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Ribonuclease J 2

An RNase that has 5'-3' exonuclease and endonuclease activity, with the exonuclease activity probably being most important in vivo. Involved in maturation of 16S rRNA, rnpB (the RNA component of RNase P) maturation and degradation, and mRNA maturation and/or decay. This subunit probably plays a structural rather than enzymatic role as mutation of its putative active site gives no phenotype, and its deletion is partially complemented by inactive RNase J1.

AlphaFold DB , UniProt , Accession Q2FZ19, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene rnj2, Length 557 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	59	Low	86.5	Confident	209 Å²	209	90.5 Å²	90.5	100%	1.03	44%	0.443	S	S	*	.				0	134.9	0	-83.2	-179	-171.6	0	0	106.7	L3	M1-L3 PolarHBondContact O-N 3.34Å
2	S	81.8	Confident	87.5	Confident	90 Å²	90	86.1 Å²	86.1	63%	0.629	42%	0.418	S	S	*	.			trans	-58.2	130.6	175.7	-178.5	0	0	0	0	110.2	I4	S2-I4 WeakPolarHBondContact OG-CB 3.48Å; S2-I4 PolarHBondContact OG-N 3.4Å; S2-I4 VanDerWaalsContact OG-N 3.14Å; S2-I4 PolarHBondContact OG-O 3.14Å
3	L	84.3	Confident	88.3	Confident	25 Å²	25	79.8 Å²	79.8	13%	0.131	39%	0.388	C	S	.	.	S	Bend	trans	-79.2	-13	170.8	-65.6	173.5	0	0	0	111.5	M1 I129 N136 H155	M1-L3 PolarHBondContact O-N 3.34Å; L3-I129 HydrophobicContact CD2-CD1 3.88Å; L3-I129 HydrophobicContact CD2-CG1 4.31Å; L3-I129 HydrophobicContact CD2-CG2 3.92Å; L3-N136 HydrophobicContact CD2-CB 4.42Å; L3-N136 PolarHBondContact O-ND2 3.02Å; L3-H155 HydrophobicContact CB-CB 3.93Å; L3-H155 VanDerWaalsContact CD1-CE1 3.42Å; L3-H155 WeakPolarHBondContact CD1-CE1 3.17Å
4	I	85	Confident	89.1	Confident	84 Å²	84	74.1 Å²	74.1	43%	0.431	36%	0.36	S	S	.	.			trans	-79.4	126.1	175.8	-54.2	175.7	0	0	0	109.4	S2	S2-I4 WeakPolarHBondContact OG-CB 3.48Å; S2-I4 PolarHBondContact OG-N 3.4Å; S2-I4 VanDerWaalsContact OG-N 3.14Å; S2-I4 PolarHBondContact OG-O 3.14Å
5	K	83.8	Confident	89.7	Confident	89 Å²	89	69.5 Å²	69.5	39%	0.387	34%	0.338	S	S	.	.			trans	-92.6	-44.4	-180	-74.1	-163.9	162.4	-178.6	0	114.2	F132 N136	K5-F132 WeakPolarHBondContact CD-O 3.3Å; K5-F132 WeakPolarHBondContact CE-O 3.37Å; K5-F132 PolarHBondContact NZ-O 3.36Å; K5-N136 WeakPolarHBondContact CE-OD1 3.32Å
6	K	90.4	Very high	90.2	Very high	80 Å²	80	65.1 Å²	65.1	35%	0.348	32%	0.317	S	S	.	.	S	Bend	trans	-159.3	169	-173.4	63.9	173.7	-164	172.9	0	109.4	N8 D32 N134 S157	K6-N8 PolarHBondContact O-N 2.89Å; K6-D32 WeakPolarHBondContact CE-OD2 3.1Å; K6-D32 IonicContact NZ-OD2 3.76Å; K6-D32 PolarHBondContact NZ-OD2 3.41Å; K6-N134 VanDerWaalsContact CE-OD1 3.26Å; K6-N134 WeakPolarHBondContact CE-OD1 3.41Å; K6-N134 PolarHBondContact NZ-OD1 2.57Å; K6-S157 WeakPolarHBondContact O-CB 3.45Å
7	K	91.4	Very high	90.7	Very high	163 Å²	163	61.3 Å²	61.3	71%	0.709	30%	0.298	S	S	*	.			trans	-69	118.1	166.5	-171.2	170.8	-177.2	174.9	0	109.5
8	N	93.1	Very high	91	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	28%	0.281	C	S	.	.			trans	-81.7	146.4	174.4	-58	107.5	0	0	0	109.9	K6 V31 D32 N134 T156 S157 Y158	K6-N8 PolarHBondContact O-N 2.89Å; N8-V31 HydrophobicContact CB-CG1 3.98Å; N8-V31 WeakPolarHBondContact ND2-CG1 3.47Å; N8-D32 PolarHBondContact ND2-OD2 3.07Å; N8-D32 VanDerWaalsContact ND2-OD2 3.07Å; N8-N134 PolarHBondContact ND2-O 2.59Å; N8-T156 WeakPolarHBondContact OD1-CA 3.42Å; N8-T156 WeakPolarHBondContact OD1-CB 3.45Å; N8-S157 PolarHBondContact N-OG 3.09Å; N8-S157 PolarHBondContact OD1-N 2.95Å; N8-Y158 HydrophobicContact CB-CE2 4.3Å; N8-Y158 WeakPolarHBondContact O-CE2 3.49Å; N8-Y158 PolarHBondContact O-OH 2.77Å
9	K	91.1	Very high	91.3	Very high	157 Å²	157	54.9 Å²	54.9	68%	0.683	27%	0.267	S	S	*	.			trans	-105.3	-49.2	-177.9	-65.6	-178.5	179.1	-178.7	0	111.1	D32	K9-D32 PolarHBondContact N-OD1 3.32Å
10	D	94.2	Very high	91.4	Very high	96 Å²	96	54.2 Å²	54.2	51%	0.513	28%	0.275	S	S	.	.			trans	-117.5	127.8	-172.8	-55.4	-44.4	0	0	0	109.4	V31 D32	D10-V31 WeakPolarHBondContact O-CA 3.42Å; D10-D32 PolarHBondContact N-OD1 2.92Å; D10-D32 PolarHBondContact O-N 3.26Å
11	I	97.6	Very high	91.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.7	173.1	-65.8	173.3	0	0	0	107.3	E30 V31 T156 Y158 I161 F193 Y426	I11-E30 WeakPolarHBondContact CA-O 3.5Å; I11-V31 HydrophobicContact CG1-CG1 4.36Å; I11-T156 HydrophobicContact CD1-CG2 4.07Å; I11-Y158 HydrophobicContact CD1-CD2 3.73Å; I11-Y158 HydrophobicContact CD1-CE2 4.21Å; I11-I161 HydrophobicContact CG2-CD1 3.62Å; I11-F193 HydrophobicContact CD1-CD1 4.23Å; I11-F193 HydrophobicContact CD1-CE1 3.97Å; I11-Y426 PolarHBondContact O-N 2.89Å
12	R	98.3	Very high	93	Very high	38 Å²	38	45.5 Å²	45.5	14%	0.143	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.2	179	-45.7	179.4	59.7	-159.8	10.9	109.8	V29 E30 Y61 V423 I424 N425 E435	R12-V29 CarbonylContact O-C 3.54Å; R12-V29 WeakPolarHBondContact O-CA 3.44Å; R12-E30 HydrophobicContact CB-CB 4.08Å; R12-E30 VanDerWaalsContact CD-OE2 3.31Å; R12-E30 WeakPolarHBondContact CD-OE2 3.5Å; R12-E30 HydrophobicContact CG-CB 4.39Å; R12-E30 IonicContact CZ-OE2 2.76Å; R12-E30 PolarHBondContact N-O 3.46Å; R12-E30 IonicContact NE-OE2 3.76Å; R12-E30 IonicContact NH1-OE2 3.83Å; R12-E30 PolarHBondContact NH1-OE2 3.33Å; R12-E30 PolarHBondContact O-N 2.98Å; R12-Y61 PolarHBondContact NH1-OH 3.25Å; R12-V423 HydrophobicContact CB-CG1 4.31Å; R12-I424 WeakPolarHBondContact CA-O 3.26Å; R12-N425 WeakPolarHBondContact CD-OD1 3.44Å; R12-N425 WeakPolarHBondContact CG-OD1 2.92Å; R12-N425 PolarHBondContact NE-OD1 3.49Å; R12-E435 IonicContact CZ-OE1 2.85Å; R12-E435 IonicContact CZ-OE2 3.56Å; R12-E435 IonicContact NE-OE2 3.56Å; R12-E435 IonicContact NH2-OE1 3.98Å; R12-E435 PolarHBondContact NH2-OE1 2.69Å; R12-E435 IonicContact NH2-OE2 2.79Å; R12-E435 PolarHBondContact NH2-OE2 3.14Å
13	I	98.6	Very high	93.5	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125	176.3	-56.8	174.3	0	0	0	108	I28 V29 I161 V194 I196 I389 I424 M431	I13-I28 CarbonylContact C-O 3.55Å; I13-I28 WeakPolarHBondContact CA-O 3.33Å; I13-V29 HydrophobicContact CG1-CG2 4.44Å; I13-I161 HydrophobicContact CD1-CG2 4.26Å; I13-V194 HydrophobicContact CD1-CB 4.16Å; I13-V194 HydrophobicContact CD1-CG1 3.79Å; I13-V194 HydrophobicContact CD1-CG2 4Å; I13-I196 HydrophobicContact CD1-CD1 4.49Å; I13-I196 HydrophobicContact CG2-CD1 4.09Å; I13-I389 HydrophobicContact CB-CD1 4.43Å; I13-I389 HydrophobicContact CD1-CD1 3.81Å; I13-I389 HydrophobicContact CG2-CD1 3.99Å; I13-I424 HydrophobicContact CB-CB 4.48Å; I13-I424 PolarHBondContact N-O 2.76Å; I13-I424 PolarHBondContact O-N 2.99Å; I13-M431 HydrophobicContact CD1-CE 4.15Å
14	I	98.6	Very high	93.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	103.6	-171	-46	175.1	0	0	0	109.2	L16 I28 Y61 V423 V437	I14-L16 HydrophobicContact CG2-CD2 4.07Å; I14-L16 PolarHBondContact O-N 3.07Å; I14-I28 HydrophobicContact CB-CB 4.17Å; I14-I28 PolarHBondContact N-O 3.24Å; I14-I28 PolarHBondContact O-N 3.48Å; I14-Y61 HydrophobicContact CD1-CD1 4.37Å; I14-Y61 HydrophobicContact CD1-CE1 3.57Å; I14-Y61 HydrophobicContact CD1-CE2 4.3Å; I14-Y61 VanDerWaalsContact CD1-CZ 3.5Å; I14-Y61 WeakPolarHBondContact CD1-OH 3.43Å; I14-V423 HydrophobicContact CD1-CG1 4.24Å; I14-V423 HydrophobicContact CD1-CG2 4.1Å; I14-V423 HydrophobicContact CG1-CB 4.34Å; I14-V423 HydrophobicContact CG1-CG1 3.97Å; I14-V423 HydrophobicContact CG1-CG2 4.02Å; I14-V423 HydrophobicContact CG2-CG2 4.35Å; I14-V437 HydrophobicContact CD1-CG1 4.42Å; I14-V437 HydrophobicContact CG2-CG2 3.53Å
15	P	98.3	Very high	94.6	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	122.4	169.1	30.8	-35.3	0	0	0	110.3	V19 Y27 V418 E419 G421 D422	P15-V19 HydrophobicContact CB-CB 4.34Å; P15-V19 HydrophobicContact CB-CG1 3.61Å; P15-V19 HydrophobicContact CB-CG2 3.72Å; P15-V19 HydrophobicContact CG-CG1 4.16Å; P15-V19 HydrophobicContact CG-CG2 3.94Å; P15-Y27 HydrophobicContact CB-CD1 3.91Å; P15-Y27 HydrophobicContact CB-CE1 4.27Å; P15-V418 HydrophobicContact CG-CB 4.27Å; P15-V418 HydrophobicContact CG-CG2 3.83Å; P15-E419 WeakPolarHBondContact CG-O 3.47Å; P15-G421 PolarHBondContact O-N 2.98Å; P15-D422 WeakPolarHBondContact CD-O 3.42Å
16	L	98.3	Very high	95.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-21.7	171.2	-62.3	-178.9	0	0	0	111.9	I14 M26 I28 P57 V62 V437	I14-L16 HydrophobicContact CG2-CD2 4.07Å; I14-L16 PolarHBondContact O-N 3.07Å; L16-M26 HydrophobicContact CB-CB 4.4Å; L16-M26 HydrophobicContact CB-CG 4.24Å; L16-M26 HydrophobicContact CB-SD 4.12Å; L16-M26 HydrophobicContact CD1-SD 3.97Å; L16-M26 PolarHBondContact N-O 3.46Å; L16-I28 HydrophobicContact CD1-CD1 4.09Å; L16-I28 HydrophobicContact CD1-CG1 3.67Å; L16-I28 HydrophobicContact CG-CG1 4.03Å; L16-P57 HydrophobicContact CB-CB 4.25Å; L16-V62 HydrophobicContact CD1-CG2 3.76Å; L16-V437 HydrophobicContact CD2-CG2 4.23Å
17	G	97.7	Very high	95.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	171.9	173.5	0	0	0	0	0	111.7	E21 K24 M26 Y27	G17-E21 WeakPolarHBondContact CA-OE1 3.35Å; G17-K24 CarbonylContact C-O 3.57Å; G17-K24 VanDerWaalsContact C-O 3.29Å; G17-K24 VanDerWaalsContact CA-O 3.31Å; G17-K24 WeakPolarHBondContact CA-O 3.33Å; G17-M26 PolarHBondContact N-O 3.44Å; G17-Y27 VanDerWaalsContact O-CE1 3.29Å; G17-Y27 WeakPolarHBondContact O-CE1 3.48Å
18	G	96.1	Very high	96	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	71.7	27.8	-179.9	0	0	0	0	0	114	E21 A23 K24 Y27 Q392	G18-E21 PolarHBondContact N-OE1 3.37Å; G18-A23 VanDerWaalsContact CA-O 3.27Å; G18-A23 WeakPolarHBondContact CA-O 3.47Å; G18-A23 PolarHBondContact N-O 3.24Å; G18-K24 PolarHBondContact N-O 2.92Å; G18-Y27 PolarHBondContact O-OH 3.01Å; G18-Q392 WeakPolarHBondContact O-CA 3.3Å; G18-Q392 PolarHBondContact O-N 2.89Å
19	V	96.8	Very high	96.3	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	11%	0.108	C	C	.	.	S	Bend	trans	-131.9	133.8	168.7	-64	0	0	0	0	109.8	P15 E21 Y27 V391 V418 K420	P15-V19 HydrophobicContact CB-CB 4.34Å; P15-V19 HydrophobicContact CB-CG1 3.61Å; P15-V19 HydrophobicContact CB-CG2 3.72Å; P15-V19 HydrophobicContact CG-CG1 4.16Å; P15-V19 HydrophobicContact CG-CG2 3.94Å; V19-E21 PolarHBondContact O-N 3.26Å; V19-Y27 HydrophobicContact CG1-CE1 4.08Å; V19-V391 HydrophobicContact CG1-CB 4.18Å; V19-V391 HydrophobicContact CG1-CG1 3.88Å; V19-V418 HydrophobicContact CG1-CG2 4.21Å; V19-K420 HydrophobicContact CG2-CB 4.43Å; V19-K420 HydrophobicContact CG2-CG 3.71Å
20	G	94.5	Very high	96.6	Very high	41 Å²	41	13.2 Å²	13.2	42%	0.423	8%	0.077	S	C	.	.	S	Bend	trans	65.5	14.1	-170	0	0	0	0	0	113.6	G393	G20-G393 CarbonylContact C-O 3.57Å; G20-G393 PolarHBondContact N-O 2.91Å
21	E	93.1	Very high	96.8	Very high	18 Å²	18	8.7 Å²	8.7	8%	0.084	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-154.9	161.7	-177.1	66.9	-169.3	-179.9	0	0	109.6	G17 G18 V19 K24 G393 K420	G17-E21 WeakPolarHBondContact CA-OE1 3.35Å; G18-E21 PolarHBondContact N-OE1 3.37Å; V19-E21 PolarHBondContact O-N 3.26Å; E21-K24 WeakPolarHBondContact OE1-CE 3.47Å; E21-K24 IonicContact OE1-NZ 3.61Å; E21-K24 PolarHBondContact OE1-NZ 2.92Å; E21-K24 IonicContact OE2-NZ 3.7Å; E21-K24 PolarHBondContact OE2-NZ 3.34Å; E21-G393 PolarHBondContact N-O 3.34Å; E21-G393 VanDerWaalsContact N-O 3.16Å; E21-G393 CarbonylContact O-C 3.55Å; E21-G393 VanDerWaalsContact O-C 3.27Å; E21-G393 WeakPolarHBondContact O-CA 3.43Å; E21-G393 PolarHBondContact O-N 3.28Å; E21-K420 IonicContact OE1-NZ 3.5Å; E21-K420 IonicContact OE2-NZ 3.55Å; E21-K420 PolarHBondContact OE2-NZ 3.35Å
22	I	90	Very high	96.7	Very high	63 Å²	63	10 Å²	10	32%	0.323	6%	0.059	S	C	.	.	S	Bend	trans	-100.3	138.9	169.1	-62.2	174.5	0	0	0	107.7	E394 M397	I22-E394 HydrophobicContact CG1-CG 4.42Å; I22-M397 HydrophobicContact CD1-CE 3.96Å; I22-M397 HydrophobicContact CD1-SD 4.13Å; I22-M397 HydrophobicContact CG1-SD 4.39Å
23	A	91.8	Very high	96.6	Very high	3 Å²	3	11.4 Å²	11.4	3%	0.025	7%	0.07	C	C	.	.	S	Bend	trans	78.3	-173.1	-176.9	0	0	0	0	0	114.4	G18 N25 M43 H80	G18-A23 VanDerWaalsContact CA-O 3.27Å; G18-A23 WeakPolarHBondContact CA-O 3.47Å; G18-A23 PolarHBondContact N-O 3.24Å; A23-N25 PolarHBondContact O-N 3.19Å; A23-M43 HydrophobicContact CB-CB 4.08Å; A23-M43 HydrophobicContact CB-CG 4.27Å; A23-H80 HydrophobicContact CB-CB 3.78Å; A23-H80 WeakPolarHBondContact CB-CD2 3.49Å
24	K	94.5	Very high	96.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.07	C	C	.	.			trans	60.5	32	-179.7	-135.6	179.4	62.1	-134.3	0	114	G17 G18 E21 M26 L42 M43 V55 P57 N441	G17-K24 CarbonylContact C-O 3.57Å; G17-K24 VanDerWaalsContact C-O 3.29Å; G17-K24 VanDerWaalsContact CA-O 3.31Å; G17-K24 WeakPolarHBondContact CA-O 3.33Å; G18-K24 PolarHBondContact N-O 2.92Å; E21-K24 WeakPolarHBondContact OE1-CE 3.47Å; E21-K24 IonicContact OE1-NZ 3.61Å; E21-K24 PolarHBondContact OE1-NZ 2.92Å; E21-K24 IonicContact OE2-NZ 3.7Å; E21-K24 PolarHBondContact OE2-NZ 3.34Å; K24-M26 PolarHBondContact O-N 2.98Å; K24-L42 PolarHBondContact N-O 2.98Å; K24-L42 VanDerWaalsContact N-O 3.07Å; K24-M43 HydrophobicContact CB-CB 3.97Å; K24-M43 HydrophobicContact CD-CB 4.2Å; K24-M43 HydrophobicContact CG-CB 4.17Å; K24-V55 HydrophobicContact CD-CB 4.46Å; K24-V55 HydrophobicContact CD-CG1 3.94Å; K24-P57 HydrophobicContact CD-CG 4.18Å; K24-P57 HydrophobicContact CG-CG 3.72Å; K24-N441 PolarHBondContact NZ-OD1 2.8Å
25	N	97.8	Very high	96.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.07	C	C	.	.			trans	-57.8	121.4	-175.8	-63.9	-36.4	0	0	0	110.8	A23 Y27 D39 A40 G41 H80 E166 Q392	A23-N25 PolarHBondContact O-N 3.19Å; N25-Y27 HydrophobicContact CB-CE2 3.96Å; N25-Y27 PolarHBondContact OD1-OH 3.21Å; N25-Y27 VanDerWaalsContact OD1-OH 3.14Å; N25-D39 HydrophobicContact CB-CB 4.06Å; N25-D39 CarbonylContact O-C 3.5Å; N25-A40 WeakPolarHBondContact O-CA 3.28Å; N25-A40 PolarHBondContact O-N 3.09Å; N25-G41 PolarHBondContact O-N 2.79Å; N25-H80 WeakPolarHBondContact CB-O 3.3Å; N25-H80 PolarHBondContact N-O 2.83Å; N25-H80 VanDerWaalsContact N-O 3.12Å; N25-H80 PolarHBondContact ND2-O 3.12Å; N25-E166 PolarHBondContact ND2-OE1 3.34Å; N25-E166 VanDerWaalsContact ND2-OE1 3.1Å; N25-Q392 PolarHBondContact ND2-NE2 3.41Å; N25-Q392 PolarHBondContact OD1-NE2 2.88Å; N25-Q392 PolarHBondContact OD1-OE1 3.19Å
