36Å; K411-S474 PolarHBondContact N-OG 3.23Å; K411-S474 PolarHBondContact O-N 3.04Å; K413-S474 PolarHBondContact NZ-O 2.75Å; S474-G476 VanDerWaalsContact C-N 3.25Å; S474-G476 PolarHBondContact O-N 3.45Å
475	N	93.8	Very high	89.1	Confident	73 Å²	73	39.6 Å²	39.6	39%	0.39	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	3.6	176.5	69.8	5.1	0	0	0	114.5	F3 L473 R477	F3-N475 VanDerWaalsContact CE2-ND2 3.26Å; F3-N475 WeakPolarHBondContact CE2-ND2 3.48Å; F3-N475 WeakPolarHBondContact CZ-ND2 3.28Å; L473-N475 VanDerWaalsContact CB-OD1 3.28Å; L473-N475 WeakPolarHBondContact CB-OD1 3.49Å; L473-N475 PolarHBondContact O-N 2.8Å; N475-R477 WeakPolarHBondContact OD1-CB 3.48Å; N475-R477 WeakPolarHBondContact OD1-CG 3.38Å; N475-R477 PolarHBondContact OD1-N 3.13Å
476	G	93.8	Very high	91.3	Very high	61 Å²	61	36.6 Å²	36.6	63%	0.629	18%	0.184	S	C	*	.	S	Bend	trans	88.6	-3.2	177.2	0	0	0	0	0	115.4	L473 S474	L473-G476 PolarHBondContact O-N 3.01Å; L473-G476 VanDerWaalsContact O-N 3.08Å; S474-G476 VanDerWaalsContact C-N 3.25Å; S474-G476 PolarHBondContact O-N 3.45Å
477	R	95.6	Very high	92.6	Very high	116 Å²	116	32.9 Å²	32.9	44%	0.438	17%	0.165	S	C	.	.			trans	-74.2	153.4	175.7	-63.2	-69	-173.1	166.5	4.1	111.7	F3 L473 N475 I479	F3-R477 HydrophobicContact CB-CB 4.46Å; F3-R477 HydrophobicContact CB-CG 4.03Å; F3-R477 HydrophobicContact CD1-CG 4.49Å; F3-R477 HydrophobicContact CD2-CG 4.18Å; F3-R477 HydrophobicContact CG-CB 4.46Å; F3-R477 HydrophobicContact CG-CG 3.98Å; L473-R477 HydrophobicContact CD1-CB 4.21Å; L473-R477 PolarHBondContact N-O 2.67Å; N475-R477 WeakPolarHBondContact OD1-CB 3.48Å; N475-R477 WeakPolarHBondContact OD1-CG 3.38Å; N475-R477 PolarHBondContact OD1-N 3.13Å; R477-I479 HydrophobicContact CB-CD1 4.31Å
478	K	95.8	Very high	94	Very high	136 Å²	136	32.5 Å²	32.5	59%	0.591	16%	0.163	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.3	175	-56.7	179	-169	173.3	0	108	I470 V471 Y472	I470-K478 HydrophobicContact CG2-CB 4.16Å; V471-K478 CarbonylContact O-C 3.54Å; V471-K478 WeakPolarHBondContact O-CA 3.37Å; Y472-K478 HydrophobicContact CD1-CD 4.15Å; Y472-K478 HydrophobicContact CD1-CG 3.79Å; Y472-K478 HydrophobicContact CE1-CD 3.69Å; Y472-K478 HydrophobicContact CE1-CG 3.85Å
479	I	96.5	Very high	94.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.2	-174.2	-45.1	-65.9	0	0	0	108.3	F3 P4 V7 V10 L33 I470 V471 L473 R477	F3-I479 HydrophobicContact CB-CD1 4.15Å; F3-I479 HydrophobicContact CD1-CD1 4.06Å; P4-I479 WeakPolarHBondContact O-CD1 3.41Å; V7-I479 HydrophobicContact CG1-CG2 4.46Å; V7-I479 HydrophobicContact CG2-CG2 3.72Å; V10-I479 HydrophobicContact CG2-CB 4.48Å; V10-I479 HydrophobicContact CG2-CG2 4.06Å; L33-I479 HydrophobicContact CD2-CB 4.47Å; L33-I479 HydrophobicContact CD2-CD1 4.04Å; L33-I479 HydrophobicContact CD2-CG1 3.71Å; L33-I479 HydrophobicContact CD2-CG2 4.25Å; I470-I479 WeakPolarHBondContact CA-O 3.42Å; V471-I479 PolarHBondContact N-O 2.94Å; V471-I479 PolarHBondContact O-N 3.02Å; L473-I479 HydrophobicContact CD1-CD1 4.2Å; L473-I479 HydrophobicContact CD1-CG1 3.83Å; L473-I479 HydrophobicContact CG-CG1 4.14Å; R477-I479 HydrophobicContact CB-CD1 4.31Å
480	R	95.9	Very high	94.3	Very high	113 Å²	113	31.6 Å²	31.6	43%	0.426	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	137.1	171.4	-64.1	-173.5	-175.1	-166.3	2.9	110	E5 R6 V7 D467 F469	E5-R480 PolarHBondContact O-N 3.27Å; R6-R480 CarbonylContact C-O 3.4Å; R6-R480 VanDerWaalsContact CA-O 3.27Å; R6-R480 WeakPolarHBondContact CA-O 3.44Å; R6-R480 HydrophobicContact CB-CB 4.34Å; R6-R480 HydrophobicContact CG-CB 4.23Å; V7-R480 PolarHBondContact N-O 3.23Å; D467-R480 HydrophobicContact CB-CB 4.48Å; F469-R480 WeakPolarHBondContact O-CA 3.42Å
481	T	95.1	Very high	94	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	161.7	-179.5	-164.4	0	0	0	0	113.1	V7 D8 C9 V10 D468 F469 V471 C483 V484	V7-T481 VanDerWaalsContact O-CA 3.29Å; V7-T481 WeakPolarHBondContact O-CA 3.33Å; V7-T481 WeakPolarHBondContact O-CB 3.49Å; V7-T481 PolarHBondContact O-OG1 3.42Å; D8-T481 PolarHBondContact O-OG1 3.31Å; D8-T481 VanDerWaalsContact O-OG1 3.12Å; C9-T481 WeakPolarHBondContact CA-OG1 3.29Å; C9-T481 PolarHBondContact N-OG1 2.82Å; V10-T481 HydrophobicContact CB-CG2 4.47Å; V10-T481 HydrophobicContact CG2-CG2 3.9Å; D468-T481 PolarHBondContact N-O 3Å; F469-T481 HydrophobicContact CB-CG2 4.12Å; F469-T481 PolarHBondContact N-O 3.4Å; F469-T481 PolarHBondContact O-N 2.97Å; V471-T481 HydrophobicContact CG2-CG2 3.8Å; T481-C483 WeakPolarHBondContact CG2-O 3.2Å; T481-C483 PolarHBondContact OG1-O 2.83Å; T481-V484 HydrophobicContact CG2-CG2 3.9Å
482	K	91.5	Very high	93.5	Very high	11 Å²	11	30.5 Å²	30.5	5%	0.048	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-31.1	175	-62.7	-169	173.4	-134.5	0	112.9	D466 F469 N644 L706	D466-K482 WeakPolarHBondContact O-CE 3.02Å; D466-K482 WeakPolarHBondContact O-CG 3.31Å; D466-K482 PolarHBondContact O-NZ 3.19Å; D466-K482 IonicContact OD2-NZ 3.47Å; D466-K482 PolarHBondContact OD2-NZ 3.21Å; F469-K482 WeakPolarHBondContact CE2-O 3.36Å; K482-N644 WeakPolarHBondContact O-CB 3.36Å; K482-N644 PolarHBondContact O-ND2 3.08Å; K482-L706 HydrophobicContact CB-CD2 4.23Å; K482-L706 HydrophobicContact CD-CD2 3.88Å
483	C	93.2	Very high	93	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153.6	-179.9	59.1	0	0	0	0	113.1	D8 C9 V10 T481 N644 F646	D8-C483 PolarHBondContact O-N 2.65Å; D8-C483 PolarHBondContact O-SG 3.27Å; D8-C483 VanDerWaalsContact O-SG 3.35Å; C9-C483 WeakPolarHBondContact CA-O 2.99Å; C9-C483 VanDerWaalsContact CA-SG 3.57Å; C9-C483 WeakPolarHBondContact CB-SG 3.37Å; C9-C483 VanDerWaalsContact SG-C 3.55Å; C9-C483 WeakPolarHBondContact SG-CB 3.4Å; C9-C483 PolarHBondContact SG-O 3.07Å; C9-C483 VanDerWaalsContact SG-O 3.41Å; C9-C483 CovalentContact SG-SG 2.06Å; C9-C483 PolarHBondContact SG-SG 2.98Å; V10-C483 PolarHBondContact N-O 3.06Å; T481-C483 WeakPolarHBondContact CG2-O 3.2Å; T481-C483 PolarHBondContact OG1-O 2.83Å; C483-N644 VanDerWaalsContact CA-O 3.25Å; C483-N644 WeakPolarHBondContact CA-O 3.44Å; C483-N644 HydrophobicContact CB-CB 4Å; C483-N644 WeakPolarHBondContact CB-O 3.31Å; C483-F646 HydrophobicContact CB-CE2 4.47Å
484	V	95.2	Very high	92.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.1	173.2	-172.6	0	0	0	0	109.2	V10 I415 V471 T481 L486 N644 I645 F646	V10-V484 CarbonylContact O-C 3.57Å; V10-V484 VanDerWaalsContact O-CA 3.26Å; V10-V484 WeakPolarHBondContact O-CA 3.33Å; I415-V484 HydrophobicContact CD1-CB 4.21Å; I415-V484 HydrophobicContact CD1-CG1 3.81Å; I415-V484 HydrophobicContact CD1-CG2 4.22Å; I415-V484 HydrophobicContact CG2-CG2 4.42Å; V471-V484 HydrophobicContact CG2-CG2 3.72Å; T481-V484 HydrophobicContact CG2-CG2 3.9Å; V484-L486 HydrophobicContact CG1-CD2 3.81Å; V484-L486 HydrophobicContact CG1-CG 4.17Å; V484-N644 PolarHBondContact N-O 2.95Å; V484-I645 HydrophobicContact CB-CG1 4.32Å; V484-I645 HydrophobicContact CB-CG2 4.44Å; V484-I645 CarbonylContact O-C 3.58Å; V484-I645 VanDerWaalsContact O-CA 3.27Å; V484-I645 WeakPolarHBondContact O-CA 3.38Å; V484-F646 PolarHBondContact O-N 2.98Å
485	I	96.2	Very high	92	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.6	170.2	-52.4	-178.5	0	0	0	107.8	V10 I11 D12 I21 F646 T648 I698 I702	V10-I485 PolarHBondContact O-N 2.96Å; I11-I485 CarbonylContact C-O 3.48Å; I11-I485 WeakPolarHBondContact CA-O 3.23Å; I11-I485 HydrophobicContact CB-CB 4.38Å; I11-I485 HydrophobicContact CD1-CD1 3.94Å; I11-I485 HydrophobicContact CG1-CB 4.09Å; I11-I485 HydrophobicContact CG1-CD1 3.93Å; I11-I485 HydrophobicContact CG1-CG1 4.18Å; I11-I485 HydrophobicContact CG2-CB 4.15Å; I11-I485 HydrophobicContact CG2-CG2 4.38Å; D12-I485 PolarHBondContact N-O 3.36Å; I21-I485 HydrophobicContact CB-CD1 4.41Å; I21-I485 HydrophobicContact CD1-CD1 4.33Å; I21-I485 HydrophobicContact CG2-CD1 3.6Å; I485-F646 CarbonylContact C-O 3.52Å; I485-F646 WeakPolarHBondContact CA-O 3.49Å; I485-T648 HydrophobicContact CG2-CG2 3.65Å; I485-I698 HydrophobicContact CD1-CG2 4.2Å; I485-I702 HydrophobicContact CD1-CD1 3.45Å; I485-I702 VanDerWaalsContact CD1-CD1 3.45Å; I485-I702 HydrophobicContact CG1-CD1 3.88Å
486	L	94.9	Very high	91.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.1	177.5	-57.3	176.7	0	0	0	109.4	D12 L78 V412 I415 V484 C490 L491 I645 F646 I647 T648	D12-L486 HydrophobicContact CB-CD2 3.9Å; L78-L486 HydrophobicContact CD1-CD1 4.2Å; V412-L486 HydrophobicContact CG2-CD2 4.43Å; I415-L486 HydrophobicContact CD1-CD1 4.34Å; V484-L486 HydrophobicContact CG1-CD2 3.81Å; V484-L486 HydrophobicContact CG1-CG 4.17Å; L486-C490 HydrophobicContact CB-CB 4.43Å; L486-L491 HydrophobicContact CD1-CD2 4.1Å; L486-I645 HydrophobicContact CD1-CG2 4.11Å; L486-I645 HydrophobicContact CG-CG2 4.46Å; L486-F646 PolarHBondContact N-O 3.37Å; L486-I647 VanDerWaalsContact O-CA 3.29Å; L486-I647 WeakPolarHBondContact O-CA 3.2Å; L486-T648 PolarHBondContact O-N 3.15Å; L486-T648 PolarHBondContact O-OG1 3.48Å
487	C	92.9	Very high	91.5	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.034	14%	0.135	C	C	.	.			trans	-77.4	159.2	167.5	75.8	0	0	0	0	111.4	D12 E18 E489 C490	D12-C487 PolarHBondContact O-N 3.14Å; E18-C487 HydrophobicContact CG-CB 4.24Å; E18-C487 WeakPolarHBondContact OE1-CB 3.22Å; C487-E489 WeakPolarHBondContact CB-OE2 3.39Å; C487-E489 PolarHBondContact O-N 2.56Å; C487-E489 PolarHBondContact SG-OE2 2.93Å; C487-C490 WeakPolarHBondContact O-CA 3.45Å; C487-C490 VanDerWaalsContact O-CB 3.29Å; C487-C490 WeakPolarHBondContact O-CB 3.47Å; C487-C490 PolarHBondContact O-N 2.91Å; C487-C490 PolarHBondContact SG-SG 3.49Å
488	P	90.5	Very high	91.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-58.5	-33.6	179.6	-26.6	36.4	0	0	0	113.9	C490 L491 L624 V627 I647 T648	P488-C490 PolarHBondContact O-N 3.29Å; P488-C490 VanDerWaalsContact O-N 3.16Å; P488-L491 WeakPolarHBondContact O-CB 3.27Å; P488-L491 PolarHBondContact O-N 3.33Å; P488-L624 HydrophobicContact CB-CD1 4.26Å; P488-L624 HydrophobicContact CB-CD2 4.19Å; P488-L624 HydrophobicContact CG-CB 4.43Å; P488-V627 HydrophobicContact CB-CB 4.47Å; P488-V627 HydrophobicContact CB-CG1 4.25Å; P488-V627 HydrophobicContact CB-CG2 4.23Å; P488-V627 HydrophobicContact CG-CB 4.23Å; P488-V627 HydrophobicContact CG-CG1 4.2Å; P488-V627 HydrophobicContact CG-CG2 4.4Å; P488-I647 HydrophobicContact CG-CG2 4.42Å; P488-T648 VanDerWaalsContact CD-O 3.26Å; P488-T648 WeakPolarHBondContact CD-O 3.49Å; P488-T648 VanDerWaalsContact CG-O 3.22Å; P488-T648 WeakPolarHBondContact CG-O 2.99Å
489	E	90.2	Very high	90.8	Very high	20 Å²	20	26.8 Å²	26.8	9%	0.093	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-60.4	-23.6	174.9	-60.1	84.6	162	0	0	112	R37 V44 L85 C487 L491	R37-E489 VanDerWaalsContact CZ-O 3.24Å; R37-E489 PolarHBondContact NH1-O 2.84Å; V44-E489 HydrophobicContact CG1-CG 4.41Å; L85-E489 HydrophobicContact CD1-CB 4.41Å; L85-E489 HydrophobicContact CD1-CG 3.8Å; C487-E489 WeakPolarHBondContact CB-OE2 3.39Å; C487-E489 PolarHBondContact O-N 2.56Å; C487-E489 PolarHBondContact SG-OE2 2.93Å; E489-L491 PolarHBondContact O-N 2.92Å
490	C	90	Very high	90.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-75.7	-15	178	-71.3	0	0	0	0	114.1	D12 R37 L486 C487 P488	D12-C490 PolarHBondContact O-SG 2.95Å; D12-C490 PolarHBondContact OD1-SG 3.09Å; D12-C490 VanDerWaalsContact OD1-SG 3.36Å; R37-C490 PolarHBondContact NH2-O 3.29Å; L486-C490 HydrophobicContact CB-CB 4.43Å; C487-C490 WeakPolarHBondContact O-CA 3.45Å; C487-C490 VanDerWaalsContact O-CB 3.29Å; C487-C490 WeakPolarHBondContact O-CB 3.47Å; C487-C490 PolarHBondContact O-N 2.91Å; C487-C490 PolarHBondContact SG-SG 3.49Å; P488-C490 PolarHBondContact O-N 3.29Å; P488-C490 VanDerWaalsContact O-N 3.16Å
491	L	88.6	Confident	90.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-93.4	157.2	-175.7	-55	176.9	0	0	0	111.5	S83 L486 P488 E489 Y493 W495 I496 L634 I647	S83-L491 PolarHBondContact OG-O 3.27Å; L486-L491 HydrophobicContact CD1-CD2 4.1Å; P488-L491 WeakPolarHBondContact O-CB 3.27Å; P488-L491 PolarHBondContact O-N 3.33Å; E489-L491 PolarHBondContact O-N 2.92Å; L491-Y493 PolarHBondContact O-N 3.31Å; L491-W495 HydrophobicContact CD2-CE3 4.27Å; L491-W495 HydrophobicContact CD2-CZ3 4.38Å; L491-I496 HydrophobicContact CB-CG2 4.12Å; L491-I496 HydrophobicContact CD1-CG2 3.93Å; L491-L634 HydrophobicContact CD1-CD1 3.83Å; L491-I647 HydrophobicContact CD1-CD1 3.63Å; L491-I647 HydrophobicContact CD1-CG1 4.05Å; L491-I647 HydrophobicContact CD1-CG2 4.04Å
492	P	85.9	Confident	90.1	Very high	10 Å²	10	29.2 Å²	29.2	7%	0.065	15%	0.152	C	C	.	.			trans	-66.1	137.1	171.6	0.8	10.4	0	0	0	109.5	P69 I81 S494 W495	P69-P492 HydrophobicContact CB-CG 4.19Å; P69-P492 HydrophobicContact CG-CB 4.35Å; P69-P492 HydrophobicContact CG-CG 3.49Å; P69-P492 VanDerWaalsContact CG-CG 3.49Å; I81-P492 HydrophobicContact CD1-CB 4.27Å; I81-P492 HydrophobicContact CD1-CG 3.64Å; I81-P492 HydrophobicContact CG1-CB 4.38Å; I81-P492 HydrophobicContact CG1-CG 4.21Å; P492-S494 PolarHBondContact O-N 2.95Å; P492-S494 VanDerWaalsContact O-N 3.08Å; P492-W495 HydrophobicContact CB-CG 4.46Å; P492-W495 HydrophobicContact CG-CD2 3.67Å; P492-W495 HydrophobicContact CG-CE3 4.15Å; P492-W495 HydrophobicContact CG-CG 3.91Å; P492-W495 HydrophobicContact CG-CZ2 4.24Å; P492-W495 WeakPolarHBondContact O-CB 3.44Å; P492-W495 PolarHBondContact O-N 3.02Å
493	Y	86.5	Confident	90.2	Very high	95 Å²	95	29 Å²	29	37%	0.373	15%	0.15	S	C	.	.	H	α-helix	trans	-51.4	-39.1	-179.5	-177.1	-102.6	0	0	0	113.1	S83 L85 L491 W495 I496 S497 I500 W503	S83-Y493 PolarHBondContact OG-N 2.95Å; L85-Y493 HydrophobicContact CD2-CD2 3.82Å; L85-Y493 HydrophobicContact CD2-CE2 4.45Å; L491-Y493 PolarHBondContact O-N 3.31Å; Y493-W495 PolarHBondContact O-N 3.32Å; Y493-I496 HydrophobicContact CD2-CG1 4.5Å; Y493-I496 WeakPolarHBondContact O-CG1 3.46Å; Y493-I496 PolarHBondContact O-N 3Å; Y493-I496 VanDerWaalsContact O-N 3.1Å; Y493-S497 WeakPolarHBondContact O-CB 3.33Å; Y493-S497 PolarHBondContact O-N 3.09Å; Y493-S497 PolarHBondContact O-OG 3.04Å; Y493-I500 HydrophobicContact CD2-CD1 4.48Å; Y493-I500 HydrophobicContact CE2-CD1 3.7Å; Y493-W503 HydrophobicContact CE2-CH2 4.41Å; Y493-W503 WeakPolarHBondContact OH-CZ2 3.21Å
494	S	84.7	Confident	90.3	Very high	68 Å²	68	29.1 Å²	29.1	48%	0.476	15%	0.151	S	C	.	.	H	α-helix	trans	-60.3	-15.6	177.4	59.4	0	0	0	0	115.5	P492	P492-S494 PolarHBondContact O-N 2.95Å; P492-S494 VanDerWaalsContact O-N 3.08Å
495	W	84.7	Confident	90.4	Very high	13 Å²	13	29.1 Å²	29.1	5%	0.049	15%	0.151	C	C	.	.	H	α-helix	trans	-89.2	-34.1	177.1	-67.2	8.4	0	0	0	111.3	P69 I71 L76 L491 P492 Y493 F499 L631 L634 K636	P69-W495 HydrophobicContact CB-CH2 4.37Å; P69-W495 HydrophobicContact CB-CZ2 3.84Å; P69-W495 VanDerWaalsContact CG-CE2 3.49Å; P69-W495 HydrophobicContact CG-CH2 4.14Å; P69-W495 HydrophobicContact CG-CZ2 3.2Å; I71-W495 HydrophobicContact CD1-CH2 4.05Å; I71-W495 HydrophobicContact CD1-CZ2 4.15Å; I71-W495 HydrophobicContact CG1-CH2 4.48Å; L76-W495 HydrophobicContact CD1-CH2 3.62Å; L76-W495 HydrophobicContact CD1-CZ3 4.26Å; L491-W495 HydrophobicContact CD2-CE3 4.27Å; L491-W495 HydrophobicContact CD2-CZ3 4.38Å; P492-W495 HydrophobicContact CB-CG 4.46Å; P492-W495 HydrophobicContact CG-CD2 3.67Å; P492-W495 HydrophobicContact CG-CE3 4.15Å; P492-W495 HydrophobicContact CG-CG 3.91Å; P492-W495 HydrophobicContact CG-CZ2 4.24Å; P492-W495 WeakPolarHBondContact O-CB 3.44Å; P492-W495 PolarHBondContact O-N 3.02Å; Y493-W495 PolarHBondContact O-N 3.32Å; W495-F499 WeakPolarHBondContact O-CD2 3.25Å; W495-F499 WeakPolarHBondContact O-CE2 3.39Å; W495-L631 HydrophobicContact CZ3-CD2 4.45Å; W495-L634 HydrophobicContact CB-CD1 4.49Å; W495-L634 HydrophobicContact CE3-CD1 4.38Å; W495-L634 WeakPolarHBondContact O-CD2 3.19Å; W495-K636 HydrophobicContact CH2-CD 4.44Å; W495-K636 HydrophobicContact CZ2-CD 3.63Å; W495-K636 VanDerWaalsContact NE1-CE 3.27Å
496	I	87.8	Confident	90.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-98	-19.6	-174.6	61.1	169.9	0	0	0	112.5	L85 L491 Y493 D498 F499 I500 L624 V627	L85-I496 HydrophobicContact CD1-CD1 4.31Å; L85-I496 HydrophobicContact CD2-CD1 4.09Å; L491-I496 HydrophobicContact CB-CG2 4.12Å; L491-I496 HydrophobicContact CD1-CG2 3.93Å; Y493-I496 HydrophobicContact CD2-CG1 4.5Å; Y493-I496 WeakPolarHBondContact O-CG1 3.46Å; Y493-I496 PolarHBondContact O-N 3Å; Y493-I496 VanDerWaalsContact O-N 3.1Å; I496-D498 PolarHBondContact O-N 3.12Å; I496-D498 VanDerWaalsContact O-N 3.15Å; I496-F499 WeakPolarHBondContact O-CA 3.26Å; I496-F499 WeakPolarHBondContact O-CB 3.43Å; I496-F499 PolarHBondContact O-N 2.89Å; I496-I500 HydrophobicContact CG1-CD1 4.46Å; I496-I500 PolarHBondContact O-N 3.11Å; I496-L624 HydrophobicContact CD1-CD2 4.19Å; I496-V627 HydrophobicContact CB-CG2 4.18Å; I496-V627 HydrophobicContact CG2-CG1 3.86Å; I496-V627 HydrophobicContact CG2-CG2 4.28Å
497	S	89.5	Confident	90.7	Very high	33 Å²	33	29.1 Å²	29.1	23%	0.231	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-55.5	-36.9	-172.5	56.5	0	0	0	0	114.1	Y493 F499 I500	Y493-S497 WeakPolarHBondContact O-CB 3.33Å; Y493-S497 PolarHBondContact O-N 3.09Å; Y493-S497 PolarHBondContact O-OG 3.04Å; S497-F499 PolarHBondContact O-N 2.63Å; S497-I500 PolarHBondContact O-N 2.7Å
498	D	89	Confident	91	Very high	137 Å²	137	28.9 Å²	28.9	73%	0.733	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-73	-13.5	-178.5	-63.8	-8.6	0	0	0	112.5	I496	I496-D498 PolarHBondContact O-N 3.12Å; I496-D498 VanDerWaalsContact O-N 3.15Å
499	F	88.8	Confident	91.3	Very high	56 Å²	56	28.9 Å²	28.9	25%	0.246	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-101.6	-6.7	178.1	-55.8	-82.1	0	0	0	112.6	W495 I496 S497 N501 S626 P628 L634	W495-F499 WeakPolarHBondContact O-CD2 3.25Å; W495-F499 WeakPolarHBondContact O-CE2 3.39Å; I496-F499 WeakPolarHBondContact O-CA 3.26Å; I496-F499 WeakPolarHBondContact O-CB 3.43Å; I496-F499 PolarHBondContact O-N 2.89Å; S497-F499 PolarHBondContact O-N 2.63Å; F499-N501 PolarHBondContact O-N 3.47Å; F499-N501 VanDerWaalsContact O-N 3.1Å; F499-N501 PolarHBondContact O-ND2 3.45Å; F499-S626 VanDerWaalsContact O-CB 3.3Å; F499-S626 WeakPolarHBondContact O-CB 3.16Å; F499-P628 HydrophobicContact CD1-CG 3.66Å; F499-P628 HydrophobicContact CD2-CG 4.42Å; F499-P628 HydrophobicContact CE1-CG 3.44Å; F499-P628 VanDerWaalsContact CE1-CG 3.44Å; F499-P628 HydrophobicContact CE2-CG 4.25Å; F499-P628 HydrophobicContact CG-CG 4.15Å; F499-P628 HydrophobicContact CZ-CG 3.76Å; F499-L634 HydrophobicContact CD2-CD2 3.8Å; F499-L634 HydrophobicContact CE2-CD2 3.34Å; F499-L634 HydrophobicContact CZ-CD2 4.01Å
500	I	90.1	Very high	91.7	Very high	10 Å²	10	28 Å²	28	5%	0.051	15%	0.145	C	C	.	.			trans	-81.8	92.5	176.8	-58.3	170.1	0	0	0	108.6	Y493 I496 S497 H502 W503 P622	Y493-I500 HydrophobicContact CD2-CD1 4.48Å; Y493-I500 HydrophobicContact CE2-CD1 3.7Å; I496-I500 HydrophobicContact CG1-CD1 4.46Å; I496-I500 PolarHBondContact O-N 3.11Å; S497-I500 PolarHBondContact O-N 2.7Å; I500-H502 VanDerWaalsContact CG2-O 3.27Å; I500-H502 WeakPolarHBondContact CG2-O 3.2Å; I500-W503 HydrophobicContact CD1-CZ2 4.35Å; I500-W503 HydrophobicContact CG2-CD2 4.37Å; I500-W503 HydrophobicContact CG2-CZ2 4.01Å; I500-W503 VanDerWaalsContact CG2-NE1 3.27Å; I500-P622 HydrophobicContact CD1-CB 3.78Å; I500-P622 HydrophobicContact CD1-CG 4.44Å; I500-P622 HydrophobicContact CG1-CB 4.22Å; I500-P622 HydrophobicContact CG2-CB 3.67Å
501	N	90	Very high	92	Very high	87 Å²	87	27.9 Å²	27.9	47%	0.465	15%	0.145	S	C	.	.			trans	-79.5	-28	-178.7	-63.8	-51.3	0	0	0	113.1	F499 S626	F499-N501 PolarHBondContact O-N 3.47Å; F499-N501 VanDerWaalsContact O-N 3.1Å; F499-N501 PolarHBondContact O-ND2 3.45Å; N501-S626 WeakPolarHBondContact ND2-CB 3.42Å; N501-S626 PolarHBondContact ND2-OG 2.85Å
502	H	92.2	Very high	92.2	Very high	68 Å²	68	29.1 Å²	29.1	32%	0.315	15%	0.151	S	C	.	.			trans	-143	166.2	-174	-53	116.8	0	0	0	111.2	I500 L543 I571 I572 D623	I500-H502 VanDerWaalsContact CG2-O 3.27Å; I500-H502 WeakPolarHBondContact CG2-O 3.2Å; H502-L543 WeakPolarHBondContact CD2-CD1 3.32Å; H502-I571 HydrophobicContact CB-CG2 4.07Å; H502-I572 CarbonylContact C-O 3.57Å; H502-I572 WeakPolarHBondContact CA-O 3.49Å; H502-D623 HydrophobicContact CB-CB 3.99Å; H502-D623 WeakPolarHBondContact O-CB 3.41Å; H502-D623 PolarHBondContact O-N 2.86Å
503	W	94.3	Very high	92.6	Very high	6 Å²	6	30 Å²	30	2%	0.023	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.6	178	-68.8	72.2	0	0	0	109.8	T87 Y493 I500 I571 I572 P575 C620 V621 P622	T87-W503 HydrophobicContact CG2-CZ3 4.43Å; Y493-W503 HydrophobicContact CE2-CH2 4.41Å; Y493-W503 WeakPolarHBondContact OH-CZ2 3.21Å; I500-W503 HydrophobicContact CD1-CZ2 4.35Å; I500-W503 HydrophobicContact CG2-CD2 4.37Å; I500-W503 HydrophobicContact CG2-CZ2 4.01Å; I500-W503 VanDerWaalsContact CG2-NE1 3.27Å; W503-I571 CarbonylContact O-C 3.48Å; W503-I571 WeakPolarHBondContact O-CA 3.46Å; W503-I572 HydrophobicContact CB-CD1 4.38Å; W503-I572 HydrophobicContact CB-CG1 3.79Å; W503-I572 PolarHBondContact N-O 2.88Å; W503-I572 PolarHBondContact O-N 3.36Å; W503-P575 HydrophobicContact CD2-CB 3.74Å; W503-P575 HydrophobicContact CD2-CG 4.16Å; W503-P575 HydrophobicContact CE3-CB 3.84Å; W503-P575 HydrophobicContact CG-CB 4.24Å; W503-P575 HydrophobicContact CH2-CB 4.33Å; W503-P575 HydrophobicContact CH2-CG 4.36Å; W503-P575 HydrophobicContact CZ2-CB 4.26Å; W503-P575 HydrophobicContact CZ2-CG 3.95Å; W503-P575 HydrophobicContact CZ3-CB 4.13Å; W503-C620 HydrophobicContact CE3-CB 4.1Å; W503-V621 CarbonylContact C-O 3.57Å; W503-V621 WeakPolarHBondContact CA-O 3.49Å; W503-V621 VanDerWaalsContact CE3-C 3.47Å; W503-P622 HydrophobicContact CD2-CB 4.07Å; W503-P622 HydrophobicContact CE3-CB 3.89Å; W503-P622 HydrophobicContact CH2-CB 3.87Å; W503-P622 HydrophobicContact CH2-CG 4.32Å; W503-P622 HydrophobicContact CZ2-CB 4.03Å; W503-P622 HydrophobicContact CZ3-CB 3.79Å; W503-P622 HydrophobicContact CZ3-CG 4.13Å