26	M	98.6	Very high	96.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	112.2	172.9	-173.5	-178.5	-70.5	0	0	109.4	L16 G17 K24 M37 A40 P57 I59 A84 V88	L16-M26 HydrophobicContact CB-CB 4.4Å; L16-M26 HydrophobicContact CB-CG 4.24Å; L16-M26 HydrophobicContact CB-SD 4.12Å; L16-M26 HydrophobicContact CD1-SD 3.97Å; L16-M26 PolarHBondContact N-O 3.46Å; G17-M26 PolarHBondContact N-O 3.44Å; K24-M26 PolarHBondContact O-N 2.98Å; M26-M37 HydrophobicContact CE-SD 4.38Å; M26-M37 HydrophobicContact CG-CG 4.22Å; M26-M37 HydrophobicContact CG-SD 4.4Å; M26-M37 HydrophobicContact SD-CE 4.09Å; M26-M37 HydrophobicContact SD-SD 4.43Å; M26-A40 HydrophobicContact CE-CB 3.69Å; M26-P57 HydrophobicContact CB-CB 4.4Å; M26-P57 HydrophobicContact CB-CG 3.84Å; M26-P57 HydrophobicContact CE-CB 4.1Å; M26-P57 HydrophobicContact CE-CG 3.77Å; M26-P57 HydrophobicContact SD-CB 3.82Å; M26-P57 HydrophobicContact SD-CG 3.97Å; M26-I59 HydrophobicContact CE-CG2 3.89Å; M26-I59 HydrophobicContact SD-CG2 3.61Å; M26-A84 HydrophobicContact CE-CB 4.47Å; M26-V88 HydrophobicContact CE-CG2 3.9Å
27	Y	98.7	Very high	96.7	Very high	3 Å²	3	11.3 Å²	11.3	1%	0.012	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131	-178.4	-44	-79	0	0	0	110.1	P15 G17 G18 V19 N25 L38 Y163 V391	P15-Y27 HydrophobicContact CB-CD1 3.91Å; P15-Y27 HydrophobicContact CB-CE1 4.27Å; G17-Y27 VanDerWaalsContact O-CE1 3.29Å; G17-Y27 WeakPolarHBondContact O-CE1 3.48Å; G18-Y27 PolarHBondContact O-OH 3.01Å; V19-Y27 HydrophobicContact CG1-CE1 4.08Å; N25-Y27 HydrophobicContact CB-CE2 3.96Å; N25-Y27 PolarHBondContact OD1-OH 3.21Å; N25-Y27 VanDerWaalsContact OD1-OH 3.14Å; Y27-L38 HydrophobicContact CD2-CB 4.44Å; Y27-L38 PolarHBondContact N-O 3.22Å; Y27-L38 PolarHBondContact O-N 2.7Å; Y27-Y163 HydrophobicContact CD2-CE1 4.23Å; Y27-Y163 HydrophobicContact CD2-CE2 4.05Å; Y27-Y163 AromaticContact CD2-CZ 3.87Å; Y27-Y163 HydrophobicContact CE2-CE1 4.37Å; Y27-Y163 AromaticContact CE2-CE2 3.77Å; Y27-Y163 HydrophobicContact CE2-CE2 3.77Å; Y27-Y163 AromaticContact CE2-CZ 3.6Å; Y27-Y163 WeakPolarHBondContact CE2-OH 3.44Å; Y27-V391 HydrophobicContact CD1-CG1 4.26Å; Y27-V391 HydrophobicContact CE1-CB 3.68Å; Y27-V391 HydrophobicContact CE1-CG1 3.69Å; Y27-V391 HydrophobicContact CE1-CG2 4.13Å; Y27-V391 HydrophobicContact CE2-CG2 4.29Å; Y27-V391 WeakPolarHBondContact OH-CB 3.23Å
28	I	98.7	Very high	96.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.9	175.6	-53.2	-56.7	0	0	0	109.1	I13 I14 L16 E30 M35 M37 Y61 V62	I13-I28 CarbonylContact C-O 3.55Å; I13-I28 WeakPolarHBondContact CA-O 3.33Å; I14-I28 HydrophobicContact CB-CB 4.17Å; I14-I28 PolarHBondContact N-O 3.24Å; I14-I28 PolarHBondContact O-N 3.48Å; L16-I28 HydrophobicContact CD1-CD1 4.09Å; L16-I28 HydrophobicContact CD1-CG1 3.67Å; L16-I28 HydrophobicContact CG-CG1 4.03Å; I28-E30 HydrophobicContact CG2-CG 4.15Å; I28-M35 HydrophobicContact CG2-CE 4.27Å; I28-M35 HydrophobicContact CG2-CG 3.45Å; I28-M35 VanDerWaalsContact CG2-CG 3.45Å; I28-M35 HydrophobicContact CG2-SD 3.9Å; I28-M37 HydrophobicContact CD1-CB 3.91Å; I28-M37 HydrophobicContact CD1-CE 3.94Å; I28-M37 HydrophobicContact CD1-CG 3.95Å; I28-Y61 HydrophobicContact CG2-CE1 4.43Å; I28-V62 HydrophobicContact CD1-CG2 3.79Å; I28-V62 HydrophobicContact CG1-CG2 4.18Å
29	V	98.7	Very high	96.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	114.1	169.1	-176.9	0	0	0	0	108.3	R12 I13 V31 F36 L38 I154 I161 I196	R12-V29 CarbonylContact O-C 3.54Å; R12-V29 WeakPolarHBondContact O-CA 3.44Å; I13-V29 HydrophobicContact CG1-CG2 4.44Å; V29-V31 HydrophobicContact CG1-CG2 4.17Å; V29-F36 PolarHBondContact N-O 2.94Å; V29-F36 WeakPolarHBondContact O-CD2 3.44Å; V29-F36 PolarHBondContact O-N 3.25Å; V29-L38 HydrophobicContact CG2-CD1 3.86Å; V29-L38 HydrophobicContact CG2-CG 4.43Å; V29-I154 HydrophobicContact CB-CD1 3.74Å; V29-I154 HydrophobicContact CG1-CD1 3.77Å; V29-I154 HydrophobicContact CG2-CD1 4.11Å; V29-I161 HydrophobicContact CG1-CD1 3.74Å; V29-I161 HydrophobicContact CG1-CG2 4.43Å; V29-I161 HydrophobicContact CG2-CG2 4.41Å; V29-I196 HydrophobicContact CG2-CD1 4.45Å
30	E	98.3	Very high	96.9	Very high	5 Å²	5	11.3 Å²	11.3	2%	0.023	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133	170.5	-55.1	-162.8	126.8	0	0	109.7	I11 R12 I28 E34 M35 Y61 K68	I11-E30 WeakPolarHBondContact CA-O 3.5Å; R12-E30 HydrophobicContact CB-CB 4.08Å; R12-E30 VanDerWaalsContact CD-OE2 3.31Å; R12-E30 WeakPolarHBondContact CD-OE2 3.5Å; R12-E30 HydrophobicContact CG-CB 4.39Å; R12-E30 IonicContact CZ-OE2 2.76Å; R12-E30 PolarHBondContact N-O 3.46Å; R12-E30 IonicContact NE-OE2 3.76Å; R12-E30 IonicContact NH1-OE2 3.83Å; R12-E30 PolarHBondContact NH1-OE2 3.33Å; R12-E30 PolarHBondContact O-N 2.98Å; I28-E30 HydrophobicContact CG2-CG 4.15Å; E30-E34 CarbonylContact C-O 3.56Å; E30-E34 WeakPolarHBondContact CA-O 3.26Å; E30-M35 HydrophobicContact CG-CB 4.19Å; E30-M35 HydrophobicContact CG-CE 4.35Å; E30-M35 HydrophobicContact CG-CG 4.15Å; E30-M35 WeakPolarHBondContact OE1-CE 3.45Å; E30-Y61 PolarHBondContact OE1-OH 2.99Å; E30-Y61 PolarHBondContact OE2-OH 2.79Å; E30-Y61 VanDerWaalsContact OE2-OH 3.07Å; E30-K68 WeakPolarHBondContact OE1-CD 3.48Å; E30-K68 IonicContact OE1-NZ 3.06Å; E30-K68 IonicContact OE2-NZ 3.91Å
31	V	97.8	Very high	97	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	110.6	170.6	-173	0	0	0	0	109.3	N8 D10 I11 V29 D33 E34 N134 V135 I154 T156	N8-V31 HydrophobicContact CB-CG1 3.98Å; N8-V31 WeakPolarHBondContact ND2-CG1 3.47Å; D10-V31 WeakPolarHBondContact O-CA 3.42Å; I11-V31 HydrophobicContact CG1-CG1 4.36Å; V29-V31 HydrophobicContact CG1-CG2 4.17Å; V31-D33 PolarHBondContact O-N 3.49Å; V31-E34 PolarHBondContact N-O 3.14Å; V31-E34 PolarHBondContact O-N 2.9Å; V31-E34 VanDerWaalsContact O-N 3.12Å; V31-N134 PolarHBondContact O-ND2 2.82Å; V31-V135 HydrophobicContact CB-CG1 4.01Å; V31-V135 HydrophobicContact CG1-CG1 3.63Å; V31-V135 HydrophobicContact CG2-CG1 4.25Å; V31-I154 HydrophobicContact CG2-CG2 4.26Å; V31-T156 HydrophobicContact CG2-CG2 4.3Å
32	D	96	Very high	97.1	Very high	29 Å²	29	8.8 Å²	8.8	16%	0.155	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	-114.4	-168.5	-48.2	-53.1	0	0	0	111.7	K6 N8 K9 D10	K6-D32 WeakPolarHBondContact CE-OD2 3.1Å; K6-D32 IonicContact NZ-OD2 3.76Å; K6-D32 PolarHBondContact NZ-OD2 3.41Å; N8-D32 PolarHBondContact ND2-OD2 3.07Å; N8-D32 VanDerWaalsContact ND2-OD2 3.07Å; K9-D32 PolarHBondContact N-OD1 3.32Å; D10-D32 PolarHBondContact N-OD1 2.92Å; D10-D32 PolarHBondContact O-N 3.26Å
33	D	96.5	Very high	97.1	Very high	68 Å²	68	6.4 Å²	6.4	36%	0.364	3%	0.034	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	14.5	179.8	65.1	-44.7	0	0	0	114.4	V31 K133 N134	V31-D33 PolarHBondContact O-N 3.49Å; D33-K133 IonicContact OD1-NZ 3.97Å; D33-K133 PolarHBondContact OD1-NZ 3.02Å; D33-K133 IonicContact OD2-NZ 2.99Å; D33-K133 PolarHBondContact OD2-NZ 2.85Å; D33-N134 PolarHBondContact OD1-ND2 3.48Å
34	E	98.1	Very high	96.7	Very high	7 Å²	7	8.6 Å²	8.6	3%	0.033	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.8	179	-65	-173	130.1	0	0	111.5	E30 V31 F36 K70 F132 K133 N134	E30-E34 CarbonylContact C-O 3.56Å; E30-E34 WeakPolarHBondContact CA-O 3.26Å; V31-E34 PolarHBondContact N-O 3.14Å; V31-E34 PolarHBondContact O-N 2.9Å; V31-E34 VanDerWaalsContact O-N 3.12Å; E34-F36 HydrophobicContact CB-CE2 3.9Å; E34-F36 HydrophobicContact CB-CZ 3.68Å; E34-K70 HydrophobicContact CB-CG 3.86Å; E34-K70 HydrophobicContact CG-CD 4.38Å; E34-K70 HydrophobicContact CG-CG 3.85Å; E34-F132 WeakPolarHBondContact OE2-CB 3.49Å; E34-K133 WeakPolarHBondContact OE1-CB 3.38Å; E34-K133 PolarHBondContact OE1-N 2.87Å; E34-K133 PolarHBondContact OE2-N 3.07Å; E34-N134 WeakPolarHBondContact CG-ND2 3.25Å; E34-N134 VanDerWaalsContact OE2-CB 3.28Å; E34-N134 WeakPolarHBondContact OE2-CB 3.34Å; E34-N134 PolarHBondContact OE2-N 2.99Å
35	M	98.6	Very high	96.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.8	177.2	177.9	-163.7	-69.7	0	0	109.9	I28 E30 Y61 V62 N65 K68 L69 K70	I28-M35 HydrophobicContact CG2-CE 4.27Å; I28-M35 HydrophobicContact CG2-CG 3.45Å; I28-M35 VanDerWaalsContact CG2-CG 3.45Å; I28-M35 HydrophobicContact CG2-SD 3.9Å; E30-M35 HydrophobicContact CG-CB 4.19Å; E30-M35 HydrophobicContact CG-CE 4.35Å; E30-M35 HydrophobicContact CG-CG 4.15Å; E30-M35 WeakPolarHBondContact OE1-CE 3.45Å; M35-Y61 HydrophobicContact CE-CD1 4.38Å; M35-Y61 HydrophobicContact CE-CE1 3.73Å; M35-V62 HydrophobicContact SD-CG1 4.07Å; M35-V62 HydrophobicContact SD-CG2 4.44Å; M35-N65 HydrophobicContact CE-CB 3.57Å; M35-K68 HydrophobicContact CB-CB 3.79Å; M35-K68 PolarHBondContact N-O 3.46Å; M35-L69 HydrophobicContact CG-CD1 4.24Å; M35-L69 WeakPolarHBondContact O-CA 3.43Å; M35-L69 HydrophobicContact SD-CB 4.3Å; M35-L69 HydrophobicContact SD-CD1 4.11Å; M35-K70 PolarHBondContact O-N 2.97Å
36	F	98.8	Very high	95.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.5	176.6	-49.8	-76.9	0	0	0	109	V29 E34 K70 F73 F132 V135 I137 I154	V29-F36 PolarHBondContact N-O 2.94Å; V29-F36 WeakPolarHBondContact O-CD2 3.44Å; V29-F36 PolarHBondContact O-N 3.25Å; E34-F36 HydrophobicContact CB-CE2 3.9Å; E34-F36 HydrophobicContact CB-CZ 3.68Å; F36-K70 HydrophobicContact CD1-CB 4.16Å; F36-K70 HydrophobicContact CE1-CB 3.78Å; F36-K70 HydrophobicContact CE1-CG 4.23Å; F36-F73 HydrophobicContact CB-CD2 4.31Å; F36-F73 HydrophobicContact CB-CE2 4.21Å; F36-F73 AromaticContact CD1-CE2 3.71Å; F36-F73 HydrophobicContact CD1-CE2 3.71Å; F36-F73 HydrophobicContact CD1-CZ 4.21Å; F36-F73 HydrophobicContact CG-CE2 4.4Å; F36-F132 HydrophobicContact CE1-CB 4.27Å; F36-F132 AromaticContact CE1-CD1 3.97Å; F36-F132 HydrophobicContact CE1-CD1 3.97Å; F36-F132 AromaticContact CE1-CD2 3.75Å; F36-F132 HydrophobicContact CE1-CD2 3.75Å; F36-F132 HydrophobicContact CE1-CE1 4.29Å; F36-F132 HydrophobicContact CE1-CE2 4.09Å; F36-F132 AromaticContact CE1-CG 3.7Å; F36-F132 HydrophobicContact CE1-CG 3.7Å; F36-F132 HydrophobicContact CE1-CZ 4.36Å; F36-F132 HydrophobicContact CZ-CB 4.17Å; F36-F132 HydrophobicContact CZ-CD2 4.27Å; F36-F132 HydrophobicContact CZ-CG 4.1Å; F36-V135 HydrophobicContact CE1-CG2 4.36Å; F36-V135 HydrophobicContact CE2-CG2 3.5Å; F36-V135 VanDerWaalsContact CE2-CG2 3.5Å; F36-V135 HydrophobicContact CZ-CG2 3.33Å; F36-I137 HydrophobicContact CD1-CD1 3.5Å; F36-I137 HydrophobicContact CD2-CD1 4.42Å; F36-I137 HydrophobicContact CE1-CD1 3.71Å; F36-I137 HydrophobicContact CG-CD1 3.88Å; F36-I137 HydrophobicContact CZ-CD1 4.28Å; F36-I154 HydrophobicContact CB-CD1 4.15Å; F36-I154 HydrophobicContact CD2-CD1 4.14Å; F36-I154 HydrophobicContact CD2-CG2 4.48Å; F36-I154 HydrophobicContact CE2-CG2 4.48Å; F36-I154 HydrophobicContact CG-CD1 4.35Å
37	M	98.8	Very high	94.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.5	173.6	178.4	-177.3	-73.6	0	0	108.5	M26 I28 D39 A40 V62 L69 G71 I72 F73 V88	M26-M37 HydrophobicContact CE-SD 4.38Å; M26-M37 HydrophobicContact CG-CG 4.22Å; M26-M37 HydrophobicContact CG-SD 4.4Å; M26-M37 HydrophobicContact SD-CE 4.09Å; M26-M37 HydrophobicContact SD-SD 4.43Å; I28-M37 HydrophobicContact CD1-CB 3.91Å; I28-M37 HydrophobicContact CD1-CE 3.94Å; I28-M37 HydrophobicContact CD1-CG 3.95Å; M37-D39 WeakPolarHBondContact CG-O 3.46Å; M37-A40 HydrophobicContact SD-CB 4.07Å; M37-V62 HydrophobicContact CE-CB 4.48Å; M37-V62 HydrophobicContact CE-CG1 4.01Å; M37-V62 HydrophobicContact CE-CG2 3.95Å; M37-L69 HydrophobicContact CB-CD1 4.11Å; M37-G71 PolarHBondContact N-O 3.08Å; M37-G71 VanDerWaalsContact N-O 3.1Å; M37-I72 HydrophobicContact CB-CG1 4.32Å; M37-I72 HydrophobicContact CB-CG2 4.45Å; M37-I72 HydrophobicContact CG-CG2 4.19Å; M37-I72 CarbonylContact O-C 3.42Å; M37-I72 WeakPolarHBondContact O-CA 3.11Å; M37-I72 HydrophobicContact SD-CD1 4.06Å; M37-I72 HydrophobicContact SD-CG1 3.89Å; M37-I72 HydrophobicContact SD-CG2 4.01Å; M37-F73 PolarHBondContact O-N 2.87Å; M37-V88 HydrophobicContact CE-CG1 4.29Å; M37-V88 HydrophobicContact SD-CG1 4.38Å
38	L	98.8	Very high	93.4	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	114.9	175.6	-54.3	179.9	0	0	0	108.4	Y27 V29 F73 V152 I154 Y163 I196	Y27-L38 HydrophobicContact CD2-CB 4.44Å; Y27-L38 PolarHBondContact N-O 3.22Å; Y27-L38 PolarHBondContact O-N 2.7Å; V29-L38 HydrophobicContact CG2-CD1 3.86Å; V29-L38 HydrophobicContact CG2-CG 4.43Å; L38-F73 HydrophobicContact CD2-CB 4.07Å; L38-V152 HydrophobicContact CD2-CB 4.3Å; L38-V152 HydrophobicContact CD2-CG1 3.93Å; L38-I154 HydrophobicContact CD2-CD1 4.41Å; L38-Y163 HydrophobicContact CB-CD1 3.76Å; L38-Y163 HydrophobicContact CB-CE1 4.09Å; L38-Y163 HydrophobicContact CD1-CD1 3.9Å; L38-Y163 HydrophobicContact CD1-CG 3.9Å; L38-Y163 HydrophobicContact CG-CD1 4.31Å; L38-I196 HydrophobicContact CD1-CD1 4.46Å
39	D	98.7	Very high	92.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.			trans	55.8	160.7	-170.5	-68.2	-18.9	0	0	0	114.4	N25 M37 F73 L74 T75 A81 Y163	N25-D39 HydrophobicContact CB-CB 4.06Å; N25-D39 CarbonylContact O-C 3.5Å; M37-D39 WeakPolarHBondContact CG-O 3.46Å; D39-F73 PolarHBondContact N-O 3.44Å; D39-L74 VanDerWaalsContact OD1-CA 3.25Å; D39-L74 WeakPolarHBondContact OD1-CA 3.46Å; D39-T75 PolarHBondContact OD1-N 2.99Å; D39-T75 PolarHBondContact OD1-OG1 3.48Å; D39-T75 PolarHBondContact OD2-OG1 2.91Å; D39-A81 HydrophobicContact CB-CB 4.26Å; D39-A81 WeakPolarHBondContact CB-O 3.42Å; D39-Y163 WeakPolarHBondContact OD2-CE1 3.39Å; D39-Y163 PolarHBondContact OD2-OH 2.7Å; D39-Y163 VanDerWaalsContact OD2-OH 3.12Å
40	A	98.3	Very high	92	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.			trans	-149.8	78.4	171.2	0	0	0	0	0	107.8	N25 M26 M37 I72 A81 I82 G83 A84 V85 V88	N25-A40 WeakPolarHBondContact O-CA 3.28Å; N25-A40 PolarHBondContact O-N 3.09Å; M26-A40 HydrophobicContact CE-CB 3.69Å; M37-A40 HydrophobicContact SD-CB 4.07Å; A40-I72 HydrophobicContact CB-CG2 4.49Å; A40-A81 CarbonylContact C-O 3.59Å; A40-A81 PolarHBondContact N-O 3.06Å; A40-I82 CarbonylContact O-C 3.57Å; A40-I82 WeakPolarHBondContact O-CA 3.19Å; A40-G83 PolarHBondContact O-N 2.83Å; A40-A84 HydrophobicContact CB-CB 4.42Å; A40-A84 CarbonylContact O-C 3.53Å; A40-A84 VanDerWaalsContact O-CA 3.32Å; A40-A84 WeakPolarHBondContact O-CA 3.21Å; A40-A84 WeakPolarHBondContact O-CB 3.32Å; A40-A84 PolarHBondContact O-N 3Å; A40-V85 HydrophobicContact CB-CG2 3.77Å; A40-V85 PolarHBondContact O-N 2.88Å; A40-V88 HydrophobicContact CB-CG2 4.3Å
41	G	97.1	Very high	91.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.			trans	-87.1	162.3	-175.8	0	0	0	0	0	115.2	N25 P57 E79 H80 A81 A84	N25-G41 PolarHBondContact O-N 2.79Å; G41-P57 WeakPolarHBondContact O-CD 3.25Å; G41-E79 WeakPolarHBondContact CA-O 3.47Å; G41-H80 VanDerWaalsContact CA-C 3.43Å; G41-H80 WeakPolarHBondContact CA-O 3.24Å; G41-A81 PolarHBondContact N-O 3.07Å; G41-A84 WeakPolarHBondContact O-CB 3.34Å
42	L	93.6	Very high	91	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	19%	0.194	C	C	.	.			trans	-110.3	169.1	165.3	68.8	75.7	0	0	0	111.5	K24 F44 I54 V55 I56 E79 H80	K24-L42 PolarHBondContact N-O 2.98Å; K24-L42 VanDerWaalsContact N-O 3.07Å; L42-F44 HydrophobicContact CD1-CD1 4.35Å; L42-F44 HydrophobicContact CD1-CE1 4.1Å; L42-F44 HydrophobicContact CD1-CE2 4.34Å; L42-F44 HydrophobicContact CD1-CZ 4.11Å; L42-I54 HydrophobicContact CB-CG2 3.59Å; L42-I54 HydrophobicContact CD1-CG2 4.16Å; L42-I54 HydrophobicContact CD2-CD1 4.12Å; L42-I54 HydrophobicContact CD2-CG1 4.46Å; L42-I54 HydrophobicContact CD2-CG2 3.71Å; L42-I54 HydrophobicContact CG-CG2 4.01Å; L42-V55 CarbonylContact C-O 3.57Å; L42-V55 WeakPolarHBondContact CA-O 3.4Å; L42-I56 HydrophobicContact CB-CG2 3.94Å; L42-E79 HydrophobicContact CD1-CB 4.16Å; L42-E79 HydrophobicContact CG-CB 4.22Å; L42-E79 PolarHBondContact N-O 3.08Å; L42-H80 WeakPolarHBondContact O-CA 3.46Å
43	M	90.7	Very high	90.5	Very high	13 Å²	13	37.8 Å²	37.8	6%	0.064	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-127.4	141.1	170.1	177.9	-175.6	94.4	0	0	108.8	A23 K24 M49 V55	A23-M43 HydrophobicContact CB-CB 4.08Å; A23-M43 HydrophobicContact CB-CG 4.27Å; K24-M43 HydrophobicContact CB-CB 3.97Å; K24-M43 HydrophobicContact CD-CB 4.2Å; K24-M43 HydrophobicContact CG-CB 4.17Å; M43-M49 HydrophobicContact CE-CE 3.97Å; M43-M49 HydrophobicContact CE-SD 4.45Å; M43-V55 HydrophobicContact CB-CB 4.37Å; M43-V55 HydrophobicContact CE-CB 4.12Å; M43-V55 HydrophobicContact CE-CG1 4.32Å; M43-V55 HydrophobicContact CE-CG2 4.08Å; M43-V55 PolarHBondContact N-O 2.85Å; M43-V55 PolarHBondContact O-N 3.18Å
44	F	83.9	Confident	90.2	Very high	49 Å²	49	35.6 Å²	35.6	22%	0.215	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-76.6	140.9	169.5	-63.4	-67.8	0	0	0	110.1	L42 H80 Q304	L42-F44 HydrophobicContact CD1-CD1 4.35Å; L42-F44 HydrophobicContact CD1-CE1 4.1Å; L42-F44 HydrophobicContact CD1-CE2 4.34Å; L42-F44 HydrophobicContact CD1-CZ 4.11Å; F44-H80 AromaticContact CD2-NE2 4Å; F44-Q304 HydrophobicContact CE1-CB 4.1Å; F44-Q304 HydrophobicContact CE1-CG 4.37Å; F44-Q304 HydrophobicContact CZ-CB 4.36Å
45	P	82.9	Confident	90	Very high	43 Å²	43	35.3 Å²	35.3	28%	0.279	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-61.5	144.5	-175	25	-34.9	0	0	0	112.1	M49 I52 D53	P45-M49 HydrophobicContact CB-CB 3.8Å; P45-M49 HydrophobicContact CB-SD 4.36Å; P45-I52 HydrophobicContact CB-CB 4.05Å; P45-I52 HydrophobicContact CB-CG2 4.08Å; P45-I52 VanDerWaalsContact CG-O 3.3Å; P45-I52 WeakPolarHBondContact CG-O 3.28Å; P45-D53 WeakPolarHBondContact CD-O 3.38Å
46	E	79.8	Confident	89.9	Confident	112 Å²	112	35.6 Å²	35.6	52%	0.523	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-77.7	164.8	168.9	-63.9	175.5	-173.2	0	0	110.6	E48 M49	E46-E48 PolarHBondContact O-N 3.46Å; E46-M49 WeakPolarHBondContact O-CB 3.41Å; E46-M49 PolarHBondContact O-N 2.78Å
47	D	76.2	Confident	89.8	Confident	144 Å²	144	35.7 Å²	35.7	77%	0.77	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.5	-176.9	-70.5	-22.2	0	0	0	113.5	M49	D47-M49 VanDerWaalsContact C-N 3.34Å
48	E	80.5	Confident	89.6	Confident	133 Å²	133	36.6 Å²	36.6	62%	0.621	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-20.3	177.9	-60.2	-173.7	176.7	0	0	112.9	E46 L50 H461	E46-E48 PolarHBondContact O-N 3.46Å; E48-L50 PolarHBondContact O-N 3.2Å; E48-H461 PolarHBondContact O-CE1 3.05Å; E48-H461 PolarHBondContact O-NE2 3.29Å
49	M	85.1	Confident	89.6	Confident	31 Å²	31	37 Å²	37	15%	0.153	20%	0.2	C	C	.	.	S	Bend	trans	-85.2	63.4	-176.8	-59.8	-172.7	-165.9	0	0	111.4	M43 P45 E46 D47 G51 I52 V55 L443	M43-M49 HydrophobicContact CE-CE 3.97Å; M43-M49 HydrophobicContact CE-SD 4.45Å; P45-M49 HydrophobicContact CB-CB 3.8Å; P45-M49 HydrophobicContact CB-SD 4.36Å; E46-M49 WeakPolarHBondContact O-CB 3.41Å; E46-M49 PolarHBondContact O-N 2.78Å; D47-M49 VanDerWaalsContact C-N 3.34Å; M49-G51 PolarHBondContact O-N 2.85Å; M49-I52 HydrophobicContact CB-CB 4.07Å; M49-I52 HydrophobicContact CB-CG1 3.96Å; M49-I52 WeakPolarHBondContact O-CB 3.34Å; M49-I52 PolarHBondContact O-N 2.67Å; M49-V55 HydrophobicContact SD-CG2 3.62Å; M49-L443 HydrophobicContact SD-CD2 4.4Å
50	L	84.5	Confident	89.5	Confident	57 Å²	57	38.6 Å²	38.6	30%	0.298	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	119.8	-173.4	-63.8	177.6	0	0	0	112.4	E48 I52 R460 A464	E48-L50 PolarHBondContact O-N 3.2Å; L50-I52 VanDerWaalsContact C-N 3.26Å; L50-I52 PolarHBondContact O-N 2.71Å; L50-R460 HydrophobicContact CB-CB 4.04Å; L50-R460 HydrophobicContact CD1-CB 4.09Å; L50-R460 WeakPolarHBondContact O-CD 3.44Å; L50-R460 PolarHBondContact O-NH1 3.37Å; L50-A464 HydrophobicContact CD1-CB 3.85Å
51	G	85.8	Confident	89.5	Confident	49 Å²	49	39.1 Å²	39.1	51%	0.505	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	9.4	176.2	0	0	0	0	0	115.1	M49 R460	M49-G51 PolarHBondContact O-N 2.85Å; G51-R460 PolarHBondContact O-NH1 3.48Å
52	I	89	Confident	89.5	Confident	11 Å²	11	39.1 Å²	39.1	6%	0.056	21%	0.213	C	C	.	.			trans	-79.2	145.1	168.5	-59.6	-50.8	0	0	0	108.4	P45 M49 L50 I54 V55 L443 D445 V452 L457	P45-I52 HydrophobicContact CB-CB 4.05Å; P45-I52 HydrophobicContact CB-CG2 4.08Å; P45-I52 VanDerWaalsContact CG-O 3.3Å; P45-I52 WeakPolarHBondContact CG-O 3.28Å; M49-I52 HydrophobicContact CB-CB 4.07Å; M49-I52 HydrophobicContact CB-CG1 3.96Å; M49-I52 WeakPolarHBondContact O-CB 3.34Å; M49-I52 PolarHBondContact O-N 2.67Å; L50-I52 VanDerWaalsContact C-N 3.26Å; L50-I52 PolarHBondContact O-N 2.71Å; I52-I54 WeakPolarHBondContact CG2-O 3.28Å; I52-V55 HydrophobicContact CG2-CG2 4.06Å; I52-L443 HydrophobicContact CD1-CB 3.79Å; I52-L443 HydrophobicContact CD1-CD1 4.07Å; I52-L443 HydrophobicContact CD1-CG 4.45Å; I52-L443 HydrophobicContact CG1-CB 4.37Å; I52-L443 HydrophobicContact CG1-CD1 4.3Å; I52-L443 HydrophobicContact CG2-CB 4.41Å; I52-L443 HydrophobicContact CG2-CD2 4.48Å; I52-D445 HydrophobicContact CD1-CB 4.46Å; I52-V452 HydrophobicContact CD1-CB 3.94Å; I52-V452 HydrophobicContact CD1-CG1 3.66Å; I52-V452 HydrophobicContact CD1-CG2 4.23Å; I52-L457 HydrophobicContact CD1-CD2 4.13Å; I52-L457 HydrophobicContact CG1-CD2 3.89Å
53	D	85.3	Confident	89.7	Confident	69 Å²	69	41.4 Å²	41.4	37%	0.369	23%	0.225	S	C	.	.			trans	-97.6	-42.8	173.7	-68.6	-47.4	0	0	0	111.5	P45 I444 G446	P45-D53 WeakPolarHBondContact CD-O 3.38Å; D53-I444 PolarHBondContact N-O 2.93Å; D53-G446 WeakPolarHBondContact OD2-CA 3.33Å; D53-G446 PolarHBondContact OD2-N 3.07Å
54	I	90.4	Very high	90	Very high	23 Å²	23	47.9 Å²	47.9	12%	0.118	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	146	-170.7	-61.2	170.4	0	0	0	109.8	L42 I52 I56 I444	L42-I54 HydrophobicContact CB-CG2 3.59Å; L42-I54 HydrophobicContact CD1-CG2 4.16Å; L42-I54 HydrophobicContact CD2-CD1 4.12Å; L42-I54 HydrophobicContact CD2-CG1 4.46Å; L42-I54 HydrophobicContact CD2-CG2 3.71Å; L42-I54 HydrophobicContact CG-CG2 4.01Å; I52-I54 WeakPolarHBondContact CG2-O 3.28Å; I54-I56 HydrophobicContact CG2-CG2 4.02Å; I54-I444 HydrophobicContact CB-CB 4.26Å; I54-I444 HydrophobicContact CB-CD1 4.19Å; I54-I444 HydrophobicContact CG2-CD1 4.07Å; I54-I444 PolarHBondContact N-O 3.35Å; I54-I444 PolarHBondContact O-N 3.05Å
55	V	93.4	Very high	90.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.5	170.9	-173.1	0	0	0	0	110.2	K24 L42 M43 M49 I52 N441 L443	K24-V55 HydrophobicContact CD-CB 4.46Å; K24-V55 HydrophobicContact CD-CG1 3.94Å; L42-V55 CarbonylContact C-O 3.57Å; L42-V55 WeakPolarHBondContact CA-O 3.4Å; M43-V55 HydrophobicContact CB-CB 4.37Å; M43-V55 HydrophobicContact CE-CB 4.12Å; M43-V55 HydrophobicContact CE-CG1 4.32Å; M43-V55 HydrophobicContact CE-CG2 4.08Å; M43-V55 PolarHBondContact N-O 2.85Å; M43-V55 PolarHBondContact O-N 3.18Å; M49-V55 HydrophobicContact SD-CG2 3.62Å; I52-V55 HydrophobicContact CG2-CG2 4.06Å; V55-N441 HydrophobicContact CG1-CB 3.75Å; V55-L443 HydrophobicContact CG1-CD2 4.11Å; V55-L443 HydrophobicContact CG2-CD2 3.88Å
56	I	95.7	Very high	91.3	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	160.5	176.7	65.6	172.5	0	0	0	111.5	L42 I54 A84 Y87 I442 I444	L42-I56 HydrophobicContact CB-CG2 3.94Å; I54-I56 HydrophobicContact CG2-CG2 4.02Å; I56-A84 HydrophobicContact CB-CB 3.95Å; I56-A84 HydrophobicContact CG2-CB 3.67Å; I56-Y87 HydrophobicContact CD1-CD1 4.24Å; I56-Y87 HydrophobicContact CD1-CG 3.88Å; I56-Y87 HydrophobicContact CG2-CD2 4.34Å; I56-I442 HydrophobicContact CD1-CB 4.49Å; I56-I442 HydrophobicContact CD1-CG2 4.46Å; I56-I442 HydrophobicContact CG1-CB 3.85Å; I56-I442 HydrophobicContact CG1-CG2 4.23Å; I56-I442 PolarHBondContact N-O 3Å; I56-I442 PolarHBondContact O-N 2.81Å; I56-I444 HydrophobicContact CD1-CD1 3.93Å; I56-I444 HydrophobicContact CG1-CD1 4.01Å; I56-I444 HydrophobicContact CG2-CD1 3.83Å
57	P	96.7	Very high	92.1	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.013	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	147.1	177	-20.1	35.5	0	0	0	112.2	L16 K24 M26 G41 I59	L16-P57 HydrophobicContact CB-CB 4.25Å; K24-P57 HydrophobicContact CD-CG 4.18Å; K24-P57 HydrophobicContact CG-CG 3.72Å; M26-P57 HydrophobicContact CB-CB 4.4Å; M26-P57 HydrophobicContact CB-CG 3.84Å; M26-P57 HydrophobicContact CE-CB 4.1Å; M26-P57 HydrophobicContact CE-CG 3.77Å; M26-P57 HydrophobicContact SD-CB 3.82Å; M26-P57 HydrophobicContact SD-CG 3.97Å; G41-P57 WeakPolarHBondContact O-CD 3.25Å; P57-I59 PolarHBondContact O-N 2.97Å
58	D	96.2	Very high	93.2	Very high	20 Å²	20	48.4 Å²	48.4	11%	0.107	25%	0.253	C	S	.	.			trans	-67.9	121	164	-175	-9.6	0	0	0	110.2	S60 N438 G440 I442	D58-S60 WeakPolarHBondContact OD1-CB 3.42Å; D58-S60 PolarHBondContact OD1-N 2.89Å; D58-S60 PolarHBondContact OD1-OG 3.26Å; D58-S60 PolarHBondContact OD2-OG 3.07Å; D58-N438 PolarHBondContact OD2-ND2 2.85Å; D58-G440 PolarHBondContact N-O 2.85Å; D58-I442 HydrophobicContact CB-CD1 4.33Å; D58-I442 HydrophobicContact CB-CG1 4.18Å
59	I	97.2	Very high	94	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.041	23%	0.227	C	C	.	.			trans	-104	14.6	179.9	63.7	164.4	0	0	0	113.4	M26 P57 Y61 V62 L63 V88 Q91 L92	M26-I59 HydrophobicContact CE-CG2 3.89Å; M26-I59 HydrophobicContact SD-CG2 3.61Å; P57-I59 PolarHBondContact O-N 2.97Å; I59-Y61 PolarHBondContact O-N 3.43Å; I59-V62 HydrophobicContact CB-CB 4.37Å; I59-V62 HydrophobicContact CB-CG2 4.5Å; I59-V62 WeakPolarHBondContact O-CA 3.36Å; I59-V62 WeakPolarHBondContact O-CB 3.22Å; I59-V62 PolarHBondContact O-N 2.85Å; I59-L63 HydrophobicContact CD1-CD1 4.36Å; I59-L63 HydrophobicContact CD1-CD2 4.21Å; I59-L63 HydrophobicContact CD1-CG 4.18Å; I59-L63 HydrophobicContact CG1-CD1 4.13Å; I59-L63 HydrophobicContact CG1-CG 4.17Å; I59-L63 PolarHBondContact O-N 2.95Å; I59-V88 HydrophobicContact CD1-CB 4.45Å; I59-V88 HydrophobicContact CD1-CG1 4.24Å; I59-V88 HydrophobicContact CD1-CG2 4.29Å; I59-V88 HydrophobicContact CG2-CG2 4.2Å; I59-Q91 HydrophobicContact CD1-CB 4.36Å; I59-L92 HydrophobicContact CD1-CD2 4.39Å
60	S	96.8	Very high	94.6	Very high	34 Å²	34	44.5 Å²	44.5	24%	0.238	23%	0.233	C	C	.	.	H	α-helix	trans	-49.7	-45.1	-178.4	-65.1	0	0	0	0	112.3	D58 V62 L63 E64 N438	D58-S60 WeakPolarHBondContact OD1-CB 3.42Å; D58-S60 PolarHBondContact OD1-N 2.89Å; D58-S60 PolarHBondContact OD1-OG 3.26Å; D58-S60 PolarHBondContact OD2-OG 3.07Å; S60-V62 VanDerWaalsContact C-N 3.3Å; S60-V62 PolarHBondContact O-N 3.07Å; S60-L63 WeakPolarHBondContact O-CB 3.5Å; S60-L63 PolarHBondContact O-N 2.81Å; S60-L63 VanDerWaalsContact O-N 3.15Å; S60-E64 WeakPolarHBondContact O-CG 3.35Å; S60-E64 PolarHBondContact O-N 3.35Å; S60-N438 PolarHBondContact OG-ND2 2.98Å
61	Y	97.9	Very high	95.3	Very high	11 Å²	11	41.8 Å²	41.8	4%	0.043	22%	0.219	C	C	.	.	H	α-helix	trans	-57.3	-41.4	176.1	173.9	-98.7	0	0	0	113	R12 I14 I28 E30 M35 I59 N65 V437	R12-Y61 PolarHBondContact NH1-OH 3.25Å; I14-Y61 HydrophobicContact CD1-CD1 4.37Å; I14-Y61 HydrophobicContact CD1-CE1 3.57Å; I14-Y61 HydrophobicContact CD1-CE2 4.3Å; I14-Y61 VanDerWaalsContact CD1-CZ 3.5Å; I14-Y61 WeakPolarHBondContact CD1-OH 3.43Å; I28-Y61 HydrophobicContact CG2-CE1 4.43Å; E30-Y61 PolarHBondContact OE1-OH 2.99Å; E30-Y61 PolarHBondContact OE2-OH 2.79Å; E30-Y61 VanDerWaalsContact OE2-OH 3.07Å; M35-Y61 HydrophobicContact CE-CD1 4.38Å; M35-Y61 HydrophobicContact CE-CE1 3.73Å; I59-Y61 PolarHBondContact O-N 3.43Å; Y61-N65 WeakPolarHBondContact O-CB 3.26Å; Y61-N65 PolarHBondContact O-N 2.89Å; Y61-N65 PolarHBondContact O-ND2 2.85Å; Y61-V437 HydrophobicContact CD2-CB 3.71Å; Y61-V437 HydrophobicContact CD2-CG1 3.48Å; Y61-V437 VanDerWaalsContact CD2-CG1 3.48Å; Y61-V437 HydrophobicContact CD2-CG2 4.22Å; Y61-V437 HydrophobicContact CE2-CB 4.26Å; Y61-V437 HydrophobicContact CE2-CG1 3.51Å; Y61-V437 HydrophobicContact CG-CB 4.11Å; Y61-V437 HydrophobicContact CG-CG1 4.23Å; Y61-V437 HydrophobicContact CG-CG2 4.15Å
62	V	98.3	Very high	95.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-69.7	-39.1	178.7	-176.1	0	0	0	0	110.5	L16 I28 M35 M37 I59 S60 N65 K66 L69 L92	L16-V62 HydrophobicContact CD1-CG2 3.76Å; I28-V62 HydrophobicContact CD1-CG2 3.79Å; I28-V62 HydrophobicContact CG1-CG2 4.18Å; M35-V62 HydrophobicContact SD-CG1 4.07Å; M35-V62 HydrophobicContact SD-CG2 4.44Å; M37-V62 HydrophobicContact CE-CB 4.48Å; M37-V62 HydrophobicContact CE-CG1 4.01Å; M37-V62 HydrophobicContact CE-CG2 3.95Å; I59-V62 HydrophobicContact CB-CB 4.37Å; I59-V62 HydrophobicContact CB-CG2 4.5Å; I59-V62 WeakPolarHBondContact O-CA 3.36Å; I59-V62 WeakPolarHBondContact O-CB 3.22Å; I59-V62 PolarHBondContact O-N 2.85Å; S60-V62 VanDerWaalsContact C-N 3.3Å; S60-V62 PolarHBondContact O-N 3.07Å; V62-N65 CarbonylContact O-C 3.58Å; V62-N65 PolarHBondContact O-N 3.42Å; V62-K66 VanDerWaalsContact O-CA 3.27Å; V62-K66 WeakPolarHBondContact O-CA 3.4Å; V62-K66 PolarHBondContact O-N 2.7Å; V62-L69 HydrophobicContact CG1-CD2 3.95Å; V62-L92 HydrophobicContact CG1-CD2 3.77Å