504	C	95.1	Very high	93	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.02	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	109.5	168.5	-165.9	0	0	0	0	109.1	R506 A570 C620 V621 A653	C504-R506 HydrophobicContact CB-CG 4.5Å; C504-R506 VanDerWaalsContact SG-CD 3.55Å; C504-A570 CarbonylContact C-O 3.57Å; C504-A570 WeakPolarHBondContact CA-O 3.2Å; C504-C620 WeakPolarHBondContact O-CA 3.47Å; C504-V621 PolarHBondContact N-O 3.33Å; C504-V621 PolarHBondContact O-N 3.37Å; C504-A653 HydrophobicContact CB-CB 3.98Å
505	A	97.4	Very high	93.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	130.8	162.6	0	0	0	0	0	109.1	C569 A570 I572 P578 I581 F582	A505-C569 WeakPolarHBondContact O-CA 3.47Å; A505-A570 HydrophobicContact CB-CB 4.46Å; A505-A570 PolarHBondContact N-O 2.83Å; A505-A570 PolarHBondContact O-N 3.24Å; A505-I572 HydrophobicContact CB-CD1 3.94Å; A505-I572 HydrophobicContact CB-CG2 4.41Å; A505-P578 HydrophobicContact CB-CB 4.15Å; A505-P578 HydrophobicContact CB-CG 4.36Å; A505-I581 HydrophobicContact CB-CD1 3.92Å; A505-F582 HydrophobicContact CB-CE2 4.12Å; A505-F582 HydrophobicContact CB-CZ 3.86Å; A505-F582 WeakPolarHBondContact O-CZ 3.31Å
506	R	97.9	Very high	94	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.7	-173.5	-66.3	-77	-67.6	143.1	1.7	111.2	D202 I203 P205 C504 H567 V568 C569 P578 Y618 F619 V621	D202-R506 PolarHBondContact O-NH2 3.29Å; I203-R506 PolarHBondContact O-NE 3.28Å; I203-R506 PolarHBondContact O-NH2 3.44Å; P205-R506 VanDerWaalsContact CD-NH1 3.35Å; C504-R506 HydrophobicContact CB-CG 4.5Å; C504-R506 VanDerWaalsContact SG-CD 3.55Å; R506-H567 PolarHBondContact NH2-ND1 3.43Å; R506-V568 WeakPolarHBondContact CA-O 3.39Å; R506-V568 PolarHBondContact NH1-O 3.15Å; R506-C569 PolarHBondContact NH1-SG 3.43Å; R506-P578 WeakPolarHBondContact O-CB 3.45Å; R506-Y618 WeakPolarHBondContact O-CA 3.39Å; R506-F619 WeakPolarHBondContact CA-O 3.47Å; R506-F619 HydrophobicContact CB-CD1 4.02Å; R506-F619 HydrophobicContact CB-CD2 3.85Å; R506-F619 HydrophobicContact CB-CE1 3.67Å; R506-F619 HydrophobicContact CB-CE2 3.56Å; R506-F619 HydrophobicContact CB-CG 4.09Å; R506-F619 HydrophobicContact CB-CZ 3.46Å; R506-F619 VanDerWaalsContact CB-CZ 3.46Å; R506-F619 WeakPolarHBondContact CB-O 3.25Å; R506-F619 HydrophobicContact CG-CD2 4.17Å; R506-F619 HydrophobicContact CG-CE2 3.67Å; R506-F619 HydrophobicContact CG-CZ 3.91Å; R506-F619 PolarHBondContact N-O 2.96Å; R506-F619 PolarHBondContact O-N 2.79Å; R506-F619 VanDerWaalsContact O-N 3.11Å; R506-V621 HydrophobicContact CG-CG2 4.39Å
507	A	98.4	Very high	94.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.2	157.3	0	0	0	0	0	110.2	L509 V568 F582 G617 Y618	A507-L509 HydrophobicContact CB-CD2 4.31Å; A507-V568 HydrophobicContact CB-CB 3.99Å; A507-V568 HydrophobicContact CB-CG2 4.23Å; A507-V568 PolarHBondContact N-O 2.91Å; A507-V568 PolarHBondContact O-N 3.04Å; A507-F582 HydrophobicContact CB-CD2 3.79Å; A507-F582 HydrophobicContact CB-CE2 4.07Å; A507-G617 CarbonylContact C-O 3.55Å; A507-G617 WeakPolarHBondContact CA-O 3.36Å; A507-Y618 HydrophobicContact CB-CD1 3.55Å; A507-Y618 HydrophobicContact CB-CE1 3.69Å
508	V	98.6	Very high	94.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.4	168.6	-179.5	0	0	0	0	107	F53 I201 V565 V566 W615 A616 G617 F619	F53-V508 HydrophobicContact CE1-CB 4.13Å; F53-V508 HydrophobicContact CE1-CG2 3.95Å; F53-V508 HydrophobicContact CZ-CB 4.35Å; F53-V508 HydrophobicContact CZ-CG2 3.66Å; I201-V508 HydrophobicContact CD1-CG1 4.4Å; I201-V508 HydrophobicContact CG2-CB 4.41Å; I201-V508 HydrophobicContact CG2-CG1 3.85Å; I201-V508 HydrophobicContact CG2-CG2 3.88Å; V508-V565 HydrophobicContact CG1-CG1 3.88Å; V508-V566 WeakPolarHBondContact CA-O 3.33Å; V508-W615 HydrophobicContact CB-CZ3 4.13Å; V508-W615 HydrophobicContact CG1-CZ3 4.12Å; V508-W615 WeakPolarHBondContact O-CZ3 3.48Å; V508-A616 CarbonylContact O-C 3.55Å; V508-A616 VanDerWaalsContact O-CA 3.3Å; V508-A616 WeakPolarHBondContact O-CA 3.19Å; V508-G617 PolarHBondContact N-O 3.48Å; V508-G617 PolarHBondContact O-N 3.4Å; V508-F619 HydrophobicContact CG2-CE1 4.26Å
509	L	98.5	Very high	93.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141	-178.9	-42.8	174.8	0	0	0	109	A507 T511 V565 V566 V568 L586 F590 M613 W615 A616	A507-L509 HydrophobicContact CB-CD2 4.31Å; L509-T511 HydrophobicContact CB-CG2 4.29Å; L509-V565 CarbonylContact O-C 3.58Å; L509-V565 WeakPolarHBondContact O-CA 3.45Å; L509-V566 HydrophobicContact CB-CB 4.17Å; L509-V566 HydrophobicContact CD1-CB 4.42Å; L509-V566 PolarHBondContact N-O 3.43Å; L509-V566 PolarHBondContact O-N 2.85Å; L509-V568 HydrophobicContact CD1-CG2 4.1Å; L509-V568 HydrophobicContact CG-CG2 4.3Å; L509-L586 HydrophobicContact CD1-CD2 3.62Å; L509-L586 HydrophobicContact CD2-CD2 4.28Å; L509-F590 HydrophobicContact CD1-CD2 4.06Å; L509-F590 HydrophobicContact CD1-CE1 4.2Å; L509-F590 HydrophobicContact CD1-CE2 3.62Å; L509-F590 HydrophobicContact CD1-CZ 3.7Å; L509-M613 HydrophobicContact CD1-SD 4.25Å; L509-M613 HydrophobicContact CD2-SD 4.23Å; L509-W615 WeakPolarHBondContact CA-O 3.41Å; L509-A616 HydrophobicContact CD2-CB 3.68Å
510	I	97.8	Very high	93.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.5	164.6	-59.3	167.4	0	0	0	107.7	F50 L192 V196 L563 F564 V565 L614 W615	F50-I510 HydrophobicContact CD2-CD1 4.03Å; F50-I510 HydrophobicContact CE2-CD1 3.56Å; F50-I510 HydrophobicContact CZ-CD1 4.21Å; L192-I510 HydrophobicContact CD1-CG2 3.88Å; L192-I510 HydrophobicContact CD2-CD1 4.45Å; L192-I510 HydrophobicContact CD2-CG2 4.36Å; V196-I510 HydrophobicContact CB-CD1 4.43Å; V196-I510 HydrophobicContact CG1-CD1 4.13Å; V196-I510 HydrophobicContact CG1-CG2 4.29Å; V196-I510 HydrophobicContact CG2-CD1 3.9Å; I510-L563 HydrophobicContact CG2-CD2 4.49Å; I510-F564 CarbonylContact C-O 3.59Å; I510-F564 WeakPolarHBondContact CA-O 3.41Å; I510-V565 HydrophobicContact CG1-CG2 4.3Å; I510-L614 HydrophobicContact CG2-CD1 4.48Å; I510-L614 PolarHBondContact O-N 2.83Å; I510-W615 HydrophobicContact CB-CB 4.33Å; I510-W615 HydrophobicContact CD1-CB 4.18Å; I510-W615 HydrophobicContact CD1-CD2 4.31Å; I510-W615 HydrophobicContact CD1-CE3 3.91Å; I510-W615 HydrophobicContact CD1-CG 4.46Å; I510-W615 HydrophobicContact CG1-CE3 4.06Å; I510-W615 PolarHBondContact N-O 2.94Å
511	T	96.5	Very high	93.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155.9	-176.5	63.5	0	0	0	0	112.4	L509 S513 L563 F564 V566 F590 P611 R612 M613	L509-T511 HydrophobicContact CB-CG2 4.29Å; T511-S513 PolarHBondContact OG1-O 3.16Å; T511-L563 WeakPolarHBondContact O-CA 3.46Å; T511-F564 PolarHBondContact N-O 2.93Å; T511-F564 PolarHBondContact O-N 3.34Å; T511-V566 HydrophobicContact CG2-CG2 4.42Å; T511-F590 HydrophobicContact CG2-CD1 3.85Å; T511-F590 HydrophobicContact CG2-CE1 3.8Å; T511-P611 HydrophobicContact CG2-CB 4.23Å; T511-R612 VanDerWaalsContact CA-O 3.27Å; T511-R612 WeakPolarHBondContact CA-O 3.28Å; T511-M613 HydrophobicContact CG2-CG 4.31Å
512	D	93.4	Very high	93.8	Very high	25 Å²	25	32.7 Å²	32.7	13%	0.134	18%	0.181	C	C	.	.	S	Bend	trans	-91	-4.2	-177.6	73.5	-27.8	0	0	0	114.5	R612 L614	D512-R612 PolarHBondContact N-O 3.16Å; D512-R612 WeakPolarHBondContact OD1-CA 3.28Å; D512-R612 WeakPolarHBondContact OD1-CB 3.2Å; D512-R612 PolarHBondContact OD1-N 3Å; D512-R612 IonicContact OD2-CZ 2.96Å; D512-R612 IonicContact OD2-NE 3.4Å; D512-R612 PolarHBondContact OD2-NE 2.99Å; D512-R612 IonicContact OD2-NH2 3.16Å; D512-R612 PolarHBondContact OD2-NH2 3.41Å; D512-L614 HydrophobicContact CB-CD1 4.31Å; D512-L614 HydrophobicContact CB-CD2 4.41Å
513	S	93.7	Very high	93.7	Very high	30 Å²	30	31.6 Å²	31.6	21%	0.21	18%	0.181	C	C	.	.	S	Bend	trans	-150.7	165.9	173.1	69	0	0	0	0	111.2	T511 F564 P611	T511-S513 PolarHBondContact OG1-O 3.16Å; S513-F564 WeakPolarHBondContact O-CD2 3.48Å; S513-P611 VanDerWaalsContact O-CB 3.31Å; S513-P611 WeakPolarHBondContact O-CB 3.39Å; S513-P611 VanDerWaalsContact OG-CA 3.25Å; S513-P611 WeakPolarHBondContact OG-CA 3.29Å; S513-P611 WeakPolarHBondContact OG-CB 3.36Å
514	S	95.4	Very high	93.8	Very high	3 Å²	3	32 Å²	32	2%	0.021	18%	0.184	C	C	.	.			trans	-75.9	149.9	175.6	174	0	0	0	0	111.3	R234 L516 P517 E550 F564 P611	R234-S514 PolarHBondContact NH1-OG 2.81Å; R234-S514 VanDerWaalsContact NH1-OG 3.08Å; R234-S514 PolarHBondContact NH2-OG 2.81Å; S514-L516 PolarHBondContact O-N 2.99Å; S514-L516 PolarHBondContact OG-N 3Å; S514-L516 VanDerWaalsContact OG-N 3.14Å; S514-L516 PolarHBondContact OG-O 3.3Å; S514-P517 WeakPolarHBondContact O-CD 3.48Å; S514-P517 WeakPolarHBondContact O-CG 3.28Å; S514-E550 VanDerWaalsContact CA-OE1 3.28Å; S514-E550 WeakPolarHBondContact CA-OE1 3.45Å; S514-E550 WeakPolarHBondContact CB-OE2 3.09Å; S514-E550 PolarHBondContact OG-OE2 3.11Å; S514-F564 VanDerWaalsContact N-CE2 3.35Å; S514-P611 WeakPolarHBondContact O-CG 3.38Å
515	L	95.1	Very high	93.9	Very high	13 Å²	13	32 Å²	32	7%	0.068	18%	0.184	C	C	.	.	S	Bend	trans	-51.5	-30.1	166.2	-75.7	171.5	0	0	0	113.2	L528 L548 E550 L589 F590	L515-L528 HydrophobicContact CD1-CD2 4.45Å; L515-L548 HydrophobicContact CD1-CD2 4.37Å; L515-E550 WeakPolarHBondContact CB-OE1 3.3Å; L515-E550 HydrophobicContact CD1-CB 4.38Å; L515-E550 WeakPolarHBondContact CG-OE1 3.36Å; L515-E550 PolarHBondContact N-OE1 3.37Å; L515-L589 HydrophobicContact CD2-CB 4.29Å; L515-L589 HydrophobicContact CD2-CD1 4.48Å; L515-F590 HydrophobicContact CD2-CE1 3.69Å; L515-F590 HydrophobicContact CD2-CE2 4.34Å; L515-F590 HydrophobicContact CD2-CZ 3.55Å; L515-F590 HydrophobicContact CG-CE1 4.37Å; L515-F590 HydrophobicContact CG-CZ 4.32Å
516	L	94.8	Very high	93.9	Very high	20 Å²	20	32.1 Å²	32.1	11%	0.105	18%	0.184	C	C	.	.	S	Bend	trans	-134	88.4	173.7	-177.2	64.9	0	0	0	108.7	R234 L236 V268 K270 S514 D518	R234-L516 PolarHBondContact NH1-O 3.4Å; L236-L516 HydrophobicContact CD1-CB 4.33Å; L236-L516 HydrophobicContact CD2-CD2 3.72Å; V268-L516 HydrophobicContact CG1-CB 4.43Å; K270-L516 HydrophobicContact CB-CD2 4.1Å; S514-L516 PolarHBondContact O-N 2.99Å; S514-L516 PolarHBondContact OG-N 3Å; S514-L516 VanDerWaalsContact OG-N 3.14Å; S514-L516 PolarHBondContact OG-O 3.3Å; L516-D518 VanDerWaalsContact C-N 3.29Å; L516-D518 PolarHBondContact O-N 3.38Å
517	P	91.5	Very high	93.9	Very high	57 Å²	57	32.2 Å²	32.2	37%	0.37	18%	0.184	S	C	.	.			trans	-63.8	-31.7	-174.8	-24.5	34.4	0	0	0	114.3	S514 D519 C520	S514-P517 WeakPolarHBondContact O-CD 3.48Å; S514-P517 WeakPolarHBondContact O-CG 3.28Å; P517-D519 PolarHBondContact O-N 2.86Å; P517-C520 PolarHBondContact O-N 2.84Å
518	D	87.2	Confident	93.9	Very high	92 Å²	92	32.2 Å²	32.2	49%	0.492	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	125.2	-178.7	-65	8.9	0	0	0	110.5	L516 C520 H608	L516-D518 VanDerWaalsContact C-N 3.29Å; L516-D518 PolarHBondContact O-N 3.38Å; D518-C520 PolarHBondContact O-N 2.92Å; D518-C520 VanDerWaalsContact O-N 3.08Å; D518-H608 IonicContact OD1-CE1 3.89Å; D518-H608 IonicContact OD1-ND1 2.8Å; D518-H608 IonicContact OD2-CE1 3.13Å; D518-H608 PolarHBondContact OD2-CE1 3.42Å; D518-H608 VanDerWaalsContact OD2-CE1 3.23Å
519	D	81	Confident	93.8	Very high	157 Å²	157	32.3 Å²	32.3	84%	0.84	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	23.6	178.8	-58.2	-32.6	0	0	0	115.3	P517 K521	P517-D519 PolarHBondContact O-N 2.86Å; D519-K521 PolarHBondContact O-N 2.79Å
520	C	90.3	Very high	93.7	Very high	32 Å²	32	32.9 Å²	32.9	22%	0.216	19%	0.188	C	C	.	.			trans	-70.1	113.1	177.9	-173.2	0	0	0	0	111.2	R234 P517 D518	R234-C520 VanDerWaalsContact CZ-SG 3.59Å; R234-C520 PolarHBondContact NH2-SG 2.89Å; R234-C520 VanDerWaalsContact NH2-SG 3.37Å; P517-C520 PolarHBondContact O-N 2.84Å; D518-C520 PolarHBondContact O-N 2.92Å; D518-C520 VanDerWaalsContact O-N 3.08Å
521	K	91.3	Very high	93.4	Very high	103 Å²	103	34.5 Å²	34.5	45%	0.448	20%	0.199	S	C	.	.			trans	-89.4	156.7	174.6	-57.8	-178.6	-179.3	-173	0	110.4	E150 D519 S523 D524	E150-K521 IonicContact OE1-NZ 2.68Å; E150-K521 PolarHBondContact OE1-NZ 2.76Å; E150-K521 IonicContact OE2-NZ 3.55Å; E150-K521 PolarHBondContact OE2-NZ 3.48Å; D519-K521 PolarHBondContact O-N 2.79Å; K521-S523 PolarHBondContact O-N 3.06Å; K521-D524 PolarHBondContact N-OD2 3.16Å; K521-D524 WeakPolarHBondContact O-CB 3.35Å; K521-D524 PolarHBondContact O-N 2.77Å; K521-D524 VanDerWaalsContact O-N 3.08Å
522	S	89	Confident	93	Very high	78 Å²	78	35 Å²	35	55%	0.545	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.9	179.6	56.1	0	0	0	0	114.8	R230 D524	R230-S522 PolarHBondContact NH1-O 2.99Å; S522-D524 VanDerWaalsContact C-N 3.33Å
523	S	90.9	Very high	92.3	Very high	44 Å²	44	38.9 Å²	38.9	31%	0.308	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.6	174.3	52.5	0	0	0	0	113.1	K521	K521-S523 PolarHBondContact O-N 3.06Å
524	D	95.5	Very high	91.2	Very high	16 Å²	16	41.4 Å²	41.4	9%	0.086	25%	0.245	C	C	.	.			trans	-72.9	133.6	-176.1	-75.3	-30	0	0	0	112.2	S233 R234 K521 S522	S233-D524 WeakPolarHBondContact CB-OD1 3.48Å; S233-D524 WeakPolarHBondContact OG-CA 3.38Å; S233-D524 WeakPolarHBondContact OG-CB 3.48Å; S233-D524 VanDerWaalsContact OG-CG 3.3Å; S233-D524 PolarHBondContact OG-OD1 3.44Å; R234-D524 HydrophobicContact CG-CB 4.44Å; R234-D524 IonicContact NE-OD2 3.33Å; K521-D524 PolarHBondContact N-OD2 3.16Å; K521-D524 WeakPolarHBondContact O-CB 3.35Å; K521-D524 PolarHBondContact O-N 2.77Å; K521-D524 VanDerWaalsContact O-N 3.08Å; S522-D524 VanDerWaalsContact C-N 3.33Å
525	I	97.5	Very high	89.8	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.8	166.2	-53	-64.1	0	0	0	107.6	R230 V232 S233 R234 W383 I549 C551	R230-I525 HydrophobicContact CB-CG1 4.3Å; V232-I525 HydrophobicContact CG2-CB 4.49Å; V232-I525 HydrophobicContact CG2-CG2 4.06Å; S233-I525 PolarHBondContact N-O 3.34Å; S233-I525 VanDerWaalsContact N-O 3.17Å; R234-I525 PolarHBondContact N-O 2.94Å; W383-I525 HydrophobicContact CB-CG1 4.35Å; W383-I525 HydrophobicContact CB-CG2 4.34Å; W383-I525 HydrophobicContact CD2-CG2 4.33Å; W383-I525 HydrophobicContact CG-CD1 4.5Å; W383-I525 HydrophobicContact CG-CG1 4.25Å; W383-I525 HydrophobicContact CG-CG2 4.13Å; I525-I549 HydrophobicContact CG2-CG2 4.11Å; I525-C551 HydrophobicContact CD1-CB 3.58Å
526	S	98	Very high	88.6	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	144.3	178.4	-64.2	0	0	0	0	112.5	R234 I549 E550	R234-S526 WeakPolarHBondContact CB-OG 3.48Å; R234-S526 PolarHBondContact NE-OG 3.42Å; R234-S526 PolarHBondContact NH2-OG 2.97Å; R234-S526 CarbonylContact O-C 3.5Å; R234-S526 WeakPolarHBondContact O-CA 3.48Å; S526-I549 CarbonylContact O-C 3.56Å; S526-I549 VanDerWaalsContact O-CA 3.3Å; S526-I549 WeakPolarHBondContact O-CA 3.25Å; S526-E550 PolarHBondContact N-O 2.95Å; S526-E550 PolarHBondContact O-N 3.26Å
527	I	98.2	Very high	87.5	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.3	164.4	-64.9	180	0	0	0	109.2	I207 V232 R234 L236 F352 I381 I547 L548 I549	I207-I527 HydrophobicContact CD1-CD1 4.22Å; I207-I527 HydrophobicContact CG2-CD1 3.74Å; V232-I527 HydrophobicContact CB-CD1 4.36Å; V232-I527 HydrophobicContact CG1-CB 4.13Å; V232-I527 HydrophobicContact CG1-CD1 3.76Å; V232-I527 HydrophobicContact CG1-CG1 3.63Å; V232-I527 HydrophobicContact CG2-CD1 3.85Å; V232-I527 HydrophobicContact CG2-CG1 4.31Å; R234-I527 PolarHBondContact O-N 3.22Å; L236-I527 PolarHBondContact N-O 2.87Å; F352-I527 HydrophobicContact CE1-CG2 3.94Å; F352-I527 HydrophobicContact CZ-CG2 3.78Å; I381-I527 HydrophobicContact CD1-CD1 4.41Å; I527-I547 HydrophobicContact CG2-CG2 4Å; I527-L548 CarbonylContact C-O 3.52Å; I527-L548 VanDerWaalsContact CA-O 3.29Å; I527-L548 WeakPolarHBondContact CA-O 3.42Å; I527-I549 HydrophobicContact CG1-CG1 4.21Å; I527-I549 HydrophobicContact CG1-CG2 4.32Å
528	L	98	Very high	86.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.2	171.4	171.1	65.4	0	0	0	109.1	L236 A237 V268 L515 L548 L589	L236-L528 HydrophobicContact CB-CB 4.05Å; L236-L528 HydrophobicContact CB-CD1 4.02Å; L236-L528 WeakPolarHBondContact O-CD1 3.34Å; A237-L528 VanDerWaalsContact C-CD1 3.45Å; A237-L528 VanDerWaalsContact CA-CD1 3.48Å; V268-L528 HydrophobicContact CG2-CD2 4.46Å; L515-L528 HydrophobicContact CD1-CD2 4.45Å; L528-L548 HydrophobicContact CB-CB 4.24Å; L528-L548 HydrophobicContact CB-CD1 4.48Å; L528-L548 HydrophobicContact CD2-CD1 4.22Å; L528-L548 HydrophobicContact CD2-CD2 4.49Å; L528-L548 HydrophobicContact CG-CD1 4.27Å; L528-L548 PolarHBondContact N-O 3.44Å; L528-L548 PolarHBondContact O-N 2.77Å; L528-L589 HydrophobicContact CD2-CD1 3.64Å; L528-L589 HydrophobicContact CD2-CD2 4.44Å
529	A	97	Very high	85.8	Confident	3 Å²	3	54.9 Å²	54.9	3%	0.025	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	122.2	169.2	0	0	0	0	0	109.8	T348 N349 F352 P545 I547	T348-A529 HydrophobicContact CG2-CB 4.2Å; T348-A529 WeakPolarHBondContact O-CB 3.21Å; N349-A529 PolarHBondContact OD1-O 2.89Å; F352-A529 HydrophobicContact CD1-CB 3.85Å; F352-A529 HydrophobicContact CE1-CB 4.17Å; A529-P545 HydrophobicContact CB-CB 4.32Å; A529-I547 HydrophobicContact CB-CD1 3.76Å
530	Y	95.6	Very high	85.5	Confident	12 Å²	12	54 Å²	54	5%	0.047	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.5	-175.8	-174.6	-83.3	0	0	0	111.2	Y238 F532 P545 V546 L585	Y238-Y530 HydrophobicContact CD1-CD2 4.26Å; Y238-Y530 AromaticContact CD1-CE2 3.63Å; Y238-Y530 HydrophobicContact CD1-CE2 3.63Å; Y238-Y530 HydrophobicContact CE1-CE2 4.29Å; Y238-Y530 HydrophobicContact CG-CD2 4.11Å; Y238-Y530 AromaticContact CG-CE2 3.85Å; Y238-Y530 HydrophobicContact CG-CE2 3.85Å; Y530-F532 HydrophobicContact CD1-CD1 4.42Å; Y530-F532 HydrophobicContact CD1-CE1 4.5Å; Y530-F532 AromaticContact CE1-CD1 3.7Å; Y530-F532 HydrophobicContact CE1-CD1 3.7Å; Y530-F532 AromaticContact CE1-CE1 3.96Å; Y530-F532 HydrophobicContact CE1-CE1 3.96Å; Y530-F532 HydrophobicContact CE1-CG 4.25Å; Y530-P545 CarbonylContact O-C 3.51Å; Y530-P545 WeakPolarHBondContact O-CA 3.36Å; Y530-V546 PolarHBondContact N-O 3.43Å; Y530-V546 PolarHBondContact O-N 2.99Å; Y530-L585 HydrophobicContact CD1-CD1 3.37Å; Y530-L585 HydrophobicContact CD2-CD1 3.56Å; Y530-L585 HydrophobicContact CE1-CB 4.47Å; Y530-L585 HydrophobicContact CE1-CD1 3.73Å; Y530-L585 HydrophobicContact CE2-CD1 3.91Å; Y530-L585 HydrophobicContact CG-CD1 3.27Å
531	S	92	Very high	85.2	Confident	34 Å²	34	55.9 Å²	55.9	24%	0.238	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-101.5	135.3	169.9	-64.4	0	0	0	0	110.2	T348	T348-S531 VanDerWaalsContact CG2-OG 3.25Å; T348-S531 WeakPolarHBondContact CG2-OG 3.41Å; T348-S531 PolarHBondContact OG1-OG 3.2Å
532	F	88	Confident	85.1	Confident	11 Å²	11	51.6 Å²	51.6	5%	0.048	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-69.4	150.7	171.2	-68	-71	0	0	0	110.5	Y530 N536 Q538 N539 V546 P584 L585	Y530-F532 HydrophobicContact CD1-CD1 4.42Å; Y530-F532 HydrophobicContact CD1-CE1 4.5Å; Y530-F532 AromaticContact CE1-CD1 3.7Å; Y530-F532 HydrophobicContact CE1-CD1 3.7Å; Y530-F532 AromaticContact CE1-CE1 3.96Å; Y530-F532 HydrophobicContact CE1-CE1 3.96Å; Y530-F532 HydrophobicContact CE1-CG 4.25Å; F532-N536 HydrophobicContact CB-CB 4.13Å; F532-Q538 HydrophobicContact CD1-CB 4.2Å; F532-Q538 HydrophobicContact CD2-CB 3.61Å; F532-Q538 HydrophobicContact CE1-CB 4.3Å; F532-Q538 HydrophobicContact CE2-CB 3.72Å; F532-Q538 HydrophobicContact CE2-CG 4.45Å; F532-Q538 HydrophobicContact CG-CB 3.87Å; F532-Q538 HydrophobicContact CZ-CB 4.07Å; F532-Q538 HydrophobicContact CZ-CG 4.39Å; F532-N539 HydrophobicContact CB-CB 4.18Å; F532-N539 PolarHBondContact O-OD1 3.44Å; F532-V546 HydrophobicContact CD2-CG2 4.37Å; F532-V546 HydrophobicContact CE2-CG2 3.59Å; F532-V546 HydrophobicContact CZ-CG2 4.08Å; F532-P584 HydrophobicContact CE1-CB 4.1Å; F532-P584 HydrophobicContact CE1-CG 4.5Å; F532-L585 HydrophobicContact CE1-CB 3.87Å; F532-L585 HydrophobicContact CZ-CB 4.06Å
533	N	79.2	Confident	85.1	Confident	105 Å²	105	50 Å²	50	56%	0.561	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-64.1	149.1	172.3	-67.2	-17.4	0	0	0	110.1	N535 N536	N533-N535 PolarHBondContact O-N 2.99Å; N533-N536 WeakPolarHBondContact O-CB 3.46Å; N533-N536 PolarHBondContact O-N 3.3Å
534	A	70.7	Confident	85.1	Confident	84 Å²	84	49.6 Å²	49.6	69%	0.694	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-23.3	-180	0	0	0	0	0	114.5	N536	A534-N536 VanDerWaalsContact C-N 3.32Å
535	N	65.4	Low	85	Confident	157 Å²	157	49.1 Å²	49.1	84%	0.84	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-9.9	178.6	-61	-6.1	0	0	0	113.4	N533	N533-N535 PolarHBondContact O-N 2.99Å
536	N	70	Confident	85	Confident	49 Å²	49	49 Å²	49	26%	0.262	27%	0.27	S	S	.	.	S	Bend	trans	-87.1	128.6	178.5	-69.2	-12.5	0	0	0	109.2	F532 N533 A534 Q538 N539	F532-N536 HydrophobicContact CB-CB 4.13Å; N533-N536 WeakPolarHBondContact O-CB 3.46Å; N533-N536 PolarHBondContact O-N 3.3Å; A534-N536 VanDerWaalsContact C-N 3.32Å; N536-Q538 PolarHBondContact O-N 3.16Å; N536-N539 VanDerWaalsContact O-CB 3.31Å; N536-N539 WeakPolarHBondContact O-CB 3.45Å; N536-N539 PolarHBondContact O-N 2.99Å
537	Q	71.8	Confident	85	Confident	163 Å²	163	49.3 Å²	49.3	76%	0.762	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.9	174.5	-66.5	177.9	-12.5	0	0	112.5	N539 D540	Q537-N539 PolarHBondContact O-N 3.08Å; Q537-D540 PolarHBondContact O-N 3.08Å
538	Q	72.7	Confident	85	Confident	36 Å²	36	49.2 Å²	49.2	17%	0.168	27%	0.271	C	S	.	.	H	α-helix	trans	-64.1	-24.2	176	-68	74.8	12.7	0	0	113.7	F532 N536 D540 L541 C542 P584	F532-Q538 HydrophobicContact CD1-CB 4.2Å; F532-Q538 HydrophobicContact CD2-CB 3.61Å; F532-Q538 HydrophobicContact CE1-CB 4.3Å; F532-Q538 HydrophobicContact CE2-CB 3.72Å; F532-Q538 HydrophobicContact CE2-CG 4.45Å; F532-Q538 HydrophobicContact CG-CB 3.87Å; F532-Q538 HydrophobicContact CZ-CB 4.07Å; F532-Q538 HydrophobicContact CZ-CG 4.39Å; N536-Q538 PolarHBondContact O-N 3.16Å; Q538-D540 PolarHBondContact O-N 3.43Å; Q538-L541 PolarHBondContact O-N 3.43Å; Q538-L541 VanDerWaalsContact O-N 3.16Å; Q538-C542 PolarHBondContact O-N 2.67Å; Q538-C542 VanDerWaalsContact O-N 3.14Å; Q538-P584 HydrophobicContact CG-CG 4.24Å
539	N	69.2	Low	85	Confident	63 Å²	63	49.3 Å²	49.3	34%	0.337	27%	0.271	S	S	.	.	H	α-helix	trans	-65.8	-29.4	178.5	-168.1	57.3	0	0	0	112.3	F532 N536 Q537	F532-N539 HydrophobicContact CB-CB 4.18Å; F532-N539 PolarHBondContact O-OD1 3.44Å; N536-N539 VanDerWaalsContact O-CB 3.31Å; N536-N539 WeakPolarHBondContact O-CB 3.45Å; N536-N539 PolarHBondContact O-N 2.99Å; Q537-N539 PolarHBondContact O-N 3.08Å
540	D	75.4	Confident	85	Confident	137 Å²	137	49.2 Å²	49.2	73%	0.733	27%	0.27	S	S	*	.	H	α-helix	trans	-85.6	-16.1	176	-65.8	-23.4	0	0	0	112.6	Q537 Q538	Q537-D540 PolarHBondContact O-N 3.08Å; Q538-D540 PolarHBondContact O-N 3.43Å
541	L	83.9	Confident	85	Confident	72 Å²	72	49 Å²	49	38%	0.377	27%	0.271	S	S	.	.	H	α-helix	trans	-82.5	-42.7	178.6	-72.1	170.1	0	0	0	112.1	Q538	Q538-L541 PolarHBondContact O-N 3.43Å; Q538-L541 VanDerWaalsContact O-N 3.16Å
542	C	89.2	Confident	85.2	Confident	14 Å²	14	48 Å²	48	10%	0.095	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-86.2	129.2	-179.4	-61.8	0	0	0	0	111.2	Q538 I571	Q538-C542 PolarHBondContact O-N 2.67Å; Q538-C542 VanDerWaalsContact O-N 3.14Å; C542-I571 CarbonylContact C-O 3.6Å; C542-I571 WeakPolarHBondContact CA-O 3.29Å
543	L	88.5	Confident	85.5	Confident	43 Å²	43	47.7 Å²	47.7	23%	0.225	26%	0.261	C	S	.	.	S	Bend	trans	-77.2	-33.8	178.2	-66	-175.9	0	0	0	113	N354 H502 I571 K573	N354-L543 PolarHBondContact ND2-O 3.11Å; H502-L543 WeakPolarHBondContact CD2-CD1 3.32Å; L543-I571 HydrophobicContact CB-CB 4.3Å; L543-I571 HydrophobicContact CB-CG2 4.29Å; L543-I571 HydrophobicContact CD1-CG2 3.98Å; L543-I571 HydrophobicContact CG-CG2 4.5Å; L543-I571 PolarHBondContact N-O 3.22Å; L543-K573 HydrophobicContact CD1-CG 4.14Å; L543-K573 HydrophobicContact CD2-CD 4.26Å; L543-K573 VanDerWaalsContact CD2-CE 3.46Å; L543-K573 HydrophobicContact CD2-CG 3.8Å; L543-K573 HydrophobicContact CG-CG 4.2Å
544	D	91	Very high	85.9	Confident	36 Å²	36	47.5 Å²	47.5	19%	0.193	26%	0.257	C	S	.	.	S	Bend	trans	-131.1	169.2	177.9	-86.9	-45.5	0	0	0	108.9	S353 I571	S353-D544 VanDerWaalsContact CA-OD1 3.32Å; S353-D544 WeakPolarHBondContact CA-OD1 3.3Å; S353-D544 WeakPolarHBondContact CB-OD1 3.33Å; S353-D544 PolarHBondContact OG-OD1 2.92Å; D544-I571 HydrophobicContact CB-CD1 4.4Å
545	P	94.3	Very high	86.6	Confident	7 Å²	7	49.7 Å²	49.7	5%	0.045	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-53.6	146.5	174.8	-23.9	33.6	0	0	0	111.6	T348 S353 A529 Y530 I547	T348-P545 HydrophobicContact CG2-CB 4.05Å; T348-P545 HydrophobicContact CG2-CG 3.87Å; S353-P545 VanDerWaalsContact C-CD 3.42Å; S353-P545 VanDerWaalsContact CA-CD 3.43Å; S353-P545 WeakPolarHBondContact O-CG 3.32Å; A529-P545 HydrophobicContact CB-CB 4.32Å; Y530-P545 CarbonylContact O-C 3.51Å; Y530-P545 WeakPolarHBondContact O-CA 3.36Å; P545-I547 PolarHBondContact O-N 2.81Å
546	V	96.7	Very high	87.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	126.3	169.9	-174.8	0	0	0	0	108.4	Y530 F532 L548 V568 C569 A570 F582 L585	Y530-V546 PolarHBondContact N-O 3.43Å; Y530-V546 PolarHBondContact O-N 2.99Å; F532-V546 HydrophobicContact CD2-CG2 4.37Å; F532-V546 HydrophobicContact CE2-CG2 3.59Å; F532-V546 HydrophobicContact CZ-CG2 4.08Å; V546-L548 HydrophobicContact CG1-CD1 4.23Å; V546-V568 HydrophobicContact CG1-CG1 3.43Å; V546-V568 VanDerWaalsContact CG1-CG1 3.43Å; V546-C569 CarbonylContact C-O 3.52Å; V546-C569 WeakPolarHBondContact CA-O 3.41Å; V546-C569 WeakPolarHBondContact CG1-O 3.26Å; V546-A570 HydrophobicContact CG2-CB 4.12Å; V546-F582 HydrophobicContact CG1-CD1 4.05Å; V546-F582 HydrophobicContact CG1-CE1 3.64Å; V546-F582 HydrophobicContact CG2-CE1 4.21Å; V546-L585 HydrophobicContact CB-CD2 4.39Å; V546-L585 HydrophobicContact CG1-CD2 3.78Å
547	I	97.6	Very high	88.2	Confident	7 Å²	7	50.7 Å²	50.7	4%	0.036	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.3	179	-56.2	-57.4	0	0	0	109	F352 I527 A529 P545 I549 V568 C569 P655	F352-I547 HydrophobicContact CB-CD1 4.3Å; F352-I547 HydrophobicContact CD1-CD1 3.97Å; F352-I547 HydrophobicContact CG-CD1 4.22Å; I527-I547 HydrophobicContact CG2-CG2 4Å; A529-I547 HydrophobicContact CB-CD1 3.76Å; P545-I547 PolarHBondContact O-N 2.81Å; I547-I549 HydrophobicContact CG2-CG1 4.07Å; I547-V568 CarbonylContact O-C 3.55Å; I547-V568 WeakPolarHBondContact O-CA 3.46Å; I547-C569 PolarHBondContact N-O 2.87Å; I547-C569 PolarHBondContact O-N 2.85Å; I547-P655 HydrophobicContact CB-CB 4.49Å; I547-P655 HydrophobicContact CG1-CB 4.24Å; I547-P655 HydrophobicContact CG1-CG 4.13Å; I547-P655 HydrophobicContact CG2-CB 4.2Å
548	L	98.5	Very high	88.6	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.3	171.1	-59.6	82.1	0	0	0	108.6	L515 I527 L528 V546 V566 H567 V568 L585 L589 F590	L515-L548 HydrophobicContact CD1-CD2 4.37Å; I527-L548 CarbonylContact C-O 3.52Å; I527-L548 VanDerWaalsContact CA-O 3.29Å; I527-L548 WeakPolarHBondContact CA-O 3.42Å; L528-L548 HydrophobicContact CB-CB 4.24Å; L528-L548 HydrophobicContact CB-CD1 4.48Å; L528-L548 HydrophobicContact CD2-CD1 4.22Å; L528-L548 HydrophobicContact CD2-CD2 4.49Å; L528-L548 HydrophobicContact CG-CD1 4.27Å; L528-L548 PolarHBondContact N-O 3.44Å; L528-L548 PolarHBondContact O-N 2.77Å; V546-L548 HydrophobicContact CG1-CD1 4.23Å; L548-V566 HydrophobicContact CB-CG1 4.13Å; L548-V566 HydrophobicContact CD2-CG1 4.18Å; L548-H567 CarbonylContact C-O 3.58Å; L548-H567 WeakPolarHBondContact CA-O 3.27Å; L548-V568 HydrophobicContact CD2-CG2 4.3Å; L548-V568 HydrophobicContact CG-CG1 4.32Å; L548-V568 HydrophobicContact CG-CG2 4.22Å; L548-L585 HydrophobicContact CD1-CD1 4.31Å; L548-L585 HydrophobicContact CD1-CD2 4.17Å; L548-L585 HydrophobicContact CD2-CD2 4.44Å; L548-L589 HydrophobicContact CD2-CD1 3.78Å; L548-F590 HydrophobicContact CD2-CE2 4.06Å; L548-F590 HydrophobicContact CD2-CZ 4.13Å
549	I	98.1	Very high	88.9	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.9	173.2	-47.7	-177.8	0	0	0	107.5	P205 I207 W383 I525 S526 I527 I547 V566 H567	P205-I549 HydrophobicContact CB-CD1 4.28Å; P205-I549 HydrophobicContact CG-CD1 4.35Å; I207-I549 HydrophobicContact CG2-CD1 4.01Å; W383-I549 HydrophobicContact CE3-CG2 4.1Å; W383-I549 HydrophobicContact CH2-CD1 4.32Å; W383-I549 HydrophobicContact CH2-CG2 4.01Å; W383-I549 HydrophobicContact CZ3-CD1 3.7Å; W383-I549 HydrophobicContact CZ3-CG2 3.77Å; I525-I549 HydrophobicContact CG2-CG2 4.11Å; S526-I549 CarbonylContact O-C 3.56Å; S526-I549 VanDerWaalsContact O-CA 3.3Å; S526-I549 WeakPolarHBondContact O-CA 3.25Å; I527-I549 HydrophobicContact CG1-CG1 4.21Å; I527-I549 HydrophobicContact CG1-CG2 4.32Å; I547-I549 HydrophobicContact CG2-CG1 4.07Å; I549-V566 CarbonylContact O-C 3.6Å; I549-V566 WeakPolarHBondContact O-CA 3.32Å; I549-H567 HydrophobicContact CB-CB 4.28Å; I549-H567 PolarHBondContact N-O 3.01Å; I549-H567 PolarHBondContact O-N 3.11Å
550	E	97.8	Very high	89.3	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.1	180	172.8	-169.2	-88.3	0	0	110.2	R234 S514 L515 S526 F564 V565 V566	R234-E550 IonicContact CZ-OE2 3.23Å; R234-E550 IonicContact NH2-OE2 3.61Å; R234-E550 PolarHBondContact NH2-OE2 3.38Å; S514-E550 VanDerWaalsContact CA-OE1 3.28Å; S514-E550 WeakPolarHBondContact CA-OE1 3.45Å; S514-E550 WeakPolarHBondContact CB-OE2 3.09Å; S514-E550 PolarHBondContact OG-OE2 3.11Å; L515-E550 WeakPolarHBondContact CB-OE1 3.3Å; L515-E550 HydrophobicContact CD1-CB 4.38Å; L515-E550 WeakPolarHBondContact CG-OE1 3.36Å; L515-E550 PolarHBondContact N-OE1 3.37Å; S526-E550 PolarHBondContact N-O 2.95Å; S526-E550 PolarHBondContact O-N 3.26Å; E550-F564 HydrophobicContact CG-CB 4.14Å; E550-F564 HydrophobicContact CG-CD1 3.92Å; E550-F564 HydrophobicContact CG-CG 4.39Å; E550-V565 WeakPolarHBondContact CA-O 3.02Å; E550-V566 HydrophobicContact CB-CG2 4.19Å; E550-V566 HydrophobicContact CG-CG2 4.16Å
551	C	95.9	Very high	89.5	Confident	8 Å²	8	47.2 Å²	47.2	5%	0.054	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.7	170.2	56.1	0	0	0	0	110.2	I525 F564 V565	I525-C551 HydrophobicContact CD1-CB 3.58Å; C551-F564 CarbonylContact O-C 3.54Å; C551-F564 VanDerWaalsContact O-CA 3.31Å; C551-F564 WeakPolarHBondContact O-CA 3.37Å; C551-V565 PolarHBondContact N-O 2.96Å; C551-V565 PolarHBondContact O-N 2.88Å
552	Q	94.8	Very high	89.7	Confident	13 Å²	13	47.3 Å²	47.3	6%	0.061	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	138.3	171.8	-167.1	174.3	-18.3	0	0	110	E554 N562 L563 F564	Q552-E554 PolarHBondContact O-N 2.93Å; Q552-N562 VanDerWaalsContact NE2-CG 3.34Å; Q552-N562 PolarHBondContact NE2-OD1 3.12Å; Q552-L563 VanDerWaalsContact CG-O 3.29Å; Q552-L563 WeakPolarHBondContact CG-O 3.43Å; Q552-F564 HydrophobicContact CB-CD1 3.92Å; Q552-F564 HydrophobicContact CB-CE1 3.76Å; Q552-F564 HydrophobicContact CG-CD1 4.16Å; Q552-F564 HydrophobicContact CG-CE1 3.84Å; Q552-F564 HydrophobicContact CG-CZ 4.14Å
553	V	93.6	Very high	90	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.024	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-68.1	129.3	169	-179.8	0	0	0	0	108.8	V196 K555 L563 V565	V196-V553 HydrophobicContact CG1-CG1 4.38Å; V196-V553 HydrophobicContact CG1-CG2 4.17Å; V553-K555 PolarHBondContact O-N 2.65Å; V553-L563 HydrophobicContact CB-CB 3.96Å; V553-L563 HydrophobicContact CG2-CB 3.83Å; V553-L563 PolarHBondContact N-O 2.79Å; V553-V565 HydrophobicContact CG2-CG2 3.78Å
554	E	88.2	Confident	90.3	Very high	102 Å²	102	44.9 Å²	44.9	48%	0.477	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-61.3	135.4	178.6	-63.5	-164	152.3	0	0	111.6	R230 Q552 N556	R230-E554 IonicContact NH2-OE1 2.79Å; R230-E554 PolarHBondContact NH2-OE1 2.82Å; Q552-E554 PolarHBondContact O-N 2.93Å; E554-N556 PolarHBondContact O-N 3.2Å
555	K	86.1	Confident	90.7	Very high	130 Å²	130	43.2 Å²	43.2	57%	0.565	20%	0.201	S	C	*	.	P	Polyproline II helix	trans	-66.3	135	-179.5	-66.5	-171.1	178.1	-171.6	0	109.7	V553 C559 N562	V553-K555 PolarHBondContact O-N 2.65Å; K555-C559 WeakPolarHBondContact CA-O 3.09Å; K555-N562 WeakPolarHBondContact CE-OD1 3.07Å; K555-N562 PolarHBondContact NZ-OD1 2.66Å
556	N	84.3	Confident	90.9	Very high	49 Å²	49	42.9 Å²	42.9	26%	0.262	20%	0.199	S	C	.	.			trans	-143.7	-178.8	178.4	64.1	52.4	0	0	0	109.7	A195 E554 F558 C559	A195-N556 PolarHBondContact O-ND2 3.07Å; E554-N556 PolarHBondContact O-N 3.2Å; N556-F558 PolarHBondContact O-N 2.82Å; N556-F558 WeakPolarHBondContact OD1-CA 3.42Å; N556-F558 WeakPolarHBondContact OD1-CB 3.44Å; N556-F558 PolarHBondContact OD1-N 2.79Å; N556-C559 PolarHBondContact N-O 2.95Å; N556-C559 CarbonylContact O-C 3.32Å; N556-C559 PolarHBondContact O-N 3.36Å; N556-C559 VanDerWaalsContact O-N 3.15Å; N556-C559 PolarHBondContact OD1-N 3.11Å
557	K	84.4	Confident	90.9	Very high	177 Å²	177	43 Å²	43	77%	0.77	20%	0.2	S	C	*	.	S	Bend	trans	-52.2	-31.6	-179.4	-174.5	-179.9	177.1	-177	0	113.2
558	F	79.5	Confident	91	Very high	99 Å²	99	42.7 Å²	42.7	43%	0.434	20%	0.198	S	C	.	.	S	Bend	trans	-98.8	-24.3	-177.1	-52.7	-76.4	0	0	0	113.1	N194 N556	N194-F558 HydrophobicContact CB-CB 4.05Å; N194-F558 HydrophobicContact CB-CD1 4.11Å; N194-F558 HydrophobicContact CB-CD2 4.42Å; N194-F558 HydrophobicContact CB-CG 3.94Å; N556-F558 PolarHBondContact O-N 2.82Å; N556-F558 WeakPolarHBondContact OD1-CA 3.42Å; N556-F558 WeakPolarHBondContact OD1-CB 3.44Å; N556-F558 PolarHBondContact OD1-N 2.79Å
559	C	80.3	Confident	90.9	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.2	C	C	.	.			trans	-109.3	85.8	179.2	-163.6	0	0	0	0	111	A195 K555 N556 D561	A195-C559 HydrophobicContact CB-CB 3.77Å; K555-C559 WeakPolarHBondContact CA-O 3.09Å; N556-C559 PolarHBondContact N-O 2.95Å; N556-C559 CarbonylContact O-C 3.32Å; N556-C559 PolarHBondContact O-N 3.36Å; N556-C559 VanDerWaalsContact O-N 3.15Å; N556-C559 PolarHBondContact OD1-N 3.11Å; C559-D561 PolarHBondContact SG-O 2.81Å
560	K	76.3	Confident	90.8	Very high	163 Å²	163	43.1 Å²	43.1	71%	0.709	20%	0.201	S	C	*	.			trans	-88	-36.5	173.2	-65	-174	-178.8	-179.3	0	112.5
561	D	81	Confident	90.7	Very high	64 Å²	64	43.9 Å²	43.9	34%	0.342	21%	0.205	S	C	.	.	S	Bend	trans	-78.6	161.8	176.8	-61	-42.4	0	0	0	110.9	K185 W187 C559 L563	K185-D561 WeakPolarHBondContact CD-OD2 3.38Å; W187-D561 HydrophobicContact CZ2-CB 4.07Å; C559-D561 PolarHBondContact SG-O 2.81Å; D561-L563 PolarHBondContact O-N 3.22Å
562	N	87.4	Confident	90.6	Very high	74 Å²	74	43.7 Å²	43.7	40%	0.396	20%	0.204	S	C	.	.			trans	-77.2	116.4	178.5	-63.8	-19	0	0	0	109.5	Q552 K555 F564	Q552-N562 VanDerWaalsContact NE2-CG 3.34Å; Q552-N562 PolarHBondContact NE2-OD1 3.12Å; K555-N562 WeakPolarHBondContact CE-OD1 3.07Å; K555-N562 PolarHBondContact NZ-OD1 2.66Å; N562-F564 HydrophobicContact CB-CE2 3.75Å; N562-F564 HydrophobicContact CB-CZ 4.14Å
563	L	94.8	Very high	90.4	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.226	C	C	.	.			trans	-112.4	150.3	167.1	-73.7	-179.8	0	0	0	109.3	W187 L192 A195 V196 I510 T511 Q552 V553 D561 L614	W187-L563 HydrophobicContact CH2-CD1 3.53Å; W187-L563 HydrophobicContact CH2-CD2 4.17Å; W187-L563 HydrophobicContact CH2-CG 3.86Å; W187-L563 HydrophobicContact CZ2-CD1 3.83Å; W187-L563 HydrophobicContact CZ2-CD2 3.57Å; W187-L563 HydrophobicContact CZ2-CG 3.63Å; W187-L563 HydrophobicContact CZ3-CD1 4.07Å; L192-L563 HydrophobicContact CD1-CD1 3.63Å; L192-L563 HydrophobicContact CD1-CD2 4.15Å; A195-L563 HydrophobicContact CB-CD1 3.75Å; V196-L563 HydrophobicContact CG1-CD1 4.05Å; I510-L563 HydrophobicContact CG2-CD2 4.49Å; T511-L563 WeakPolarHBondContact O-CA 3.46Å; Q552-L563 VanDerWaalsContact CG-O 3.29Å; Q552-L563 WeakPolarHBondContact CG-O 3.43Å; V553-L563 HydrophobicContact CB-CB 3.96Å; V553-L563 HydrophobicContact CG2-CB 3.83Å; V553-L563 PolarHBondContact N-O 2.79Å; D561-L563 PolarHBondContact O-N 3.22Å; L563-L614 HydrophobicContact CD2-CD1 3.54Å
564	F	96.6	Very high	90.3	Very high	6 Å²	6	55 Å²	55	3%	0.026	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.6	179.4	-60.9	-96	0	0	0	110.2	I510 T511 S513 S514 E550 C551 Q552 N562	I510-F564 CarbonylContact C-O 3.59Å; I510-F564 WeakPolarHBondContact CA-O 3.41Å; T511-F564 PolarHBondContact N-O 2.93Å; T511-F564 PolarHBondContact O-N 3.34Å; S513-F564 WeakPolarHBondContact O-CD2 3.48Å; S514-F564 VanDerWaalsContact N-CE2 3.35Å; E550-F564 HydrophobicContact CG-CB 4.14Å; E550-F564 HydrophobicContact CG-CD1 3.92Å; E550-F564 HydrophobicContact CG-CG 4.39Å; C551-F564 CarbonylContact O-C 3.54Å; C551-F564 VanDerWaalsContact O-CA 3.31Å; C551-F564 WeakPolarHBondContact O-CA 3.37Å; Q552-F564 HydrophobicContact CB-CD1 3.92Å; Q552-F564 HydrophobicContact CB-CE1 3.76Å; Q552-F564 HydrophobicContact CG-CD1 4.16Å; Q552-F564 HydrophobicContact CG-CE1 3.84Å; Q552-F564 HydrophobicContact CG-CZ 4.14Å; N562-F564 HydrophobicContact CB-CE2 3.75Å; N562-F564 HydrophobicContact CB-CZ 4.14Å
565	V	97.6	Very high	90.5	Very high	1 Å²	1	52 Å²	52	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.5	168.3	173.8	0	0	0	0	108	H199 V508 L509 I510 E550 C551 V553	H199-V565 VanDerWaalsContact CD2-CG2 3.48Å; H199-V565 WeakPolarHBondContact CD2-CG2 3.38Å; V508-V565 HydrophobicContact CG1-CG1 3.88Å; L509-V565 CarbonylContact O-C 3.58Å; L509-V565 WeakPolarHBondContact O-CA 3.45Å; I510-V565 HydrophobicContact CG1-CG2 4.3Å; E550-V565 WeakPolarHBondContact CA-O 3.02Å; C551-V565 PolarHBondContact N-O 2.96Å; C551-V565 PolarHBondContact O-N 2.88Å; V553-V565 HydrophobicContact CG2-CG2 3.78Å
566	V	98.4	Very high	90.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	112.9	179.5	-170.9	0	0	0	0	109.1	V508 L509 T511 L548 I549 E550 V568 F590	V508-V566 WeakPolarHBondContact CA-O 3.33Å; L509-V566 HydrophobicContact CB-CB 4.17Å; L509-V566 HydrophobicContact CD1-CB 4.42Å; L509-V566 PolarHBondContact N-O 3.43Å; L509-V566 PolarHBondContact O-N 2.85Å; T511-V566 HydrophobicContact CG2-CG2 4.42Å; L548-V566 HydrophobicContact CB-CG1 4.13Å; L548-V566 HydrophobicContact CD2-CG1 4.18Å; I549-V566 CarbonylContact O-C 3.6Å; I549-V566 WeakPolarHBondContact O-CA 3.32Å; E550-V566 HydrophobicContact CB-CG2 4.19Å; E550-V566 HydrophobicContact CG-CG2 4.16Å; V566-V568 HydrophobicContact CG1-CG2 4.3Å; V566-F590 HydrophobicContact CG1-CZ 4.29Å; V566-F590 HydrophobicContact CG2-CE1 4.44Å; V566-F590 HydrophobicContact CG2-CZ 4.49Å
567	H	98.4	Very high	91.3	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.014	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125.6	169.6	-68.8	-71.2	0	0	0	109.9	D202 P205 R506 L548 I549	D202-H567 PolarHBondContact N-CE1 3.14Å; P205-H567 HydrophobicContact CG-CB 4.05Å; R506-H567 PolarHBondContact NH2-ND1 3.43Å; L548-H567 CarbonylContact C-O 3.58Å; L548-H567 WeakPolarHBondContact CA-O 3.27Å; I549-H567 HydrophobicContact CB-CB 4.28Å; I549-H567 PolarHBondContact N-O 3.01Å; I549-H567 PolarHBondContact O-N 3.11Å
568	V	98.5	Very high	91.9	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126	176.6	-170.9	0	0	0	0	108.5	R506 A507 L509 V546 I547 L548 V566 F582 L585	R506-V568 WeakPolarHBondContact CA-O 3.39Å; R506-V568 PolarHBondContact NH1-O 3.15Å; A507-V568 HydrophobicContact CB-CB 3.99Å; A507-V568 HydrophobicContact CB-CG2 4.23Å; A507-V568 PolarHBondContact N-O 2.91Å; A507-V568 PolarHBondContact O-N 3.04Å; L509-V568 HydrophobicContact CD1-CG2 4.1Å; L509-V568 HydrophobicContact CG-CG2 4.3Å; V546-V568 HydrophobicContact CG1-CG1 3.43Å; V546-V568 VanDerWaalsContact CG1-CG1 3.43Å; I547-V568 CarbonylContact O-C 3.55Å; I547-V568 WeakPolarHBondContact O-CA 3.46Å; L548-V568 HydrophobicContact CD2-CG2 4.3Å; L548-V568 HydrophobicContact CG-CG1 4.32Å; L548-V568 HydrophobicContact CG-CG2 4.22Å; V566-V568 HydrophobicContact CG1-CG2 4.3Å; V568-F582 HydrophobicContact CG1-CD1 3.76Å; V568-F582 HydrophobicContact CG1-CD2 4.26Å; V568-F582 HydrophobicContact CG1-CE1 3.68Å; V568-F582 HydrophobicContact CG1-CE2 4.17Å; V568-F582 HydrophobicContact CG1-CG 4.07Å; V568-F582 HydrophobicContact CG1-CZ 3.89Å; V568-L585 HydrophobicContact CG1-CD2 3.97Å
569	C	97.3	Very high	92.7	Very high	9 Å²	9	38.2 Å²	38.2	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.3	-179.2	-44	0	0	0	0	110.7	A505 R506 V546 I547	A505-C569 WeakPolarHBondContact O-CA 3.47Å; R506-C569 PolarHBondContact NH1-SG 3.43Å; V546-C569 CarbonylContact C-O 3.52Å; V546-C569 WeakPolarHBondContact CA-O 3.41Å; V546-C569 WeakPolarHBondContact CG1-O 3.26Å; I547-C569 PolarHBondContact N-O 2.87Å; I547-C569 PolarHBondContact O-N 2.85Å
570	A	96.1	Very high	93.4	Very high	2 Å²	2	45 Å²	45	2%	0.017	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	136.7	166	0	0	0	0	0	111.2	C504 A505 V546 F582	C504-A570 CarbonylContact C-O 3.57Å; C504-A570 WeakPolarHBondContact CA-O 3.2Å; A505-A570 HydrophobicContact CB-CB 4.46Å; A505-A570 PolarHBondContact N-O 2.83Å; A505-A570 PolarHBondContact O-N 3.24Å; V546-A570 HydrophobicContact CG2-CB 4.12Å; A570-F582 HydrophobicContact CB-CE1 3.66Å; A570-F582 HydrophobicContact CB-CZ 3.87Å
571	I	94.2	Very high	94.3	Very high	17 Å²	17	37.3 Å²	37.3	9%	0.087	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	123.9	173.8	-48.8	179.3	0	0	0	108.3	H502 W503 C542 L543 D544 A653 T654	H502-I571 HydrophobicContact CB-CG2 4.07Å; W503-I571 CarbonylContact O-C 3.48Å; W503-I571 WeakPolarHBondContact O-CA 3.46Å; C542-I571 CarbonylContact C-O 3.6Å; C542-I571 WeakPolarHBondContact CA-O 3.29Å; L543-I571 HydrophobicContact CB-CB 4.3Å; L543-I571 HydrophobicContact CB-CG2 4.29Å; L543-I571 HydrophobicContact CD1-CG2 3.98Å; L543-I571 HydrophobicContact CG-CG2 4.5Å; L543-I571 PolarHBondContact N-O 3.22Å; D544-I571 HydrophobicContact CB-CD1 4.4Å; I571-A653 HydrophobicContact CB-CB 4.49Å; I571-A653 HydrophobicContact CG1-CB 4.06Å; I571-A653 HydrophobicContact CG2-CB 4Å; I571-T654 HydrophobicContact CD1-CG2 4.2Å
572	I	94.1	Very high	95	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.4	-179.4	65.2	179	0	0	0	110.6	H502 W503 A505 Q574 N576 I581	H502-I572 CarbonylContact C-O 3.57Å; H502-I572 WeakPolarHBondContact CA-O 3.49Å; W503-I572 HydrophobicContact CB-CD1 4.38Å; W503-I572 HydrophobicContact CB-CG1 3.79Å; W503-I572 PolarHBondContact N-O 2.88Å; W503-I572 PolarHBondContact O-N 3.36Å; A505-I572 HydrophobicContact CB-CD1 3.94Å; A505-I572 HydrophobicContact CB-CG2 4.41Å; I572-Q574 WeakPolarHBondContact CD1-O 3.24Å; I572-Q574 WeakPolarHBondContact CG1-O 3.38Å; I572-N576 HydrophobicContact CD1-CB 4.47Å; I572-I581 HydrophobicContact CD1-CD1 3.87Å; I572-I581 HydrophobicContact CG2-CD1 4.23Å
573	K	91.2	Very high	95.4	Very high	123 Å²	123	33.4 Å²	33.4	54%	0.535	16%	0.16	S	C	.	.	S	Bend	trans	-73.7	-32.4	-178.2	-65.8	-177.3	-178.1	176.6	0	114	L543	L543-K573 HydrophobicContact CD1-CG 4.14Å; L543-K573 HydrophobicContact CD2-CD 4.26Å; L543-K573 VanDerWaalsContact CD2-CE 3.46Å; L543-K573 HydrophobicContact CD2-CG 3.8Å; L543-K573 HydrophobicContact CG-CG 4.2Å