63	L	97.6	Very high	96.4	Very high	54 Å²	54	38.9 Å²	38.9	28%	0.283	19%	0.193	S	C	.	.	H	α-helix	trans	-63.7	-42.3	177	-66.1	172.6	0	0	0	111.9	I59 S60 N65 Q91 L92	I59-L63 HydrophobicContact CD1-CD1 4.36Å; I59-L63 HydrophobicContact CD1-CD2 4.21Å; I59-L63 HydrophobicContact CD1-CG 4.18Å; I59-L63 HydrophobicContact CG1-CD1 4.13Å; I59-L63 HydrophobicContact CG1-CG 4.17Å; I59-L63 PolarHBondContact O-N 2.95Å; S60-L63 WeakPolarHBondContact O-CB 3.5Å; S60-L63 PolarHBondContact O-N 2.81Å; S60-L63 VanDerWaalsContact O-N 3.15Å; L63-N65 PolarHBondContact O-N 3.38Å; L63-Q91 HydrophobicContact CD2-CB 4.03Å; L63-L92 HydrophobicContact CD2-CB 4.1Å; L63-L92 HydrophobicContact CD2-CD2 3.96Å
64	E	97.4	Very high	97	Very high	150 Å²	150	35.6 Å²	35.6	70%	0.701	18%	0.175	S	C	*	.	H	α-helix	trans	-64.6	-28.5	175.6	-71.3	173.2	-174.5	0	0	112.6	S60	S60-E64 WeakPolarHBondContact O-CG 3.35Å; S60-E64 PolarHBondContact O-N 3.35Å
65	N	97.4	Very high	97.4	Very high	35 Å²	35	34.5 Å²	34.5	19%	0.187	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	19.9	-176.2	-70.5	-89.1	0	0	0	113.5	M35 Y61 V62 L63 D67 K68	M35-N65 HydrophobicContact CE-CB 3.57Å; Y61-N65 WeakPolarHBondContact O-CB 3.26Å; Y61-N65 PolarHBondContact O-N 2.89Å; Y61-N65 PolarHBondContact O-ND2 2.85Å; V62-N65 CarbonylContact O-C 3.58Å; V62-N65 PolarHBondContact O-N 3.42Å; L63-N65 PolarHBondContact O-N 3.38Å; N65-D67 PolarHBondContact O-N 2.96Å; N65-K68 HydrophobicContact CB-CD 4.36Å; N65-K68 WeakPolarHBondContact O-CB 3.29Å; N65-K68 PolarHBondContact O-N 3.41Å; N65-K68 PolarHBondContact OD1-NZ 2.84Å
66	K	96.6	Very high	97.6	Very high	125 Å²	125	34.5 Å²	34.5	54%	0.543	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-54.4	-29	-168.3	66.4	-176.4	-180	-177.4	0	115.3	V62 K68 L69	V62-K66 VanDerWaalsContact O-CA 3.27Å; V62-K66 WeakPolarHBondContact O-CA 3.4Å; V62-K66 PolarHBondContact O-N 2.7Å; K66-K68 PolarHBondContact O-N 3.31Å; K66-L69 WeakPolarHBondContact O-CB 3.35Å; K66-L69 PolarHBondContact O-N 2.95Å; K66-L69 VanDerWaalsContact O-N 3.13Å
67	D	96.9	Very high	97.6	Very high	138 Å²	138	34.6 Å²	34.6	74%	0.738	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-67.4	-23.2	-179.7	-61	-38.9	0	0	0	112.8	N65 K70	N65-D67 PolarHBondContact O-N 2.96Å; D67-K70 PolarHBondContact O-NZ 3.09Å; D67-K70 VanDerWaalsContact O-NZ 3.08Å
68	K	97.7	Very high	97.5	Very high	61 Å²	61	35.2 Å²	35.2	27%	0.265	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-78.5	-28.1	174.6	-61.6	179.2	-176.3	163	0	112.2	E30 M35 N65 K66 K70	E30-K68 WeakPolarHBondContact OE1-CD 3.48Å; E30-K68 IonicContact OE1-NZ 3.06Å; E30-K68 IonicContact OE2-NZ 3.91Å; M35-K68 HydrophobicContact CB-CB 3.79Å; M35-K68 PolarHBondContact N-O 3.46Å; N65-K68 HydrophobicContact CB-CD 4.36Å; N65-K68 WeakPolarHBondContact O-CB 3.29Å; N65-K68 PolarHBondContact O-N 3.41Å; N65-K68 PolarHBondContact OD1-NZ 2.84Å; K66-K68 PolarHBondContact O-N 3.31Å; K68-K70 WeakPolarHBondContact O-CD 3.39Å; K68-K70 WeakPolarHBondContact O-CE 3.48Å; K68-K70 WeakPolarHBondContact O-CG 3.41Å; K68-K70 PolarHBondContact O-N 3.24Å; K68-K70 VanDerWaalsContact O-N 3.17Å
69	L	98.3	Very high	97.3	Very high	16 Å²	16	37.1 Å²	37.1	8%	0.084	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	114.5	-173.7	-176.4	64.1	0	0	0	111.1	M35 M37 V62 K66 L92 A94	M35-L69 HydrophobicContact CG-CD1 4.24Å; M35-L69 WeakPolarHBondContact O-CA 3.43Å; M35-L69 HydrophobicContact SD-CB 4.3Å; M35-L69 HydrophobicContact SD-CD1 4.11Å; M37-L69 HydrophobicContact CB-CD1 4.11Å; V62-L69 HydrophobicContact CG1-CD2 3.95Å; K66-L69 WeakPolarHBondContact O-CB 3.35Å; K66-L69 PolarHBondContact O-N 2.95Å; K66-L69 VanDerWaalsContact O-N 3.13Å; L69-L92 HydrophobicContact CD2-CD1 3.6Å; L69-L92 HydrophobicContact CD2-CD2 4.14Å; L69-A94 HydrophobicContact CD2-CB 3.78Å; L69-A94 HydrophobicContact CG-CB 4.33Å
70	K	98.3	Very high	97	Very high	65 Å²	65	39.2 Å²	39.2	28%	0.283	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-17.5	-179.6	-57.7	-46.8	176.8	-157.6	0	113.6	E34 M35 F36 D67 K68 P95 F132	E34-K70 HydrophobicContact CB-CG 3.86Å; E34-K70 HydrophobicContact CG-CD 4.38Å; E34-K70 HydrophobicContact CG-CG 3.85Å; M35-K70 PolarHBondContact O-N 2.97Å; F36-K70 HydrophobicContact CD1-CB 4.16Å; F36-K70 HydrophobicContact CE1-CB 3.78Å; F36-K70 HydrophobicContact CE1-CG 4.23Å; D67-K70 PolarHBondContact O-NZ 3.09Å; D67-K70 VanDerWaalsContact O-NZ 3.08Å; K68-K70 WeakPolarHBondContact O-CD 3.39Å; K68-K70 WeakPolarHBondContact O-CE 3.48Å; K68-K70 WeakPolarHBondContact O-CG 3.41Å; K68-K70 PolarHBondContact O-N 3.24Å; K68-K70 VanDerWaalsContact O-N 3.17Å; K70-P95 WeakPolarHBondContact O-CG 3.44Å; K70-F132 HydrophobicContact CB-CD1 3.8Å; K70-F132 HydrophobicContact CB-CE1 3.81Å; K70-F132 HydrophobicContact CG-CD1 4.29Å
71	G	98.1	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.5	166.5	174	0	0	0	0	0	114.4	M37 P95	M37-G71 PolarHBondContact N-O 3.08Å; M37-G71 VanDerWaalsContact N-O 3.1Å; G71-P95 VanDerWaalsContact CA-O 3.23Å; G71-P95 WeakPolarHBondContact CA-O 3.33Å
72	I	98.7	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.1	171.9	-51.3	176	0	0	0	107.4	M37 A40 L74 V88 L89 A94 P95 V96 Y97	M37-I72 HydrophobicContact CB-CG1 4.32Å; M37-I72 HydrophobicContact CB-CG2 4.45Å; M37-I72 HydrophobicContact CG-CG2 4.19Å; M37-I72 CarbonylContact O-C 3.42Å; M37-I72 WeakPolarHBondContact O-CA 3.11Å; M37-I72 HydrophobicContact SD-CD1 4.06Å; M37-I72 HydrophobicContact SD-CG1 3.89Å; M37-I72 HydrophobicContact SD-CG2 4.01Å; A40-I72 HydrophobicContact CB-CG2 4.49Å; I72-L74 HydrophobicContact CG2-CD2 3.73Å; I72-L74 HydrophobicContact CG2-CG 4.31Å; I72-V88 HydrophobicContact CD1-CG1 3.99Å; I72-L89 HydrophobicContact CD1-CD2 4.09Å; I72-L89 HydrophobicContact CD1-CG 4.5Å; I72-A94 HydrophobicContact CD1-CB 4.15Å; I72-A94 HydrophobicContact CG1-CB 4.04Å; I72-P95 PolarHBondContact N-O 3.27Å; I72-V96 WeakPolarHBondContact O-CA 3.38Å; I72-Y97 PolarHBondContact O-N 2.89Å
73	F	98.8	Very high	96.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.4	-177.3	-65.4	-98.3	0	0	0	109.1	F36 M37 L38 D39 Y97 M130 F132 I137 F139 V152	F36-F73 HydrophobicContact CB-CD2 4.31Å; F36-F73 HydrophobicContact CB-CE2 4.21Å; F36-F73 AromaticContact CD1-CE2 3.71Å; F36-F73 HydrophobicContact CD1-CE2 3.71Å; F36-F73 HydrophobicContact CD1-CZ 4.21Å; F36-F73 HydrophobicContact CG-CE2 4.4Å; M37-F73 PolarHBondContact O-N 2.87Å; L38-F73 HydrophobicContact CD2-CB 4.07Å; D39-F73 PolarHBondContact N-O 3.44Å; F73-Y97 HydrophobicContact CD1-CD2 4.16Å; F73-Y97 HydrophobicContact CD1-CG 4.03Å; F73-Y97 HydrophobicContact CD2-CD2 4.48Å; F73-Y97 HydrophobicContact CE1-CD1 4.23Å; F73-Y97 AromaticContact CE1-CD2 3.72Å; F73-Y97 HydrophobicContact CE1-CD2 3.72Å; F73-Y97 HydrophobicContact CE1-CE2 4.3Å; F73-Y97 AromaticContact CE1-CG 3.7Å; F73-Y97 HydrophobicContact CE1-CG 3.7Å; F73-Y97 HydrophobicContact CE2-CD2 4.03Å; F73-Y97 HydrophobicContact CE2-CE2 4.34Å; F73-Y97 AromaticContact CZ-CD2 3.64Å; F73-Y97 HydrophobicContact CZ-CD2 3.64Å; F73-Y97 AromaticContact CZ-CE2 3.87Å; F73-Y97 HydrophobicContact CZ-CE2 3.87Å; F73-Y97 HydrophobicContact CZ-CG 4.1Å; F73-M130 HydrophobicContact CE1-CG 4.48Å; F73-F132 HydrophobicContact CE1-CE2 4.27Å; F73-F132 HydrophobicContact CE1-CZ 4.4Å; F73-F132 AromaticContact CZ-CE2 3.67Å; F73-F132 HydrophobicContact CZ-CE2 3.67Å; F73-F132 AromaticContact CZ-CZ 3.59Å; F73-F132 HydrophobicContact CZ-CZ 3.59Å; F73-I137 HydrophobicContact CD1-CD1 4.43Å; F73-I137 HydrophobicContact CD1-CG2 4.04Å; F73-I137 HydrophobicContact CD2-CD1 4.46Å; F73-I137 HydrophobicContact CE1-CB 4.23Å; F73-I137 HydrophobicContact CE1-CD1 3.77Å; F73-I137 HydrophobicContact CE1-CG2 3.87Å; F73-I137 HydrophobicContact CE2-CD1 3.86Å; F73-I137 HydrophobicContact CZ-CD1 3.46Å; F73-I137 VanDerWaalsContact CZ-CD1 3.46Å; F73-F139 AromaticContact CD1-CE1 4Å; F73-F139 HydrophobicContact CD1-CE1 4Å; F73-F139 AromaticContact CD1-CZ 3.87Å; F73-F139 HydrophobicContact CD1-CZ 3.87Å; F73-F139 HydrophobicContact CE1-CZ 4.19Å; F73-V152 HydrophobicContact CB-CG1 4.41Å; F73-V152 HydrophobicContact CB-CG2 4.37Å
74	L	98.8	Very high	96.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.167	C	C	.	.			trans	-115.2	126.7	-168.8	-56.1	170.9	0	0	0	110.9	D39 I72 I82 V85 V96 Y97 T102 I106	D39-L74 VanDerWaalsContact OD1-CA 3.25Å; D39-L74 WeakPolarHBondContact OD1-CA 3.46Å; I72-L74 HydrophobicContact CG2-CD2 3.73Å; I72-L74 HydrophobicContact CG2-CG 4.31Å; L74-I82 HydrophobicContact CD1-CG2 4.43Å; L74-I82 HydrophobicContact CD2-CG2 4.46Å; L74-V85 HydrophobicContact CD1-CG2 4.34Å; L74-V85 HydrophobicContact CD2-CG2 3.81Å; L74-V96 HydrophobicContact CD1-CG1 3.41Å; L74-V96 VanDerWaalsContact CD1-CG1 3.41Å; L74-V96 HydrophobicContact CG-CG1 4.22Å; L74-Y97 PolarHBondContact N-O 3.36Å; L74-T102 HydrophobicContact CB-CG2 3.71Å; L74-T102 HydrophobicContact CD1-CG2 3.92Å; L74-I106 HydrophobicContact CD1-CD1 2.96Å; L74-I106 HydrophobicContact CD1-CG1 4.43Å; L74-I106 HydrophobicContact CG-CD1 4.37Å
75	T	98.5	Very high	96.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.134	C	C	.	.			trans	-77.4	-45.5	-174.5	59	0	0	0	0	111.7	D39 L150 V152 Y163	D39-T75 PolarHBondContact OD1-N 2.99Å; D39-T75 PolarHBondContact OD1-OG1 3.48Å; D39-T75 PolarHBondContact OD2-OG1 2.91Å; T75-L150 WeakPolarHBondContact CA-O 3.38Å; T75-L150 WeakPolarHBondContact CB-O 3.26Å; T75-L150 WeakPolarHBondContact CG2-O 3.45Å; T75-L150 PolarHBondContact O-N 3.32Å; T75-V152 HydrophobicContact CG2-CG2 4.18Å; T75-Y163 HydrophobicContact CG2-CD1 3.57Å; T75-Y163 HydrophobicContact CG2-CE1 3.28Å
76	H	97.7	Very high	96.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.			trans	-158.4	178.8	-176.2	68.1	-68.5	0	0	0	111.7	H78 A81 I82 H144 I146 E166	H76-H78 AromaticContact CD2-CD2 3.82Å; H76-H78 AromaticContact CD2-CG 3.41Å; H76-H78 VanDerWaalsContact CD2-CG 3.41Å; H76-H78 AromaticContact CD2-ND1 3.73Å; H76-H78 VanDerWaalsContact NE2-CB 3.32Å; H76-H78 WeakPolarHBondContact NE2-CB 3.44Å; H76-H78 AromaticContact NE2-CG 3.37Å; H76-H78 AromaticContact NE2-ND1 3.42Å; H76-H78 PolarHBondContact NE2-ND1 3.15Å; H76-A81 VanDerWaalsContact CE1-CB 3.47Å; H76-A81 WeakPolarHBondContact CE1-CB 3.33Å; H76-I82 WeakPolarHBondContact O-CG2 3.45Å; H76-H144 AromaticContact CD2-CD2 3.46Å; H76-H144 PolarHBondContact CD2-CD2 2.94Å; H76-H144 VanDerWaalsContact CD2-CD2 3.46Å; H76-H144 AromaticContact CD2-NE2 3.88Å; H76-H144 AromaticContact NE2-CD2 3.63Å; H76-H144 AromaticContact NE2-NE2 3.6Å; H76-I146 HydrophobicContact CB-CG2 3.88Å; H76-E166 VanDerWaalsContact CE1-CD 3.45Å; H76-E166 IonicContact CE1-OE1 3.99Å; H76-E166 IonicContact CE1-OE2 3.82Å; H76-E166 IonicContact NE2-OE1 2.85Å; H76-E166 IonicContact NE2-OE2 3.69Å
77	G	95.8	Very high	96.5	Very high	7 Å²	7	21.3 Å²	21.3	7%	0.072	11%	0.105	C	C	.	.	S	Bend	trans	-93.9	17.8	-170.1	0	0	0	0	0	116.8	T102	G77-T102 PolarHBondContact N-OG1 2.9Å
78	H	94.1	Very high	96.4	Very high	16 Å²	16	14.9 Å²	14.9	7%	0.074	7%	0.07	C	C	.	.	S	Bend	trans	-80.7	151	175.6	-69.8	-178.5	0	0	0	111.7	H76 H80 A81 I82 H144 S145 E166 S236	H76-H78 AromaticContact CD2-CD2 3.82Å; H76-H78 AromaticContact CD2-CG 3.41Å; H76-H78 VanDerWaalsContact CD2-CG 3.41Å; H76-H78 AromaticContact CD2-ND1 3.73Å; H76-H78 VanDerWaalsContact NE2-CB 3.32Å; H76-H78 WeakPolarHBondContact NE2-CB 3.44Å; H76-H78 AromaticContact NE2-CG 3.37Å; H76-H78 AromaticContact NE2-ND1 3.42Å; H76-H78 PolarHBondContact NE2-ND1 3.15Å; H78-H80 PolarHBondContact O-N 3.32Å; H78-A81 WeakPolarHBondContact O-CA 3.4Å; H78-A81 PolarHBondContact O-N 3.24Å; H78-I82 WeakPolarHBondContact O-CG1 3.47Å; H78-I82 PolarHBondContact O-N 2.99Å; H78-H144 AromaticContact CE1-CD2 3.9Å; H78-H144 AromaticContact CE1-CE1 3.96Å; H78-H144 AromaticContact CE1-NE2 3.4Å; H78-H144 PolarHBondContact CE1-NE2 3.1Å; H78-H144 AromaticContact ND1-NE2 3.56Å; H78-S145 PolarHBondContact CE1-OG 3.43Å; H78-S145 PolarHBondContact NE2-OG 2.95Å; H78-E166 IonicContact ND1-OE2 3.55Å; H78-S236 VanDerWaalsContact CD2-CB 3.42Å; H78-S236 WeakPolarHBondContact CD2-CB 3.26Å
79	E	91.7	Very high	96.3	Very high	60 Å²	60	12 Å²	12	28%	0.28	6%	0.058	S	C	.	.	H	α-helix	trans	-58.3	-31.5	177.2	-68.5	-60	152.2	0	0	112.4	G41 L42 A81 G83 N109	G41-E79 WeakPolarHBondContact CA-O 3.47Å; L42-E79 HydrophobicContact CD1-CB 4.16Å; L42-E79 HydrophobicContact CG-CB 4.22Å; L42-E79 PolarHBondContact N-O 3.08Å; E79-A81 PolarHBondContact O-N 3.07Å; E79-A81 VanDerWaalsContact O-N 3.17Å; E79-G83 WeakPolarHBondContact O-CA 3.29Å; E79-G83 PolarHBondContact O-N 2.88Å; E79-G83 WeakPolarHBondContact OE2-CA 3.37Å; E79-N109 PolarHBondContact OE1-ND2 3.25Å; E79-N109 VanDerWaalsContact OE1-ND2 3.11Å
80	H	92	Very high	96.1	Very high	52 Å²	52	16 Å²	16	24%	0.241	8%	0.076	C	C	.	.	H	α-helix	trans	-67.8	-11.1	174.8	-58.4	170.4	0	0	0	114.2	A23 N25 G41 L42 F44 H78	A23-H80 HydrophobicContact CB-CB 3.78Å; A23-H80 WeakPolarHBondContact CB-CD2 3.49Å; N25-H80 WeakPolarHBondContact CB-O 3.3Å; N25-H80 PolarHBondContact N-O 2.83Å; N25-H80 VanDerWaalsContact N-O 3.12Å; N25-H80 PolarHBondContact ND2-O 3.12Å; G41-H80 VanDerWaalsContact CA-C 3.43Å; G41-H80 WeakPolarHBondContact CA-O 3.24Å; L42-H80 WeakPolarHBondContact O-CA 3.46Å; F44-H80 AromaticContact CD2-NE2 4Å; H78-H80 PolarHBondContact O-N 3.32Å
81	A	96.6	Very high	95.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-115.6	-28.7	175.6	0	0	0	0	0	113.4	D39 A40 G41 H76 H78 E79	D39-A81 HydrophobicContact CB-CB 4.26Å; D39-A81 WeakPolarHBondContact CB-O 3.42Å; A40-A81 CarbonylContact C-O 3.59Å; A40-A81 PolarHBondContact N-O 3.06Å; G41-A81 PolarHBondContact N-O 3.07Å; H76-A81 VanDerWaalsContact CE1-CB 3.47Å; H76-A81 WeakPolarHBondContact CE1-CB 3.33Å; H78-A81 WeakPolarHBondContact O-CA 3.4Å; H78-A81 PolarHBondContact O-N 3.24Å; E79-A81 PolarHBondContact O-N 3.07Å; E79-A81 VanDerWaalsContact O-N 3.17Å
82	I	96.9	Very high	95.6	Very high	3 Å²	3	18 Å²	18	2%	0.015	9%	0.087	C	C	.	.	H	α-helix	trans	-119.8	-13.5	-174.5	76.4	-176.9	0	0	0	115.2	A40 L74 H76 H78 A84 V85 T102 L105 I106	A40-I82 CarbonylContact O-C 3.57Å; A40-I82 WeakPolarHBondContact O-CA 3.19Å; L74-I82 HydrophobicContact CD1-CG2 4.43Å; L74-I82 HydrophobicContact CD2-CG2 4.46Å; H76-I82 WeakPolarHBondContact O-CG2 3.45Å; H78-I82 WeakPolarHBondContact O-CG1 3.47Å; H78-I82 PolarHBondContact O-N 2.99Å; I82-A84 VanDerWaalsContact C-N 3.28Å; I82-A84 PolarHBondContact O-N 3.19Å; I82-V85 HydrophobicContact CB-CG2 4.28Å; I82-V85 WeakPolarHBondContact O-CB 3.44Å; I82-V85 WeakPolarHBondContact O-CG2 3.34Å; I82-V85 PolarHBondContact O-N 2.93Å; I82-T102 HydrophobicContact CG2-CG2 3.89Å; I82-L105 HydrophobicContact CD1-CB 3.96Å; I82-I106 HydrophobicContact CB-CD1 4.05Å; I82-I106 HydrophobicContact CB-CG1 3.98Å; I82-I106 HydrophobicContact CD1-CG1 4.03Å; I82-I106 HydrophobicContact CG1-CG1 4.36Å; I82-I106 HydrophobicContact CG2-CD1 4.12Å; I82-I106 HydrophobicContact CG2-CG1 4.41Å
83	G	94.3	Very high	95.4	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.021	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-30.7	-165.5	0	0	0	0	0	113.8	A40 E79	A40-G83 PolarHBondContact O-N 2.83Å; E79-G83 WeakPolarHBondContact O-CA 3.29Å; E79-G83 PolarHBondContact O-N 2.88Å; E79-G83 WeakPolarHBondContact OE2-CA 3.37Å
84	A	96.3	Very high	95.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-12.8	175.3	0	0	0	0	0	113.8	M26 A40 G41 I56 I82 S86 Y87 V88	M26-A84 HydrophobicContact CE-CB 4.47Å; A40-A84 HydrophobicContact CB-CB 4.42Å; A40-A84 CarbonylContact O-C 3.53Å; A40-A84 VanDerWaalsContact O-CA 3.32Å; A40-A84 WeakPolarHBondContact O-CA 3.21Å; A40-A84 WeakPolarHBondContact O-CB 3.32Å; A40-A84 PolarHBondContact O-N 3Å; G41-A84 WeakPolarHBondContact O-CB 3.34Å; I56-A84 HydrophobicContact CB-CB 3.95Å; I56-A84 HydrophobicContact CG2-CB 3.67Å; I82-A84 VanDerWaalsContact C-N 3.28Å; I82-A84 PolarHBondContact O-N 3.19Å; A84-S86 PolarHBondContact O-N 3.42Å; A84-S86 VanDerWaalsContact O-N 3.14Å; A84-Y87 WeakPolarHBondContact O-CA 3.12Å; A84-Y87 WeakPolarHBondContact O-CB 3.44Å; A84-Y87 PolarHBondContact O-N 3.35Å; A84-V88 WeakPolarHBondContact O-CG2 3.48Å; A84-V88 PolarHBondContact O-N 2.8Å
85	V	97.2	Very high	95.3	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-52.1	-43.5	-177.3	172.5	0	0	0	0	111.6	A40 L74 I82 Y87 V88 L89 I106	A40-V85 HydrophobicContact CB-CG2 3.77Å; A40-V85 PolarHBondContact O-N 2.88Å; L74-V85 HydrophobicContact CD1-CG2 4.34Å; L74-V85 HydrophobicContact CD2-CG2 3.81Å; I82-V85 HydrophobicContact CB-CG2 4.28Å; I82-V85 WeakPolarHBondContact O-CB 3.44Å; I82-V85 WeakPolarHBondContact O-CG2 3.34Å; I82-V85 PolarHBondContact O-N 2.93Å; V85-Y87 VanDerWaalsContact C-N 3.32Å; V85-Y87 PolarHBondContact O-N 3.36Å; V85-V88 PolarHBondContact O-N 2.81Å; V85-L89 HydrophobicContact CG1-CD1 3.51Å; V85-L89 HydrophobicContact CG1-CG 4.11Å; V85-L89 WeakPolarHBondContact O-CB 3.32Å; V85-L89 VanDerWaalsContact O-CG 3.24Å; V85-L89 WeakPolarHBondContact O-CG 3.44Å; V85-L89 PolarHBondContact O-N 2.82Å; V85-I106 HydrophobicContact CB-CD1 4.45Å; V85-I106 HydrophobicContact CG1-CD1 4.21Å; V85-I106 HydrophobicContact CG1-CG2 4.02Å; V85-I106 HydrophobicContact CG2-CD1 4.14Å
86	S	94.7	Very high	95.3	Very high	5 Å²	5	25.1 Å²	25.1	4%	0.035	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-36.5	180	56.4	0	0	0	0	112.6	A84 E90 R113 I115	A84-S86 PolarHBondContact O-N 3.42Å; A84-S86 VanDerWaalsContact O-N 3.14Å; S86-E90 PolarHBondContact O-N 2.93Å; S86-R113 VanDerWaalsContact CB-NH1 3.26Å; S86-R113 WeakPolarHBondContact OG-CD 3.2Å; S86-R113 PolarHBondContact OG-NH1 2.88Å; S86-I115 WeakPolarHBondContact O-CD1 3.27Å
87	Y	94.8	Very high	95.3	Very high	21 Å²	21	26 Å²	26	8%	0.082	13%	0.13	C	C	.	.	H	α-helix	trans	-73.9	-38	177.5	-62.3	-89.6	0	0	0	111.5	I56 A84 V85 I444 I449	I56-Y87 HydrophobicContact CD1-CD1 4.24Å; I56-Y87 HydrophobicContact CD1-CG 3.88Å; I56-Y87 HydrophobicContact CG2-CD2 4.34Å; A84-Y87 WeakPolarHBondContact O-CA 3.12Å; A84-Y87 WeakPolarHBondContact O-CB 3.44Å; A84-Y87 PolarHBondContact O-N 3.35Å; V85-Y87 VanDerWaalsContact C-N 3.32Å; V85-Y87 PolarHBondContact O-N 3.36Å; Y87-I444 HydrophobicContact CD1-CD1 3.66Å; Y87-I444 HydrophobicContact CD1-CG1 4.46Å; Y87-I444 HydrophobicContact CD2-CD1 4.35Å; Y87-I444 HydrophobicContact CE1-CD1 3.31Å; Y87-I444 HydrophobicContact CE1-CG1 4.05Å; Y87-I444 HydrophobicContact CE1-CG2 4.23Å; Y87-I444 HydrophobicContact CE2-CD1 4.05Å; Y87-I444 HydrophobicContact CG-CD1 4.18Å; Y87-I449 HydrophobicContact CD1-CD1 3.85Å; Y87-I449 HydrophobicContact CD1-CG1 4.2Å; Y87-I449 HydrophobicContact CE1-CD1 4.15Å; Y87-I449 HydrophobicContact CE1-CG1 4.23Å
88	V	95.8	Very high	95.5	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.018	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-49.5	175.3	175.6	0	0	0	0	110.3	M26 M37 A40 I59 I72 A84 V85 E90 Q91 L92	M26-V88 HydrophobicContact CE-CG2 3.9Å; M37-V88 HydrophobicContact CE-CG1 4.29Å; M37-V88 HydrophobicContact SD-CG1 4.38Å; A40-V88 HydrophobicContact CB-CG2 4.3Å; I59-V88 HydrophobicContact CD1-CB 4.45Å; I59-V88 HydrophobicContact CD1-CG1 4.24Å; I59-V88 HydrophobicContact CD1-CG2 4.29Å; I59-V88 HydrophobicContact CG2-CG2 4.2Å; I72-V88 HydrophobicContact CD1-CG1 3.99Å; A84-V88 WeakPolarHBondContact O-CG2 3.48Å; A84-V88 PolarHBondContact O-N 2.8Å; V85-V88 PolarHBondContact O-N 2.81Å; V88-E90 PolarHBondContact O-N 2.88Å; V88-Q91 PolarHBondContact O-N 2.81Å; V88-L92 HydrophobicContact CG1-CD1 4.23Å; V88-L92 HydrophobicContact CG1-CD2 4.09Å; V88-L92 HydrophobicContact CG1-CG 4.07Å; V88-L92 PolarHBondContact O-N 3Å
89	L	95.5	Very high	95.7	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-68.9	-20.2	-177	-69	173.3	0	0	0	113.7	I72 V85 Q91 L92 A94 V96 M110 K117 V119	I72-L89 HydrophobicContact CD1-CD2 4.09Å; I72-L89 HydrophobicContact CD1-CG 4.5Å; V85-L89 HydrophobicContact CG1-CD1 3.51Å; V85-L89 HydrophobicContact CG1-CG 4.11Å; V85-L89 WeakPolarHBondContact O-CB 3.32Å; V85-L89 VanDerWaalsContact O-CG 3.24Å; V85-L89 WeakPolarHBondContact O-CG 3.44Å; V85-L89 PolarHBondContact O-N 2.82Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-L92 CarbonylContact C-O 3.56Å; L89-L92 WeakPolarHBondContact CA-O 3.48Å; L89-A94 HydrophobicContact CD2-CB 4.37Å; L89-V96 HydrophobicContact CD1-CG2 3.88Å; L89-V96 HydrophobicContact CD2-CG2 4.16Å; L89-M110 HydrophobicContact CB-CE 4.45Å; L89-M110 HydrophobicContact CD1-CE 4.33Å; L89-M110 HydrophobicContact CD1-SD 4.22Å; L89-K117 WeakPolarHBondContact O-CD 3.46Å; L89-K117 WeakPolarHBondContact O-CE 3.38Å; L89-K117 PolarHBondContact O-NZ 2.89Å; L89-V119 HydrophobicContact CD1-CG1 3.96Å; L89-V119 HydrophobicContact CD1-CG2 3.95Å; L89-V119 HydrophobicContact CD2-CG1 4.44Å
90	E	92.7	Very high	95.9	Very high	99 Å²	99	27.5 Å²	27.5	46%	0.463	13%	0.134	S	C	.	.	H	α-helix	trans	-66.9	-37.3	170.8	-167.9	165.6	-164.7	0	0	111.2	S86 V88 R113	S86-E90 PolarHBondContact O-N 2.93Å; V88-E90 PolarHBondContact O-N 2.88Å; E90-R113 IonicContact OE2-CZ 3.73Å; E90-R113 IonicContact OE2-NH2 2.81Å; E90-R113 PolarHBondContact OE2-NH2 2.81Å
91	Q	93	Very high	96.2	Very high	98 Å²	98	25 Å²	25	46%	0.458	12%	0.122	S	C	.	.	H	α-helix	trans	-89.2	-26.8	-176.7	-62.7	-177.3	61.9	0	0	114.1	I59 L63 V88 L89	I59-Q91 HydrophobicContact CD1-CB 4.36Å; L63-Q91 HydrophobicContact CD2-CB 4.03Å; V88-Q91 PolarHBondContact O-N 2.81Å; L89-Q91 VanDerWaalsContact C-N 3.32Å
92	L	94.5	Very high	96.2	Very high	9 Å²	9	25 Å²	25	5%	0.047	12%	0.122	C	C	.	.	S	Bend	trans	-142.2	163	-178.9	67.9	80.1	0	0	0	113.7	I59 V62 L63 L69 V88 L89 A94 K117	I59-L92 HydrophobicContact CD1-CD2 4.39Å; V62-L92 HydrophobicContact CG1-CD2 3.77Å; L63-L92 HydrophobicContact CD2-CB 4.1Å; L63-L92 HydrophobicContact CD2-CD2 3.96Å; L69-L92 HydrophobicContact CD2-CD1 3.6Å; L69-L92 HydrophobicContact CD2-CD2 4.14Å; V88-L92 HydrophobicContact CG1-CD1 4.23Å; V88-L92 HydrophobicContact CG1-CD2 4.09Å; V88-L92 HydrophobicContact CG1-CG 4.07Å; V88-L92 PolarHBondContact O-N 3Å; L89-L92 CarbonylContact C-O 3.56Å; L89-L92 WeakPolarHBondContact CA-O 3.48Å; L92-A94 HydrophobicContact CD1-CB 3.67Å; L92-K117 PolarHBondContact O-NZ 2.99Å
93	D	94.6	Very high	96.3	Very high	130 Å²	130	25 Å²	25	70%	0.695	12%	0.122	S	C	*	.			trans	-97.8	118.2	174.5	-72.6	-48	0	0	0	110.9	K117	D93-K117 WeakPolarHBondContact OD1-CE 3.28Å; D93-K117 IonicContact OD1-NZ 2.65Å; D93-K117 PolarHBondContact OD1-NZ 3.19Å
94	A	96.5	Very high	96.4	Very high	9 Å²	9	26.1 Å²	26.1	7%	0.074	13%	0.131	C	C	.	.			trans	-144.8	144.2	173.1	0	0	0	0	0	111.5	L69 I72 L89 L92	L69-A94 HydrophobicContact CD2-CB 3.78Å; L69-A94 HydrophobicContact CG-CB 4.33Å; I72-A94 HydrophobicContact CD1-CB 4.15Å; I72-A94 HydrophobicContact CG1-CB 4.04Å; L89-A94 HydrophobicContact CD2-CB 4.37Å; L92-A94 HydrophobicContact CD1-CB 3.67Å
95	P	97.8	Very high	96.4	Very high	11 Å²	11	26.7 Å²	26.7	7%	0.071	13%	0.134	C	C	.	.			trans	-69.5	145.1	164.8	31	-33	0	0	0	110.5	K70 G71 I72 Y97 R120 Y122	K70-P95 WeakPolarHBondContact O-CG 3.44Å; G71-P95 VanDerWaalsContact CA-O 3.23Å; G71-P95 WeakPolarHBondContact CA-O 3.33Å; I72-P95 PolarHBondContact N-O 3.27Å; P95-Y97 HydrophobicContact CB-CE2 3.95Å; P95-Y97 HydrophobicContact CG-CE2 3.89Å; P95-R120 CarbonylContact C-O 3.56Å; P95-R120 WeakPolarHBondContact CA-O 3.5Å; P95-R120 HydrophobicContact CB-CB 4.21Å; P95-Y122 HydrophobicContact CB-CD2 4.05Å; P95-Y122 HydrophobicContact CB-CE2 3.72Å
96	V	98.6	Very high	96.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.9	-179.1	-179.5	0	0	0	0	109.3	I72 L74 L89 I103 I106 V119 R120 Y121 Y122	I72-V96 WeakPolarHBondContact O-CA 3.38Å; L74-V96 HydrophobicContact CD1-CG1 3.41Å; L74-V96 VanDerWaalsContact CD1-CG1 3.41Å; L74-V96 HydrophobicContact CG-CG1 4.22Å; L89-V96 HydrophobicContact CD1-CG2 3.88Å; L89-V96 HydrophobicContact CD2-CG2 4.16Å; V96-I103 HydrophobicContact CG1-CD1 3.94Å; V96-I106 HydrophobicContact CG1-CD1 4.33Å; V96-V119 HydrophobicContact CG2-CG1 3.85Å; V96-R120 PolarHBondContact N-O 2.83Å; V96-Y121 HydrophobicContact CB-CD1 3.92Å; V96-Y121 HydrophobicContact CB-CE1 4.27Å; V96-Y121 HydrophobicContact CG1-CD1 4.28Å; V96-Y121 HydrophobicContact CG2-CD1 4.48Å; V96-Y121 HydrophobicContact CG2-CE1 4.38Å; V96-Y121 CarbonylContact O-C 3.51Å; V96-Y121 WeakPolarHBondContact O-CA 3.37Å; V96-Y122 PolarHBondContact O-N 2.81Å
97	Y	98.8	Very high	96.3	Very high	20 Å²	20	31.6 Å²	31.6	8%	0.078	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.2	178.2	-57.6	-97	0	0	0	108.8	I72 F73 L74 P95 Y122 V124 M130 F132	I72-Y97 PolarHBondContact O-N 2.89Å; F73-Y97 HydrophobicContact CD1-CD2 4.16Å; F73-Y97 HydrophobicContact CD1-CG 4.03Å; F73-Y97 HydrophobicContact CD2-CD2 4.48Å; F73-Y97 HydrophobicContact CE1-CD1 4.23Å; F73-Y97 AromaticContact CE1-CD2 3.72Å; F73-Y97 HydrophobicContact CE1-CD2 3.72Å; F73-Y97 HydrophobicContact CE1-CE2 4.3Å; F73-Y97 AromaticContact CE1-CG 3.7Å; F73-Y97 HydrophobicContact CE1-CG 3.7Å; F73-Y97 HydrophobicContact CE2-CD2 4.03Å; F73-Y97 HydrophobicContact CE2-CE2 4.34Å; F73-Y97 AromaticContact CZ-CD2 3.64Å; F73-Y97 HydrophobicContact CZ-CD2 3.64Å; F73-Y97 AromaticContact CZ-CE2 3.87Å; F73-Y97 HydrophobicContact CZ-CE2 3.87Å; F73-Y97 HydrophobicContact CZ-CG 4.1Å; L74-Y97 PolarHBondContact N-O 3.36Å; P95-Y97 HydrophobicContact CB-CE2 3.95Å; P95-Y97 HydrophobicContact CG-CE2 3.89Å; Y97-Y122 WeakPolarHBondContact CA-O 3.43Å; Y97-Y122 VanDerWaalsContact CD1-CB 3.44Å; Y97-Y122 AromaticContact CD1-CD2 3.99Å; Y97-Y122 HydrophobicContact CD1-CD2 3.99Å; Y97-Y122 AromaticContact CD1-CG 3.97Å; Y97-Y122 HydrophobicContact CD1-CG 3.97Å; Y97-Y122 AromaticContact CE1-CD2 3.43Å; Y97-Y122 HydrophobicContact CE1-CD2 3.43Å; Y97-Y122 VanDerWaalsContact CE1-CD2 3.43Å; Y97-Y122 HydrophobicContact CE1-CE2 4.19Å; Y97-Y122 AromaticContact CE1-CG 3.63Å; Y97-Y122 HydrophobicContact CE1-CG 3.63Å; Y97-Y122 HydrophobicContact CE2-CD2 4.3Å; Y97-Y122 AromaticContact CZ-CD2 3.62Å; Y97-V124 HydrophobicContact CD1-CG1 4.22Å; Y97-M130 HydrophobicContact CD1-CG 3.86Å; Y97-M130 HydrophobicContact CD1-SD 3.8Å; Y97-M130 HydrophobicContact CE1-CG 3.96Å; Y97-M130 HydrophobicContact CE1-SD 3.7Å; Y97-F132 HydrophobicContact CE2-CZ 4.25Å; Y97-F132 AromaticContact CZ-CZ 3.95Å
98	G	98.5	Very high	96.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	170.2	177.7	0	0	0	0	0	111.3	Y122 T123 V124	G98-Y122 PolarHBondContact N-O 2.85Å; G98-T123 VanDerWaalsContact O-CA 3.31Å; G98-T123 WeakPolarHBondContact O-CA 3.35Å; G98-V124 PolarHBondContact O-N 2.78Å
99	S	98	Very high	96	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.014	17%	0.174	C	C	.	.			trans	-65	167.8	176.1	75.2	0	0	0	0	112.3	L101 T102 I103 V124 D148	S99-L101 VanDerWaalsContact C-N 3.28Å; S99-L101 PolarHBondContact O-N 3.37Å; S99-T102 PolarHBondContact O-N 3.04Å; S99-T102 PolarHBondContact OG-N 3.23Å; S99-T102 PolarHBondContact OG-OG1 3.03Å; S99-I103 VanDerWaalsContact O-CG1 3.32Å; S99-I103 WeakPolarHBondContact O-CG1 3.42Å; S99-I103 PolarHBondContact O-N 2.81Å; S99-V124 WeakPolarHBondContact CA-O 3.31Å; S99-D148 VanDerWaalsContact CB-O 3.32Å; S99-D148 WeakPolarHBondContact CB-O 3.28Å; S99-D148 WeakPolarHBondContact OG-CB 3.45Å; S99-D148 PolarHBondContact OG-O 2.9Å
100	K	97.3	Very high	95.9	Very high	111 Å²	111	35.7 Å²	35.7	48%	0.483	18%	0.176	S	C	.	.	H	α-helix	trans	-58.3	-44.1	-175.7	-164.1	-162.5	174.9	-176.2	0	110.9	A104 T123 M272	K100-A104 PolarHBondContact O-N 3.26Å; K100-T123 HydrophobicContact CB-CG2 3.86Å; K100-T123 HydrophobicContact CG-CG2 4.33Å; K100-M272 HydrophobicContact CB-CE 4.04Å; K100-M272 HydrophobicContact CD-CE 3.53Å; K100-M272 HydrophobicContact CG-CE 3.42Å; K100-M272 VanDerWaalsContact CG-CE 3.42Å; K100-M272 WeakPolarHBondContact O-CE 3.32Å
101	L	97.3	Very high	95.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.2	-49.6	176.5	179.9	58.8	0	0	0	111.6	S99 I103 A104 L105 I146 P147 F238 A269 M272 Y274	S99-L101 VanDerWaalsContact C-N 3.28Å; S99-L101 PolarHBondContact O-N 3.37Å; L101-I103 VanDerWaalsContact C-N 3.32Å; L101-I103 PolarHBondContact O-N 2.93Å; L101-A104 WeakPolarHBondContact O-CB 3.33Å; L101-A104 PolarHBondContact O-N 3.41Å; L101-L105 HydrophobicContact CD1-CD1 4.14Å; L101-L105 HydrophobicContact CD1-CG 4.16Å; L101-L105 HydrophobicContact CG-CD1 4.01Å; L101-L105 HydrophobicContact CG-CG 4.45Å; L101-L105 WeakPolarHBondContact O-CG 3.32Å; L101-L105 PolarHBondContact O-N 3.01Å; L101-I146 HydrophobicContact CD2-CD1 4.14Å; L101-I146 HydrophobicContact CD2-CG1 3.78Å; L101-P147 HydrophobicContact CD2-CB 4.3Å; L101-P147 HydrophobicContact CD2-CG 3.82Å; L101-F238 HydrophobicContact CD1-CE2 4.23Å; L101-F238 HydrophobicContact CD2-CD2 4.29Å; L101-F238 HydrophobicContact CD2-CE2 3.79Å; L101-A269 HydrophobicContact CD1-CB 4.19Å; L101-M272 HydrophobicContact CD1-SD 4.39Å; L101-Y274 HydrophobicContact CB-CE2 3.82Å; L101-Y274 HydrophobicContact CD1-CD2 4.18Å; L101-Y274 HydrophobicContact CD1-CE2 4.03Å; L101-Y274 HydrophobicContact CD2-CE2 4.47Å; L101-Y274 HydrophobicContact CG-CE2 4.32Å; L101-Y274 PolarHBondContact N-OH 3.19Å