574	Q	91.5	Very high	95.3	Very high	131 Å²	131	35.4 Å²	35.4	61%	0.612	17%	0.172	S	C	*	.	S	Bend	trans	-141.5	145.9	-173.6	-68.9	-63	-49.1	0	0	108.9	I572 N576	I572-Q574 WeakPolarHBondContact CD1-O 3.24Å; I572-Q574 WeakPolarHBondContact CG1-O 3.38Å; Q574-N576 PolarHBondContact O-N 2.86Å
575	P	91.7	Very high	95.2	Very high	40 Å²	40	35.1 Å²	35.1	26%	0.26	17%	0.171	S	C	.	.			trans	-65.1	136.1	-177.8	28.9	-32.4	0	0	0	109.9	W503	W503-P575 HydrophobicContact CD2-CB 3.74Å; W503-P575 HydrophobicContact CD2-CG 4.16Å; W503-P575 HydrophobicContact CE3-CB 3.84Å; W503-P575 HydrophobicContact CG-CB 4.24Å; W503-P575 HydrophobicContact CH2-CB 4.33Å; W503-P575 HydrophobicContact CH2-CG 4.36Å; W503-P575 HydrophobicContact CZ2-CB 4.26Å; W503-P575 HydrophobicContact CZ2-CG 3.95Å; W503-P575 HydrophobicContact CZ3-CB 4.13Å
576	N	92.4	Very high	95.1	Very high	63 Å²	63	35.1 Å²	35.1	34%	0.337	17%	0.171	S	C	.	.			trans	-154.2	165.8	-177.6	-163.3	-10.9	0	0	0	109	I572 Q574 P578 I581 C620	I572-N576 HydrophobicContact CD1-CB 4.47Å; Q574-N576 PolarHBondContact O-N 2.86Å; N576-P578 WeakPolarHBondContact O-CD 3.39Å; N576-P578 VanDerWaalsContact O-N 3.13Å; N576-I581 HydrophobicContact CB-CD1 4.15Å; N576-C620 PolarHBondContact O-SG 3.25Å
577	D	95	Very high	94.8	Very high	39 Å²	39	39.7 Å²	39.7	21%	0.209	20%	0.196	C	C	.	.			trans	-62.2	109	-179.2	-179.7	-5	0	0	0	111.7	K579 K580 I581	D577-K579 PolarHBondContact O-N 3.44Å; D577-K579 VanDerWaalsContact OD1-CB 3.29Å; D577-K579 WeakPolarHBondContact OD1-CB 3.47Å; D577-K579 PolarHBondContact OD1-N 3.29Å; D577-K580 HydrophobicContact CB-CB 4.35Å; D577-K580 HydrophobicContact CB-CD 4.05Å; D577-K580 HydrophobicContact CB-CG 4.24Å; D577-K580 PolarHBondContact O-N 2.89Å; D577-K580 WeakPolarHBondContact OD2-CD 3.29Å; D577-K580 VanDerWaalsContact OD2-CE 3.23Å; D577-K580 WeakPolarHBondContact OD2-CE 3.3Å; D577-K580 WeakPolarHBondContact OD2-CG 3.44Å; D577-K580 IonicContact OD2-NZ 2.89Å; D577-I581 PolarHBondContact O-N 3.49Å
578	P	96.9	Very high	94.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-28.9	-177.7	-18.5	31.6	0	0	0	112.7	A505 R506 N576 K580 I581 F582 Y618 F619	A505-P578 HydrophobicContact CB-CB 4.15Å; A505-P578 HydrophobicContact CB-CG 4.36Å; R506-P578 WeakPolarHBondContact O-CB 3.45Å; N576-P578 WeakPolarHBondContact O-CD 3.39Å; N576-P578 VanDerWaalsContact O-N 3.13Å; P578-K580 VanDerWaalsContact C-N 3.31Å; P578-K580 PolarHBondContact O-N 2.83Å; P578-I581 PolarHBondContact O-N 3.47Å; P578-F582 HydrophobicContact CB-CD2 4.03Å; P578-F582 HydrophobicContact CB-CE2 3.82Å; P578-F582 WeakPolarHBondContact O-CB 3.34Å; P578-F582 WeakPolarHBondContact O-CD2 3.3Å; P578-F582 WeakPolarHBondContact O-CG 3.39Å; P578-F582 PolarHBondContact O-N 2.95Å; P578-Y618 HydrophobicContact CB-CD1 4.45Å; P578-F619 VanDerWaalsContact CG-C 3.5Å; P578-F619 WeakPolarHBondContact CG-O 3.43Å
579	K	96.5	Very high	94.4	Very high	62 Å²	62	43.6 Å²	43.6	27%	0.27	21%	0.211	S	C	.	.	H	α-helix	trans	-60.8	-44.4	177	-178.1	171.7	174.3	164.7	0	110.2	E92 D577 F582 Q583 Y618	E92-K579 IonicContact OE1-NZ 3.01Å; E92-K579 PolarHBondContact OE1-NZ 2.99Å; E92-K579 WeakPolarHBondContact OE2-CE 2.91Å; E92-K579 IonicContact OE2-NZ 2.75Å; E92-K579 PolarHBondContact OE2-NZ 2.93Å; D577-K579 PolarHBondContact O-N 3.44Å; D577-K579 VanDerWaalsContact OD1-CB 3.29Å; D577-K579 WeakPolarHBondContact OD1-CB 3.47Å; D577-K579 PolarHBondContact OD1-N 3.29Å; K579-F582 PolarHBondContact O-N 2.89Å; K579-Q583 WeakPolarHBondContact O-CB 3.49Å; K579-Q583 PolarHBondContact O-N 2.91Å; K579-Y618 HydrophobicContact CB-CD1 3.99Å; K579-Y618 HydrophobicContact CB-CD2 4.05Å; K579-Y618 HydrophobicContact CB-CE1 4.14Å; K579-Y618 HydrophobicContact CB-CE2 4.19Å; K579-Y618 HydrophobicContact CB-CG 3.95Å; K579-Y618 HydrophobicContact CD-CD2 4.33Å; K579-Y618 HydrophobicContact CD-CE2 3.99Å; K579-Y618 HydrophobicContact CG-CD2 4.4Å; K579-Y618 HydrophobicContact CG-CE1 4.34Å; K579-Y618 HydrophobicContact CG-CE2 4.06Å
580	K	94.8	Very high	94.3	Very high	142 Å²	142	43.3 Å²	43.3	62%	0.617	21%	0.208	S	C	*	.	H	α-helix	trans	-67.1	-38.6	176.2	-69.3	177	-170.3	167	0	112.8	D577 P578	D577-K580 HydrophobicContact CB-CB 4.35Å; D577-K580 HydrophobicContact CB-CD 4.05Å; D577-K580 HydrophobicContact CB-CG 4.24Å; D577-K580 PolarHBondContact O-N 2.89Å; D577-K580 WeakPolarHBondContact OD2-CD 3.29Å; D577-K580 VanDerWaalsContact OD2-CE 3.23Å; D577-K580 WeakPolarHBondContact OD2-CE 3.3Å; D577-K580 WeakPolarHBondContact OD2-CG 3.44Å; D577-K580 IonicContact OD2-NZ 2.89Å; P578-K580 VanDerWaalsContact C-N 3.31Å; P578-K580 PolarHBondContact O-N 2.83Å
581	I	95.3	Very high	94.2	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-47.4	177	-66.4	166.4	0	0	0	110	A505 I572 N576 D577 P578	A505-I581 HydrophobicContact CB-CD1 3.92Å; I572-I581 HydrophobicContact CD1-CD1 3.87Å; I572-I581 HydrophobicContact CG2-CD1 4.23Å; N576-I581 HydrophobicContact CB-CD1 4.15Å; D577-I581 PolarHBondContact O-N 3.49Å; P578-I581 PolarHBondContact O-N 3.47Å
582	F	96.9	Very high	93.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-85.9	-15.3	-173.5	-60.4	-48.5	0	0	0	114.3	A505 A507 V546 V568 A570 P578 K579 P584 L585 L586	A505-F582 HydrophobicContact CB-CE2 4.12Å; A505-F582 HydrophobicContact CB-CZ 3.86Å; A505-F582 WeakPolarHBondContact O-CZ 3.31Å; A507-F582 HydrophobicContact CB-CD2 3.79Å; A507-F582 HydrophobicContact CB-CE2 4.07Å; V546-F582 HydrophobicContact CG1-CD1 4.05Å; V546-F582 HydrophobicContact CG1-CE1 3.64Å; V546-F582 HydrophobicContact CG2-CE1 4.21Å; V568-F582 HydrophobicContact CG1-CD1 3.76Å; V568-F582 HydrophobicContact CG1-CD2 4.26Å; V568-F582 HydrophobicContact CG1-CE1 3.68Å; V568-F582 HydrophobicContact CG1-CE2 4.17Å; V568-F582 HydrophobicContact CG1-CG 4.07Å; V568-F582 HydrophobicContact CG1-CZ 3.89Å; A570-F582 HydrophobicContact CB-CE1 3.66Å; A570-F582 HydrophobicContact CB-CZ 3.87Å; P578-F582 HydrophobicContact CB-CD2 4.03Å; P578-F582 HydrophobicContact CB-CE2 3.82Å; P578-F582 WeakPolarHBondContact O-CB 3.34Å; P578-F582 WeakPolarHBondContact O-CD2 3.3Å; P578-F582 WeakPolarHBondContact O-CG 3.39Å; P578-F582 PolarHBondContact O-N 2.95Å; K579-F582 PolarHBondContact O-N 2.89Å; F582-P584 VanDerWaalsContact C-CD 3.45Å; F582-P584 VanDerWaalsContact O-N 3.14Å; F582-L585 HydrophobicContact CD1-CD2 4.22Å; F582-L585 WeakPolarHBondContact O-CA 3.5Å; F582-L585 VanDerWaalsContact O-CB 3.3Å; F582-L585 WeakPolarHBondContact O-CB 3.27Å; F582-L585 PolarHBondContact O-N 3.23Å; F582-L586 HydrophobicContact CB-CD1 4.2Å; F582-L586 HydrophobicContact CB-CG 4.08Å; F582-L586 WeakPolarHBondContact O-CG 3.2Å; F582-L586 PolarHBondContact O-N 3.42Å
583	Q	95.1	Very high	93.5	Very high	56 Å²	56	50.6 Å²	50.6	26%	0.262	25%	0.245	S	C	.	.	H	α-helix	trans	-49.6	-45	-174.8	-164.5	65.8	48.6	0	0	114.9	K579 L585 L586 N587	K579-Q583 WeakPolarHBondContact O-CB 3.49Å; K579-Q583 PolarHBondContact O-N 2.91Å; Q583-L585 VanDerWaalsContact C-N 3.33Å; Q583-L585 PolarHBondContact O-N 3.04Å; Q583-L586 PolarHBondContact O-N 2.82Å; Q583-N587 PolarHBondContact NE2-OD1 2.73Å; Q583-N587 WeakPolarHBondContact O-CB 3.3Å; Q583-N587 PolarHBondContact O-N 3.02Å; Q583-N587 PolarHBondContact O-OD1 2.96Å
584	P	92.9	Very high	92.9	Very high	41 Å²	41	47.8 Å²	47.8	27%	0.266	24%	0.236	S	C	.	.	H	α-helix	trans	-64.9	-37.1	179.1	-19.6	33	0	0	0	112.9	F532 Q538 F582 R588	F532-P584 HydrophobicContact CE1-CB 4.1Å; F532-P584 HydrophobicContact CE1-CG 4.5Å; Q538-P584 HydrophobicContact CG-CG 4.24Å; F582-P584 VanDerWaalsContact C-CD 3.45Å; F582-P584 VanDerWaalsContact O-N 3.14Å; P584-R588 WeakPolarHBondContact O-CB 3.45Å; P584-R588 PolarHBondContact O-N 3.22Å
585	L	94.4	Very high	91.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-47.6	173.8	168.4	80.7	0	0	0	110.1	Y530 F532 V546 L548 V568 F582 Q583 N587 R588 L589	Y530-L585 HydrophobicContact CD1-CD1 3.37Å; Y530-L585 HydrophobicContact CD2-CD1 3.56Å; Y530-L585 HydrophobicContact CE1-CB 4.47Å; Y530-L585 HydrophobicContact CE1-CD1 3.73Å; Y530-L585 HydrophobicContact CE2-CD1 3.91Å; Y530-L585 HydrophobicContact CG-CD1 3.27Å; F532-L585 HydrophobicContact CE1-CB 3.87Å; F532-L585 HydrophobicContact CZ-CB 4.06Å; V546-L585 HydrophobicContact CB-CD2 4.39Å; V546-L585 HydrophobicContact CG1-CD2 3.78Å; L548-L585 HydrophobicContact CD1-CD1 4.31Å; L548-L585 HydrophobicContact CD1-CD2 4.17Å; L548-L585 HydrophobicContact CD2-CD2 4.44Å; V568-L585 HydrophobicContact CG1-CD2 3.97Å; F582-L585 HydrophobicContact CD1-CD2 4.22Å; F582-L585 WeakPolarHBondContact O-CA 3.5Å; F582-L585 VanDerWaalsContact O-CB 3.3Å; F582-L585 WeakPolarHBondContact O-CB 3.27Å; F582-L585 PolarHBondContact O-N 3.23Å; Q583-L585 VanDerWaalsContact C-N 3.33Å; Q583-L585 PolarHBondContact O-N 3.04Å; L585-N587 VanDerWaalsContact C-N 3.35Å; L585-N587 PolarHBondContact O-N 3.04Å; L585-R588 WeakPolarHBondContact O-CA 3.44Å; L585-R588 WeakPolarHBondContact O-CB 3.44Å; L585-R588 PolarHBondContact O-N 3.5Å; L585-L589 HydrophobicContact CD1-CD1 3.47Å; L585-L589 VanDerWaalsContact CD1-CD1 3.47Å; L585-L589 HydrophobicContact CD1-CG 4.11Å; L585-L589 HydrophobicContact CG-CD1 4.13Å; L585-L589 PolarHBondContact O-N 2.91Å
586	L	96.1	Very high	90.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-45.4	-178	-64	-179	0	0	0	111.2	L509 F582 Q583 R588 L589 F590 M613 Y618	L509-L586 HydrophobicContact CD1-CD2 3.62Å; L509-L586 HydrophobicContact CD2-CD2 4.28Å; F582-L586 HydrophobicContact CB-CD1 4.2Å; F582-L586 HydrophobicContact CB-CG 4.08Å; F582-L586 WeakPolarHBondContact O-CG 3.2Å; F582-L586 PolarHBondContact O-N 3.42Å; Q583-L586 PolarHBondContact O-N 2.82Å; L586-R588 PolarHBondContact O-N 3.01Å; L586-R588 VanDerWaalsContact O-N 3.16Å; L586-L589 PolarHBondContact O-N 3.2Å; L586-F590 HydrophobicContact CD2-CD2 3.81Å; L586-F590 HydrophobicContact CD2-CE2 4.01Å; L586-F590 WeakPolarHBondContact O-CA 3.4Å; L586-F590 PolarHBondContact O-N 2.74Å; L586-M613 HydrophobicContact CD1-SD 4.48Å; L586-M613 HydrophobicContact CD2-SD 4.24Å; L586-Y618 HydrophobicContact CD1-CE1 4.1Å; L586-Y618 WeakPolarHBondContact CD1-OH 3.38Å
587	N	92.6	Very high	88.6	Confident	97 Å²	97	51.7 Å²	51.7	52%	0.519	26%	0.262	S	S	.	.	H	α-helix	trans	-62.6	-21.8	175.7	-68	-7.3	0	0	0	113.5	Q583 L585 R610	Q583-N587 PolarHBondContact NE2-OD1 2.73Å; Q583-N587 WeakPolarHBondContact O-CB 3.3Å; Q583-N587 PolarHBondContact O-N 3.02Å; Q583-N587 PolarHBondContact O-OD1 2.96Å; L585-N587 VanDerWaalsContact C-N 3.35Å; L585-N587 PolarHBondContact O-N 3.04Å; N587-R610 PolarHBondContact O-NH1 3.27Å
588	R	92	Very high	86.5	Confident	79 Å²	79	52.1 Å²	52.1	30%	0.298	27%	0.266	S	S	.	.	H	α-helix	trans	-88.2	-37.3	-178.8	-163.9	84.8	-179.9	163.5	11.5	112	Y238 N241 P584 L585 L586 R610	Y238-R588 HydrophobicContact CE1-CG 3.96Å; Y238-R588 HydrophobicContact CE2-CG 4.21Å; Y238-R588 VanDerWaalsContact OH-CZ 3.22Å; Y238-R588 PolarHBondContact OH-NE 3.18Å; Y238-R588 PolarHBondContact OH-NH2 3.17Å; N241-R588 PolarHBondContact OD1-NH2 2.86Å; P584-R588 WeakPolarHBondContact O-CB 3.45Å; P584-R588 PolarHBondContact O-N 3.22Å; L585-R588 WeakPolarHBondContact O-CA 3.44Å; L585-R588 WeakPolarHBondContact O-CB 3.44Å; L585-R588 PolarHBondContact O-N 3.5Å; L586-R588 PolarHBondContact O-N 3.01Å; L586-R588 VanDerWaalsContact O-N 3.16Å; R588-R610 PolarHBondContact O-NE 2.93Å; R588-R610 PolarHBondContact O-NH2 3.33Å
589	L	95.1	Very high	83.6	Confident	6 Å²	6	56.8 Å²	56.8	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-103.1	-27.9	-172.2	-64.3	-175.8	0	0	0	113.7	Y238 V268 L515 L528 L548 L585 L586 R610 P611	Y238-L589 HydrophobicContact CD2-CD2 3.41Å; Y238-L589 VanDerWaalsContact CD2-CD2 3.41Å; Y238-L589 HydrophobicContact CE2-CD2 3.74Å; Y238-L589 HydrophobicContact CG-CD2 4.2Å; V268-L589 HydrophobicContact CG2-CD2 3.96Å; L515-L589 HydrophobicContact CD2-CB 4.29Å; L515-L589 HydrophobicContact CD2-CD1 4.48Å; L528-L589 HydrophobicContact CD2-CD1 3.64Å; L528-L589 HydrophobicContact CD2-CD2 4.44Å; L548-L589 HydrophobicContact CD2-CD1 3.78Å; L585-L589 HydrophobicContact CD1-CD1 3.47Å; L585-L589 VanDerWaalsContact CD1-CD1 3.47Å; L585-L589 HydrophobicContact CD1-CG 4.11Å; L585-L589 HydrophobicContact CG-CD1 4.13Å; L585-L589 PolarHBondContact O-N 2.91Å; L586-L589 PolarHBondContact O-N 3.2Å; L589-R610 WeakPolarHBondContact O-CB 3.35Å; L589-P611 WeakPolarHBondContact O-CD 3.45Å
590	F	96	Very high	80.8	Confident	3 Å²	3	58.7 Å²	58.7	1%	0.013	32%	0.318	C	S	.	.			trans	-124.6	165.6	-172.7	-55.2	-83.3	0	0	0	111.3	L509 T511 L515 L548 V566 L586 P611 M613	L509-F590 HydrophobicContact CD1-CD2 4.06Å; L509-F590 HydrophobicContact CD1-CE1 4.2Å; L509-F590 HydrophobicContact CD1-CE2 3.62Å; L509-F590 HydrophobicContact CD1-CZ 3.7Å; T511-F590 HydrophobicContact CG2-CD1 3.85Å; T511-F590 HydrophobicContact CG2-CE1 3.8Å; L515-F590 HydrophobicContact CD2-CE1 3.69Å; L515-F590 HydrophobicContact CD2-CE2 4.34Å; L515-F590 HydrophobicContact CD2-CZ 3.55Å; L515-F590 HydrophobicContact CG-CE1 4.37Å; L515-F590 HydrophobicContact CG-CZ 4.32Å; L548-F590 HydrophobicContact CD2-CE2 4.06Å; L548-F590 HydrophobicContact CD2-CZ 4.13Å; V566-F590 HydrophobicContact CG1-CZ 4.29Å; V566-F590 HydrophobicContact CG2-CE1 4.44Å; V566-F590 HydrophobicContact CG2-CZ 4.49Å; L586-F590 HydrophobicContact CD2-CD2 3.81Å; L586-F590 HydrophobicContact CD2-CE2 4.01Å; L586-F590 WeakPolarHBondContact O-CA 3.4Å; L586-F590 PolarHBondContact O-N 2.74Å; F590-P611 CarbonylContact C-O 3.59Å; F590-P611 WeakPolarHBondContact CA-O 3.27Å; F590-P611 HydrophobicContact CD1-CB 3.97Å; F590-P611 HydrophobicContact CD1-CG 4.2Å; F590-P611 HydrophobicContact CE1-CB 4.33Å; F590-P611 HydrophobicContact CE1-CG 4.3Å; F590-M613 HydrophobicContact CB-CE 4.34Å; F590-M613 HydrophobicContact CB-CG 3.77Å; F590-M613 HydrophobicContact CB-SD 3.89Å; F590-M613 HydrophobicContact CD1-CG 4.25Å; F590-M613 HydrophobicContact CG-CG 4.07Å; F590-M613 HydrophobicContact CG-SD 4.2Å
591	T	93	Very high	78.1	Confident	56 Å²	56	55.9 Å²	55.9	34%	0.344	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	158.1	164	49.6	0	0	0	0	109.1	R610 P611 R612 M613	T591-R610 HydrophobicContact CG2-CB 4.17Å; T591-P611 PolarHBondContact N-O 3.35Å; T591-R612 CarbonylContact O-C 3.6Å; T591-R612 VanDerWaalsContact O-CA 3.28Å; T591-R612 WeakPolarHBondContact O-CA 3.48Å; T591-R612 WeakPolarHBondContact OG1-CG 3.12Å; T591-M613 PolarHBondContact O-N 3.19Å
592	Q	89	Confident	75.2	Confident	108 Å²	108	60.9 Å²	60.9	51%	0.505	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	149.3	170	-69.4	179.1	-21.5	0	0	109.2	F94 M613	F94-Q592 HydrophobicContact CD1-CB 4.26Å; F94-Q592 HydrophobicContact CD1-CG 3.95Å; F94-Q592 HydrophobicContact CE1-CG 3.92Å; Q592-M613 HydrophobicContact CG-CE 4Å
593	Y	84.9	Confident	72.2	Confident	12 Å²	12	65.4 Å²	65.4	5%	0.047	38%	0.383	C	S	.	.			trans	-68.4	135.5	169	-164.9	-96.9	0	0	0	109.8	L95 L186 W187 N595 R612 M613 L614	L95-Y593 HydrophobicContact CD2-CD1 3.4Å; L95-Y593 VanDerWaalsContact CD2-CD1 3.4Å; L95-Y593 HydrophobicContact CD2-CE1 3.47Å; L95-Y593 VanDerWaalsContact CD2-CE1 3.47Å; L95-Y593 HydrophobicContact CD2-CG 3.92Å; L186-Y593 VanDerWaalsContact CA-OH 3.29Å; L186-Y593 WeakPolarHBondContact CA-OH 3.49Å; L186-Y593 WeakPolarHBondContact CD2-OH 3.21Å; W187-Y593 PolarHBondContact N-OH 2.9Å; Y593-N595 WeakPolarHBondContact CE1-OD1 3.46Å; Y593-R612 HydrophobicContact CD2-CB 4.02Å; Y593-M613 VanDerWaalsContact CB-O 3.3Å; Y593-M613 WeakPolarHBondContact CB-O 3.5Å; Y593-M613 PolarHBondContact N-O 2.77Å; Y593-L614 HydrophobicContact CD2-CD2 3.21Å; Y593-L614 HydrophobicContact CE2-CD2 3.62Å; Y593-L614 HydrophobicContact CG-CD2 3.74Å
594	D	78.4	Confident	69.3	Low	64 Å²	64	68.1 Å²	68.1	34%	0.342	40%	0.4	S	S	.	.			trans	-138.4	125.8	177.7	171	22.6	0	0	0	107.7	D596 T597	D594-D596 VanDerWaalsContact C-N 3.27Å; D594-D596 PolarHBondContact OD1-N 2.97Å; D594-T597 WeakPolarHBondContact CB-OG1 3.28Å; D594-T597 VanDerWaalsContact OD2-CG2 3.26Å; D594-T597 WeakPolarHBondContact OD2-CG2 3.33Å; D594-T597 PolarHBondContact OD2-OG1 3.02Å
595	N	67.7	Low	66.5	Low	80 Å²	80	74.8 Å²	74.8	43%	0.428	43%	0.427	S	S	.	.	S	Bend	trans	-68.7	-29.6	-178.5	-74.2	-22.8	0	0	0	111.4	Y593	Y593-N595 WeakPolarHBondContact CE1-OD1 3.46Å
596	D	62.6	Low	64.1	Low	146 Å²	146	78.2 Å²	78.2	78%	0.781	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-19.1	-169.5	-65.9	-24.4	0	0	0	112.8	D594	D594-D596 VanDerWaalsContact C-N 3.27Å; D594-D596 PolarHBondContact OD1-N 2.97Å
597	T	55.5	Low	61.9	Low	91 Å²	91	84 Å²	84	56%	0.558	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	18	-173.2	39.1	0	0	0	0	115.2	D594 S599	D594-T597 WeakPolarHBondContact CB-OG1 3.28Å; D594-T597 VanDerWaalsContact OD2-CG2 3.26Å; D594-T597 WeakPolarHBondContact OD2-CG2 3.33Å; D594-T597 PolarHBondContact OD2-OG1 3.02Å; T597-S599 PolarHBondContact O-N 3.34Å
598	V	51.4	Low	60.4	Low	47 Å²	47	83.8 Å²	83.8	29%	0.285	49%	0.485	S	S	.	.			trans	-74.9	58.2	167.8	-165.5	0	0	0	0	110.5	L186	L186-V598 HydrophobicContact CD2-CG2 3.72Å; L186-V598 HydrophobicContact CG-CG2 4.48Å
599	S	36.2	Very low	59.7	Low	98 Å²	98	85.7 Å²	85.7	69%	0.685	50%	0.496	S	S	*	.			trans	-84.8	131.6	168.5	-73	0	0	0	0	109.6	T597 A601	T597-S599 PolarHBondContact O-N 3.34Å; S599-A601 PolarHBondContact O-N 3.32Å
600	P	38.1	Very low	59.5	Low	103 Å²	103	88.2 Å²	88.2	67%	0.669	51%	0.505	S	S	*	.			trans	-69.2	118.4	-177.4	27	-31.1	0	0	0	109.9	V181 S602	V181-P600 HydrophobicContact CG1-CB 4.32Å; P600-S602 PolarHBondContact O-N 3.18Å
601	A	36.1	Very low	59.4	Low	83 Å²	83	88.2 Å²	88.2	69%	0.686	51%	0.505	S	S	*	.			trans	40.9	69	156.3	0	0	0	0	0	116	S599 V603	S599-A601 PolarHBondContact O-N 3.32Å; A601-V603 VanDerWaalsContact C-N 3.25Å; A601-V603 HydrophobicContact CB-CG2 4.28Å; A601-V603 WeakPolarHBondContact O-CG2 3.31Å; A601-V603 PolarHBondContact O-N 2.99Å
602	S	35.5	Very low	59.5	Low	108 Å²	108	86.2 Å²	86.2	76%	0.755	49%	0.492	S	S	*	.			trans	-69.3	98.1	146.6	61.3	0	0	0	0	106.7	P600 N604	P600-S602 PolarHBondContact O-N 3.18Å; S602-N604 PolarHBondContact O-N 3.03Å
603	V	33.4	Very low	59.9	Low	94 Å²	94	81.3 Å²	81.3	57%	0.57	47%	0.469	S	S	*	.			trans	-64.4	74.5	-177.8	-176	0	0	0	0	110	A601 Q605	A601-V603 VanDerWaalsContact C-N 3.25Å; A601-V603 HydrophobicContact CB-CG2 4.28Å; A601-V603 WeakPolarHBondContact O-CG2 3.31Å; A601-V603 PolarHBondContact O-N 2.99Å; V603-Q605 HydrophobicContact CG1-CB 4.26Å; V603-Q605 HydrophobicContact CG1-CG 3.46Å; V603-Q605 VanDerWaalsContact CG1-CG 3.46Å; V603-Q605 VanDerWaalsContact CG1-NE2 3.26Å; V603-Q605 PolarHBondContact O-N 3.34Å
604	N	35	Very low	60.4	Low	114 Å²	114	80.7 Å²	80.7	61%	0.61	47%	0.466	S	S	*	.			trans	-82.9	75.3	155.8	-75.8	-11.1	0	0	0	106.7	S602 G606 Q607	S602-N604 PolarHBondContact O-N 3.03Å; N604-G606 PolarHBondContact O-N 3.39Å; N604-Q607 PolarHBondContact O-N 3.16Å
605	Q	34.8	Very low	61.3	Low	181 Å²	181	77.7 Å²	77.7	85%	0.846	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	100.5	171.7	-90.6	165.6	24.6	0	0	108.8	V603	V603-Q605 HydrophobicContact CG1-CB 4.26Å; V603-Q605 HydrophobicContact CG1-CG 3.46Å; V603-Q605 VanDerWaalsContact CG1-CG 3.46Å; V603-Q605 VanDerWaalsContact CG1-NE2 3.26Å; V603-Q605 PolarHBondContact O-N 3.34Å
606	G	42.6	Very low	62.7	Low	72 Å²	72	73.9 Å²	73.9	74%	0.742	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.6	-10.2	172.3	0	0	0	0	0	116.4	N604	N604-G606 PolarHBondContact O-N 3.39Å
607	Q	49.7	Very low	64.4	Low	123 Å²	123	66.9 Å²	66.9	58%	0.575	39%	0.392	S	S	*	.			trans	-95	111.6	172.5	-73.5	-173.5	-11.7	0	0	110.3	N604 K609	N604-Q607 PolarHBondContact O-N 3.16Å; Q607-K609 PolarHBondContact O-N 3.15Å; Q607-K609 VanDerWaalsContact O-N 3.11Å
608	H	60.8	Low	66.5	Low	92 Å²	92	62.7 Å²	62.7	43%	0.426	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-57.1	116.9	172.3	-68	-80.7	0	0	0	109.7	D518 R610	D518-H608 IonicContact OD1-CE1 3.89Å; D518-H608 IonicContact OD1-ND1 2.8Å; D518-H608 IonicContact OD2-CE1 3.13Å; D518-H608 PolarHBondContact OD2-CE1 3.42Å; D518-H608 VanDerWaalsContact OD2-CE1 3.23Å; H608-R610 PolarHBondContact O-N 3.32Å
609	K	78.5	Confident	68.7	Low	118 Å²	118	60.4 Å²	60.4	51%	0.513	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-68.4	122.2	175.6	-171.6	178.4	179.1	178.7	0	108.6	Q607	Q607-K609 PolarHBondContact O-N 3.15Å; Q607-K609 VanDerWaalsContact O-N 3.11Å
610	R	90.5	Very high	71.5	Confident	59 Å²	59	55.8 Å²	55.8	22%	0.223	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-63.5	146.1	173.6	-68.5	175.7	-175.7	178.5	-9.4	110.4	N587 R588 L589 T591 H608	N587-R610 PolarHBondContact O-NH1 3.27Å; R588-R610 PolarHBondContact O-NE 2.93Å; R588-R610 PolarHBondContact O-NH2 3.33Å; L589-R610 WeakPolarHBondContact O-CB 3.35Å; T591-R610 HydrophobicContact CG2-CB 4.17Å; H608-R610 PolarHBondContact O-N 3.32Å
611	P	94.6	Very high	74.2	Confident	4 Å²	4	51 Å²	51	3%	0.026	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-65.6	143.8	176.7	-18.1	31.2	0	0	0	112.3	T511 S513 S514 L589 F590 T591	T511-P611 HydrophobicContact CG2-CB 4.23Å; S513-P611 VanDerWaalsContact O-CB 3.31Å; S513-P611 WeakPolarHBondContact O-CB 3.39Å; S513-P611 VanDerWaalsContact OG-CA 3.25Å; S513-P611 WeakPolarHBondContact OG-CA 3.29Å; S513-P611 WeakPolarHBondContact OG-CB 3.36Å; S514-P611 WeakPolarHBondContact O-CG 3.38Å; L589-P611 WeakPolarHBondContact O-CD 3.45Å; F590-P611 CarbonylContact C-O 3.59Å; F590-P611 WeakPolarHBondContact CA-O 3.27Å; F590-P611 HydrophobicContact CD1-CB 3.97Å; F590-P611 HydrophobicContact CD1-CG 4.2Å; F590-P611 HydrophobicContact CE1-CB 4.33Å; F590-P611 HydrophobicContact CE1-CG 4.3Å; T591-P611 PolarHBondContact N-O 3.35Å