102	T	97.9	Very high	95.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.4	-45.3	-179.5	-58.3	0	0	0	0	112	L74 G77 I82 S99 A104 L105 I106	L74-T102 HydrophobicContact CB-CG2 3.71Å; L74-T102 HydrophobicContact CD1-CG2 3.92Å; G77-T102 PolarHBondContact N-OG1 2.9Å; I82-T102 HydrophobicContact CG2-CG2 3.89Å; S99-T102 PolarHBondContact O-N 3.04Å; S99-T102 PolarHBondContact OG-N 3.23Å; S99-T102 PolarHBondContact OG-OG1 3.03Å; T102-A104 VanDerWaalsContact C-N 3.33Å; T102-A104 PolarHBondContact O-N 3.2Å; T102-L105 PolarHBondContact O-N 3.12Å; T102-I106 HydrophobicContact CG2-CD1 4.28Å; T102-I106 WeakPolarHBondContact O-CG1 3.42Å; T102-I106 PolarHBondContact O-N 2.7Å
103	I	98	Very high	95.4	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-37.3	176.5	-64.7	-59.6	0	0	0	111.8	V96 S99 L101 K107 Y121	V96-I103 HydrophobicContact CG1-CD1 3.94Å; S99-I103 VanDerWaalsContact O-CG1 3.32Å; S99-I103 WeakPolarHBondContact O-CG1 3.42Å; S99-I103 PolarHBondContact O-N 2.81Å; L101-I103 VanDerWaalsContact C-N 3.32Å; L101-I103 PolarHBondContact O-N 2.93Å; I103-K107 HydrophobicContact CG2-CD 4.22Å; I103-K107 WeakPolarHBondContact O-CG 3.36Å; I103-K107 PolarHBondContact O-N 3.42Å; I103-Y121 HydrophobicContact CD1-CD1 3.99Å; I103-Y121 HydrophobicContact CG2-CD1 4.11Å; I103-Y121 HydrophobicContact CG2-CG 4.06Å
104	A	96.9	Very high	95.1	Very high	24 Å²	24	40 Å²	40	20%	0.198	20%	0.204	C	C	.	.	H	α-helix	trans	-66	-43	178	0	0	0	0	0	111.7	K100 L101 T102 K107 E108 I268 M272	K100-A104 PolarHBondContact O-N 3.26Å; L101-A104 WeakPolarHBondContact O-CB 3.33Å; L101-A104 PolarHBondContact O-N 3.41Å; T102-A104 VanDerWaalsContact C-N 3.33Å; T102-A104 PolarHBondContact O-N 3.2Å; A104-K107 PolarHBondContact O-N 3.01Å; A104-E108 PolarHBondContact O-N 3.39Å; A104-E108 VanDerWaalsContact O-N 3.12Å; A104-I268 HydrophobicContact CB-CG2 3.76Å; A104-M272 HydrophobicContact CB-CE 4.12Å; A104-M272 HydrophobicContact CB-SD 3.67Å
105	L	95.7	Very high	94.7	Very high	13 Å²	13	41 Å²	41	7%	0.068	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-43.1	177	-66.6	171.6	0	0	0	111.6	I82 L101 T102 K107 E108 N109 I146 I268	I82-L105 HydrophobicContact CD1-CB 3.96Å; L101-L105 HydrophobicContact CD1-CD1 4.14Å; L101-L105 HydrophobicContact CD1-CG 4.16Å; L101-L105 HydrophobicContact CG-CD1 4.01Å; L101-L105 HydrophobicContact CG-CG 4.45Å; L101-L105 WeakPolarHBondContact O-CG 3.32Å; L101-L105 PolarHBondContact O-N 3.01Å; T102-L105 PolarHBondContact O-N 3.12Å; L105-K107 VanDerWaalsContact C-N 3.35Å; L105-K107 PolarHBondContact O-N 3.14Å; L105-E108 PolarHBondContact O-N 2.81Å; L105-E108 VanDerWaalsContact O-N 3.16Å; L105-N109 PolarHBondContact O-N 2.52Å; L105-N109 PolarHBondContact O-OD1 3.38Å; L105-I146 HydrophobicContact CD1-CD1 4Å; L105-I268 HydrophobicContact CD2-CD1 4.16Å; L105-I268 HydrophobicContact CD2-CG2 4.44Å
106	I	95.6	Very high	94.2	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-42.1	176	-73.4	169	0	0	0	112.1	L74 I82 V85 V96 T102 E108 N109 M110 Y121	L74-I106 HydrophobicContact CD1-CD1 2.96Å; L74-I106 HydrophobicContact CD1-CG1 4.43Å; L74-I106 HydrophobicContact CG-CD1 4.37Å; I82-I106 HydrophobicContact CB-CD1 4.05Å; I82-I106 HydrophobicContact CB-CG1 3.98Å; I82-I106 HydrophobicContact CD1-CG1 4.03Å; I82-I106 HydrophobicContact CG1-CG1 4.36Å; I82-I106 HydrophobicContact CG2-CD1 4.12Å; I82-I106 HydrophobicContact CG2-CG1 4.41Å; V85-I106 HydrophobicContact CB-CD1 4.45Å; V85-I106 HydrophobicContact CG1-CD1 4.21Å; V85-I106 HydrophobicContact CG1-CG2 4.02Å; V85-I106 HydrophobicContact CG2-CD1 4.14Å; V96-I106 HydrophobicContact CG1-CD1 4.33Å; T102-I106 HydrophobicContact CG2-CD1 4.28Å; T102-I106 WeakPolarHBondContact O-CG1 3.42Å; T102-I106 PolarHBondContact O-N 2.7Å; I106-E108 PolarHBondContact O-N 2.89Å; I106-N109 PolarHBondContact O-N 2.89Å; I106-N109 VanDerWaalsContact O-N 3.14Å; I106-M110 HydrophobicContact CG2-CG 4.06Å; I106-M110 WeakPolarHBondContact O-CB 3.42Å; I106-M110 WeakPolarHBondContact O-CG 3.36Å; I106-M110 PolarHBondContact O-N 2.84Å; I106-Y121 HydrophobicContact CG2-CE1 3.8Å
107	K	95	Very high	93.8	Very high	107 Å²	107	51.3 Å²	51.3	47%	0.465	26%	0.259	S	S	.	.	H	α-helix	trans	-60.8	-37.5	177.3	-76.8	175.7	177.6	-179.3	0	111.5	I103 A104 L105 K111 Y121	I103-K107 HydrophobicContact CG2-CD 4.22Å; I103-K107 WeakPolarHBondContact O-CG 3.36Å; I103-K107 PolarHBondContact O-N 3.42Å; A104-K107 PolarHBondContact O-N 3.01Å; L105-K107 VanDerWaalsContact C-N 3.35Å; L105-K107 PolarHBondContact O-N 3.14Å; K107-K111 WeakPolarHBondContact O-CB 3.44Å; K107-K111 PolarHBondContact O-N 3.3Å; K107-K111 VanDerWaalsContact O-N 3.07Å; K107-Y121 HydrophobicContact CG-CD2 4.36Å; K107-Y121 HydrophobicContact CG-CE1 4.48Å; K107-Y121 HydrophobicContact CG-CE2 3.98Å
108	E	93.3	Very high	93.5	Very high	61 Å²	61	60.3 Å²	60.3	29%	0.285	30%	0.299	S	S	.	.	H	α-helix	trans	-67.3	-43.1	173.3	-167.4	65.4	-162.3	0	0	111.4	A104 L105 I106 M110 K111 A112 I268	A104-E108 PolarHBondContact O-N 3.39Å; A104-E108 VanDerWaalsContact O-N 3.12Å; L105-E108 PolarHBondContact O-N 2.81Å; L105-E108 VanDerWaalsContact O-N 3.16Å; I106-E108 PolarHBondContact O-N 2.89Å; E108-M110 PolarHBondContact O-N 3.32Å; E108-K111 WeakPolarHBondContact O-CB 3.22Å; E108-K111 PolarHBondContact O-N 2.86Å; E108-K111 VanDerWaalsContact O-N 3.16Å; E108-A112 WeakPolarHBondContact O-CB 3.38Å; E108-A112 PolarHBondContact O-N 2.83Å; E108-I268 HydrophobicContact CB-CD1 3.64Å; E108-I268 HydrophobicContact CG-CD1 3.8Å
109	N	90.6	Very high	93.3	Very high	42 Å²	42	61.4 Å²	61.4	23%	0.225	31%	0.306	C	S	.	.	H	α-helix	trans	-61.5	-41.8	177.1	-72.4	5	0	0	0	112	E79 L105 I106 K111 A112 R113	E79-N109 PolarHBondContact OE1-ND2 3.25Å; E79-N109 VanDerWaalsContact OE1-ND2 3.11Å; L105-N109 PolarHBondContact O-N 2.52Å; L105-N109 PolarHBondContact O-OD1 3.38Å; I106-N109 PolarHBondContact O-N 2.89Å; I106-N109 VanDerWaalsContact O-N 3.14Å; N109-K111 VanDerWaalsContact C-N 3.34Å; N109-K111 PolarHBondContact O-N 2.79Å; N109-A112 PolarHBondContact O-N 3.17Å; N109-R113 PolarHBondContact O-N 3.49Å; N109-R113 VanDerWaalsContact O-N 3.13Å
110	M	93.1	Very high	93.3	Very high	7 Å²	7	69 Å²	69	3%	0.034	33%	0.334	C	S	.	.	H	α-helix	trans	-61.7	-41.9	174.6	-68	-72.8	-69.4	0	0	111.8	L89 I106 E108 R113 N114 I115 V119	L89-M110 HydrophobicContact CB-CE 4.45Å; L89-M110 HydrophobicContact CD1-CE 4.33Å; L89-M110 HydrophobicContact CD1-SD 4.22Å; I106-M110 HydrophobicContact CG2-CG 4.06Å; I106-M110 WeakPolarHBondContact O-CB 3.42Å; I106-M110 WeakPolarHBondContact O-CG 3.36Å; I106-M110 PolarHBondContact O-N 2.84Å; E108-M110 PolarHBondContact O-N 3.32Å; M110-R113 PolarHBondContact O-N 2.94Å; M110-N114 PolarHBondContact O-N 3.18Å; M110-I115 HydrophobicContact CE-CB 3.82Å; M110-I115 HydrophobicContact CE-CD1 4.33Å; M110-I115 HydrophobicContact CE-CG2 3.42Å; M110-I115 VanDerWaalsContact CE-CG2 3.42Å; M110-I115 PolarHBondContact O-N 3.29Å; M110-I115 HydrophobicContact SD-CB 4.41Å; M110-I115 HydrophobicContact SD-CD1 4Å; M110-I115 HydrophobicContact SD-CG2 4.44Å; M110-V119 HydrophobicContact CE-CG2 3.96Å
111	K	92	Very high	93.3	Very high	140 Å²	140	66.2 Å²	66.2	61%	0.609	32%	0.321	S	S	*	.	H	α-helix	trans	-67.7	-43.3	177.3	-177.4	-172.9	171.8	-160.2	0	111.8	K107 E108 N109 R113 N114	K107-K111 WeakPolarHBondContact O-CB 3.44Å; K107-K111 PolarHBondContact O-N 3.3Å; K107-K111 VanDerWaalsContact O-N 3.07Å; E108-K111 WeakPolarHBondContact O-CB 3.22Å; E108-K111 PolarHBondContact O-N 2.86Å; E108-K111 VanDerWaalsContact O-N 3.16Å; N109-K111 VanDerWaalsContact C-N 3.34Å; N109-K111 PolarHBondContact O-N 2.79Å; K111-R113 PolarHBondContact O-N 3.13Å; K111-N114 PolarHBondContact O-N 2.95Å
112	A	88.1	Confident	93.3	Very high	73 Å²	73	71 Å²	71	60%	0.603	34%	0.339	S	S	*	.	H	α-helix	trans	-60.2	-33.2	177.6	0	0	0	0	0	112.1	E108 N109 N114	E108-A112 WeakPolarHBondContact O-CB 3.38Å; E108-A112 PolarHBondContact O-N 2.83Å; N109-A112 PolarHBondContact O-N 3.17Å; A112-N114 VanDerWaalsContact C-N 3.34Å
113	R	88.8	Confident	93.3	Very high	67 Å²	67	75 Å²	75	25%	0.253	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	3.8	174.3	-68.3	-171.6	61	-157.1	-9.5	114.7	S86 E90 N109 M110 K111 I115	S86-R113 VanDerWaalsContact CB-NH1 3.26Å; S86-R113 WeakPolarHBondContact OG-CD 3.2Å; S86-R113 PolarHBondContact OG-NH1 2.88Å; E90-R113 IonicContact OE2-CZ 3.73Å; E90-R113 IonicContact OE2-NH2 2.81Å; E90-R113 PolarHBondContact OE2-NH2 2.81Å; N109-R113 PolarHBondContact O-N 3.49Å; N109-R113 VanDerWaalsContact O-N 3.13Å; M110-R113 PolarHBondContact O-N 2.94Å; K111-R113 PolarHBondContact O-N 3.13Å; R113-I115 HydrophobicContact CB-CD1 3.95Å; R113-I115 HydrophobicContact CB-CG1 3.91Å; R113-I115 PolarHBondContact O-N 2.95Å
114	N	90.2	Very high	93.4	Very high	148 Å²	148	75 Å²	75	79%	0.791	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	34.1	-177.5	-57.2	-59.7	0	0	0	114.3	M110 K111 A112 D116	M110-N114 PolarHBondContact O-N 3.18Å; K111-N114 PolarHBondContact O-N 2.95Å; A112-N114 VanDerWaalsContact C-N 3.34Å; N114-D116 PolarHBondContact O-N 2.85Å
115	I	87.5	Confident	93.3	Very high	29 Å²	29	77.3 Å²	77.3	15%	0.149	37%	0.373	C	S	.	.			trans	-85.4	100.1	178.9	-57.2	173.8	0	0	0	109.4	S86 M110 R113 K117	S86-I115 WeakPolarHBondContact O-CD1 3.27Å; M110-I115 HydrophobicContact CE-CB 3.82Å; M110-I115 HydrophobicContact CE-CD1 4.33Å; M110-I115 HydrophobicContact CE-CG2 3.42Å; M110-I115 VanDerWaalsContact CE-CG2 3.42Å; M110-I115 PolarHBondContact O-N 3.29Å; M110-I115 HydrophobicContact SD-CB 4.41Å; M110-I115 HydrophobicContact SD-CD1 4Å; M110-I115 HydrophobicContact SD-CG2 4.44Å; R113-I115 HydrophobicContact CB-CD1 3.95Å; R113-I115 HydrophobicContact CB-CG1 3.91Å; R113-I115 PolarHBondContact O-N 2.95Å; I115-K117 VanDerWaalsContact C-N 3.26Å; I115-K117 HydrophobicContact CG2-CB 3.84Å; I115-K117 PolarHBondContact O-N 2.99Å; I115-K117 VanDerWaalsContact O-N 3.14Å
116	D	86.2	Confident	93.3	Very high	168 Å²	168	78.5 Å²	78.5	90%	0.898	38%	0.38	S	S	*	.			trans	-88	57.2	177	-168.6	20.9	0	0	0	112.2	N114	N114-D116 PolarHBondContact O-N 2.85Å
117	K	90.6	Very high	93.2	Very high	60 Å²	60	84.5 Å²	84.5	26%	0.261	41%	0.412	S	S	.	.			trans	-107.8	134	179.3	-166.5	172.7	179.4	-179	0	110.6	L89 L92 D93 I115 V119	L89-K117 WeakPolarHBondContact O-CD 3.46Å; L89-K117 WeakPolarHBondContact O-CE 3.38Å; L89-K117 PolarHBondContact O-NZ 2.89Å; L92-K117 PolarHBondContact O-NZ 2.99Å; D93-K117 WeakPolarHBondContact OD1-CE 3.28Å; D93-K117 IonicContact OD1-NZ 2.65Å; D93-K117 PolarHBondContact OD1-NZ 3.19Å; I115-K117 VanDerWaalsContact C-N 3.26Å; I115-K117 HydrophobicContact CG2-CB 3.84Å; I115-K117 PolarHBondContact O-N 2.99Å; I115-K117 VanDerWaalsContact O-N 3.14Å; K117-V119 PolarHBondContact O-N 3.03Å
118	K	92	Very high	93.3	Very high	208 Å²	208	80.5 Å²	80.5	90%	0.904	40%	0.397	S	S	*	.			trans	-74.4	92.4	175.4	-72.3	-173.8	-178.2	177.3	0	110.8
119	V	95.4	Very high	93.5	Very high	24 Å²	24	80.8 Å²	80.8	15%	0.145	40%	0.4	C	S	.	.			trans	-93.9	137.3	175.7	178.9	0	0	0	0	110.2	L89 V96 M110 K117 Y121	L89-V119 HydrophobicContact CD1-CG1 3.96Å; L89-V119 HydrophobicContact CD1-CG2 3.95Å; L89-V119 HydrophobicContact CD2-CG1 4.44Å; V96-V119 HydrophobicContact CG2-CG1 3.85Å; M110-V119 HydrophobicContact CE-CG2 3.96Å; K117-V119 PolarHBondContact O-N 3.03Å; V119-Y121 HydrophobicContact CB-CD2 4.32Å; V119-Y121 HydrophobicContact CB-CE1 4.22Å; V119-Y121 HydrophobicContact CB-CE2 3.63Å; V119-Y121 HydrophobicContact CG1-CD1 4.07Å; V119-Y121 HydrophobicContact CG1-CD2 4.29Å; V119-Y121 HydrophobicContact CG1-CE1 3.63Å; V119-Y121 HydrophobicContact CG1-CE2 3.88Å; V119-Y121 HydrophobicContact CG1-CG 4.4Å; V119-Y121 WeakPolarHBondContact O-CD2 3.38Å; V119-Y121 PolarHBondContact O-N 2.97Å
120	R	97.1	Very high	93.9	Very high	161 Å²	161	80.7 Å²	80.7	61%	0.608	40%	0.399	S	S	*	.			trans	-86.1	107.2	172.7	-69.4	-175.8	-66.4	-165.4	-2.6	109.4	P95 V96 Y122	P95-R120 CarbonylContact C-O 3.56Å; P95-R120 WeakPolarHBondContact CA-O 3.5Å; P95-R120 HydrophobicContact CB-CB 4.21Å; V96-R120 PolarHBondContact N-O 2.83Å; R120-Y122 HydrophobicContact CB-CE2 4.06Å
121	Y	97.7	Very high	94	Very high	53 Å²	53	88.1 Å²	88.1	21%	0.208	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129	175.1	-58.7	-78.4	0	0	0	110.6	V96 I103 I106 K107 V119	V96-Y121 HydrophobicContact CB-CD1 3.92Å; V96-Y121 HydrophobicContact CB-CE1 4.27Å; V96-Y121 HydrophobicContact CG1-CD1 4.28Å; V96-Y121 HydrophobicContact CG2-CD1 4.48Å; V96-Y121 HydrophobicContact CG2-CE1 4.38Å; V96-Y121 CarbonylContact O-C 3.51Å; V96-Y121 WeakPolarHBondContact O-CA 3.37Å; I103-Y121 HydrophobicContact CD1-CD1 3.99Å; I103-Y121 HydrophobicContact CG2-CD1 4.11Å; I103-Y121 HydrophobicContact CG2-CG 4.06Å; I106-Y121 HydrophobicContact CG2-CE1 3.8Å; K107-Y121 HydrophobicContact CG-CD2 4.36Å; K107-Y121 HydrophobicContact CG-CE1 4.48Å; K107-Y121 HydrophobicContact CG-CE2 3.98Å; V119-Y121 HydrophobicContact CB-CD2 4.32Å; V119-Y121 HydrophobicContact CB-CE1 4.22Å; V119-Y121 HydrophobicContact CB-CE2 3.63Å; V119-Y121 HydrophobicContact CG1-CD1 4.07Å; V119-Y121 HydrophobicContact CG1-CD2 4.29Å; V119-Y121 HydrophobicContact CG1-CE1 3.63Å; V119-Y121 HydrophobicContact CG1-CE2 3.88Å; V119-Y121 HydrophobicContact CG1-CG 4.4Å; V119-Y121 WeakPolarHBondContact O-CD2 3.38Å; V119-Y121 PolarHBondContact O-N 2.97Å
122	Y	98.3	Very high	94.2	Very high	99 Å²	99	82.6 Å²	82.6	39%	0.388	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.5	173.6	-65.3	-79.7	0	0	0	109.3	P95 V96 Y97 G98 R120	P95-Y122 HydrophobicContact CB-CD2 4.05Å; P95-Y122 HydrophobicContact CB-CE2 3.72Å; V96-Y122 PolarHBondContact O-N 2.81Å; Y97-Y122 WeakPolarHBondContact CA-O 3.43Å; Y97-Y122 VanDerWaalsContact CD1-CB 3.44Å; Y97-Y122 AromaticContact CD1-CD2 3.99Å; Y97-Y122 HydrophobicContact CD1-CD2 3.99Å; Y97-Y122 AromaticContact CD1-CG 3.97Å; Y97-Y122 HydrophobicContact CD1-CG 3.97Å; Y97-Y122 AromaticContact CE1-CD2 3.43Å; Y97-Y122 HydrophobicContact CE1-CD2 3.43Å; Y97-Y122 VanDerWaalsContact CE1-CD2 3.43Å; Y97-Y122 HydrophobicContact CE1-CE2 4.19Å; Y97-Y122 AromaticContact CE1-CG 3.63Å; Y97-Y122 HydrophobicContact CE1-CG 3.63Å; Y97-Y122 HydrophobicContact CE2-CD2 4.3Å; Y97-Y122 AromaticContact CZ-CD2 3.62Å; G98-Y122 PolarHBondContact N-O 2.85Å; R120-Y122 HydrophobicContact CB-CE2 4.06Å
123	T	98.3	Very high	94.6	Very high	85 Å²	85	85.6 Å²	85.6	52%	0.521	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.3	173.2	-59.8	0	0	0	0	109.6	G98 K100	G98-T123 VanDerWaalsContact O-CA 3.31Å; G98-T123 WeakPolarHBondContact O-CA 3.35Å; K100-T123 HydrophobicContact CB-CG2 3.86Å; K100-T123 HydrophobicContact CG-CG2 4.33Å
124	V	98.2	Very high	94.9	Very high	5 Å²	5	82.5 Å²	82.5	3%	0.03	39%	0.39	C	S	.	.			trans	-124	162.2	178.9	-62.6	0	0	0	0	111.1	Y97 G98 S99 M130 F139 L150	Y97-V124 HydrophobicContact CD1-CG1 4.22Å; G98-V124 PolarHBondContact O-N 2.78Å; S99-V124 WeakPolarHBondContact CA-O 3.31Å; V124-M130 HydrophobicContact CG1-CE 4.17Å; V124-M130 HydrophobicContact CG1-CG 4.22Å; V124-M130 HydrophobicContact CG1-SD 3.94Å; V124-F139 HydrophobicContact CB-CD2 4.03Å; V124-F139 HydrophobicContact CB-CE2 3.66Å; V124-F139 HydrophobicContact CB-CZ 3.98Å; V124-F139 HydrophobicContact CG1-CE2 3.78Å; V124-F139 HydrophobicContact CG1-CZ 3.99Å; V124-F139 HydrophobicContact CG2-CD1 4.28Å; V124-F139 HydrophobicContact CG2-CD2 4.23Å; V124-F139 HydrophobicContact CG2-CE1 3.92Å; V124-F139 HydrophobicContact CG2-CE2 3.88Å; V124-F139 HydrophobicContact CG2-CG 4.43Å; V124-F139 HydrophobicContact CG2-CZ 3.71Å; V124-L150 HydrophobicContact CG2-CD1 4.03Å
125	N	96.8	Very high	95.3	Very high	71 Å²	71	75.4 Å²	75.4	38%	0.38	35%	0.353	S	S	.	.			trans	-146	-178.4	175.4	64.5	1.6	0	0	0	109.9	D127 S128	N125-D127 PolarHBondContact O-N 3.04Å; N125-D127 PolarHBondContact OD1-N 3.1Å; N125-S128 PolarHBondContact N-OG 2.71Å; N125-S128 VanDerWaalsContact O-CB 3.25Å; N125-S128 WeakPolarHBondContact O-CB 3.33Å; N125-S128 PolarHBondContact O-N 3.36Å; N125-S128 PolarHBondContact OD1-N 2.9Å; N125-S128 VanDerWaalsContact OD1-N 3.09Å; N125-S128 PolarHBondContact OD1-OG 2.87Å
126	N	94.6	Very high	95.8	Very high	39 Å²	39	74.3 Å²	74.3	21%	0.209	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-29.1	177.2	59.2	-29.3	0	0	0	114.7	S128 N141 D180	N126-S128 VanDerWaalsContact C-N 3.34Å; N126-N141 WeakPolarHBondContact CB-OD1 3.44Å; N126-D180 PolarHBondContact ND2-OD2 3.26Å
127	D	94.1	Very high	96.4	Very high	128 Å²	128	66.3 Å²	66.3	68%	0.684	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.7	178.2	-60.9	-45.3	0	0	0	113.8	N125	N125-D127 PolarHBondContact O-N 3.04Å; N125-D127 PolarHBondContact OD1-N 3.1Å
128	S	97.3	Very high	96.7	Very high	22 Å²	22	63.5 Å²	63.5	15%	0.154	29%	0.292	C	S	.	.			trans	-77.3	138.1	-173.1	-67.2	0	0	0	0	112.3	N125 N126 S138	N125-S128 PolarHBondContact N-OG 2.71Å; N125-S128 VanDerWaalsContact O-CB 3.25Å; N125-S128 WeakPolarHBondContact O-CB 3.33Å; N125-S128 PolarHBondContact O-N 3.36Å; N125-S128 PolarHBondContact OD1-N 2.9Å; N125-S128 VanDerWaalsContact OD1-N 3.09Å; N125-S128 PolarHBondContact OD1-OG 2.87Å; N126-S128 VanDerWaalsContact C-N 3.34Å; S128-S138 WeakPolarHBondContact O-CA 3.04Å
129	I	97.4	Very high	97	Very high	68 Å²	68	53.6 Å²	53.6	35%	0.349	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	109.3	173.3	-59.9	163.3	0	0	0	109.5	L3 R131 N136 I137	L3-I129 HydrophobicContact CD2-CD1 3.88Å; L3-I129 HydrophobicContact CD2-CG1 4.31Å; L3-I129 HydrophobicContact CD2-CG2 3.92Å; I129-R131 HydrophobicContact CG2-CG 4.42Å; I129-N136 HydrophobicContact CG2-CB 4.1Å; I129-I137 CarbonylContact C-O 3.1Å; I129-I137 WeakPolarHBondContact CA-O 3.4Å
130	M	97.5	Very high	97.1	Very high	40 Å²	40	52.5 Å²	52.5	20%	0.197	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.7	175.9	-57.3	-58.7	93.5	0	0	110	F73 Y97 V124 F132 N136 I137 F139	F73-M130 HydrophobicContact CE1-CG 4.48Å; Y97-M130 HydrophobicContact CD1-CG 3.86Å; Y97-M130 HydrophobicContact CD1-SD 3.8Å; Y97-M130 HydrophobicContact CE1-CG 3.96Å; Y97-M130 HydrophobicContact CE1-SD 3.7Å; V124-M130 HydrophobicContact CG1-CE 4.17Å; V124-M130 HydrophobicContact CG1-CG 4.22Å; V124-M130 HydrophobicContact CG1-SD 3.94Å; M130-F132 HydrophobicContact CB-CD2 4.43Å; M130-F132 HydrophobicContact CB-CE2 3.57Å; M130-F132 HydrophobicContact CB-CZ 4.12Å; M130-N136 CarbonylContact O-C 3.53Å; M130-N136 WeakPolarHBondContact O-CA 3.32Å; M130-I137 HydrophobicContact CB-CB 4.4Å; M130-I137 PolarHBondContact N-O 2.97Å; M130-I137 PolarHBondContact O-N 2.78Å; M130-F139 HydrophobicContact CG-CE2 4.13Å; M130-F139 HydrophobicContact CG-CZ 4.34Å
131	R	96.6	Very high	97.2	Very high	162 Å²	162	46 Å²	46	61%	0.611	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	113.9	-172	-58.8	-170.2	175.5	-134.6	-1.2	110.9	I129 N136	I129-R131 HydrophobicContact CG2-CG 4.42Å; R131-N136 WeakPolarHBondContact CA-OD1 3.33Å; R131-N136 WeakPolarHBondContact CG-OD1 3.44Å
132	F	96.6	Very high	97.2	Very high	25 Å²	25	43.6 Å²	43.6	11%	0.11	21%	0.21	C	C	.	.			trans	-109	177.7	177.8	-64.2	-79.5	0	0	0	111.5	K5 E34 F36 K70 F73 Y97 M130 N134 V135 I137	K5-F132 WeakPolarHBondContact CD-O 3.3Å; K5-F132 WeakPolarHBondContact CE-O 3.37Å; K5-F132 PolarHBondContact NZ-O 3.36Å; E34-F132 WeakPolarHBondContact OE2-CB 3.49Å; F36-F132 HydrophobicContact CE1-CB 4.27Å; F36-F132 AromaticContact CE1-CD1 3.97Å; F36-F132 HydrophobicContact CE1-CD1 3.97Å; F36-F132 AromaticContact CE1-CD2 3.75Å; F36-F132 HydrophobicContact CE1-CD2 3.75Å; F36-F132 HydrophobicContact CE1-CE1 4.29Å; F36-F132 HydrophobicContact CE1-CE2 4.09Å; F36-F132 AromaticContact CE1-CG 3.7Å; F36-F132 HydrophobicContact CE1-CG 3.7Å; F36-F132 HydrophobicContact CE1-CZ 4.36Å; F36-F132 HydrophobicContact CZ-CB 4.17Å; F36-F132 HydrophobicContact CZ-CD2 4.27Å; F36-F132 HydrophobicContact CZ-CG 4.1Å; K70-F132 HydrophobicContact CB-CD1 3.8Å; K70-F132 HydrophobicContact CB-CE1 3.81Å; K70-F132 HydrophobicContact CG-CD1 4.29Å; F73-F132 HydrophobicContact CE1-CE2 4.27Å; F73-F132 HydrophobicContact CE1-CZ 4.4Å; F73-F132 AromaticContact CZ-CE2 3.67Å; F73-F132 HydrophobicContact CZ-CE2 3.67Å; F73-F132 AromaticContact CZ-CZ 3.59Å; F73-F132 HydrophobicContact CZ-CZ 3.59Å; Y97-F132 HydrophobicContact CE2-CZ 4.25Å; Y97-F132 AromaticContact CZ-CZ 3.95Å; M130-F132 HydrophobicContact CB-CD2 4.43Å; M130-F132 HydrophobicContact CB-CE2 3.57Å; M130-F132 HydrophobicContact CB-CZ 4.12Å; F132-N134 PolarHBondContact O-N 3.34Å; F132-V135 CarbonylContact C-O 3.16Å; F132-V135 WeakPolarHBondContact CA-O 3.39Å; F132-V135 HydrophobicContact CB-CG2 4.33Å; F132-V135 WeakPolarHBondContact CB-O 3.23Å; F132-V135 PolarHBondContact N-O 2.85Å; F132-I137 HydrophobicContact CD2-CD1 4.01Å; F132-I137 HydrophobicContact CD2-CG1 4.11Å; F132-I137 HydrophobicContact CE2-CB 4.36Å; F132-I137 HydrophobicContact CE2-CD1 3.79Å; F132-I137 HydrophobicContact CE2-CG1 4.11Å
133	K	95.6	Very high	97.1	Very high	136 Å²	136	38.9 Å²	38.9	59%	0.591	19%	0.192	S	C	*	.	S	Bend	trans	-62.9	-44.7	-175.6	-177.6	-172.6	167.9	-169.6	0	111.5	D33 E34	D33-K133 IonicContact OD1-NZ 3.97Å; D33-K133 PolarHBondContact OD1-NZ 3.02Å; D33-K133 IonicContact OD2-NZ 2.99Å; D33-K133 PolarHBondContact OD2-NZ 2.85Å; E34-K133 WeakPolarHBondContact OE1-CB 3.38Å; E34-K133 PolarHBondContact OE1-N 2.87Å; E34-K133 PolarHBondContact OE2-N 3.07Å
134	N	95.6	Very high	97	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.167	C	C	.	.	S	Bend	trans	-104	-27.4	-168.6	-57.7	-30.7	0	0	0	113.2	K6 N8 V31 D33 E34 F132	K6-N134 VanDerWaalsContact CE-OD1 3.26Å; K6-N134 WeakPolarHBondContact CE-OD1 3.41Å; K6-N134 PolarHBondContact NZ-OD1 2.57Å; N8-N134 PolarHBondContact ND2-O 2.59Å; V31-N134 PolarHBondContact O-ND2 2.82Å; D33-N134 PolarHBondContact OD1-ND2 3.48Å; E34-N134 WeakPolarHBondContact CG-ND2 3.25Å; E34-N134 VanDerWaalsContact OE2-CB 3.28Å; E34-N134 WeakPolarHBondContact OE2-CB 3.34Å; E34-N134 PolarHBondContact OE2-N 2.99Å; F132-N134 PolarHBondContact O-N 3.34Å
135	V	97.6	Very high	96.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.166	C	C	.	.			trans	-137.9	164.7	-174	-63.6	0	0	0	0	111.7	V31 F36 F132 I154 H155 T156	V31-V135 HydrophobicContact CB-CG1 4.01Å; V31-V135 HydrophobicContact CG1-CG1 3.63Å; V31-V135 HydrophobicContact CG2-CG1 4.25Å; F36-V135 HydrophobicContact CE1-CG2 4.36Å; F36-V135 HydrophobicContact CE2-CG2 3.5Å; F36-V135 VanDerWaalsContact CE2-CG2 3.5Å; F36-V135 HydrophobicContact CZ-CG2 3.33Å; F132-V135 CarbonylContact C-O 3.16Å; F132-V135 WeakPolarHBondContact CA-O 3.39Å; F132-V135 HydrophobicContact CB-CG2 4.33Å; F132-V135 WeakPolarHBondContact CB-O 3.23Å; F132-V135 PolarHBondContact N-O 2.85Å; V135-I154 HydrophobicContact CB-CG2 4.09Å; V135-I154 HydrophobicContact CG1-CG2 4.2Å; V135-I154 HydrophobicContact CG2-CG2 3.9Å; V135-H155 WeakPolarHBondContact CB-O 3.46Å; V135-H155 WeakPolarHBondContact CG1-O 3.44Å; V135-T156 HydrophobicContact CG1-CG2 4.46Å
136	N	97.9	Very high	96.8	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.027	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	149.1	161	-67.1	-49.9	0	0	0	108.5	L3 K5 I129 M130 R131 H155	L3-N136 HydrophobicContact CD2-CB 4.42Å; L3-N136 PolarHBondContact O-ND2 3.02Å; K5-N136 WeakPolarHBondContact CE-OD1 3.32Å; I129-N136 HydrophobicContact CG2-CB 4.1Å; M130-N136 CarbonylContact O-C 3.53Å; M130-N136 WeakPolarHBondContact O-CA 3.32Å; R131-N136 WeakPolarHBondContact CA-OD1 3.33Å; R131-N136 WeakPolarHBondContact CG-OD1 3.44Å; N136-H155 WeakPolarHBondContact O-CB 3.48Å; N136-H155 PolarHBondContact O-CD2 3.47Å; N136-H155 PolarHBondContact O-N 3.33Å
137	I	98.5	Very high	96.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.9	175.3	-61	-179.7	0	0	0	108.6	F36 F73 I129 M130 F132 F139 V152 C153 I154	F36-I137 HydrophobicContact CD1-CD1 3.5Å; F36-I137 HydrophobicContact CD2-CD1 4.42Å; F36-I137 HydrophobicContact CE1-CD1 3.71Å; F36-I137 HydrophobicContact CG-CD1 3.88Å; F36-I137 HydrophobicContact CZ-CD1 4.28Å; F73-I137 HydrophobicContact CD1-CD1 4.43Å; F73-I137 HydrophobicContact CD1-CG2 4.04Å; F73-I137 HydrophobicContact CD2-CD1 4.46Å; F73-I137 HydrophobicContact CE1-CB 4.23Å; F73-I137 HydrophobicContact CE1-CD1 3.77Å; F73-I137 HydrophobicContact CE1-CG2 3.87Å; F73-I137 HydrophobicContact CE2-CD1 3.86Å; F73-I137 HydrophobicContact CZ-CD1 3.46Å; F73-I137 VanDerWaalsContact CZ-CD1 3.46Å; I129-I137 CarbonylContact C-O 3.1Å; I129-I137 WeakPolarHBondContact CA-O 3.4Å; M130-I137 HydrophobicContact CB-CB 4.4Å; M130-I137 PolarHBondContact N-O 2.97Å; M130-I137 PolarHBondContact O-N 2.78Å; F132-I137 HydrophobicContact CD2-CD1 4.01Å; F132-I137 HydrophobicContact CD2-CG1 4.11Å; F132-I137 HydrophobicContact CE2-CB 4.36Å; F132-I137 HydrophobicContact CE2-CD1 3.79Å; F132-I137 HydrophobicContact CE2-CG1 4.11Å; I137-F139 HydrophobicContact CG2-CE1 4.3Å; I137-F139 HydrophobicContact CG2-CZ 4.02Å; I137-V152 HydrophobicContact CG2-CG1 3.66Å; I137-C153 CarbonylContact C-O 3.29Å; I137-C153 VanDerWaalsContact CA-O 3.25Å; I137-C153 WeakPolarHBondContact CA-O 3.07Å; I137-I154 HydrophobicContact CD1-CG1 4.09Å; I137-I154 HydrophobicContact CG1-CB 4.45Å; I137-I154 HydrophobicContact CG1-CG1 4.1Å; I137-I154 HydrophobicContact CG1-CG2 4.31Å
138	S	98.3	Very high	96.9	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	176.7	172.2	76.5	0	0	0	0	110.8	S128 C153 H155	S128-S138 WeakPolarHBondContact O-CA 3.04Å; S138-C153 PolarHBondContact N-O 3Å; S138-C153 PolarHBondContact O-N 2.97Å; S138-H155 PolarHBondContact OG-NE2 3.19Å
139	F	98.4	Very high	96.9	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	167.4	-176.8	-50.1	-89.7	0	0	0	110.9	F73 V124 M130 I137 L150 G151 V152	F73-F139 AromaticContact CD1-CE1 4Å; F73-F139 HydrophobicContact CD1-CE1 4Å; F73-F139 AromaticContact CD1-CZ 3.87Å; F73-F139 HydrophobicContact CD1-CZ 3.87Å; F73-F139 HydrophobicContact CE1-CZ 4.19Å; V124-F139 HydrophobicContact CB-CD2 4.03Å; V124-F139 HydrophobicContact CB-CE2 3.66Å; V124-F139 HydrophobicContact CB-CZ 3.98Å; V124-F139 HydrophobicContact CG1-CE2 3.78Å; V124-F139 HydrophobicContact CG1-CZ 3.99Å; V124-F139 HydrophobicContact CG2-CD1 4.28Å; V124-F139 HydrophobicContact CG2-CD2 4.23Å; V124-F139 HydrophobicContact CG2-CE1 3.92Å; V124-F139 HydrophobicContact CG2-CE2 3.88Å; V124-F139 HydrophobicContact CG2-CG 4.43Å; V124-F139 HydrophobicContact CG2-CZ 3.71Å; M130-F139 HydrophobicContact CG-CE2 4.13Å; M130-F139 HydrophobicContact CG-CZ 4.34Å; I137-F139 HydrophobicContact CG2-CE1 4.3Å; I137-F139 HydrophobicContact CG2-CZ 4.02Å; F139-L150 HydrophobicContact CB-CD1 4.5Å; F139-L150 HydrophobicContact CB-CD2 4.3Å; F139-L150 HydrophobicContact CD1-CD1 4.32Å; F139-L150 HydrophobicContact CG-CD1 4.49Å; F139-G151 VanDerWaalsContact CA-O 3.24Å; F139-G151 WeakPolarHBondContact CA-O 3.38Å; F139-V152 HydrophobicContact CD1-CG2 4.08Å; F139-V152 HydrophobicContact CE1-CG1 4.25Å; F139-V152 HydrophobicContact CE1-CG2 4.1Å
140	F	97.9	Very high	96.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	147	169	60.1	-84.8	0	0	0	109.1	T142 L150 G151 C153 V162 R183 M184 I187 M383	F140-T142 HydrophobicContact CD2-CG2 3.99Å; F140-T142 HydrophobicContact CE2-CG2 3.59Å; F140-L150 CarbonylContact O-C 3.59Å; F140-L150 WeakPolarHBondContact O-CA 3.47Å; F140-G151 PolarHBondContact N-O 2.89Å; F140-G151 PolarHBondContact O-N 3.37Å; F140-C153 VanDerWaalsContact CD1-SG 3.51Å; F140-C153 VanDerWaalsContact CE1-SG 3.56Å; F140-V162 HydrophobicContact CE1-CG1 3.77Å; F140-V162 HydrophobicContact CZ-CG1 3.9Å; F140-R183 HydrophobicContact CB-CB 4.28Å; F140-R183 HydrophobicContact CB-CG 3.8Å; F140-M184 HydrophobicContact CD2-CE 3.71Å; F140-M184 HydrophobicContact CD2-CG 3.64Å; F140-M184 HydrophobicContact CD2-SD 4.44Å; F140-M184 HydrophobicContact CE2-CE 3.91Å; F140-M184 HydrophobicContact CE2-CG 3.98Å; F140-M184 HydrophobicContact CE2-SD 4.48Å; F140-M184 HydrophobicContact CG-CG 4.34Å; F140-I187 HydrophobicContact CB-CD1 4.13Å; F140-I187 HydrophobicContact CD1-CD1 3.68Å; F140-I187 HydrophobicContact CE1-CD1 4.38Å; F140-I187 HydrophobicContact CG-CD1 4.1Å; F140-M383 HydrophobicContact CE1-CE 4.2Å; F140-M383 HydrophobicContact CE2-CE 3.89Å; F140-M383 HydrophobicContact CZ-CE 3.67Å
141	N	97.5	Very high	97	Very high	26 Å²	26	18.4 Å²	18.4	14%	0.139	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	138.2	179.9	-73.5	18.5	0	0	0	111	N126 S149 L150 D180 M184	N126-N141 WeakPolarHBondContact CB-OD1 3.44Å; N141-S149 WeakPolarHBondContact CA-O 3.4Å; N141-L150 VanDerWaalsContact OD1-CD2 3.3Å; N141-L150 WeakPolarHBondContact OD1-CD2 3.32Å; N141-D180 HydrophobicContact CB-CB 4.12Å; N141-D180 PolarHBondContact O-N 3.04Å; N141-M184 WeakPolarHBondContact O-CE 3.39Å