612	R	94.5	Very high	77	Confident	14 Å²	14	47.2 Å²	47.2	5%	0.053	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.2	174.5	-62.5	179.1	-67.6	175.1	3.6	109.3	T511 D512 T591 Y593	T511-R612 VanDerWaalsContact CA-O 3.27Å; T511-R612 WeakPolarHBondContact CA-O 3.28Å; D512-R612 PolarHBondContact N-O 3.16Å; D512-R612 WeakPolarHBondContact OD1-CA 3.28Å; D512-R612 WeakPolarHBondContact OD1-CB 3.2Å; D512-R612 PolarHBondContact OD1-N 3Å; D512-R612 IonicContact OD2-CZ 2.96Å; D512-R612 IonicContact OD2-NE 3.4Å; D512-R612 PolarHBondContact OD2-NE 2.99Å; D512-R612 IonicContact OD2-NH2 3.16Å; D512-R612 PolarHBondContact OD2-NH2 3.41Å; T591-R612 CarbonylContact O-C 3.6Å; T591-R612 VanDerWaalsContact O-CA 3.28Å; T591-R612 WeakPolarHBondContact O-CA 3.48Å; T591-R612 WeakPolarHBondContact OG1-CG 3.12Å; Y593-R612 HydrophobicContact CD2-CB 4.02Å
613	M	96.4	Very high	79.7	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.02	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.7	172.5	-59.4	178.4	-60.2	0	0	109.4	F94 L509 T511 L586 F590 T591 Q592 Y593	F94-M613 WeakPolarHBondContact CB-O 3.5Å; F94-M613 HydrophobicContact CD2-CB 3.69Å; F94-M613 VanDerWaalsContact CD2-O 3.28Å; F94-M613 WeakPolarHBondContact CD2-O 3.26Å; F94-M613 HydrophobicContact CE1-CE 4.49Å; F94-M613 HydrophobicContact CE2-CB 3.68Å; F94-M613 HydrophobicContact CE2-CE 4.26Å; F94-M613 WeakPolarHBondContact CG-O 3.46Å; F94-M613 HydrophobicContact CZ-CB 4.48Å; F94-M613 HydrophobicContact CZ-CE 4.01Å; L509-M613 HydrophobicContact CD1-SD 4.25Å; L509-M613 HydrophobicContact CD2-SD 4.23Å; T511-M613 HydrophobicContact CG2-CG 4.31Å; L586-M613 HydrophobicContact CD1-SD 4.48Å; L586-M613 HydrophobicContact CD2-SD 4.24Å; F590-M613 HydrophobicContact CB-CE 4.34Å; F590-M613 HydrophobicContact CB-CG 3.77Å; F590-M613 HydrophobicContact CB-SD 3.89Å; F590-M613 HydrophobicContact CD1-CG 4.25Å; F590-M613 HydrophobicContact CG-CG 4.07Å; F590-M613 HydrophobicContact CG-SD 4.2Å; T591-M613 PolarHBondContact O-N 3.19Å; Q592-M613 HydrophobicContact CG-CE 4Å; Y593-M613 VanDerWaalsContact CB-O 3.3Å; Y593-M613 WeakPolarHBondContact CB-O 3.5Å; Y593-M613 PolarHBondContact N-O 2.77Å
614	L	95.9	Very high	82.4	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-34	176	-52.2	178	0	0	0	111.3	F94 L95 W187 L192 I510 D512 L563 Y593	F94-L614 PolarHBondContact N-O 3.01Å; L95-L614 HydrophobicContact CD1-CB 4.45Å; L95-L614 HydrophobicContact CD2-CD2 4.02Å; L95-L614 HydrophobicContact CG-CB 4.41Å; W187-L614 HydrophobicContact CD2-CD1 4.42Å; W187-L614 HydrophobicContact CG-CD1 4.12Å; L192-L614 HydrophobicContact CD1-CD1 3.72Å; L192-L614 HydrophobicContact CD2-CB 3.67Å; L192-L614 HydrophobicContact CD2-CD1 4.39Å; I510-L614 HydrophobicContact CG2-CD1 4.48Å; I510-L614 PolarHBondContact O-N 2.83Å; D512-L614 HydrophobicContact CB-CD1 4.31Å; D512-L614 HydrophobicContact CB-CD2 4.41Å; L563-L614 HydrophobicContact CD2-CD1 3.54Å; Y593-L614 HydrophobicContact CD2-CD2 3.21Å; Y593-L614 HydrophobicContact CE2-CD2 3.62Å; Y593-L614 HydrophobicContact CG-CD2 3.74Å
615	W	97.3	Very high	85	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	149.8	177.3	179.1	85.1	0	0	0	110.6	F50 F53 L57 S91 E92 W93 L192 V508 L509 I510	F50-W615 AromaticContact CE2-CD2 3.94Å; F50-W615 HydrophobicContact CE2-CD2 3.94Å; F50-W615 AromaticContact CE2-CE3 3.99Å; F50-W615 HydrophobicContact CE2-CE3 3.99Å; F50-W615 HydrophobicContact CE2-CH2 4.14Å; F50-W615 HydrophobicContact CE2-CZ2 4.11Å; F50-W615 HydrophobicContact CE2-CZ3 4.09Å; F50-W615 HydrophobicContact CZ-CD2 4.18Å; F50-W615 HydrophobicContact CZ-CG 4.45Å; F50-W615 HydrophobicContact CZ-CZ2 4.43Å; F53-W615 HydrophobicContact CD1-CH2 4.03Å; F53-W615 AromaticContact CE1-CH2 3.95Å; F53-W615 HydrophobicContact CE1-CH2 3.95Å; L57-W615 HydrophobicContact CD1-CH2 3.77Å; L57-W615 HydrophobicContact CD1-CZ2 3.89Å; S91-W615 VanDerWaalsContact OG-CE2 3.25Å; S91-W615 VanDerWaalsContact OG-CZ2 3.3Å; S91-W615 WeakPolarHBondContact OG-CZ2 3.22Å; S91-W615 PolarHBondContact OG-NE1 3Å; E92-W615 WeakPolarHBondContact O-CA 3.42Å; W93-W615 AromaticContact CD1-CD1 3.95Å; W93-W615 AromaticContact CD2-CD1 3.45Å; W93-W615 VanDerWaalsContact CD2-CD1 3.45Å; W93-W615 HydrophobicContact CD2-CG 4.46Å; W93-W615 AromaticContact CE2-CD1 3.34Å; W93-W615 AromaticContact CE2-NE1 3.65Å; W93-W615 HydrophobicContact CE3-CB 4.4Å; W93-W615 AromaticContact CE3-CD1 3.86Å; W93-W615 AromaticContact CG-CD1 3.85Å; W93-W615 AromaticContact CZ2-CD1 3.64Å; W93-W615 AromaticContact CZ2-NE1 3.88Å; W93-W615 HydrophobicContact CZ3-CB 4.47Å; W93-W615 AromaticContact NE1-CD1 3.67Å; W93-W615 AromaticContact NE1-NE1 3.64Å; L192-W615 HydrophobicContact CD2-CB 4.09Å; V508-W615 HydrophobicContact CB-CZ3 4.13Å; V508-W615 HydrophobicContact CG1-CZ3 4.12Å; V508-W615 WeakPolarHBondContact O-CZ3 3.48Å; L509-W615 WeakPolarHBondContact CA-O 3.41Å; I510-W615 HydrophobicContact CB-CB 4.33Å; I510-W615 HydrophobicContact CD1-CB 4.18Å; I510-W615 HydrophobicContact CD1-CD2 4.31Å; I510-W615 HydrophobicContact CD1-CE3 3.91Å; I510-W615 HydrophobicContact CD1-CG 4.46Å; I510-W615 HydrophobicContact CG1-CE3 4.06Å; I510-W615 PolarHBondContact N-O 2.94Å
616	A	98.3	Very high	87.5	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143.9	169.5	0	0	0	0	0	112.1	S91 E92 F94 V508 L509 Y618	S91-A616 CarbonylContact C-O 3.58Å; S91-A616 VanDerWaalsContact CA-O 3.31Å; S91-A616 WeakPolarHBondContact CA-O 3.5Å; S91-A616 PolarHBondContact OG-O 3.48Å; E92-A616 PolarHBondContact N-O 2.99Å; E92-A616 PolarHBondContact O-N 3.19Å; F94-A616 HydrophobicContact CE2-CB 3.81Å; F94-A616 HydrophobicContact CZ-CB 4.29Å; V508-A616 CarbonylContact O-C 3.55Å; V508-A616 VanDerWaalsContact O-CA 3.3Å; V508-A616 WeakPolarHBondContact O-CA 3.19Å; L509-A616 HydrophobicContact CD2-CB 3.68Å; A616-Y618 HydrophobicContact CB-CE2 3.68Å; A616-Y618 WeakPolarHBondContact CB-OH 3.44Å
617	G	98.3	Very high	89.6	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.3	168.4	0	0	0	0	0	110.5	S90 A507 V508	S90-G617 CarbonylContact O-C 3.58Å; S90-G617 WeakPolarHBondContact O-CA 3.29Å; A507-G617 CarbonylContact C-O 3.55Å; A507-G617 WeakPolarHBondContact CA-O 3.36Å; V508-G617 PolarHBondContact N-O 3.48Å; V508-G617 PolarHBondContact O-N 3.4Å
618	Y	98.3	Very high	91.3	Very high	2 Å²	2	19 Å²	19	1%	0.008	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.7	-176.3	-53.8	-84	0	0	0	110.5	K89 S90 R506 A507 P578 K579 L586 A616	K89-Y618 CarbonylContact C-O 3.53Å; K89-Y618 VanDerWaalsContact CA-O 3.27Å; K89-Y618 WeakPolarHBondContact CA-O 3.25Å; S90-Y618 PolarHBondContact N-O 2.85Å; S90-Y618 PolarHBondContact O-N 3.1Å; R506-Y618 WeakPolarHBondContact O-CA 3.39Å; A507-Y618 HydrophobicContact CB-CD1 3.55Å; A507-Y618 HydrophobicContact CB-CE1 3.69Å; P578-Y618 HydrophobicContact CB-CD1 4.45Å; K579-Y618 HydrophobicContact CB-CD1 3.99Å; K579-Y618 HydrophobicContact CB-CD2 4.05Å; K579-Y618 HydrophobicContact CB-CE1 4.14Å; K579-Y618 HydrophobicContact CB-CE2 4.19Å; K579-Y618 HydrophobicContact CB-CG 3.95Å; K579-Y618 HydrophobicContact CD-CD2 4.33Å; K579-Y618 HydrophobicContact CD-CE2 3.99Å; K579-Y618 HydrophobicContact CG-CD2 4.4Å; K579-Y618 HydrophobicContact CG-CE1 4.34Å; K579-Y618 HydrophobicContact CG-CE2 4.06Å; L586-Y618 HydrophobicContact CD1-CE1 4.1Å; L586-Y618 WeakPolarHBondContact CD1-OH 3.38Å; A616-Y618 HydrophobicContact CB-CE2 3.68Å; A616-Y618 WeakPolarHBondContact CB-OH 3.44Å
619	F	97.7	Very high	92.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	165.8	178.3	56	-76.4	0	0	0	111.9	F53 L57 V86 T87 K89 I203 R506 V508 P578 V621	F53-F619 HydrophobicContact CE1-CE1 4.34Å; F53-F619 HydrophobicContact CE2-CE1 4.27Å; F53-F619 HydrophobicContact CE2-CZ 4.13Å; F53-F619 HydrophobicContact CZ-CD1 4.41Å; F53-F619 AromaticContact CZ-CE1 3.49Å; F53-F619 HydrophobicContact CZ-CE1 3.49Å; F53-F619 VanDerWaalsContact CZ-CE1 3.49Å; F53-F619 AromaticContact CZ-CZ 3.77Å; F53-F619 HydrophobicContact CZ-CZ 3.77Å; L57-F619 HydrophobicContact CD2-CB 4.04Å; L57-F619 HydrophobicContact CD2-CD1 3.61Å; L57-F619 HydrophobicContact CD2-CE1 4.4Å; L57-F619 HydrophobicContact CD2-CG 4.04Å; V86-F619 HydrophobicContact CG1-CB 3.73Å; V86-F619 HydrophobicContact CG1-CD2 3.68Å; V86-F619 HydrophobicContact CG1-CG 4.03Å; T87-F619 CarbonylContact O-C 3.53Å; T87-F619 WeakPolarHBondContact O-CA 3.39Å; K89-F619 HydrophobicContact CG-CB 4.04Å; I203-F619 HydrophobicContact CG2-CE2 4.02Å; I203-F619 WeakPolarHBondContact O-CE2 3.49Å; R506-F619 WeakPolarHBondContact CA-O 3.47Å; R506-F619 HydrophobicContact CB-CD1 4.02Å; R506-F619 HydrophobicContact CB-CD2 3.85Å; R506-F619 HydrophobicContact CB-CE1 3.67Å; R506-F619 HydrophobicContact CB-CE2 3.56Å; R506-F619 HydrophobicContact CB-CG 4.09Å; R506-F619 HydrophobicContact CB-CZ 3.46Å; R506-F619 VanDerWaalsContact CB-CZ 3.46Å; R506-F619 WeakPolarHBondContact CB-O 3.25Å; R506-F619 HydrophobicContact CG-CD2 4.17Å; R506-F619 HydrophobicContact CG-CE2 3.67Å; R506-F619 HydrophobicContact CG-CZ 3.91Å; R506-F619 PolarHBondContact N-O 2.96Å; R506-F619 PolarHBondContact O-N 2.79Å; R506-F619 VanDerWaalsContact O-N 3.11Å; V508-F619 HydrophobicContact CG2-CE1 4.26Å; P578-F619 VanDerWaalsContact CG-C 3.5Å; P578-F619 WeakPolarHBondContact CG-O 3.43Å; F619-V621 HydrophobicContact CD2-CG2 3.64Å; F619-V621 HydrophobicContact CE2-CG2 3.64Å
620	C	96	Very high	92.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.3	173.2	-87.6	0	0	0	0	110.7	V86 T87 H88 W503 C504 N576	V86-C620 WeakPolarHBondContact CA-O 3.47Å; T87-C620 PolarHBondContact N-O 3.35Å; T87-C620 PolarHBondContact O-N 2.81Å; T87-C620 WeakPolarHBondContact OG1-CB 3.23Å; H88-C620 HydrophobicContact CB-CB 4.47Å; W503-C620 HydrophobicContact CE3-CB 4.1Å; C504-C620 WeakPolarHBondContact O-CA 3.47Å; N576-C620 PolarHBondContact O-SG 3.25Å
621	V	95	Very high	92	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.012	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.8	175	-171.4	0	0	0	0	108.5	V44 V86 I203 V204 W503 C504 R506 F619	V44-V621 HydrophobicContact CB-CG1 3.97Å; V44-V621 HydrophobicContact CG1-CG1 4.01Å; V44-V621 HydrophobicContact CG2-CG1 4.48Å; V86-V621 HydrophobicContact CG2-CG2 4.43Å; I203-V621 HydrophobicContact CG2-CG2 3.94Å; V204-V621 HydrophobicContact CG2-CB 4.08Å; V204-V621 HydrophobicContact CG2-CG1 3.85Å; V204-V621 HydrophobicContact CG2-CG2 4.08Å; W503-V621 CarbonylContact C-O 3.57Å; W503-V621 WeakPolarHBondContact CA-O 3.49Å; W503-V621 VanDerWaalsContact CE3-C 3.47Å; C504-V621 PolarHBondContact N-O 3.33Å; C504-V621 PolarHBondContact O-N 3.37Å; R506-V621 HydrophobicContact CG-CG2 4.39Å; F619-V621 HydrophobicContact CD2-CG2 3.64Å; F619-V621 HydrophobicContact CE2-CG2 3.64Å
622	P	93.8	Very high	90.9	Very high	5 Å²	5	11.7 Å²	11.7	3%	0.032	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	150.8	178.4	29.1	-34	0	0	0	111.7	L85 I500 W503 L624	L85-P622 HydrophobicContact CB-CG 3.8Å; L85-P622 HydrophobicContact CD1-CG 4.04Å; L85-P622 HydrophobicContact CG-CG 4.42Å; L85-P622 VanDerWaalsContact O-CD 3.32Å; L85-P622 WeakPolarHBondContact O-CD 3.48Å; I500-P622 HydrophobicContact CD1-CB 3.78Å; I500-P622 HydrophobicContact CD1-CG 4.44Å; I500-P622 HydrophobicContact CG1-CB 4.22Å; I500-P622 HydrophobicContact CG2-CB 3.67Å; W503-P622 HydrophobicContact CD2-CB 4.07Å; W503-P622 HydrophobicContact CE3-CB 3.89Å; W503-P622 HydrophobicContact CH2-CB 3.87Å; W503-P622 HydrophobicContact CH2-CG 4.32Å; W503-P622 HydrophobicContact CZ2-CB 4.03Å; W503-P622 HydrophobicContact CZ3-CB 3.79Å; W503-P622 HydrophobicContact CZ3-CG 4.13Å; P622-L624 HydrophobicContact CB-CD2 4.22Å; P622-L624 HydrophobicContact CG-CD2 3.94Å; P622-L624 HydrophobicContact CG-CG 4.18Å; P622-L624 PolarHBondContact O-N 3.48Å
623	D	92.5	Very high	89.7	Confident	9 Å²	9	14.5 Å²	14.5	5%	0.048	9%	0.09	C	C	.	.			trans	-75.3	117.4	163.2	-170.7	-46.5	0	0	0	108.9	H502 S625 D652 A653	H502-D623 HydrophobicContact CB-CB 3.99Å; H502-D623 WeakPolarHBondContact O-CB 3.41Å; H502-D623 PolarHBondContact O-N 2.86Å; D623-S625 VanDerWaalsContact OD1-CB 3.27Å; D623-S625 WeakPolarHBondContact OD1-CB 3.13Å; D623-S625 PolarHBondContact OD1-N 3.34Å; D623-S625 PolarHBondContact OD1-OG 3.09Å; D623-D652 WeakPolarHBondContact OD1-CA 3.47Å; D623-D652 WeakPolarHBondContact OD2-CA 3.34Å; D623-D652 WeakPolarHBondContact OD2-CB 3.23Å; D623-A653 HydrophobicContact CB-CB 4.23Å; D623-A653 PolarHBondContact OD2-N 3.31Å
624	L	90.8	Very high	88.3	Confident	0 Å²	0	15 Å²	15	0%	0	9%	0.093	C	C	.	.			trans	-105.4	7.1	-176.3	-63.7	175.6	0	0	0	112.8	V44 L85 P488 I496 P622 S626 V627 G650 P651	V44-L624 HydrophobicContact CG2-CD1 4.27Å; L85-L624 HydrophobicContact CD1-CD1 3.71Å; L85-L624 HydrophobicContact CD1-CD2 3.97Å; L85-L624 HydrophobicContact CD1-CG 4.41Å; P488-L624 HydrophobicContact CB-CD1 4.26Å; P488-L624 HydrophobicContact CB-CD2 4.19Å; P488-L624 HydrophobicContact CG-CB 4.43Å; I496-L624 HydrophobicContact CD1-CD2 4.19Å; P622-L624 HydrophobicContact CB-CD2 4.22Å; P622-L624 HydrophobicContact CG-CD2 3.94Å; P622-L624 HydrophobicContact CG-CG 4.18Å; P622-L624 PolarHBondContact O-N 3.48Å; L624-S626 VanDerWaalsContact C-N 3.27Å; L624-S626 PolarHBondContact O-N 3.24Å; L624-V627 HydrophobicContact CD2-CG2 4.25Å; L624-V627 PolarHBondContact O-N 3.43Å; L624-G650 PolarHBondContact O-N 3.04Å; L624-P651 PolarHBondContact N-O 3.35Å; L624-P651 VanDerWaalsContact N-O 3.09Å
625	S	88.4	Confident	86.3	Confident	15 Å²	15	18.1 Å²	18.1	11%	0.105	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-17.7	-176.1	69.6	0	0	0	0	113.8	D623 G650	D623-S625 VanDerWaalsContact OD1-CB 3.27Å; D623-S625 WeakPolarHBondContact OD1-CB 3.13Å; D623-S625 PolarHBondContact OD1-N 3.34Å; D623-S625 PolarHBondContact OD1-OG 3.09Å; S625-G650 WeakPolarHBondContact CA-O 3.43Å
626	S	87.6	Confident	84.4	Confident	49 Å²	49	21.3 Å²	21.3	34%	0.343	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	2	-179.8	-61.7	0	0	0	0	113.4	F499 N501 L624 P628	F499-S626 VanDerWaalsContact O-CB 3.3Å; F499-S626 WeakPolarHBondContact O-CB 3.16Å; N501-S626 WeakPolarHBondContact ND2-CB 3.42Å; N501-S626 PolarHBondContact ND2-OG 2.85Å; L624-S626 VanDerWaalsContact C-N 3.27Å; L624-S626 PolarHBondContact O-N 3.24Å; S626-P628 WeakPolarHBondContact O-CD 3.28Å
627	V	86.7	Confident	82.2	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.012	16%	0.155	C	C	.	.	S	Bend	trans	-70.5	125.8	179.7	177.1	0	0	0	0	109.2	P488 I496 L624 I647	P488-V627 HydrophobicContact CB-CB 4.47Å; P488-V627 HydrophobicContact CB-CG1 4.25Å; P488-V627 HydrophobicContact CB-CG2 4.23Å; P488-V627 HydrophobicContact CG-CB 4.23Å; P488-V627 HydrophobicContact CG-CG1 4.2Å; P488-V627 HydrophobicContact CG-CG2 4.4Å; I496-V627 HydrophobicContact CB-CG2 4.18Å; I496-V627 HydrophobicContact CG2-CG1 3.86Å; I496-V627 HydrophobicContact CG2-CG2 4.28Å; L624-V627 HydrophobicContact CD2-CG2 4.25Å; L624-V627 PolarHBondContact O-N 3.43Å; V627-I647 HydrophobicContact CG1-CG2 4.08Å
628	P	85.7	Confident	79.9	Confident	24 Å²	24	31.4 Å²	31.4	16%	0.156	19%	0.191	C	C	.	.			trans	-62.2	148.1	-178.5	-23.8	32.2	0	0	0	114	F499 S626 N630 T633 L634 I647	F499-P628 HydrophobicContact CD1-CG 3.66Å; F499-P628 HydrophobicContact CD2-CG 4.42Å; F499-P628 HydrophobicContact CE1-CG 3.44Å; F499-P628 VanDerWaalsContact CE1-CG 3.44Å; F499-P628 HydrophobicContact CE2-CG 4.25Å; F499-P628 HydrophobicContact CG-CG 4.15Å; F499-P628 HydrophobicContact CZ-CG 3.76Å; S626-P628 WeakPolarHBondContact O-CD 3.28Å; P628-N630 PolarHBondContact O-N 3.49Å; P628-T633 WeakPolarHBondContact CB-OG1 3.26Å; P628-L634 HydrophobicContact CG-CD2 4.1Å; P628-I647 WeakPolarHBondContact O-CB 3.5Å
629	N	85.2	Confident	77.7	Confident	21 Å²	21	35.9 Å²	35.9	11%	0.112	22%	0.219	C	C	.	.	S	Bend	trans	-79.4	4.3	-174.9	70.4	10.2	0	0	0	116	I647 E697	N629-I647 WeakPolarHBondContact CA-O 3.44Å; N629-I647 WeakPolarHBondContact CB-O 3.42Å; N629-I647 PolarHBondContact O-N 3.3Å; N629-E697 PolarHBondContact ND2-OE1 3.03Å
630	N	81.5	Confident	75.5	Confident	45 Å²	45	36.8 Å²	36.8	24%	0.241	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-145.8	152.1	-175.4	62.8	69.9	0	0	0	111.8	P628 S632 T633	P628-N630 PolarHBondContact O-N 3.49Å; N630-S632 VanDerWaalsContact C-N 3.32Å; N630-S632 PolarHBondContact O-N 3.07Å; N630-S632 PolarHBondContact OD1-N 3.15Å; N630-S632 PolarHBondContact OD1-OG 3.04Å; N630-T633 PolarHBondContact O-OG1 2.75Å; N630-T633 WeakPolarHBondContact OD1-CB 3.29Å; N630-T633 VanDerWaalsContact OD1-CG2 3.24Å; N630-T633 WeakPolarHBondContact OD1-CG2 3.18Å; N630-T633 PolarHBondContact OD1-N 2.67Å; N630-T633 PolarHBondContact OD1-OG1 2.83Å
631	L	78.1	Confident	73.3	Confident	9 Å²	9	41.6 Å²	41.6	5%	0.047	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-23.7	-177.3	-82.3	77.2	0	0	0	113.5	L76 W495 L634 I640 I645 I647	L76-L631 HydrophobicContact CD2-CD2 3.8Å; W495-L631 HydrophobicContact CZ3-CD2 4.45Å; L631-L634 PolarHBondContact O-N 2.7Å; L631-I640 HydrophobicContact CB-CG2 4.4Å; L631-I640 HydrophobicContact CD2-CG2 4.15Å; L631-I645 HydrophobicContact CD1-CB 4.12Å; L631-I645 HydrophobicContact CD1-CG2 3.51Å; L631-I647 HydrophobicContact CD1-CD1 3.68Å; L631-I647 HydrophobicContact CD1-CG1 3.91Å; L631-I647 HydrophobicContact CG-CD1 4.15Å
632	S	71.8	Confident	71.4	Confident	44 Å²	44	46.6 Å²	46.6	31%	0.308	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-41.9	-176.8	61.4	0	0	0	0	111.7	N630 L634 G635	N630-S632 VanDerWaalsContact C-N 3.32Å; N630-S632 PolarHBondContact O-N 3.07Å; N630-S632 PolarHBondContact OD1-N 3.15Å; N630-S632 PolarHBondContact OD1-OG 3.04Å; S632-L634 VanDerWaalsContact C-N 3.27Å; S632-L634 PolarHBondContact O-N 2.83Å; S632-G635 PolarHBondContact O-N 3.34Å
633	T	68.9	Low	70.1	Confident	73 Å²	73	47.6 Å²	47.6	45%	0.448	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.3	175	50.6	0	0	0	0	113.4	P628 N630 G635	P628-T633 WeakPolarHBondContact CB-OG1 3.26Å; N630-T633 PolarHBondContact O-OG1 2.75Å; N630-T633 WeakPolarHBondContact OD1-CB 3.29Å; N630-T633 VanDerWaalsContact OD1-CG2 3.24Å; N630-T633 WeakPolarHBondContact OD1-CG2 3.18Å; N630-T633 PolarHBondContact OD1-N 2.67Å; N630-T633 PolarHBondContact OD1-OG1 2.83Å; T633-G635 PolarHBondContact O-N 3.32Å; T633-G635 VanDerWaalsContact O-N 3.17Å
634	L	65.7	Low	69.9	Low	15 Å²	15	48.4 Å²	48.4	8%	0.079	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	6.9	168.7	-62.2	-179.3	0	0	0	113.4	L491 W495 F499 P628 L631 S632 I647	L491-L634 HydrophobicContact CD1-CD1 3.83Å; W495-L634 HydrophobicContact CB-CD1 4.49Å; W495-L634 HydrophobicContact CE3-CD1 4.38Å; W495-L634 WeakPolarHBondContact O-CD2 3.19Å; F499-L634 HydrophobicContact CD2-CD2 3.8Å; F499-L634 HydrophobicContact CE2-CD2 3.34Å; F499-L634 HydrophobicContact CZ-CD2 4.01Å; P628-L634 HydrophobicContact CG-CD2 4.1Å; L631-L634 PolarHBondContact O-N 2.7Å; S632-L634 VanDerWaalsContact C-N 3.27Å; S632-L634 PolarHBondContact O-N 2.83Å; L634-I647 HydrophobicContact CD1-CD1 3.37Å; L634-I647 HydrophobicContact CG-CD1 4.36Å
635	G	55.1	Low	69.9	Low	65 Å²	65	48.9 Å²	48.9	67%	0.67	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	25.5	162.7	0	0	0	0	0	115.8	S632 T633	S632-G635 PolarHBondContact O-N 3.34Å; T633-G635 PolarHBondContact O-N 3.32Å; T633-G635 VanDerWaalsContact O-N 3.17Å
636	K	58	Low	70.1	Confident	68 Å²	68	48.9 Å²	48.9	30%	0.296	29%	0.294	S	S	.	.			trans	-136.4	123.7	-174.8	-58.9	-162	-180	-159.7	0	115.6	I71 W495	I71-K636 HydrophobicContact CD1-CB 3.48Å; I71-K636 VanDerWaalsContact CD1-CB 3.48Å; I71-K636 HydrophobicContact CD1-CD 3.72Å; I71-K636 HydrophobicContact CD1-CG 4.22Å; W495-K636 HydrophobicContact CH2-CD 4.44Å; W495-K636 HydrophobicContact CZ2-CD 3.63Å; W495-K636 VanDerWaalsContact NE1-CE 3.27Å
637	S	50.9	Low	70.3	Confident	47 Å²	47	46.6 Å²	46.6	33%	0.329	28%	0.278	S	S	.	.			trans	53.1	116.3	170.1	-159.5	0	0	0	0	117.9	T639 I640 M641	S637-T639 PolarHBondContact O-N 3.19Å; S637-T639 VanDerWaalsContact O-N 3.11Å; S637-T639 PolarHBondContact OG-OG1 3.44Å; S637-T639 VanDerWaalsContact OG-OG1 3.09Å; S637-I640 PolarHBondContact O-N 3.19Å; S637-I640 VanDerWaalsContact O-N 3.13Å; S637-M641 WeakPolarHBondContact O-CG 3.34Å
638	E	50.1	Low	70.5	Confident	164 Å²	164	46.5 Å²	46.5	77%	0.766	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-54.4	-29.8	173.6	-72.3	-175.7	164.6	0	0	113.2	I640 M641	E638-I640 PolarHBondContact O-N 2.91Å; E638-M641 HydrophobicContact CB-CE 3.9Å; E638-M641 HydrophobicContact CG-CE 3.78Å; E638-M641 HydrophobicContact CG-SD 4.39Å; E638-M641 WeakPolarHBondContact O-CB 3.45Å; E638-M641 WeakPolarHBondContact O-CG 3.4Å; E638-M641 PolarHBondContact O-N 3.35Å
639	T	51.5	Low	70.5	Confident	96 Å²	96	45.4 Å²	45.4	59%	0.589	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-73.8	-24.2	-177.8	-2.3	0	0	0	0	113.7	S637 M641	S637-T639 PolarHBondContact O-N 3.19Å; S637-T639 VanDerWaalsContact O-N 3.11Å; S637-T639 PolarHBondContact OG-OG1 3.44Å; S637-T639 VanDerWaalsContact OG-OG1 3.09Å; T639-M641 VanDerWaalsContact C-N 3.35Å
640	I	52.9	Low	70.5	Confident	19 Å²	19	44.7 Å²	44.7	10%	0.097	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-87.6	-9.5	176.2	-62.6	179.9	0	0	0	110.8	I71 L631 S637 E638 S642 S643	I71-I640 HydrophobicContact CB-CD1 4.41Å; I71-I640 HydrophobicContact CD1-CD1 4.22Å; I71-I640 HydrophobicContact CG1-CD1 4.13Å; I71-I640 HydrophobicContact CG2-CD1 3.45Å; I71-I640 VanDerWaalsContact CG2-CD1 3.45Å; I71-I640 HydrophobicContact CG2-CG1 4.49Å; L631-I640 HydrophobicContact CB-CG2 4.4Å; L631-I640 HydrophobicContact CD2-CG2 4.15Å; S637-I640 PolarHBondContact O-N 3.19Å; S637-I640 VanDerWaalsContact O-N 3.13Å; E638-I640 PolarHBondContact O-N 2.91Å; I640-S642 VanDerWaalsContact C-N 3.26Å; I640-S642 PolarHBondContact O-N 2.57Å; I640-S642 VanDerWaalsContact O-N 3.15Å; I640-S643 WeakPolarHBondContact CG2-OG 3.37Å; I640-S643 WeakPolarHBondContact O-CB 3.5Å; I640-S643 PolarHBondContact O-N 2.87Å; I640-S643 PolarHBondContact O-OG 3.27Å
641	M	48.7	Very low	70.7	Confident	102 Å²	102	43 Å²	43	50%	0.502	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.6	-170.2	-63.7	-160.5	-52.4	0	0	115.2	S637 E638 T639	S637-M641 WeakPolarHBondContact O-CG 3.34Å; E638-M641 HydrophobicContact CB-CE 3.9Å; E638-M641 HydrophobicContact CG-CE 3.78Å; E638-M641 HydrophobicContact CG-SD 4.39Å; E638-M641 WeakPolarHBondContact O-CB 3.45Å; E638-M641 WeakPolarHBondContact O-CG 3.4Å; E638-M641 PolarHBondContact O-N 3.35Å; T639-M641 VanDerWaalsContact C-N 3.35Å
642	S	55.2	Low	71.2	Confident	107 Å²	107	43 Å²	43	75%	0.748	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	11.8	175.9	60.1	0	0	0	0	113.6	I640	I640-S642 VanDerWaalsContact C-N 3.26Å; I640-S642 PolarHBondContact O-N 2.57Å; I640-S642 VanDerWaalsContact O-N 3.15Å
643	S	66.5	Low	72	Confident	25 Å²	25	41.2 Å²	41.2	18%	0.175	25%	0.247	C	C	.	.			trans	-77.2	139.3	-172.4	60.3	0	0	0	0	112.3	I640 I645	I640-S643 WeakPolarHBondContact CG2-OG 3.37Å; I640-S643 WeakPolarHBondContact O-CB 3.5Å; I640-S643 PolarHBondContact O-N 2.87Å; I640-S643 PolarHBondContact O-OG 3.27Å; S643-I645 PolarHBondContact O-N 3.35Å
644	N	87.9	Confident	72.9	Confident	27 Å²	27	39.3 Å²	39.3	14%	0.144	24%	0.235	C	C	.	.	S	Bend	trans	-72.2	40.9	167.4	-50.8	-33.9	0	0	0	111.2	D468 F469 K482 C483 V484 F646 I705	D468-N644 PolarHBondContact OD2-ND2 3.14Å; F469-N644 HydrophobicContact CE2-CB 3.97Å; K482-N644 WeakPolarHBondContact O-CB 3.36Å; K482-N644 PolarHBondContact O-ND2 3.08Å; C483-N644 VanDerWaalsContact CA-O 3.25Å; C483-N644 WeakPolarHBondContact CA-O 3.44Å; C483-N644 HydrophobicContact CB-CB 4Å; C483-N644 WeakPolarHBondContact CB-O 3.31Å; V484-N644 PolarHBondContact N-O 2.95Å; N644-F646 HydrophobicContact CB-CE2 4.28Å; N644-I705 HydrophobicContact CB-CD1 3.83Å; N644-I705 WeakPolarHBondContact ND2-CG2 3.15Å; N644-I705 VanDerWaalsContact OD1-CD1 3.24Å; N644-I705 WeakPolarHBondContact OD1-CD1 3.25Å
645	I	90.6	Very high	73.8	Confident	9 Å²	9	39.4 Å²	39.4	5%	0.046	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.1	176.1	-56.3	172.7	0	0	0	107.5	I415 F469 V484 L486 L631 S643	I415-I645 HydrophobicContact CD1-CD1 4.19Å; I415-I645 HydrophobicContact CG2-CD1 4.13Å; F469-I645 HydrophobicContact CE1-CD1 3.98Å; F469-I645 HydrophobicContact CE1-CG1 4.11Å; F469-I645 HydrophobicContact CZ-CD1 4.35Å; F469-I645 HydrophobicContact CZ-CG1 4Å; V484-I645 HydrophobicContact CB-CG1 4.32Å; V484-I645 HydrophobicContact CB-CG2 4.44Å; V484-I645 CarbonylContact O-C 3.58Å; V484-I645 VanDerWaalsContact O-CA 3.27Å; V484-I645 WeakPolarHBondContact O-CA 3.38Å; L486-I645 HydrophobicContact CD1-CG2 4.11Å; L486-I645 HydrophobicContact CG-CG2 4.46Å; L631-I645 HydrophobicContact CD1-CB 4.12Å; L631-I645 HydrophobicContact CD1-CG2 3.51Å; S643-I645 PolarHBondContact O-N 3.35Å
646	F	92.7	Very high	75.3	Confident	16 Å²	16	36.9 Å²	36.9	7%	0.07	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.8	-176.7	-58	-77.3	0	0	0	110.8	C483 V484 I485 L486 N644 I698 K701 I702 I705	C483-F646 HydrophobicContact CB-CE2 4.47Å; V484-F646 PolarHBondContact O-N 2.98Å; I485-F646 CarbonylContact C-O 3.52Å; I485-F646 WeakPolarHBondContact CA-O 3.49Å; L486-F646 PolarHBondContact N-O 3.37Å; N644-F646 HydrophobicContact CB-CE2 4.28Å; F646-I698 HydrophobicContact CB-CG1 4.39Å; F646-I698 HydrophobicContact CB-CG2 3.8Å; F646-I698 HydrophobicContact CD1-CG2 4.38Å; F646-I698 HydrophobicContact CD2-CG2 4.33Å; F646-I698 HydrophobicContact CG-CG2 3.9Å; F646-K701 HydrophobicContact CD1-CD 4.42Å; F646-K701 HydrophobicContact CE1-CB 3.94Å; F646-K701 HydrophobicContact CE1-CD 3.7Å; F646-K701 HydrophobicContact CE1-CG 4.46Å; F646-K701 HydrophobicContact CZ-CB 3.91Å; F646-K701 HydrophobicContact CZ-CD 4.47Å; F646-I702 HydrophobicContact CD2-CD1 4.12Å; F646-I702 HydrophobicContact CD2-CG1 3.93Å; F646-I702 HydrophobicContact CE2-CD1 4.37Å; F646-I702 HydrophobicContact CE2-CG1 3.68Å; F646-I702 HydrophobicContact CZ-CG1 4.44Å; F646-I705 HydrophobicContact CE2-CD1 3.84Å; F646-I705 HydrophobicContact CZ-CD1 3.6Å
647	I	92	Very high	76.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.6	171	-59.7	161.2	0	0	0	107.4	L486 P488 L491 V627 P628 N629 L631 L634 I698	L486-I647 VanDerWaalsContact O-CA 3.29Å; L486-I647 WeakPolarHBondContact O-CA 3.2Å; P488-I647 HydrophobicContact CG-CG2 4.42Å; L491-I647 HydrophobicContact CD1-CD1 3.63Å; L491-I647 HydrophobicContact CD1-CG1 4.05Å; L491-I647 HydrophobicContact CD1-CG2 4.04Å; V627-I647 HydrophobicContact CG1-CG2 4.08Å; P628-I647 WeakPolarHBondContact O-CB 3.5Å; N629-I647 WeakPolarHBondContact CA-O 3.44Å; N629-I647 WeakPolarHBondContact CB-O 3.42Å; N629-I647 PolarHBondContact O-N 3.3Å; L631-I647 HydrophobicContact CD1-CD1 3.68Å; L631-I647 HydrophobicContact CD1-CG1 3.91Å; L631-I647 HydrophobicContact CG-CD1 4.15Å; L634-I647 HydrophobicContact CD1-CD1 3.37Å; L634-I647 HydrophobicContact CG-CD1 4.36Å; I647-I698 VanDerWaalsContact O-CD1 3.26Å; I647-I698 WeakPolarHBondContact O-CD1 3.44Å
648	T	92.6	Very high	77.8	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.006	18%	0.179	C	C	.	.			trans	-86.5	151.7	175.1	34.6	0	0	0	0	110.9	E18 I21 I485 L486 P488 I698	E18-T648 VanDerWaalsContact CD-OG1 3.29Å; E18-T648 HydrophobicContact CG-CG2 4.1Å; E18-T648 WeakPolarHBondContact OE1-CB 3.44Å; E18-T648 PolarHBondContact OE1-OG1 3.08Å; I21-T648 HydrophobicContact CD1-CG2 3.85Å; I485-T648 HydrophobicContact CG2-CG2 3.65Å; L486-T648 PolarHBondContact O-N 3.15Å; L486-T648 PolarHBondContact O-OG1 3.48Å; P488-T648 VanDerWaalsContact CD-O 3.26Å; P488-T648 WeakPolarHBondContact CD-O 3.49Å; P488-T648 VanDerWaalsContact CG-O 3.22Å; P488-T648 WeakPolarHBondContact CG-O 2.99Å; T648-I698 HydrophobicContact CG2-CD1 3.84Å
649	A	83.9	Confident	78.5	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.008	15%	0.15	C	C	.	.			trans	-67.7	137.4	163.1	0	0	0	0	0	110.5	S17 E694	S17-A649 PolarHBondContact OG-O 3.34Å; A649-E694 WeakPolarHBondContact CB-OE2 3.33Å
650	G	85.2	Confident	78.5	Confident	5 Å²	5	21.5 Å²	21.5	5%	0.052	13%	0.128	C	C	.	.			trans	-82.9	178.3	161.8	0	0	0	0	0	111.2	L624 S625	L624-G650 PolarHBondContact O-N 3.04Å; S625-G650 WeakPolarHBondContact CA-O 3.43Å
651	P	86.3	Confident	77.9	Confident	9 Å²	9	24.3 Å²	24.3	6%	0.058	14%	0.143	C	C	.	.			trans	-69.8	151.2	177.9	32.4	-37.4	0	0	0	111.7	V44 L45 L624	V44-P651 HydrophobicContact CG2-CG 3.29Å; L45-P651 HydrophobicContact CD1-CB 4.23Å; L45-P651 HydrophobicContact CD1-CG 4.49Å; L45-P651 HydrophobicContact CD2-CB 3.82Å; L45-P651 HydrophobicContact CD2-CG 4.03Å; L45-P651 HydrophobicContact CG-CB 3.96Å; L45-P651 HydrophobicContact CG-CG 3.87Å; L624-P651 PolarHBondContact N-O 3.35Å; L624-P651 VanDerWaalsContact N-O 3.09Å
652	D	88.7	Confident	77.2	Confident	11 Å²	11	22.2 Å²	22.2	6%	0.059	14%	0.137	C	C	.	.			trans	-76.8	178.2	167	58.4	58.4	0	0	0	112.5	K206 D623 T654 S659	K206-D652 PolarHBondContact NZ-O 2.78Å; K206-D652 IonicContact NZ-OD1 3.43Å; K206-D652 PolarHBondContact NZ-OD1 3.27Å; D623-D652 WeakPolarHBondContact OD1-CA 3.47Å; D623-D652 WeakPolarHBondContact OD2-CA 3.34Å; D623-D652 WeakPolarHBondContact OD2-CB 3.23Å; D652-T654 HydrophobicContact CB-CG2 4.46Å; D652-T654 WeakPolarHBondContact OD1-CB 3.38Å; D652-T654 PolarHBondContact OD1-N 3.32Å; D652-T654 PolarHBondContact OD1-OG1 3.1Å; D652-S659 PolarHBondContact OD1-OG 3.37Å; D652-S659 WeakPolarHBondContact OD2-CB 3.39Å; D652-S659 PolarHBondContact OD2-OG 3.03Å
653	A	89.2	Confident	76	Confident	5 Å²	5	20.3 Å²	20.3	4%	0.041	12%	0.118	C	C	.	.	S	Bend	trans	-85.5	-3.7	176.5	0	0	0	0	0	115.4	C504 I571 D623	C504-A653 HydrophobicContact CB-CB 3.98Å; I571-A653 HydrophobicContact CB-CB 4.49Å; I571-A653 HydrophobicContact CG1-CB 4.06Å; I571-A653 HydrophobicContact CG2-CB 4Å; D623-A653 HydrophobicContact CB-CB 4.23Å; D623-A653 PolarHBondContact OD2-N 3.31Å
654	T	87.7	Confident	74.2	Confident	34 Å²	34	22.8 Å²	22.8	21%	0.209	13%	0.132	C	C	.	.	S	Bend	trans	-72.6	161	-175.4	85.1	0	0	0	0	111.3	K206 I571 D652 D656 S659	K206-T654 PolarHBondContact NZ-O 2.99Å; I571-T654 HydrophobicContact CD1-CG2 4.2Å; D652-T654 HydrophobicContact CB-CG2 4.46Å; D652-T654 WeakPolarHBondContact OD1-CB 3.38Å; D652-T654 PolarHBondContact OD1-N 3.32Å; D652-T654 PolarHBondContact OD1-OG1 3.1Å; T654-D656 VanDerWaalsContact C-N 3.32Å; T654-D656 PolarHBondContact O-N 2.95Å; T654-D656 PolarHBondContact OG1-N 2.93Å; T654-D656 PolarHBondContact OG1-O 2.8Å; T654-D656 VanDerWaalsContact OG1-O 3.06Å; T654-S659 VanDerWaalsContact CG2-OG 3.3Å; T654-S659 WeakPolarHBondContact CG2-OG 3.44Å; T654-S659 PolarHBondContact OG1-OG 2.94Å
655	P	83.9	Confident	71.2	Confident	16 Å²	16	26.9 Å²	26.9	10%	0.104	15%	0.154	C	C	.	.	S	Bend	trans	-74.8	-18.8	179.3	31.4	-38.2	0	0	0	113.7	K206 I207 I547	K206-P655 CarbonylContact C-O 3.57Å; K206-P655 VanDerWaalsContact CA-O 3.28Å; K206-P655 WeakPolarHBondContact CA-O 3.41Å; I207-P655 WeakPolarHBondContact CG1-O 3.34Å; I207-P655 PolarHBondContact N-O 2.6Å; I547-P655 HydrophobicContact CB-CB 4.49Å; I547-P655 HydrophobicContact CG1-CB 4.24Å; I547-P655 HydrophobicContact CG1-CG 4.13Å; I547-P655 HydrophobicContact CG2-CB 4.2Å
656	D	88	Confident	68.3	Low	13 Å²	13	33.5 Å²	33.5	7%	0.07	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-105.8	147.6	-176.8	63	117.2	0	0	0	112.8	I207 Y209 R368 T654 D658	I207-D656 HydrophobicContact CD1-CB 4.23Å; I207-D656 HydrophobicContact CG1-CB 3.65Å; I207-D656 WeakPolarHBondContact O-CA 2.91Å; Y209-D656 HydrophobicContact CD2-CB 4.28Å; Y209-D656 HydrophobicContact CE2-CB 3.62Å; R368-D656 IonicContact CZ-OD1 2.87Å; R368-D656 VanDerWaalsContact CZ-OD1 3.3Å; R368-D656 IonicContact NH1-OD1 3.82Å; R368-D656 PolarHBondContact NH1-OD1 3.09Å; R368-D656 VanDerWaalsContact NH1-OD1 3.07Å; R368-D656 IonicContact NH2-OD1 3.6Å; R368-D656 PolarHBondContact NH2-OD1 2.85Å; R368-D656 IonicContact NH2-OD2 3.85Å; T654-D656 VanDerWaalsContact C-N 3.32Å; T654-D656 PolarHBondContact O-N 2.95Å; T654-D656 PolarHBondContact OG1-N 2.93Å; T654-D656 PolarHBondContact OG1-O 2.8Å; T654-D656 VanDerWaalsContact OG1-O 3.06Å; D656-D658 PolarHBondContact O-N 3.29Å; D656-D658 WeakPolarHBondContact OD1-CA 3.4Å; D656-D658 WeakPolarHBondContact OD1-CB 3.39Å; D656-D658 PolarHBondContact OD1-N 2.83Å
657	L	84.9	Confident	65.3	Low	3 Å²	3	39 Å²	39	2%	0.016	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-12.5	171.4	-94	168.9	0	0	0	112.6	L16 K206 I207 L208 V214 L391 S659 N689 I691	L16-L657 HydrophobicContact CD2-CD1 4.27Å; L16-L657 HydrophobicContact CD2-CD2 3.56Å; K206-L657 HydrophobicContact CB-CB 4.42Å; K206-L657 HydrophobicContact CB-CD1 4.04Å; K206-L657 HydrophobicContact CB-CD2 4.36Å; K206-L657 HydrophobicContact CB-CG 3.57Å; K206-L657 HydrophobicContact CD-CG 4.38Å; K206-L657 HydrophobicContact CG-CD2 4.07Å; K206-L657 HydrophobicContact CG-CG 3.84Å; I207-L657 PolarHBondContact O-N 2.89Å; L208-L657 HydrophobicContact CD2-CD1 4.04Å; L208-L657 HydrophobicContact CG-CD1 4.18Å; V214-L657 HydrophobicContact CG2-CB 4.41Å; L391-L657 HydrophobicContact CD1-CD1 3.24Å; L657-S659 VanDerWaalsContact C-N 3.33Å; L657-S659 PolarHBondContact O-N 3.13Å; L657-N689 PolarHBondContact O-ND2 2.89Å; L657-I691 HydrophobicContact CD2-CD1 4.15Å
658	D	75.2	Confident	62.2	Low	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	32.2	-177.3	-68.3	-42.1	0	0	0	113.7	Y209 S212 R368 D656 I660 N689	Y209-D658 HydrophobicContact CD2-CB 4.35Å; S212-D658 WeakPolarHBondContact CB-OD2 3.37Å; S212-D658 PolarHBondContact OG-OD1 3.09Å; S212-D658 PolarHBondContact OG-OD2 3.3Å; R368-D658 PolarHBondContact NH1-O 3.29Å; D656-D658 PolarHBondContact O-N 3.29Å; D656-D658 WeakPolarHBondContact OD1-CA 3.4Å; D656-D658 WeakPolarHBondContact OD1-CB 3.39Å; D656-D658 PolarHBondContact OD1-N 2.83Å; D658-I660 WeakPolarHBondContact O-CD1 3.43Å; D658-I660 WeakPolarHBondContact O-CG1 3.46Å; D658-I660 PolarHBondContact O-N 3.17Å; D658-N689 WeakPolarHBondContact CA-ND2 3.41Å; D658-N689 PolarHBondContact OD1-ND2 2.91Å
659	S	65.5	Low	59.2	Low	22 Å²	22	53.6 Å²	53.6	15%	0.154	28%	0.277	C	S	.	.			trans	-57.3	114.3	166.3	-59.8	0	0	0	0	109.3	D652 T654 L657 L690	D652-S659 PolarHBondContact OD1-OG 3.37Å; D652-S659 WeakPolarHBondContact OD2-CB 3.39Å; D652-S659 PolarHBondContact OD2-OG 3.03Å; T654-S659 VanDerWaalsContact CG2-OG 3.3Å; T654-S659 WeakPolarHBondContact CG2-OG 3.44Å; T654-S659 PolarHBondContact OG1-OG 2.94Å; L657-S659 VanDerWaalsContact C-N 3.33Å; L657-S659 PolarHBondContact O-N 3.13Å; S659-L690 PolarHBondContact O-N 3.42Å; S659-L690 VanDerWaalsContact O-N 3.16Å
660	I	50.1	Low	56.6	Low	26 Å²	26	58.6 Å²	58.6	13%	0.133	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-114.3	137.6	-175.5	-77.9	159.6	0	0	0	105.4	F364 D658 P662 C687	F364-I660 HydrophobicContact CE1-CD1 3.89Å; F364-I660 HydrophobicContact CZ-CD1 3.6Å; F364-I660 HydrophobicContact CZ-CG2 4.47Å; D658-I660 WeakPolarHBondContact O-CD1 3.43Å; D658-I660 WeakPolarHBondContact O-CG1 3.46Å; D658-I660 PolarHBondContact O-N 3.17Å; I660-P662 WeakPolarHBondContact O-CD 3.4Å; I660-C687 HydrophobicContact CD1-CB 4.23Å; I660-C687 HydrophobicContact CG2-CB 3.37Å
661	I	41.3	Very low	53.9	Low	78 Å²	78	64.2 Å²	64.2	40%	0.4	34%	0.339	S	S	.	.			trans	-80.5	110.5	167.7	-44.8	172.9	0	0	0	107.8	N663 V664 L690	I661-N663 PolarHBondContact O-N 2.86Å; I661-N663 VanDerWaalsContact O-N 3.15Å; I661-V664 HydrophobicContact CB-CG2 3.55Å; I661-V664 HydrophobicContact CD1-CG2 3.75Å; I661-V664 HydrophobicContact CG1-CG2 4.26Å; I661-V664 HydrophobicContact CG2-CG2 3.14Å; I661-L690 HydrophobicContact CD1-CD1 3.52Å; I661-L690 HydrophobicContact CD1-CD2 4.42Å; I661-L690 HydrophobicContact CD1-CG 4.48Å; I661-L690 HydrophobicContact CG1-CD1 4.09Å; I661-L690 HydrophobicContact CG1-CD2 4.43Å
662	P	33.8	Very low	51.5	Low	58 Å²	58	72.1 Å²	72.1	38%	0.377	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	119.9	172.4	25.6	-32.1	0	0	0	108.7	I660	I660-P662 WeakPolarHBondContact O-CD 3.4Å
663	N	30.3	Very low	48.8	Very low	68 Å²	68	76.3 Å²	76.3	36%	0.364	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	33.8	168.1	-57.1	-64.4	0	0	0	118.6	I661 N665 I685	I661-N663 PolarHBondContact O-N 2.86Å; I661-N663 VanDerWaalsContact O-N 3.15Å; N663-N665 PolarHBondContact O-N 3.22Å; N663-I685 WeakPolarHBondContact OD1-CD1 3.4Å
664	V	28.4	Very low	46.1	Very low	76 Å²	76	82.3 Å²	82.3	46%	0.461	43%	0.433	S	S	.	.			trans	-73.7	104.5	161.5	-163.5	0	0	0	0	108.1	I661 Y666	I661-V664 HydrophobicContact CB-CG2 3.55Å; I661-V664 HydrophobicContact CD1-CG2 3.75Å; I661-V664 HydrophobicContact CG1-CG2 4.26Å; I661-V664 HydrophobicContact CG2-CG2 3.14Å; V664-Y666 HydrophobicContact CG1-CD2 3.72Å; V664-Y666 PolarHBondContact O-N 3.32Å
665	N	26	Very low	43.7	Very low	113 Å²	113	88.2 Å²	88.2	60%	0.604	46%	0.461	S	S	*	.			trans	-61.6	75.4	157.7	-71	-43.2	0	0	0	107.8	N663 F667	N663-N665 PolarHBondContact O-N 3.22Å; N665-F667 HydrophobicContact CB-CD2 4.42Å; N665-F667 PolarHBondContact O-N 3.03Å
666	Y	29.6	Very low	41.4	Very low	149 Å²	149	94.4 Å²	94.4	58%	0.584	49%	0.493	S	S	*	.			trans	-71	89.4	168.8	-133.6	-94.1	0	0	0	106.4	V664 Y668 E697	V664-Y666 HydrophobicContact CG1-CD2 3.72Å; V664-Y666 PolarHBondContact O-N 3.32Å; Y666-Y668 PolarHBondContact O-N 3.17Å; Y666-Y668 VanDerWaalsContact O-N 3.16Å; Y666-E697 PolarHBondContact OH-OE2 3.12Å
667	F	28	Very low	38.9	Very low	131 Å²	131	99.5 Å²	99.5	58%	0.575	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	7.6	-170.2	-137.2	-90.9	0	0	0	113.4	N665	N665-F667 HydrophobicContact CB-CD2 4.42Å; N665-F667 PolarHBondContact O-N 3.03Å
668	Y	28.6	Very low	36.4	Very low	185 Å²	185	106.9 Å²	106.9	73%	0.725	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	2.9	-159.6	-103.3	-82.2	0	0	0	119.3	Y666	Y666-Y668 PolarHBondContact O-N 3.17Å; Y666-Y668 VanDerWaalsContact O-N 3.16Å
669	C	29.2	Very low	34.4	Very low	122 Å²	122	117.1 Å²	117.1	82%	0.824	61%	0.608	S	S	*	*	S	Bend	trans	-114	4.3	174.6	-83.6	0	0	0	0	116.7
670	C	28.3	Very low	32.7	Very low	107 Å²	107	122.6 Å²	122.6	72%	0.723	64%	0.635	S	S	*	*	S	Bend	trans	-118	-0.5	172.4	-70.4	0	0	0	0	114.7	L672 L673	C670-L672 PolarHBondContact O-N 3.01Å; C670-L672 VanDerWaalsContact O-N 3.15Å; C670-L673 PolarHBondContact O-N 3.36Å
671	L	29.7	Very low	31.7	Very low	123 Å²	123	128.5 Å²	128.5	64%	0.644	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-5.1	-176.4	-156	71.5	0	0	0	114.3
672	L	35.7	Very low	31.2	Very low	174 Å²	174	131.9 Å²	131.9	91%	0.911	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-1.6	174.4	-150.4	72.6	0	0	0	114	C670	C670-L672 PolarHBondContact O-N 3.01Å; C670-L672 VanDerWaalsContact O-N 3.15Å
673	L	31.6	Very low	30.9	Very low	99 Å²	99	135.4 Å²	135.4	52%	0.518	69%	0.688	S	S	.	*	S	Bend	trans	-104.5	92.7	174.6	-77.2	157.8	0	0	0	110.9	C670 Q713	C670-L673 PolarHBondContact O-N 3.36Å; L673-Q713 VanDerWaalsContact CD2-NE2 3.31Å
674	L	32.9	Very low	30.9	Very low	132 Å²	132	135.2 Å²	135.2	69%	0.691	69%	0.689	S	S	*	*			trans	67.7	95.3	156.2	-81.9	102.7	0	0	0	118.5	L676	L674-L676 PolarHBondContact O-N 3.42Å
675	I	36.8	Very low	31.1	Very low	158 Å²	158	134.1 Å²	134.1	81%	0.81	68%	0.68	S	S	*	*	S	Bend		-35.7	124.4	120.8	-66.6	159.6	0	0	0	109
676	L	35.8	Very low	31.5	Very low	146 Å²	146	135.8 Å²	135.8	76%	0.764	68%	0.681	S	S	*	*			trans	98.8	70.3	178.9	-59.9	146.8	0	0	0	116.7	L674	L674-L676 PolarHBondContact O-N 3.42Å
677	S	35.8	Very low	32	Very low	120 Å²	120	130.2 Å²	130.2	84%	0.839	66%	0.664	S	S	*	*				172.9	141.3	120.7	47	0	0	0	0	111.2
678	L	32.7	Very low	33	Very low	158 Å²	158	129.8 Å²	129.8	83%	0.827	66%	0.659	S	S	*	*			trans	-56.7	140.9	-172.1	-105.4	72	0	0	0	114.8
679	Y	31.6	Very low	34.6	Very low	214 Å²	214	121.1 Å²	121.1	84%	0.839	63%	0.625	S	S	*	*			trans	54.4	82.3	141.8	-92.2	-101.2	0	0	0	118.5
680	L	30	Very low	36.8	Very low	138 Å²	138	116.4 Å²	116.4	72%	0.723	59%	0.591	S	S	*	*			trans	-159.6	85.9	136.3	-103.9	137.8	0	0	0	107.1	F682	L680-F682 HydrophobicContact CB-CD2 3.9Å; L680-F682 HydrophobicContact CB-CE2 3.83Å; L680-F682 HydrophobicContact CD2-CD2 4.28Å; L680-F682 HydrophobicContact CD2-CE2 3.81Å; L680-F682 HydrophobicContact CD2-CZ 4.03Å; L680-F682 HydrophobicContact CG-CE2 4.28Å; L680-F682 PolarHBondContact O-N 2.64Å
681	L	29.7	Very low	39.3	Very low	149 Å²	149	111.7 Å²	111.7	78%	0.78	56%	0.559	S	S	*	*			trans	-66.5	79.7	169.9	-162.4	85	0	0	0	107.1	K683	L681-K683 PolarHBondContact O-N 2.91Å
682	F	30.7	Very low	42	Very low	150 Å²	150	107 Å²	107	66%	0.658	53%	0.534	S	S	*	.			trans	-61.7	91	173.4	-90.4	-82.9	0	0	0	107.6	L680 V684	L680-F682 HydrophobicContact CB-CD2 3.9Å; L680-F682 HydrophobicContact CB-CE2 3.83Å; L680-F682 HydrophobicContact CD2-CD2 4.28Å; L680-F682 HydrophobicContact CD2-CE2 3.81Å; L680-F682 HydrophobicContact CD2-CZ 4.03Å; L680-F682 HydrophobicContact CG-CE2 4.28Å; L680-F682 PolarHBondContact O-N 2.64Å; F682-V684 HydrophobicContact CB-CG2 4.18Å; F682-V684 HydrophobicContact CD1-CG2 4.49Å; F682-V684 PolarHBondContact O-N 3.47Å
683	K	27.1	Very low	44.3	Very low	132 Å²	132	100.3 Å²	100.3	57%	0.574	50%	0.5	S	S	*	.			trans	-74.5	61.8	172.4	-150.2	179.3	-170.3	-175.8	0	107.8	L681 I685	L681-K683 PolarHBondContact O-N 2.91Å; K683-I685 VanDerWaalsContact C-N 3.3Å; K683-I685 PolarHBondContact O-N 3.21Å
684	V	31.2	Very low	46.9	Very low	64 Å²	64	97.1 Å²	97.1	39%	0.388	48%	0.483	S	S	.	.			trans	-70.2	99.3	168.7	-171.3	0	0	0	0	104.8	T307 F682 K686	T307-V684 HydrophobicContact CG2-CG1 4.43Å; F682-V684 HydrophobicContact CB-CG2 4.18Å; F682-V684 HydrophobicContact CD1-CG2 4.49Å; F682-V684 PolarHBondContact O-N 3.47Å; V684-K686 HydrophobicContact CG1-CG 3.69Å; V684-K686 PolarHBondContact O-N 3.47Å
685	I	32.3	Very low	49.7	Very low	53 Å²	53	90.9 Å²	90.9	27%	0.272	45%	0.45	S	S	.	.			trans	-67.7	79.8	166	-56.4	171.2	0	0	0	105.4	N305 N663 K683 C687	N305-I685 VanDerWaalsContact ND2-CD1 3.27Å; N305-I685 WeakPolarHBondContact ND2-CD1 3.39Å; N663-I685 WeakPolarHBondContact OD1-CD1 3.4Å; K683-I685 VanDerWaalsContact C-N 3.3Å; K683-I685 PolarHBondContact O-N 3.21Å; I685-C687 PolarHBondContact O-N 2.91Å
686	K	34.7	Very low	52.3	Low	147 Å²	147	85 Å²	85	64%	0.639	42%	0.419	S	S	*	.			trans	-71.8	91.8	159.3	-74.5	-170.9	176	175.9	0	104.6	V684 R688	V684-K686 HydrophobicContact CG1-CG 3.69Å; V684-K686 PolarHBondContact O-N 3.47Å; K686-R688 HydrophobicContact CB-CG 3.83Å; K686-R688 WeakPolarHBondContact O-CG 3.02Å; K686-R688 PolarHBondContact O-N 3.27Å
687	C	40.2	Very low	54.9	Low	33 Å²	33	80 Å²	80	22%	0.223	39%	0.392	C	S	.	.			trans	-52.4	96.2	155.7	-84	0	0	0	0	107	F364 I660 I685	F364-C687 HydrophobicContact CE2-CB 3.83Å; F364-C687 VanDerWaalsContact CE2-SG 3.55Å; F364-C687 HydrophobicContact CZ-CB 3.83Å; I660-C687 HydrophobicContact CD1-CB 4.23Å; I660-C687 HydrophobicContact CG2-CB 3.37Å; I685-C687 PolarHBondContact O-N 2.91Å
688	R	48.4	Very low	57.5	Low	122 Å²	122	74.3 Å²	74.3	46%	0.46	35%	0.352	S	S	.	.			trans	-101.7	135.7	-179.7	-66.4	175.5	124.6	170.3	-6.2	108.5	K686 L690 V693 E696	K686-R688 HydrophobicContact CB-CG 3.83Å; K686-R688 WeakPolarHBondContact O-CG 3.02Å; K686-R688 PolarHBondContact O-N 3.27Å; R688-L690 PolarHBondContact O-N 2.93Å; R688-V693 HydrophobicContact CB-CG2 3.18Å; R688-V693 HydrophobicContact CG-CG2 4.03Å; R688-E696 IonicContact NH2-OE2 3.12Å
689	N	62.9	Low	60.4	Low	2 Å²	2	66.8 Å²	66.8	1%	0.011	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-60.2	128.1	174.9	178.4	-68	0	0	0	109.3	P213 V214 L657 D658 I691 L692 V693	P213-N689 HydrophobicContact CB-CB 4.22Å; P213-N689 HydrophobicContact CG-CB 4.49Å; V214-N689 WeakPolarHBondContact CG2-ND2 3.17Å; L657-N689 PolarHBondContact O-ND2 2.89Å; D658-N689 WeakPolarHBondContact CA-ND2 3.41Å; D658-N689 PolarHBondContact OD1-ND2 2.91Å; N689-I691 PolarHBondContact O-N 3.39Å; N689-I691 WeakPolarHBondContact OD1-CB 3.44Å; N689-I691 PolarHBondContact OD1-N 2.82Å; N689-I691 VanDerWaalsContact OD1-N 3.1Å; N689-L692 HydrophobicContact CB-CB 4.1Å; N689-L692 HydrophobicContact CB-CD1 3.97Å; N689-L692 HydrophobicContact CB-CG 4.05Å; N689-L692 PolarHBondContact O-N 3.5Å; N689-L692 PolarHBondContact OD1-N 3.11Å; N689-L692 VanDerWaalsContact OD1-N 3.11Å; N689-V693 VanDerWaalsContact O-CG2 3.31Å; N689-V693 WeakPolarHBondContact O-CG2 3.37Å; N689-V693 PolarHBondContact O-N 3.31Å
690	L	74.4	Confident	63.2	Low	24 Å²	24	59.5 Å²	59.5	13%	0.126	28%	0.284	C	S	.	.	H	α-helix	trans	-59.1	-48.5	-172.3	-177	53	0	0	0	112.2	S659 I661 R688 L692 V693 E694	S659-L690 PolarHBondContact O-N 3.42Å; S659-L690 VanDerWaalsContact O-N 3.16Å; I661-L690 HydrophobicContact CD1-CD1 3.52Å; I661-L690 HydrophobicContact CD1-CD2 4.42Å; I661-L690 HydrophobicContact CD1-CG 4.48Å; I661-L690 HydrophobicContact CG1-CD1 4.09Å; I661-L690 HydrophobicContact CG1-CD2 4.43Å; R688-L690 PolarHBondContact O-N 2.93Å; L690-L692 PolarHBondContact O-N 3.03Å; L690-V693 PolarHBondContact O-N 2.79Å; L690-E694 HydrophobicContact CD1-CG 4.11Å; L690-E694 WeakPolarHBondContact CD1-OE1 3.23Å; L690-E694 PolarHBondContact O-N 3.33Å
691	I	82.2	Confident	66.1	Low	7 Å²	7	56.5 Å²	56.5	4%	0.036	27%	0.265	C	S	.	.	H	α-helix	trans	-58.8	-47.3	179.2	-68.3	172.5	0	0	0	110.8	L16 L657 N689 V693 A695	L16-I691 HydrophobicContact CD2-CD1 4.35Å; L16-I691 HydrophobicContact CD2-CG2 4.13Å; L16-I691 HydrophobicContact CG-CG2 4.2Å; L657-I691 HydrophobicContact CD2-CD1 4.15Å; N689-I691 PolarHBondContact O-N 3.39Å; N689-I691 WeakPolarHBondContact OD1-CB 3.44Å; N689-I691 PolarHBondContact OD1-N 2.82Å; N689-I691 VanDerWaalsContact OD1-N 3.1Å; I691-V693 PolarHBondContact O-N 3.19Å; I691-A695 WeakPolarHBondContact O-CB 3.37Å; I691-A695 PolarHBondContact O-N 2.96Å
692	L	85.5	Confident	69	Low	25 Å²	25	49.4 Å²	49.4	13%	0.131	23%	0.228	C	C	.	.	H	α-helix	trans	-65.2	-38.5	-179.9	-67.1	-178.7	0	0	0	112.6	L20 P213 V214 A217 N689 L690 E696	L20-L692 HydrophobicContact CD2-CD2 3.46Å; L20-L692 VanDerWaalsContact CD2-CD2 3.46Å; P213-L692 HydrophobicContact CB-CD1 3.72Å; V214-L692 HydrophobicContact CG2-CD1 4.19Å; V214-L692 HydrophobicContact CG2-CG 4.4Å; A217-L692 HydrophobicContact CB-CD1 4.2Å; A217-L692 HydrophobicContact CB-CD2 3.9Å; N689-L692 HydrophobicContact CB-CB 4.1Å; N689-L692 HydrophobicContact CB-CD1 3.97Å; N689-L692 HydrophobicContact CB-CG 4.05Å; N689-L692 PolarHBondContact O-N 3.5Å; N689-L692 PolarHBondContact OD1-N 3.11Å; N689-L692 VanDerWaalsContact OD1-N 3.11Å; L690-L692 PolarHBondContact O-N 3.03Å; L692-E696 WeakPolarHBondContact O-CB 3.31Å; L692-E696 PolarHBondContact O-N 2.94Å
693	V	84.6	Confident	71.7	Confident	33 Å²	33	42.3 Å²	42.3	20%	0.2	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-47.4	-179.9	171.7	0	0	0	0	111.1	R688 N689 L690 I691 E696 E697	R688-V693 HydrophobicContact CB-CG2 3.18Å; R688-V693 HydrophobicContact CG-CG2 4.03Å; N689-V693 VanDerWaalsContact O-CG2 3.31Å; N689-V693 WeakPolarHBondContact O-CG2 3.37Å; N689-V693 PolarHBondContact O-N 3.31Å; L690-V693 PolarHBondContact O-N 2.79Å; I691-V693 PolarHBondContact O-N 3.19Å; V693-E696 PolarHBondContact O-N 3.42Å; V693-E697 WeakPolarHBondContact O-CB 3.39Å; V693-E697 PolarHBondContact O-N 2.8Å
694	E	86.2	Confident	74.6	Confident	32 Å²	32	39.5 Å²	39.5	15%	0.15	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-40.5	-178.5	-69.7	-170.5	-167.4	0	0	111.5	A649 L690 E696 E697 I698	A649-E694 WeakPolarHBondContact CB-OE2 3.33Å; L690-E694 HydrophobicContact CD1-CG 4.11Å; L690-E694 WeakPolarHBondContact CD1-OE1 3.23Å; L690-E694 PolarHBondContact O-N 3.33Å; E694-E696 VanDerWaalsContact C-N 3.33Å; E694-E696 PolarHBondContact O-N 2.83Å; E694-E697 PolarHBondContact O-N 3.23Å; E694-I698 WeakPolarHBondContact O-CG1 3.34Å; E694-I698 PolarHBondContact O-N 3.23Å
695	A	91.2	Very high	77.2	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-42.4	172.7	0	0	0	0	0	111.7	L20 I21 I691 F699 F748	L20-A695 HydrophobicContact CD2-CB 3.92Å; I21-A695 HydrophobicContact CD1-CB 4.1Å; I21-A695 HydrophobicContact CG1-CB 3.92Å; I691-A695 WeakPolarHBondContact O-CB 3.37Å; I691-A695 PolarHBondContact O-N 2.96Å; A695-F699 WeakPolarHBondContact O-CB 3.48Å; A695-F699 PolarHBondContact O-N 2.67Å; A695-F748 HydrophobicContact CB-CE1 3.93Å; A695-F748 HydrophobicContact CB-CZ 3.83Å
696	E	91.8	Very high	79.7	Confident	34 Å²	34	36.3 Å²	36.3	16%	0.159	18%	0.175	C	C	.	.	H	α-helix	trans	-61.3	-43.3	174.2	-177.3	179.2	176.5	0	0	111.5	R688 L692 V693 E694 F699 R700 F748	R688-E696 IonicContact NH2-OE2 3.12Å; L692-E696 WeakPolarHBondContact O-CB 3.31Å; L692-E696 PolarHBondContact O-N 2.94Å; V693-E696 PolarHBondContact O-N 3.42Å; E694-E696 VanDerWaalsContact C-N 3.33Å; E694-E696 PolarHBondContact O-N 2.83Å; E696-F699 PolarHBondContact O-N 2.82Å; E696-R700 HydrophobicContact CG-CG 4.45Å; E696-R700 WeakPolarHBondContact O-CB 3.44Å; E696-R700 VanDerWaalsContact O-CG 3.29Å; E696-R700 WeakPolarHBondContact O-CG 3.36Å; E696-R700 PolarHBondContact O-N 3.02Å; E696-R700 IonicContact OE1-CZ 2.81Å; E696-R700 IonicContact OE1-NE 3.47Å; E696-R700 PolarHBondContact OE1-NE 2.68Å; E696-R700 IonicContact OE1-NH2 2.66Å; E696-R700 PolarHBondContact OE1-NH2 3.09Å; E696-F748 HydrophobicContact CB-CB 4.19Å; E696-F748 HydrophobicContact CB-CD1 3.54Å; E696-F748 HydrophobicContact CB-CE1 3.99Å; E696-F748 HydrophobicContact CB-CG 3.9Å; E696-F748 HydrophobicContact CG-CB 3.73Å; E696-F748 HydrophobicContact CG-CD1 4.08Å; E696-F748 HydrophobicContact CG-CG 3.98Å
697	E	89.7	Confident	81.9	Confident	41 Å²	41	32.3 Å²	32.3	19%	0.192	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-48.9	179.5	-170.8	-174.2	144.4	0	0	111.3	N629 Y666 V693 E694 R700 K701	N629-E697 PolarHBondContact ND2-OE1 3.03Å; Y666-E697 PolarHBondContact OH-OE2 3.12Å; V693-E697 WeakPolarHBondContact O-CB 3.39Å; V693-E697 PolarHBondContact O-N 2.8Å; E694-E697 PolarHBondContact O-N 3.23Å; E697-R700 PolarHBondContact O-N 2.74Å; E697-K701 WeakPolarHBondContact O-CG 3.45Å; E697-K701 PolarHBondContact O-N 2.81Å; E697-K701 VanDerWaalsContact O-N 3.11Å; E697-K701 VanDerWaalsContact OE1-CE 3.31Å; E697-K701 WeakPolarHBondContact OE1-CE 3.48Å; E697-K701 IonicContact OE1-NZ 3.61Å; E697-K701 PolarHBondContact OE1-NZ 2.78Å
698	I	91.3	Very high	83.4	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-47.2	177.2	-66.8	166.9	0	0	0	110	I21 I485 F646 I647 T648 E694 R700 K701 I702	I21-I698 HydrophobicContact CD1-CB 3.99Å; I21-I698 HydrophobicContact CD1-CD1 4.38Å; I21-I698 HydrophobicContact CD1-CG2 3.84Å; I485-I698 HydrophobicContact CD1-CG2 4.2Å; F646-I698 HydrophobicContact CB-CG1 4.39Å; F646-I698 HydrophobicContact CB-CG2 3.8Å; F646-I698 HydrophobicContact CD1-CG2 4.38Å; F646-I698 HydrophobicContact CD2-CG2 4.33Å; F646-I698 HydrophobicContact CG-CG2 3.9Å; I647-I698 VanDerWaalsContact O-CD1 3.26Å; I647-I698 WeakPolarHBondContact O-CD1 3.44Å; T648-I698 HydrophobicContact CG2-CD1 3.84Å; E694-I698 WeakPolarHBondContact O-CG1 3.34Å; E694-I698 PolarHBondContact O-N 3.23Å; I698-R700 PolarHBondContact O-N 3.08Å; I698-K701 PolarHBondContact O-N 3.36Å; I698-I702 HydrophobicContact CG2-CD1 3.74Å; I698-I702 HydrophobicContact CG2-CG1 4.42Å; I698-I702 WeakPolarHBondContact O-CG1 3.46Å; I698-I702 PolarHBondContact O-N 3.34Å
699	F	92.8	Very high	84.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.4	-46.2	178	172.2	-104.7	0	0	0	112.5	L25 L28 A695 E696 K701 I702 I703 W744 F748 P750	L25-F699 HydrophobicContact CD2-CD2 3.82Å; L25-F699 HydrophobicContact CD2-CE2 3.84Å; L25-F699 HydrophobicContact CG-CD2 4.03Å; L25-F699 HydrophobicContact CG-CE2 4.16Å; L28-F699 HydrophobicContact CD1-CE2 4.1Å; L28-F699 HydrophobicContact CD1-CZ 3.66Å; A695-F699 WeakPolarHBondContact O-CB 3.48Å; A695-F699 PolarHBondContact O-N 2.67Å; E696-F699 PolarHBondContact O-N 2.82Å; F699-K701 PolarHBondContact O-N 3.38Å; F699-I702 PolarHBondContact O-N 2.67Å; F699-I703 HydrophobicContact CD1-CD1 3.92Å; F699-I703 HydrophobicContact CD2-CD1 4.32Å; F699-I703 HydrophobicContact CD2-CG1 4.49Å; F699-I703 HydrophobicContact CE1-CD1 3.29Å; F699-I703 HydrophobicContact CE1-CG1 4.33Å; F699-I703 HydrophobicContact CE2-CD1 3.73Å; F699-I703 HydrophobicContact CE2-CG1 4.18Å; F699-I703 HydrophobicContact CG-CD1 4.43Å; F699-I703 HydrophobicContact CZ-CD1 3.21Å; F699-I703 HydrophobicContact CZ-CG1 4.15Å; F699-I703 WeakPolarHBondContact O-CG1 3.42Å; F699-I703 PolarHBondContact O-N 3.06Å; F699-W744 AromaticContact CE1-CH2 3.86Å; F699-W744 HydrophobicContact CE1-CH2 3.86Å; F699-W744 AromaticContact CE1-CZ2 3.57Å; F699-W744 HydrophobicContact CE1-CZ2 3.57Å; F699-W744 HydrophobicContact CZ-CZ2 4.35Å; F699-F748 HydrophobicContact CB-CD2 4.12Å; F699-F748 HydrophobicContact CB-CE2 3.76Å; F699-F748 HydrophobicContact CB-CZ 4.48Å; F699-F748 AromaticContact CD1-CD2 3.41Å; F699-F748 HydrophobicContact CD1-CD2 3.41Å; F699-F748 VanDerWaalsContact CD1-CD2 3.41Å; F699-F748 AromaticContact CD1-CE2 3.87Å; F699-F748 HydrophobicContact CD1-CE2 3.87Å; F699-F748 HydrophobicContact CD1-CG 4.36Å; F699-F748 HydrophobicContact CD2-CD2 4.37Å; F699-F748 HydrophobicContact CD2-CE2 4.1Å; F699-F748 AromaticContact CE1-CD2 3.72Å; F699-F748 HydrophobicContact CE1-CD2 3.72Å; F699-F748 HydrophobicContact CE1-CE2 4.4Å; F699-F748 AromaticContact CG-CD2 3.73Å; F699-F748 HydrophobicContact CG-CD2 3.73Å; F699-F748 AromaticContact CG-CE2 3.66Å; F699-F748 HydrophobicContact CG-CE2 3.66Å; F699-F748 HydrophobicContact CZ-CD2 4.3Å; F699-P750 HydrophobicContact CE1-CG 4.47Å; F699-P750 HydrophobicContact CZ-CG 3.76Å
700	R	90.9	Very high	83.8	Confident	61 Å²	61	34.4 Å²	34.4	23%	0.23	20%	0.198	C	C	.	.	H	α-helix	trans	-65.6	-36.2	178.6	-73	-178.7	-174.5	-66.2	-3	112.9	E696 E697 I698 S704 G746	E696-R700 HydrophobicContact CG-CG 4.45Å; E696-R700 WeakPolarHBondContact O-CB 3.44Å; E696-R700 VanDerWaalsContact O-CG 3.29Å; E696-R700 WeakPolarHBondContact O-CG 3.36Å; E696-R700 PolarHBondContact O-N 3.02Å; E696-R700 IonicContact OE1-CZ 2.81Å; E696-R700 IonicContact OE1-NE 3.47Å; E696-R700 PolarHBondContact OE1-NE 2.68Å; E696-R700 IonicContact OE1-NH2 2.66Å; E696-R700 PolarHBondContact OE1-NH2 3.09Å; E697-R700 PolarHBondContact O-N 2.74Å; I698-R700 PolarHBondContact O-N 3.08Å; R700-S704 PolarHBondContact O-N 2.91Å; R700-S704 VanDerWaalsContact O-N 3.13Å; R700-G746 PolarHBondContact NH2-O 3.37Å
701	K	90.3	Very high	82.7	Confident	76 Å²	76	37.2 Å²	37.2	33%	0.33	21%	0.214	S	C	.	.	H	α-helix	trans	-63.6	-44.9	172.7	-71	176	-171.9	167.9	0	110.8	F646 E697 I698 F699 S704 I705	F646-K701 HydrophobicContact CD1-CD 4.42Å; F646-K701 HydrophobicContact CE1-CB 3.94Å; F646-K701 HydrophobicContact CE1-CD 3.7Å; F646-K701 HydrophobicContact CE1-CG 4.46Å; F646-K701 HydrophobicContact CZ-CB 3.91Å; F646-K701 HydrophobicContact CZ-CD 4.47Å; E697-K701 WeakPolarHBondContact O-CG 3.45Å; E697-K701 PolarHBondContact O-N 2.81Å; E697-K701 VanDerWaalsContact O-N 3.11Å; E697-K701 VanDerWaalsContact OE1-CE 3.31Å; E697-K701 WeakPolarHBondContact OE1-CE 3.48Å; E697-K701 IonicContact OE1-NZ 3.61Å; E697-K701 PolarHBondContact OE1-NZ 2.78Å; I698-K701 PolarHBondContact O-N 3.36Å; F699-K701 PolarHBondContact O-N 3.38Å; K701-S704 WeakPolarHBondContact O-CB 3.45Å; K701-S704 PolarHBondContact O-N 2.93Å; K701-I705 WeakPolarHBondContact O-CD1 3.24Å; K701-I705 WeakPolarHBondContact O-CG1 3.45Å; K701-I705 PolarHBondContact O-N 3.14Å
702	I	90.6	Very high	80.8	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-45.8	178.6	-67.3	169.6	0	0	0	111.3	I21 L25 I485 F646 I698 F699 S704 I705 L706	I21-I702 HydrophobicContact CG2-CD1 4.39Å; L25-I702 HydrophobicContact CD1-CD1 4.28Å; L25-I702 HydrophobicContact CD1-CG2 3.96Å; L25-I702 HydrophobicContact CD2-CB 4.45Å; L25-I702 HydrophobicContact CD2-CG2 3.72Å; I485-I702 HydrophobicContact CD1-CD1 3.45Å; I485-I702 VanDerWaalsContact CD1-CD1 3.45Å; I485-I702 HydrophobicContact CG1-CD1 3.88Å; F646-I702 HydrophobicContact CD2-CD1 4.12Å; F646-I702 HydrophobicContact CD2-CG1 3.93Å; F646-I702 HydrophobicContact CE2-CD1 4.37Å; F646-I702 HydrophobicContact CE2-CG1 3.68Å; F646-I702 HydrophobicContact CZ-CG1 4.44Å; I698-I702 HydrophobicContact CG2-CD1 3.74Å; I698-I702 HydrophobicContact CG2-CG1 4.42Å; I698-I702 WeakPolarHBondContact O-CG1 3.46Å; I698-I702 PolarHBondContact O-N 3.34Å; F699-I702 PolarHBondContact O-N 2.67Å; I702-S704 PolarHBondContact O-N 3.46Å; I702-I705 PolarHBondContact O-N 3.44Å; I702-I705 VanDerWaalsContact O-N 3.1Å; I702-L706 HydrophobicContact CG2-CD1 3.65Å; I702-L706 HydrophobicContact CG2-CG 4.04Å; I702-L706 WeakPolarHBondContact O-CB 3.45Å; I702-L706 VanDerWaalsContact O-CG 3.28Å; I702-L706 WeakPolarHBondContact O-CG 3.29Å; I702-L706 PolarHBondContact O-N 3.13Å
703	I	87.9	Confident	78.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-54.7	-42.9	174.6	-78.4	-173.8	0	0	0	111.3	L25 L28 F699 L706 G707 L708 N710 W744	L25-I703 HydrophobicContact CD2-CG1 4.46Å; L28-I703 HydrophobicContact CD1-CD1 3.58Å; L28-I703 HydrophobicContact CD1-CG1 4.35Å; F699-I703 HydrophobicContact CD1-CD1 3.92Å; F699-I703 HydrophobicContact CD2-CD1 4.32Å; F699-I703 HydrophobicContact CD2-CG1 4.49Å; F699-I703 HydrophobicContact CE1-CD1 3.29Å; F699-I703 HydrophobicContact CE1-CG1 4.33Å; F699-I703 HydrophobicContact CE2-CD1 3.73Å; F699-I703 HydrophobicContact CE2-CG1 4.18Å; F699-I703 HydrophobicContact CG-CD1 4.43Å; F699-I703 HydrophobicContact CZ-CD1 3.21Å; F699-I703 HydrophobicContact CZ-CG1 4.15Å; F699-I703 WeakPolarHBondContact O-CG1 3.42Å; F699-I703 PolarHBondContact O-N 3.06Å; I703-L706 CarbonylContact O-C 3.55Å; I703-L706 PolarHBondContact O-N 2.84Å; I703-G707 PolarHBondContact O-N 3.39Å; I703-G707 VanDerWaalsContact O-N 3.1Å; I703-L708 HydrophobicContact CB-CB 4.33Å; I703-L708 HydrophobicContact CG1-CD1 4.04Å; I703-L708 HydrophobicContact CG2-CB 3.51Å; I703-L708 HydrophobicContact CG2-CD1 4.42Å; I703-L708 PolarHBondContact O-N 3.34Å; I703-N710 WeakPolarHBondContact CG2-OD1 3.34Å; I703-W744 HydrophobicContact CD1-CE3 4.14Å; I703-W744 HydrophobicContact CD1-CH2 3.67Å; I703-W744 HydrophobicContact CD1-CZ2 4.36Å; I703-W744 HydrophobicContact CD1-CZ3 3.55Å; I703-W744 HydrophobicContact CG2-CZ3 4.21Å
704	S	87.7	Confident	76	Confident	74 Å²	74	47.7 Å²	47.7	52%	0.517	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-45	176.2	-167.7	0	0	0	0	112.3	R700 K701 I702 L706 G707	R700-S704 PolarHBondContact O-N 2.91Å; R700-S704 VanDerWaalsContact O-N 3.13Å; K701-S704 WeakPolarHBondContact O-CB 3.45Å; K701-S704 PolarHBondContact O-N 2.93Å; I702-S704 PolarHBondContact O-N 3.46Å; S704-L706 VanDerWaalsContact C-N 3.3Å; S704-L706 PolarHBondContact O-N 2.85Å; S704-G707 PolarHBondContact O-N 3.33Å; S704-G707 VanDerWaalsContact O-N 3.14Å
705	I	86.4	Confident	73.4	Confident	49 Å²	49	52.1 Å²	52.1	25%	0.251	30%	0.296	S	S	.	.	H	α-helix	trans	-62.4	-39.6	176.8	-70.1	157.2	0	0	0	111	N644 F646 K701 I702 G707	N644-I705 HydrophobicContact CB-CD1 3.83Å; N644-I705 WeakPolarHBondContact ND2-CG2 3.15Å; N644-I705 VanDerWaalsContact OD1-CD1 3.24Å; N644-I705 WeakPolarHBondContact OD1-CD1 3.25Å; F646-I705 HydrophobicContact CE2-CD1 3.84Å; F646-I705 HydrophobicContact CZ-CD1 3.6Å; K701-I705 WeakPolarHBondContact O-CD1 3.24Å; K701-I705 WeakPolarHBondContact O-CG1 3.45Å; K701-I705 PolarHBondContact O-N 3.14Å; I702-I705 PolarHBondContact O-N 3.44Å; I702-I705 VanDerWaalsContact O-N 3.1Å; I705-G707 PolarHBondContact O-N 3.46Å
706	L	84.6	Confident	70.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-1.6	178.7	-61.2	-179.8	0	0	0	112.7	D8 K30 K482 I702 I703 S704 L708 R733	D8-L706 HydrophobicContact CB-CD1 4.1Å; D8-L706 HydrophobicContact CB-CD2 4.03Å; K30-L706 HydrophobicContact CD-CD1 3.93Å; K30-L706 HydrophobicContact CG-CD1 3.93Å; K482-L706 HydrophobicContact CB-CD2 4.23Å; K482-L706 HydrophobicContact CD-CD2 3.88Å; I702-L706 HydrophobicContact CG2-CD1 3.65Å; I702-L706 HydrophobicContact CG2-CG 4.04Å; I702-L706 WeakPolarHBondContact O-CB 3.45Å; I702-L706 VanDerWaalsContact O-CG 3.28Å; I702-L706 WeakPolarHBondContact O-CG 3.29Å; I702-L706 PolarHBondContact O-N 3.13Å; I703-L706 CarbonylContact O-C 3.55Å; I703-L706 PolarHBondContact O-N 2.84Å; S704-L706 VanDerWaalsContact C-N 3.3Å; S704-L706 PolarHBondContact O-N 2.85Å; L706-L708 VanDerWaalsContact C-N 3.34Å; L706-L708 PolarHBondContact O-N 3.19Å; L706-R733 PolarHBondContact O-NH1 3.32Å
707	G	80.3	Confident	67.4	Low	63 Å²	63	58.7 Å²	58.7	65%	0.649	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	25.7	177.2	0	0	0	0	0	114.3	I703 S704 I705	I703-G707 PolarHBondContact O-N 3.39Å; I703-G707 VanDerWaalsContact O-N 3.1Å; S704-G707 PolarHBondContact O-N 3.33Å; S704-G707 VanDerWaalsContact O-N 3.14Å; I705-G707 PolarHBondContact O-N 3.46Å
708	L	72.2	Confident	64.4	Low	44 Å²	44	62.4 Å²	62.4	23%	0.23	38%	0.377	C	S	.	.			trans	-83.6	146.1	173.1	-79.5	177.1	0	0	0	110.6	L28 I703 L706 N710	L28-L708 HydrophobicContact CB-CD1 4.4Å; L28-L708 HydrophobicContact CD1-CD1 4.17Å; I703-L708 HydrophobicContact CB-CB 4.33Å; I703-L708 HydrophobicContact CG1-CD1 4.04Å; I703-L708 HydrophobicContact CG2-CB 3.51Å; I703-L708 HydrophobicContact CG2-CD1 4.42Å; I703-L708 PolarHBondContact O-N 3.34Å; L706-L708 VanDerWaalsContact C-N 3.34Å; L706-L708 PolarHBondContact O-N 3.19Å; L708-N710 PolarHBondContact O-N 3.1Å
709	P	64.1	Low	61.3	Low	98 Å²	98	68.7 Å²	68.7	64%	0.636	42%	0.416	S	S	*	.			trans	-63.7	126.8	177.8	23.7	-30.7	0	0	0	111.2
710	N	54.7	Low	58.2	Low	59 Å²	59	73.8 Å²	73.8	32%	0.316	45%	0.451	S	S	.	.			trans	-86.6	-3.1	-178.7	-108.3	-21.9	0	0	0	113.9	I703 L708 S712	I703-N710 WeakPolarHBondContact CG2-OD1 3.34Å; L708-N710 PolarHBondContact O-N 3.1Å; N710-S712 PolarHBondContact O-N 3.27Å
711	N	51.3	Low	55.1	Low	84 Å²	84	74.8 Å²	74.8	45%	0.449	48%	0.481	S	S	.	.			trans	-86.9	115.5	-160.7	-82.5	-1.5	0	0	0	114.2	Q713 N714	N711-Q713 HydrophobicContact CB-CB 4.49Å; N711-Q713 PolarHBondContact O-N 3.3Å; N711-N714 HydrophobicContact CB-CB 4.38Å; N711-N714 PolarHBondContact ND2-OD1 2.88Å; N711-N714 VanDerWaalsContact ND2-OD1 3.13Å
712	S	42.5	Very low	52.1	Low	87 Å²	87	77.2 Å²	77.2	61%	0.608	50%	0.502	S	S	*	.	S	Bend	trans	-66.3	-13	149.7	49.5	0	0	0	0	113	N710	N710-S712 PolarHBondContact O-N 3.27Å
713	Q	37.4	Very low	49	Very low	102 Å²	102	84.6 Å²	84.6	48%	0.477	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-87.3	-16.3	-173.9	-66.7	-155.1	-22.8	0	0	115.8	L673 N711 L715 A716	L673-Q713 VanDerWaalsContact CD2-NE2 3.31Å; N711-Q713 HydrophobicContact CB-CB 4.49Å; N711-Q713 PolarHBondContact O-N 3.3Å; Q713-L715 PolarHBondContact O-N 3.36Å; Q713-A716 PolarHBondContact O-N 3.38Å
714	N	33.1	Very low	46.1	Very low	96 Å²	96	92.2 Å²	92.2	51%	0.513	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-76.6	-5	-177	-78.7	10.6	0	0	0	114	N711 A716	N711-N714 HydrophobicContact CB-CB 4.38Å; N711-N714 PolarHBondContact ND2-OD1 2.88Å; N711-N714 VanDerWaalsContact ND2-OD1 3.13Å; N714-A716 VanDerWaalsContact C-N 3.33Å
715	L	31.7	Very low	43.2	Very low	124 Å²	124	95.6 Å²	95.6	65%	0.649	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-78.5	-13.7	171.7	-101.5	87.7	0	0	0	113.8	Q713	Q713-L715 PolarHBondContact O-N 3.36Å
716	A	29.6	Very low	40.3	Very low	87 Å²	87	100.4 Å²	100.4	72%	0.719	62%	0.621	S	S	*	*	S	Bend	trans	-90.1	-7.8	-178	0	0	0	0	0	114.1	Q713 N714	Q713-A716 PolarHBondContact O-N 3.38Å; N714-A716 VanDerWaalsContact C-N 3.33Å
717	S	26.4	Very low	37.5	Very low	86 Å²	86	105.9 Å²	105.9	60%	0.601	66%	0.659	S	S	*	*			trans	-112	48	-177.5	65.5	0	0	0	0	112.6
718	T	26.4	Very low	34.9	Very low	119 Å²	119	108.7 Å²	108.7	73%	0.73	66%	0.664	S	S	*	*	S	Bend	trans	-114.8	50.7	163.1	53.3	0	0	0	0	110.5
719	T	27.4	Very low	32.7	Very low	134 Å²	134	111.6 Å²	111.6	82%	0.822	69%	0.688	S	S	*	*	S	Bend	trans	-158.4	58.1	163.5	40.8	0	0	0	0	111.5
720	S	27.3	Very low	30.9	Very low	106 Å²	106	114.8 Å²	114.8	74%	0.741	69%	0.694	S	S	*	*			trans	-159.4	95.1	152.9	53	0	0	0	0	109.9	T722	S720-T722 PolarHBondContact O-N 3.44Å
721	G	25.7	Very low	29.6	Very low	83 Å²	83	117.4 Å²	117.4	86%	0.856	71%	0.713	S	S	*	*			trans	-65.6	116.3	171.4	0	0	0	0	0	110.5
722	T	26.4	Very low	28.5	Very low	126 Å²	126	118.9 Å²	118.9	77%	0.773	73%	0.729	S	S	*	*			trans	-143.7	113.2	151.3	39.6	0	0	0	0	107.1	S720 N724	S720-T722 PolarHBondContact O-N 3.44Å; T722-N724 PolarHBondContact O-N 2.86Å
723	N	26.2	Very low	28.2	Very low	156 Å²	156	120.5 Å²	120.5	83%	0.834	72%	0.722	S	S	*	*			trans	-46.2	123.8	171.9	-65.2	-19	0	0	0	110.8
724	N	27.3	Very low	28.5	Very low	159 Å²	159	118.9 Å²	118.9	85%	0.85	72%	0.722	S	S	*	*			trans	-147	129.8	152.5	-90.6	-28.9	0	0	0	107.9	T722	T722-N724 PolarHBondContact O-N 2.86Å
725	D	25.5	Very low	29.2	Very low	146 Å²	146	116.3 Å²	116.3	78%	0.781	71%	0.71	S	S	*	*			trans	-71.3	143.1	-162.4	-61.1	-48.3	0	0	0	114.3
726	D	26.1	Very low	30.2	Very low	149 Å²	149	116.7 Å²	116.7	80%	0.797	71%	0.71	S	S	*	*			trans	37.2	94.6	138.8	-69.1	-17.8	0	0	0	119.3
727	S	25.4	Very low	31.6	Very low	116 Å²	116	113.6 Å²	113.6	81%	0.811	68%	0.68	S	S	*	*			trans	-159.3	56.7	135	49.6	0	0	0	0	111.1	S729	S727-S729 VanDerWaalsContact C-N 3.3Å; S727-S729 PolarHBondContact O-N 3.12Å
728	T	26.5	Very low	32.8	Very low	121 Å²	121	112.9 Å²	112.9	74%	0.742	67%	0.672	S	S	*	*			trans	-73.5	89.6	164.8	23.9	0	0	0	0	108.6	Q730	T728-Q730 PolarHBondContact O-N 3.2Å
729	S	26	Very low	34.1	Very low	105 Å²	105	108.8 Å²	108.8	73%	0.734	65%	0.647	S	S	*	*			trans	-62.4	91.3	160.8	60.2	0	0	0	0	107.7	S727 T731	S727-S729 VanDerWaalsContact C-N 3.3Å; S727-S729 PolarHBondContact O-N 3.12Å; S729-T731 VanDerWaalsContact C-N 3.28Å; S729-T731 PolarHBondContact O-N 3.14Å
730	Q	26.5	Very low	34.9	Very low	166 Å²	166	107.7 Å²	107.7	78%	0.776	64%	0.635	S	S	*	*			trans	-62.9	95.5	168.2	-70.3	-178.7	-7.2	0	0	106.9	T728 S732	T728-Q730 PolarHBondContact O-N 3.2Å; Q730-S732 PolarHBondContact O-N 3.02Å; Q730-S732 PolarHBondContact O-OG 3.17Å
731	T	27	Very low	35.9	Very low	114 Å²	114	108.4 Å²	108.4	70%	0.699	63%	0.63	S	S	*	*			trans	-66.7	89.9	164	40.5	0	0	0	0	106.8	S729 R733	S729-T731 VanDerWaalsContact C-N 3.28Å; S729-T731 PolarHBondContact O-N 3.14Å; T731-R733 PolarHBondContact O-N 3.11Å
732	S	27.9	Very low	37.1	Very low	115 Å²	115	106.3 Å²	106.3	80%	0.804	61%	0.605	S	S	*	*			trans	-64.4	77.3	169.2	-45.6	0	0	0	0	108.5	Q730	Q730-S732 PolarHBondContact O-N 3.02Å; Q730-S732 PolarHBondContact O-OG 3.17Å
733	R	37.4	Very low	38.9	Very low	120 Å²	120	105.9 Å²	105.9	45%	0.453	60%	0.602	S	S	.	*			trans	-85.8	123.6	165.3	-77.9	-171	-179.1	169.3	8.3	106.8	L706 T731 T735	L706-R733 PolarHBondContact O-NH1 3.32Å; T731-R733 PolarHBondContact O-N 3.11Å; R733-T735 PolarHBondContact O-N 3.2Å
734	S	42.1	Very low	41.2	Very low	69 Å²	69	100.2 Å²	100.2	48%	0.483	57%	0.569	S	S	.	*			trans	-53.8	100.7	170.8	167.7	0	0	0	0	108.5	E763	S734-E763 VanDerWaalsContact CB-OE1 3.28Å; S734-E763 WeakPolarHBondContact CB-OE1 3.41Å; S734-E763 PolarHBondContact OG-OE1 3.02Å
735	T	48	Very low	43.7	Very low	41 Å²	41	95.2 Å²	95.2	25%	0.252	54%	0.542	S	S	.	.			trans	-97.2	135	161.6	52.8	0	0	0	0	106.2	R733 Y737	R733-T735 PolarHBondContact O-N 3.2Å; T735-Y737 VanDerWaalsContact CB-O 3.22Å; T735-Y737 WeakPolarHBondContact CB-O 3.48Å; T735-Y737 PolarHBondContact O-N 2.78Å; T735-Y737 VanDerWaalsContact O-N 3.09Å; T735-Y737 PolarHBondContact OG1-O 3.18Å
736	M	54.3	Low	46.4	Very low	133 Å²	133	88.5 Å²	88.5	66%	0.655	51%	0.507	S	S	*	.	S	Bend	trans	-61	-22.7	-179.1	-150.8	-178	-161.5	0	0	111.7	V761	M736-V761 PolarHBondContact O-N 2.78Å
737	Y	57.8	Low	49.2	Very low	21 Å²	21	86.5 Å²	86.5	8%	0.082	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	157.3	172.5	55.8	-87.7	0	0	0	110.5	S26 F402 T735 T739 I758 I759	S26-Y737 PolarHBondContact O-OH 3.41Å; F402-Y737 HydrophobicContact CB-CE1 4.47Å; F402-Y737 WeakPolarHBondContact CB-OH 3.28Å; F402-Y737 HydrophobicContact CD1-CE1 4.04Å; F402-Y737 AromaticContact CD1-CE2 3.95Å; F402-Y737 HydrophobicContact CD1-CE2 3.95Å; F402-Y737 AromaticContact CD1-CZ 3.44Å; F402-Y737 VanDerWaalsContact CD1-CZ 3.44Å; F402-Y737 WeakPolarHBondContact CD1-OH 3.43Å; F402-Y737 HydrophobicContact CE1-CE2 4.32Å; F402-Y737 WeakPolarHBondContact CG-OH 3.39Å; T735-Y737 VanDerWaalsContact CB-O 3.22Å; T735-Y737 WeakPolarHBondContact CB-O 3.48Å; T735-Y737 PolarHBondContact O-N 2.78Å; T735-Y737 VanDerWaalsContact O-N 3.09Å; T735-Y737 PolarHBondContact OG1-O 3.18Å; Y737-T739 HydrophobicContact CD2-CG2 4.28Å; Y737-T739 HydrophobicContact CE2-CG2 4.39Å; Y737-I758 HydrophobicContact CD2-CG2 4.09Å; Y737-I758 HydrophobicContact CG-CG2 3.97Å; Y737-I759 CarbonylContact C-O 3.59Å; Y737-I759 WeakPolarHBondContact CA-O 3.39Å; Y737-I759 WeakPolarHBondContact CB-O 3.29Å
738	T	52.2	Low	52	Low	72 Å²	72	82.2 Å²	82.2	44%	0.442	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.3	167.9	-66.9	0	0	0	0	107.8	I759	T738-I759 PolarHBondContact N-O 2.83Å; T738-I759 WeakPolarHBondContact O-CB 3.17Å; T738-I759 PolarHBondContact O-N 2.89Å
739	T	53.4	Low	55	Low	32 Å²	32	76.5 Å²	76.5	20%	0.196	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.9	171.7	47.9	0	0	0	0	108.8	Y737 D741 A742 P753 D757	Y737-T739 HydrophobicContact CD2-CG2 4.28Å; Y737-T739 HydrophobicContact CE2-CG2 4.39Å; T739-D741 VanDerWaalsContact C-N 3.26Å; T739-D741 PolarHBondContact O-N 2.89Å; T739-A742 HydrophobicContact CG2-CB 4.13Å; T739-A742 WeakPolarHBondContact OG1-CB 3.47Å; T739-P753 HydrophobicContact CG2-CB 3.5Å; T739-P753 HydrophobicContact CG2-CG 3.69Å; T739-D757 WeakPolarHBondContact CA-O 3.36Å
740	I	45.2	Very low	58	Low	112 Å²	112	71.6 Å²	71.6	57%	0.574	39%	0.391	S	S	*	.	S	Bend	trans	-58.8	-40.4	-179.5	-71.1	164.5	0	0	0	111.1	I759	I740-I759 HydrophobicContact CD1-CD1 3.37Å; I740-I759 HydrophobicContact CD1-CG1 4.04Å; I740-I759 HydrophobicContact CG1-CD1 3.48Å; I740-I759 VanDerWaalsContact CG1-CD1 3.48Å; I740-I759 HydrophobicContact CG1-CG1 4.19Å
741	D	46.9	Very low	61	Low	120 Å²	120	69.7 Å²	69.7	64%	0.642	38%	0.38	S	S	*	.	S	Bend	trans	-117.6	-5.5	-167.7	-74.2	-39.7	0	0	0	115.5	T739 V743	T739-D741 VanDerWaalsContact C-N 3.26Å; T739-D741 PolarHBondContact O-N 2.89Å; D741-V743 PolarHBondContact O-N 2.75Å
742	A	52.2	Low	63.7	Low	39 Å²	39	64.8 Å²	64.8	32%	0.322	35%	0.351	S	S	.	.			trans	-85.2	61.2	-179.2	0	0	0	0	0	112	T739 W744 P753	T739-A742 HydrophobicContact CG2-CB 4.13Å; T739-A742 WeakPolarHBondContact OG1-CB 3.47Å; A742-W744 PolarHBondContact O-N 3.04Å; A742-P753 HydrophobicContact CB-CB 4.23Å
743	V	64.2	Low	66.3	Low	118 Å²	118	60 Å²	60	72%	0.715	32%	0.317	S	S	*	.			trans	-64	117	159.2	-179.3	0	0	0	0	106.7	D741 D745	D741-V743 PolarHBondContact O-N 2.75Å; V743-D745 PolarHBondContact O-N 3.24Å; V743-D745 VanDerWaalsContact O-N 3.14Å
744	W	74.6	Confident	68.1	Low	37 Å²	37	58.4 Å²	58.4	14%	0.14	32%	0.315	C	S	.	.			trans	-54.6	122.3	178.3	177.1	38.7	0	0	0	110.3	L28 F699 I703 A742 G746 Q747	L28-W744 HydrophobicContact CD2-CB 3.94Å; L28-W744 HydrophobicContact CD2-CG 4.18Å; F699-W744 AromaticContact CE1-CH2 3.86Å; F699-W744 HydrophobicContact CE1-CH2 3.86Å; F699-W744 AromaticContact CE1-CZ2 3.57Å; F699-W744 HydrophobicContact CE1-CZ2 3.57Å; F699-W744 HydrophobicContact CZ-CZ2 4.35Å; I703-W744 HydrophobicContact CD1-CE3 4.14Å; I703-W744 HydrophobicContact CD1-CH2 3.67Å; I703-W744 HydrophobicContact CD1-CZ2 4.36Å; I703-W744 HydrophobicContact CD1-CZ3 3.55Å; I703-W744 HydrophobicContact CG2-CZ3 4.21Å; A742-W744 PolarHBondContact O-N 3.04Å; W744-G746 PolarHBondContact O-N 2.74Å; W744-Q747 PolarHBondContact NE1-O 3.31Å
745	D	79.3	Confident	69.5	Low	53 Å²	53	59.5 Å²	59.5	28%	0.283	32%	0.32	S	S	.	.			trans	-70.3	6.8	-178	67.7	-7.5	0	0	0	114	R220 V743 Q747	R220-D745 IonicContact CZ-OD2 2.84Å; R220-D745 IonicContact NH1-OD2 2.67Å; R220-D745 PolarHBondContact NH1-OD2 3.17Å; R220-D745 IonicContact NH2-OD1 3.54Å; R220-D745 PolarHBondContact NH2-OD1 2.87Å; R220-D745 IonicContact NH2-OD2 3.09Å; R220-D745 PolarHBondContact NH2-OD2 3.49Å; V743-D745 PolarHBondContact O-N 3.24Å; V743-D745 VanDerWaalsContact O-N 3.14Å; D745-Q747 PolarHBondContact O-N 2.8Å; D745-Q747 WeakPolarHBondContact OD1-CB 3.33Å; D745-Q747 PolarHBondContact OD1-N 3.17Å
746	G	82.1	Confident	70.5	Confident	5 Å²	5	64.5 Å²	64.5	5%	0.052	34%	0.341	C	S	.	.	S	Bend	trans	72.9	0.8	-176	0	0	0	0	0	114.2	R700 W744	R700-G746 PolarHBondContact NH2-O 3.37Å; W744-G746 PolarHBondContact O-N 2.74Å
747	Q	83.7	Confident	71.3	Confident	107 Å²	107	60.3 Å²	60.3	50%	0.5	32%	0.321	S	S	.	.			trans	-98.6	143.8	179.3	-60.6	-176.9	23.9	0	0	111.4	R220 W744 D745 P749	R220-Q747 PolarHBondContact NH2-O 2.98Å; W744-Q747 PolarHBondContact NE1-O 3.31Å; D745-Q747 PolarHBondContact O-N 2.8Å; D745-Q747 WeakPolarHBondContact OD1-CB 3.33Å; D745-Q747 PolarHBondContact OD1-N 3.17Å; Q747-P749 CarbonylContact O-C 3.59Å; Q747-P749 VanDerWaalsContact O-C 3.31Å
748	F	84.7	Confident	71.8	Confident	26 Å²	26	61.8 Å²	61.8	11%	0.114	33%	0.33	C	S	.	.	S	Bend	trans	-105.2	139	178.2	178.4	-99.4	0	0	0	111	L20 S24 A695 E696 F699	L20-F748 HydrophobicContact CD2-CE1 3.41Å; L20-F748 VanDerWaalsContact CD2-CE1 3.41Å; L20-F748 HydrophobicContact CD2-CZ 3.52Å; L20-F748 HydrophobicContact CG-CE1 3.96Å; L20-F748 HydrophobicContact CG-CE2 4.49Å; L20-F748 HydrophobicContact CG-CZ 3.59Å; S24-F748 VanDerWaalsContact OG-CE2 3.27Å; S24-F748 WeakPolarHBondContact OG-CE2 3.37Å; A695-F748 HydrophobicContact CB-CE1 3.93Å; A695-F748 HydrophobicContact CB-CZ 3.83Å; E696-F748 HydrophobicContact CB-CB 4.19Å; E696-F748 HydrophobicContact CB-CD1 3.54Å; E696-F748 HydrophobicContact CB-CE1 3.99Å; E696-F748 HydrophobicContact CB-CG 3.9Å; E696-F748 HydrophobicContact CG-CB 3.73Å; E696-F748 HydrophobicContact CG-CD1 4.08Å; E696-F748 HydrophobicContact CG-CG 3.98Å; F699-F748 HydrophobicContact CB-CD2 4.12Å; F699-F748 HydrophobicContact CB-CE2 3.76Å; F699-F748 HydrophobicContact CB-CZ 4.48Å; F699-F748 AromaticContact CD1-CD2 3.41Å; F699-F748 HydrophobicContact CD1-CD2 3.41Å; F699-F748 VanDerWaalsContact CD1-CD2 3.41Å; F699-F748 AromaticContact CD1-CE2 3.87Å; F699-F748 HydrophobicContact CD1-CE2 3.87Å; F699-F748 HydrophobicContact CD1-CG 4.36Å; F699-F748 HydrophobicContact CD2-CD2 4.37Å; F699-F748 HydrophobicContact CD2-CE2 4.1Å; F699-F748 AromaticContact CE1-CD2 3.72Å; F699-F748 HydrophobicContact CE1-CD2 3.72Å; F699-F748 HydrophobicContact CE1-CE2 4.4Å; F699-F748 AromaticContact CG-CD2 3.73Å; F699-F748 HydrophobicContact CG-CD2 3.73Å; F699-F748 AromaticContact CG-CE2 3.66Å; F699-F748 HydrophobicContact CG-CE2 3.66Å; F699-F748 HydrophobicContact CZ-CD2 4.3Å
749	P	90.7	Very high	72.4	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.013	33%	0.329	C	S	.	.	S	Bend	cis	-67	156.5	-13.4	30.5	-35.1	0	0	0	111.3	L20 S24 A217 R220 A221 Q747	L20-P749 HydrophobicContact CD1-CB 4.05Å; L20-P749 HydrophobicContact CD1-CG 4.08Å; S24-P749 WeakPolarHBondContact OG-CB 3.29Å; A217-P749 HydrophobicContact CB-CG 4.07Å; A217-P749 WeakPolarHBondContact O-CG 3.5Å; R220-P749 HydrophobicContact CB-CG 4.33Å; R220-P749 PolarHBondContact NE-O 2.66Å; R220-P749 VanDerWaalsContact NE-O 3.09Å; R220-P749 PolarHBondContact NH2-O 3.12Å; A221-P749 HydrophobicContact CB-CB 4.28Å; A221-P749 HydrophobicContact CB-CG 3.92Å; Q747-P749 CarbonylContact O-C 3.59Å; Q747-P749 VanDerWaalsContact O-C 3.31Å
750	P	88.5	Confident	72.9	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.013	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-55.4	150.4	169.6	-22	33.3	0	0	0	111.1	S24 I27 L28 F699	S24-P750 VanDerWaalsContact CB-CD 3.47Å; S24-P750 WeakPolarHBondContact OG-CD 3.49Å; I27-P750 HydrophobicContact CG2-CB 3.92Å; L28-P750 HydrophobicContact CD1-CG 4.29Å; L28-P750 HydrophobicContact CD2-CB 4.33Å; L28-P750 HydrophobicContact CD2-CG 4.28Å; L28-P750 HydrophobicContact CG-CG 4.16Å; F699-P750 HydrophobicContact CE1-CG 4.47Å; F699-P750 HydrophobicContact CZ-CG 3.76Å
751	K	88.6	Confident	73.5	Confident	126 Å²	126	63.3 Å²	63.3	55%	0.548	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-71.4	136.1	170	-67.8	-175.5	-177.4	178.2	0	109.4	I27 R220	I27-K751 WeakPolarHBondContact CG2-O 3.41Å; R220-K751 WeakPolarHBondContact O-CA 3.38Å
752	A	84.7	Confident	73.9	Confident	11 Å²	11	61.7 Å²	61.7	9%	0.091	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-64.2	133.4	169.7	0	0	0	0	0	109.1	I27 D222 M398 F402	I27-A752 HydrophobicContact CD1-CB 4.28Å; D222-A752 HydrophobicContact CB-CB 4.07Å; M398-A752 HydrophobicContact CE-CB 4.16Å; M398-A752 HydrophobicContact SD-CB 4.36Å; F402-A752 HydrophobicContact CE2-CB 4.24Å; F402-A752 HydrophobicContact CZ-CB 4.42Å
753	P	81	Confident	73.9	Confident	13 Å²	13	65.8 Å²	65.8	8%	0.084	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-62	148.8	171.3	27.4	-36.1	0	0	0	110.2	F402 T739 A742 I758	F402-P753 HydrophobicContact CE1-CG 3.51Å; F402-P753 VanDerWaalsContact CZ-CD 3.48Å; F402-P753 HydrophobicContact CZ-CG 3.53Å; T739-P753 HydrophobicContact CG2-CB 3.5Å; T739-P753 HydrophobicContact CG2-CG 3.69Å; A742-P753 HydrophobicContact CB-CB 4.23Å; P753-I758 HydrophobicContact CB-CG1 4.35Å; P753-I758 HydrophobicContact CG-CD1 4.4Å; P753-I758 HydrophobicContact CG-CG1 4.17Å
754	Q	76.9	Confident	73.5	Confident	87 Å²	87	64.9 Å²	64.9	41%	0.407	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-68.7	147.8	172.6	-60.3	-58.4	-38.4	0	0	109.4	E756 D757	Q754-E756 VanDerWaalsContact CB-CD 3.42Å; Q754-E756 HydrophobicContact CB-CG 3.88Å; Q754-E756 PolarHBondContact O-N 3.41Å; Q754-E756 VanDerWaalsContact O-N 3.11Å; Q754-D757 WeakPolarHBondContact CB-OD2 3.3Å; Q754-D757 PolarHBondContact N-OD2 2.91Å; Q754-D757 WeakPolarHBondContact O-CB 3.37Å; Q754-D757 PolarHBondContact O-N 3.25Å
755	P	70.3	Confident	72.1	Confident	93 Å²	93	67.3 Å²	67.3	60%	0.604	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-51.1	-36.2	-180	-28.1	35.3	0	0	0	114	D757 I758	P755-D757 VanDerWaalsContact C-N 3.28Å; P755-D757 PolarHBondContact O-N 3.31Å; P755-I758 PolarHBondContact O-N 3.27Å
756	E	70.2	Confident	70.4	Confident	146 Å²	146	70.7 Å²	70.7	68%	0.682	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-66.5	-21.3	177	53	-93.4	-144.4	0	0	114.7	Q754	Q754-E756 VanDerWaalsContact CB-CD 3.42Å; Q754-E756 HydrophobicContact CB-CG 3.88Å; Q754-E756 PolarHBondContact O-N 3.41Å; Q754-E756 VanDerWaalsContact O-N 3.11Å
757	D	70.2	Confident	68.8	Low	44 Å²	44	75.9 Å²	75.9	24%	0.235	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-91.2	-6.6	-178.2	-57	-33.1	0	0	0	112.8	T739 Q754 P755 I759	T739-D757 WeakPolarHBondContact CA-O 3.36Å; Q754-D757 WeakPolarHBondContact CB-OD2 3.3Å; Q754-D757 PolarHBondContact N-OD2 2.91Å; Q754-D757 WeakPolarHBondContact O-CB 3.37Å; Q754-D757 PolarHBondContact O-N 3.25Å; P755-D757 VanDerWaalsContact C-N 3.28Å; P755-D757 PolarHBondContact O-N 3.31Å; D757-I759 PolarHBondContact O-N 2.67Å
758	I	67.3	Low	66.7	Low	53 Å²	53	74.9 Å²	74.9	27%	0.272	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	105.2	-175	-56.9	174.3	0	0	0	109.4	F402 Y737 P753 P755	F402-I758 HydrophobicContact CE1-CD1 3.83Å; F402-I758 HydrophobicContact CZ-CD1 4.39Å; Y737-I758 HydrophobicContact CD2-CG2 4.09Å; Y737-I758 HydrophobicContact CG-CG2 3.97Å; P753-I758 HydrophobicContact CB-CG1 4.35Å; P753-I758 HydrophobicContact CG-CD1 4.4Å; P753-I758 HydrophobicContact CG-CG1 4.17Å; P755-I758 PolarHBondContact O-N 3.27Å
759	I	65.4	Low	64.6	Low	81 Å²	81	78.8 Å²	78.8	42%	0.415	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	111.3	167.4	-58.1	-178.1	0	0	0	108.7	Y737 T738 I740 D757 V761	Y737-I759 CarbonylContact C-O 3.59Å; Y737-I759 WeakPolarHBondContact CA-O 3.39Å; Y737-I759 WeakPolarHBondContact CB-O 3.29Å; T738-I759 PolarHBondContact N-O 2.83Å; T738-I759 WeakPolarHBondContact O-CB 3.17Å; T738-I759 PolarHBondContact O-N 2.89Å; I740-I759 HydrophobicContact CD1-CD1 3.37Å; I740-I759 HydrophobicContact CD1-CG1 4.04Å; I740-I759 HydrophobicContact CG1-CD1 3.48Å; I740-I759 VanDerWaalsContact CG1-CD1 3.48Å; I740-I759 HydrophobicContact CG1-CG1 4.19Å; D757-I759 PolarHBondContact O-N 2.67Å; I759-V761 PolarHBondContact O-N 3.03Å
760	V	64.3	Low	62.4	Low	103 Å²	103	84.8 Å²	84.8	62%	0.624	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	120.1	168	-177.1	0	0	0	0	108.4	D762	V760-D762 PolarHBondContact O-N 3.02Å
761	V	58.7	Low	60.1	Low	63 Å²	63	90.4 Å²	90.4	38%	0.382	51%	0.514	S	S	.	.			trans	-80.7	102.3	175.9	-175.9	0	0	0	0	106.7	M736 I759 E763	M736-V761 PolarHBondContact O-N 2.78Å; I759-V761 PolarHBondContact O-N 3.03Å; V761-E763 PolarHBondContact O-N 3.17Å; V761-E763 VanDerWaalsContact O-N 3.09Å
762	D	54	Low	57.7	Low	87 Å²	87	89.9 Å²	89.9	47%	0.465	52%	0.521	S	S	.	.			trans	-72.8	100.5	173.2	-170.4	-10.3	0	0	0	109.1	V760 S764 V765	V760-D762 PolarHBondContact O-N 3.02Å; D762-S764 PolarHBondContact O-N 2.71Å; D762-S764 VanDerWaalsContact O-N 3.12Å; D762-S764 VanDerWaalsContact OD1-CB 3.25Å; D762-S764 WeakPolarHBondContact OD1-CB 3.36Å; D762-S764 PolarHBondContact OD1-N 3.09Å; D762-S764 PolarHBondContact OD1-OG 3.4Å; D762-S764 PolarHBondContact OD2-OG 2.9Å; D762-V765 HydrophobicContact CB-CB 4.4Å; D762-V765 HydrophobicContact CB-CG2 4.16Å; D762-V765 PolarHBondContact O-N 3.39Å
763	E	52.5	Low	55.4	Low	125 Å²	125	96 Å²	96	58%	0.584	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-16.7	177.2	-68.2	-166.1	161.9	0	0	112.9	S734 V761 V765	S734-E763 VanDerWaalsContact CB-OE1 3.28Å; S734-E763 WeakPolarHBondContact CB-OE1 3.41Å; S734-E763 PolarHBondContact OG-OE1 3.02Å; V761-E763 PolarHBondContact O-N 3.17Å; V761-E763 VanDerWaalsContact O-N 3.09Å; E763-V765 VanDerWaalsContact C-N 3.26Å
764	S	55.7	Low	53.3	Low	99 Å²	99	103.8 Å²	103.8	69%	0.692	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-16.3	173.3	79	0	0	0	0	113.1	D762	D762-S764 PolarHBondContact O-N 2.71Å; D762-S764 VanDerWaalsContact O-N 3.12Å; D762-S764 VanDerWaalsContact OD1-CB 3.25Å; D762-S764 WeakPolarHBondContact OD1-CB 3.36Å; D762-S764 PolarHBondContact OD1-N 3.09Å; D762-S764 PolarHBondContact OD1-OG 3.4Å; D762-S764 PolarHBondContact OD2-OG 2.9Å
765	V	45.4	Very low	51.5	Low	87 Å²	87	105.4 Å²	105.4	53%	0.527	60%	0.601	S	S	.	*	S	Bend	trans	-110	70.7	178.2	-169.8	0	0	0	0	109	D762 E763	D762-V765 HydrophobicContact CB-CB 4.4Å; D762-V765 HydrophobicContact CB-CG2 4.16Å; D762-V765 PolarHBondContact O-N 3.39Å; E763-V765 VanDerWaalsContact C-N 3.26Å
766	N	42.8	Very low	50.1	Low	125 Å²	125	106.2 Å²	106.2	67%	0.668	61%	0.607	S	S	*	*			trans	-122.3	132.3	168.2	-120.5	-21	0	0	0	110.1	P768	N766-P768 WeakPolarHBondContact OD1-CD 2.91Å
767	P	48.8	Very low	48.8	Very low	113 Å²	113	108.3 Å²	108.3	73%	0.734	62%	0.616	S	S	*	*	S	Bend	cis	-95.8	153.5	7.2	31.7	-20.3	0	0	0	113.4
768	P	39.3	Very low	47.5	Very low	86 Å²	86	114.8 Å²	114.8	56%	0.558	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-63.1	148.8	-174.6	26.7	-34.8	0	0	0	111.4	N766 V770	N766-P768 WeakPolarHBondContact OD1-CD 2.91Å; P768-V770 PolarHBondContact O-N 3.16Å; P768-V770 VanDerWaalsContact O-N 3.11Å
769	P	41.9	Very low	46.5	Very low	108 Å²	108	119.3 Å²	119.3	70%	0.701	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-61.4	118.6	178.7	23.5	-30.8	0	0	0	110.1	V771	P769-V771 PolarHBondContact O-N 2.83Å
770	V	44.7	Very low	45.2	Very low	128 Å²	128	124.6 Å²	124.6	78%	0.776	69%	0.693	S	S	*	*			trans	-64.1	102.8	168.8	178.4	0	0	0	0	107.1	P768 T772	P768-V770 PolarHBondContact O-N 3.16Å; P768-V770 VanDerWaalsContact O-N 3.11Å; V770-T772 PolarHBondContact O-N 3.11Å
771	V	39.5	Very low	44	Very low	121 Å²	121	130.7 Å²	130.7	73%	0.733	72%	0.722	S	S	*	*			trans	-79.6	95.9	169.8	-178.6	0	0	0	0	107.1	P769 I773	P769-V771 PolarHBondContact O-N 2.83Å; V771-I773 HydrophobicContact CG1-CG1 4.44Å; V771-I773 PolarHBondContact O-N 2.95Å
772	T	37.9	Very low	43.3	Very low	114 Å²	114	134.1 Å²	134.1	70%	0.699	74%	0.739	S	S	*	*			trans	-71.8	105.2	170.5	-32.7	0	0	0	0	107.9	V770 E774	V770-T772 PolarHBondContact O-N 3.11Å; T772-E774 PolarHBondContact O-N 3.06Å
773	I	36.2	Very low	42.7	Very low	140 Å²	140	136.5 Å²	136.5	72%	0.718	75%	0.753	S	S	*	*			trans	-75.5	104.1	171.2	-58.2	173.8	0	0	0	106.6	V771 V775	V771-I773 HydrophobicContact CG1-CG1 4.44Å; V771-I773 PolarHBondContact O-N 2.95Å; I773-V775 PolarHBondContact O-N 3.18Å
774	E	36.4	Very low	42.1	Very low	177 Å²	177	137.2 Å²	137.2	83%	0.827	76%	0.763	S	S	*	*			trans	-66.6	101.6	167.6	-74.7	-175.9	166.4	0	0	108.1	T772 P776	T772-E774 PolarHBondContact O-N 3.06Å; E774-P776 WeakPolarHBondContact O-CD 3.48Å
775	V	40.2	Very low	41.4	Very low	120 Å²	120	139.4 Å²	139.4	73%	0.727	77%	0.767	S	S	*	*			trans	-65.3	121.2	167.7	-179.4	0	0	0	0	106.6	I773 Q777	I773-V775 PolarHBondContact O-N 3.18Å; V775-Q777 PolarHBondContact O-N 3.43Å
776	P	41.3	Very low	41.1	Very low	110 Å²	110	142.7 Å²	142.7	71%	0.714	78%	0.782	S	S	*	*			trans	-56.5	126.8	176.5	-18.9	29.8	0	0	0	108.5	E774 E778	E774-P776 WeakPolarHBondContact O-CD 3.48Å; P776-E778 PolarHBondContact O-N 3.47Å
777	Q	42.4	Very low	41	Very low	190 Å²	190	143.9 Å²	143.9	89%	0.888	79%	0.789	S	S	*	*			trans	-56.3	110.9	171	-72.9	-176.4	-42.5	0	0	107.5	V775 D779	V775-Q777 PolarHBondContact O-N 3.43Å; Q777-D779 PolarHBondContact O-N 3.12Å
778	E	43.4	Very low	40.4	Very low	181 Å²	181	146.1 Å²	146.1	85%	0.846	79%	0.793	S	S	*	*			trans	-54.7	111.6	163	-78.1	-179.6	152.3	0	0	106.7	P776 Q780	P776-E778 PolarHBondContact O-N 3.47Å; E778-Q780 PolarHBondContact O-N 3.21Å
779	D	45.9	Very low	40.5	Very low	148 Å²	148	150.7 Å²	150.7	79%	0.791	81%	0.811	S	S	*	*			trans	-51.4	109.5	165.2	-86.1	-38.4	0	0	0	106.8	Q777 N781	Q777-D779 PolarHBondContact O-N 3.12Å; D779-N781 PolarHBondContact O-N 3.4Å
780	Q	37.3	Very low	40.4	Very low	192 Å²	192	154.3 Å²	154.3	90%	0.897	82%	0.821	S	S	*	*			trans	-69.8	84	168	-72.6	-173.2	-4.6	0	0	108.2	E778	E778-Q780 PolarHBondContact O-N 3.21Å
781	N	39.7	Very low	40	Very low	230 Å²	230	156.6 Å²	156.6	100%	1.23	83%	0.825	S	S	*	*			trans	-163.2	0	154.7	-90.3	-28.7	0	0	0	108	D779	D779-N781 PolarHBondContact O-N 3.4Å

Retrieved 781 of 781 residues in 1401.9 ms (Link to these results)

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