142	T	97.6	Very high	97.1	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.012	5%	0.05	C	C	.	.			trans	-114.5	160.4	168.1	57.8	0	0	0	0	110.4	F140 S149 F167 M184	F140-T142 HydrophobicContact CD2-CG2 3.99Å; F140-T142 HydrophobicContact CE2-CG2 3.59Å; T142-S149 PolarHBondContact N-O 2.7Å; T142-S149 WeakPolarHBondContact OG1-CB 3.46Å; T142-S149 PolarHBondContact OG1-OG 3.16Å; T142-F167 HydrophobicContact CG2-CB 4.09Å; T142-M184 HydrophobicContact CG2-CE 4.12Å
143	T	97.5	Very high	97.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.045	C	C	.	.	B	Isolated β-bridge	trans	-90.2	128.9	168.6	-62.1	0	0	0	0	109	F167 K168 D170 L173 Y177 P179	T143-F167 CarbonylContact O-C 3.59Å; T143-F167 VanDerWaalsContact O-CA 3.26Å; T143-F167 WeakPolarHBondContact O-CA 3.5Å; T143-K168 WeakPolarHBondContact CB-O 3.18Å; T143-K168 HydrophobicContact CG2-CG 3.94Å; T143-K168 PolarHBondContact O-N 2.98Å; T143-D170 HydrophobicContact CG2-CB 4.11Å; T143-L173 HydrophobicContact CG2-CD1 3.51Å; T143-Y177 WeakPolarHBondContact CA-O 3.47Å; T143-Y177 WeakPolarHBondContact CB-O 3.47Å; T143-Y177 PolarHBondContact OG1-O 3.33Å; T143-P179 WeakPolarHBondContact OG1-CD 3.46Å; T143-P179 WeakPolarHBondContact OG1-CG 3.43Å
144	H	95.8	Very high	97.3	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.017	C	C	.	.			trans	-146.4	-179.3	171.6	-163.5	19.2	0	0	0	109.7	H76 H78 I146 E166 I239 S369	H76-H144 AromaticContact CD2-CD2 3.46Å; H76-H144 PolarHBondContact CD2-CD2 2.94Å; H76-H144 VanDerWaalsContact CD2-CD2 3.46Å; H76-H144 AromaticContact CD2-NE2 3.88Å; H76-H144 AromaticContact NE2-CD2 3.63Å; H76-H144 AromaticContact NE2-NE2 3.6Å; H78-H144 AromaticContact CE1-CD2 3.9Å; H78-H144 AromaticContact CE1-CE1 3.96Å; H78-H144 AromaticContact CE1-NE2 3.4Å; H78-H144 PolarHBondContact CE1-NE2 3.1Å; H78-H144 AromaticContact ND1-NE2 3.56Å; H144-I146 PolarHBondContact O-N 2.77Å; H144-E166 IonicContact CD2-OE2 2.75Å; H144-E166 IonicContact CE1-OE2 2.7Å; H144-E166 PolarHBondContact CE1-OE2 2.8Å; H144-E166 WeakPolarHBondContact NE2-CB 3.38Å; H144-E166 IonicContact NE2-OE2 3.98Å; H144-E166 PolarHBondContact NE2-OE2 2.75Å; H144-I239 VanDerWaalsContact O-CD1 3.28Å; H144-I239 WeakPolarHBondContact O-CD1 3.36Å; H144-S369 WeakPolarHBondContact CE1-CB 3.36Å; H144-S369 WeakPolarHBondContact ND1-CB 3.44Å; H144-S369 PolarHBondContact ND1-O 2.79Å
145	S	94.9	Very high	97.4	Very high	2 Å²	2	3.5 Å²	3.5	1%	0.014	2%	0.019	C	C	.	.	S	Bend	trans	-72.5	-5.1	179.4	57.8	0	0	0	0	115	H78 N237 F238 I239 S369	H78-S145 PolarHBondContact CE1-OG 3.43Å; H78-S145 PolarHBondContact NE2-OG 2.95Å; S145-N237 CarbonylContact O-C 3.59Å; S145-F238 PolarHBondContact O-N 2.74Å; S145-I239 PolarHBondContact O-N 3.45Å; S145-S369 VanDerWaalsContact CB-OG 3.26Å; S145-S369 WeakPolarHBondContact CB-OG 3.4Å; S145-S369 PolarHBondContact OG-OG 2.92Å
146	I	95.5	Very high	97.4	Very high	2 Å²	2	3.6 Å²	3.6	1%	0.01	2%	0.019	C	C	.	.	S	Bend	trans	-124.2	143.8	176.1	-164.2	167.7	0	0	0	110.3	H76 L101 L105 H144 F238	H76-I146 HydrophobicContact CB-CG2 3.88Å; L101-I146 HydrophobicContact CD2-CD1 4.14Å; L101-I146 HydrophobicContact CD2-CG1 3.78Å; L105-I146 HydrophobicContact CD1-CD1 4Å; H144-I146 PolarHBondContact O-N 2.77Å; I146-F238 HydrophobicContact CD1-CE2 4.49Å; I146-F238 HydrophobicContact CD1-CZ 4.37Å; I146-F238 HydrophobicContact CG1-CD2 4.2Å; I146-F238 HydrophobicContact CG1-CE2 4.25Å; I146-F238 HydrophobicContact CG1-CG 4.35Å
147	P	95.1	Very high	97.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.03	C	C	.	.	S	Bend	trans	-67.9	163.5	-179.8	0.6	4.2	0	0	0	112.9	L101 S149 H176 Y177 F238 Y274	L101-P147 HydrophobicContact CD2-CB 4.3Å; L101-P147 HydrophobicContact CD2-CG 3.82Å; P147-S149 PolarHBondContact O-N 2.78Å; P147-H176 HydrophobicContact CB-CB 3.71Å; P147-Y177 HydrophobicContact CB-CD1 4.47Å; P147-Y177 HydrophobicContact CB-CE1 4.02Å; P147-Y177 HydrophobicContact CB-CE2 4.24Å; P147-Y177 WeakPolarHBondContact CD-OH 3.31Å; P147-Y177 HydrophobicContact CG-CE1 3.88Å; P147-Y177 HydrophobicContact CG-CE2 4.16Å; P147-Y177 WeakPolarHBondContact CG-OH 3.32Å; P147-Y177 VanDerWaalsContact N-CE1 3.32Å; P147-F238 VanDerWaalsContact CD-CD2 3.41Å; P147-F238 HydrophobicContact CG-CD2 3.83Å; P147-Y274 HydrophobicContact CB-CD1 3.66Å; P147-Y274 HydrophobicContact CB-CE1 4.02Å; P147-Y274 HydrophobicContact CB-CG 4.41Å; P147-Y274 HydrophobicContact CG-CD1 3.78Å; P147-Y274 HydrophobicContact CG-CE1 4.49Å; P147-Y274 HydrophobicContact CG-CG 4.04Å
148	D	95.2	Very high	97.1	Very high	21 Å²	21	8 Å²	8	11%	0.112	4%	0.042	C	C	.	.	S	Bend	trans	54.3	40.1	177.8	-64	-10	0	0	0	112.9	S99 H176 Y274	S99-D148 VanDerWaalsContact CB-O 3.32Å; S99-D148 WeakPolarHBondContact CB-O 3.28Å; S99-D148 WeakPolarHBondContact OG-CB 3.45Å; S99-D148 PolarHBondContact OG-O 2.9Å; D148-H176 PolarHBondContact N-O 3.44Å; D148-H176 IonicContact OD1-CE1 2.67Å; D148-H176 IonicContact OD1-CG 2.7Å; D148-H176 IonicContact OD1-ND1 3.12Å; D148-H176 PolarHBondContact OD1-ND1 2.96Å; D148-Y274 WeakPolarHBondContact OD2-CE1 3.34Å; D148-Y274 VanDerWaalsContact OD2-CZ 3.3Å; D148-Y274 PolarHBondContact OD2-OH 3.12Å
149	S	97.6	Very high	97	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.007	5%	0.047	C	C	.	.			trans	-73.9	134.6	169.2	-166.2	0	0	0	0	110.2	N141 T142 P147	N141-S149 WeakPolarHBondContact CA-O 3.4Å; T142-S149 PolarHBondContact N-O 2.7Å; T142-S149 WeakPolarHBondContact OG1-CB 3.46Å; T142-S149 PolarHBondContact OG1-OG 3.16Å; P147-S149 PolarHBondContact O-N 2.78Å
150	L	98.4	Very high	97	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.01	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.5	-173.8	-62.9	173.5	0	0	0	111.1	T75 V124 F139 F140 N141	T75-L150 WeakPolarHBondContact CA-O 3.38Å; T75-L150 WeakPolarHBondContact CB-O 3.26Å; T75-L150 WeakPolarHBondContact CG2-O 3.45Å; T75-L150 PolarHBondContact O-N 3.32Å; V124-L150 HydrophobicContact CG2-CD1 4.03Å; F139-L150 HydrophobicContact CB-CD1 4.5Å; F139-L150 HydrophobicContact CB-CD2 4.3Å; F139-L150 HydrophobicContact CD1-CD1 4.32Å; F139-L150 HydrophobicContact CG-CD1 4.49Å; F140-L150 CarbonylContact O-C 3.59Å; F140-L150 WeakPolarHBondContact O-CA 3.47Å; N141-L150 VanDerWaalsContact OD1-CD2 3.3Å; N141-L150 WeakPolarHBondContact OD1-CD2 3.32Å
151	G	98.5	Very high	97.1	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	154.9	154.5	0	0	0	0	0	111.4	F139 F140 Y163	F139-G151 VanDerWaalsContact CA-O 3.24Å; F139-G151 WeakPolarHBondContact CA-O 3.38Å; F140-G151 PolarHBondContact N-O 2.89Å; F140-G151 PolarHBondContact O-N 3.37Å; G151-Y163 CarbonylContact C-O 3.27Å; G151-Y163 VanDerWaalsContact CA-O 3.29Å; G151-Y163 WeakPolarHBondContact CA-O 3.42Å
152	V	98.8	Very high	97.1	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.006	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.8	-177.2	-175.5	0	0	0	0	109.7	L38 F73 T75 I137 F139 V162 Y163	L38-V152 HydrophobicContact CD2-CB 4.3Å; L38-V152 HydrophobicContact CD2-CG1 3.93Å; F73-V152 HydrophobicContact CB-CG1 4.41Å; F73-V152 HydrophobicContact CB-CG2 4.37Å; T75-V152 HydrophobicContact CG2-CG2 4.18Å; I137-V152 HydrophobicContact CG2-CG1 3.66Å; F139-V152 HydrophobicContact CD1-CG2 4.08Å; F139-V152 HydrophobicContact CE1-CG1 4.25Å; F139-V152 HydrophobicContact CE1-CG2 4.1Å; V152-V162 WeakPolarHBondContact O-CA 3.5Å; V152-Y163 PolarHBondContact N-O 3.33Å; V152-Y163 PolarHBondContact O-N 3.07Å
153	C	98.6	Very high	97.2	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115.5	177.9	-55.4	0	0	0	0	110.7	I137 S138 F140 H155 A160 I187	I137-C153 CarbonylContact C-O 3.29Å; I137-C153 VanDerWaalsContact CA-O 3.25Å; I137-C153 WeakPolarHBondContact CA-O 3.07Å; S138-C153 PolarHBondContact N-O 3Å; S138-C153 PolarHBondContact O-N 2.97Å; F140-C153 VanDerWaalsContact CD1-SG 3.51Å; F140-C153 VanDerWaalsContact CE1-SG 3.56Å; C153-H155 PolarHBondContact O-CD2 2.85Å; C153-A160 HydrophobicContact CB-CB 4.46Å; C153-I187 VanDerWaalsContact SG-CD1 3.55Å
154	I	98.6	Very high	97.2	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	107.8	173.4	-52.1	177.3	0	0	0	108.2	V29 V31 F36 L38 V135 I137 T156 A160 I161	V29-I154 HydrophobicContact CB-CD1 3.74Å; V29-I154 HydrophobicContact CG1-CD1 3.77Å; V29-I154 HydrophobicContact CG2-CD1 4.11Å; V31-I154 HydrophobicContact CG2-CG2 4.26Å; F36-I154 HydrophobicContact CB-CD1 4.15Å; F36-I154 HydrophobicContact CD2-CD1 4.14Å; F36-I154 HydrophobicContact CD2-CG2 4.48Å; F36-I154 HydrophobicContact CE2-CG2 4.48Å; F36-I154 HydrophobicContact CG-CD1 4.35Å; L38-I154 HydrophobicContact CD2-CD1 4.41Å; V135-I154 HydrophobicContact CB-CG2 4.09Å; V135-I154 HydrophobicContact CG1-CG2 4.2Å; V135-I154 HydrophobicContact CG2-CG2 3.9Å; I137-I154 HydrophobicContact CD1-CG1 4.09Å; I137-I154 HydrophobicContact CG1-CB 4.45Å; I137-I154 HydrophobicContact CG1-CG1 4.1Å; I137-I154 HydrophobicContact CG1-CG2 4.31Å; I154-T156 PolarHBondContact O-N 2.96Å; I154-A160 WeakPolarHBondContact O-CA 3.23Å; I154-I161 HydrophobicContact CB-CB 4.31Å; I154-I161 PolarHBondContact N-O 3.47Å; I154-I161 PolarHBondContact O-N 3.49Å
155	H	98.1	Very high	97.3	Very high	9 Å²	9	7.6 Å²	7.6	4%	0.042	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	109.5	-173.3	-66.2	-83	0	0	0	111.4	L3 V135 N136 S138 C153	L3-H155 HydrophobicContact CB-CB 3.93Å; L3-H155 VanDerWaalsContact CD1-CE1 3.42Å; L3-H155 WeakPolarHBondContact CD1-CE1 3.17Å; V135-H155 WeakPolarHBondContact CB-O 3.46Å; V135-H155 WeakPolarHBondContact CG1-O 3.44Å; N136-H155 WeakPolarHBondContact O-CB 3.48Å; N136-H155 PolarHBondContact O-CD2 3.47Å; N136-H155 PolarHBondContact O-N 3.33Å; S138-H155 PolarHBondContact OG-NE2 3.19Å; C153-H155 PolarHBondContact O-CD2 2.85Å
156	T	96.7	Very high	97.4	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.006	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	172.2	177.7	83.6	0	0	0	0	111.4	N8 I11 V31 V135 I154 Y158 G159 I161	N8-T156 WeakPolarHBondContact OD1-CA 3.42Å; N8-T156 WeakPolarHBondContact OD1-CB 3.45Å; I11-T156 HydrophobicContact CD1-CG2 4.07Å; V31-T156 HydrophobicContact CG2-CG2 4.3Å; V135-T156 HydrophobicContact CG1-CG2 4.46Å; I154-T156 PolarHBondContact O-N 2.96Å; T156-Y158 PolarHBondContact O-N 2.94Å; T156-Y158 PolarHBondContact OG1-N 2.92Å; T156-Y158 VanDerWaalsContact OG1-N 3.14Å; T156-G159 PolarHBondContact N-O 2.95Å; T156-G159 PolarHBondContact O-N 3.06Å; T156-G159 PolarHBondContact OG1-O 3.16Å; T156-I161 HydrophobicContact CG2-CD1 3.95Å; T156-I161 HydrophobicContact CG2-CG1 4.19Å
157	S	95.2	Very high	97.5	Very high	37 Å²	37	7.5 Å²	7.5	26%	0.259	4%	0.042	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.4	173.1	56.3	0	0	0	0	115.7	K6 N8	K6-S157 WeakPolarHBondContact O-CB 3.45Å; N8-S157 PolarHBondContact N-OG 3.09Å; N8-S157 PolarHBondContact OD1-N 2.95Å
158	Y	95.2	Very high	97.6	Very high	62 Å²	62	7.6 Å²	7.6	24%	0.243	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-2.1	-179.9	-55.3	-77	0	0	0	112.7	N8 I11 T156 Y426	N8-Y158 HydrophobicContact CB-CE2 4.3Å; N8-Y158 WeakPolarHBondContact O-CE2 3.49Å; N8-Y158 PolarHBondContact O-OH 2.77Å; I11-Y158 HydrophobicContact CD1-CD2 3.73Å; I11-Y158 HydrophobicContact CD1-CE2 4.21Å; T156-Y158 PolarHBondContact O-N 2.94Å; T156-Y158 PolarHBondContact OG1-N 2.92Å; T156-Y158 VanDerWaalsContact OG1-N 3.14Å; Y158-Y426 HydrophobicContact CD1-CE1 4.37Å; Y158-Y426 HydrophobicContact CD2-CE1 4.29Å; Y158-Y426 AromaticContact CE1-CE1 3.75Å; Y158-Y426 HydrophobicContact CE1-CE1 3.75Å; Y158-Y426 AromaticContact CE1-CZ 3.82Å; Y158-Y426 WeakPolarHBondContact CE1-OH 3.38Å; Y158-Y426 HydrophobicContact CE2-CD1 4.1Å; Y158-Y426 AromaticContact CE2-CE1 3.66Å; Y158-Y426 HydrophobicContact CE2-CE1 3.66Å; Y158-Y426 AromaticContact CZ-CE1 3.36Å; Y158-Y426 AromaticContact CZ-CZ 3.94Å
159	G	96.4	Very high	97.7	Very high	11 Å²	11	7.5 Å²	7.5	11%	0.113	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	120.2	174.4	-168.7	0	0	0	0	0	111.4	T156 G191	T156-G159 PolarHBondContact N-O 2.95Å; T156-G159 PolarHBondContact O-N 3.06Å; T156-G159 PolarHBondContact OG1-O 3.16Å; G159-G191 CarbonylContact C-O 3.54Å; G159-G191 VanDerWaalsContact CA-O 3.23Å; G159-G191 WeakPolarHBondContact CA-O 3.32Å
160	A	98	Very high	97.6	Very high	4 Å²	4	7.6 Å²	7.6	3%	0.033	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	137	178	0	0	0	0	0	111.2	C153 I154 V162 I187 G191 V192 F193 V194	C153-A160 HydrophobicContact CB-CB 4.46Å; I154-A160 WeakPolarHBondContact O-CA 3.23Å; A160-V162 HydrophobicContact CB-CG2 3.83Å; A160-I187 HydrophobicContact CB-CG2 4.45Å; A160-G191 PolarHBondContact N-O 2.9Å; A160-V192 CarbonylContact O-C 3.56Å; A160-F193 PolarHBondContact O-N 2.82Å; A160-V194 PolarHBondContact O-N 3.06Å
161	I	98.8	Very high	97.3	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.01	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	114	157.9	-60.1	167.9	0	0	0	105.7	I11 I13 V29 I154 T156 F193 V194 I196	I11-I161 HydrophobicContact CG2-CD1 3.62Å; I13-I161 HydrophobicContact CD1-CG2 4.26Å; V29-I161 HydrophobicContact CG1-CD1 3.74Å; V29-I161 HydrophobicContact CG1-CG2 4.43Å; V29-I161 HydrophobicContact CG2-CG2 4.41Å; I154-I161 HydrophobicContact CB-CB 4.31Å; I154-I161 PolarHBondContact N-O 3.47Å; I154-I161 PolarHBondContact O-N 3.49Å; T156-I161 HydrophobicContact CG2-CD1 3.95Å; T156-I161 HydrophobicContact CG2-CG1 4.19Å; I161-F193 HydrophobicContact CG1-CD1 4.45Å; I161-V194 WeakPolarHBondContact CA-O 3.4Å; I161-V194 HydrophobicContact CG1-CB 4.39Å; I161-V194 HydrophobicContact CG1-CG2 4.36Å; I161-V194 HydrophobicContact CG2-CB 4.28Å; I161-I196 HydrophobicContact CG2-CD1 4.12Å
162	V	98.9	Very high	97.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.6	-174.3	178.9	0	0	0	0	109.2	F140 V152 A160 I187 V192 V194 L195 I196 M383	F140-V162 HydrophobicContact CE1-CG1 3.77Å; F140-V162 HydrophobicContact CZ-CG1 3.9Å; V152-V162 WeakPolarHBondContact O-CA 3.5Å; A160-V162 HydrophobicContact CB-CG2 3.83Å; V162-I187 HydrophobicContact CG2-CG2 3.94Å; V162-V192 HydrophobicContact CB-CG1 4.24Å; V162-V192 HydrophobicContact CG2-CB 4.5Å; V162-V192 HydrophobicContact CG2-CG1 3.85Å; V162-V192 HydrophobicContact CG2-CG2 3.9Å; V162-V194 PolarHBondContact N-O 2.92Å; V162-L195 HydrophobicContact CB-CD1 3.9Å; V162-L195 HydrophobicContact CG1-CD1 3.72Å; V162-I196 PolarHBondContact O-N 2.88Å; V162-M383 HydrophobicContact CG1-CE 4.25Å; V162-M383 HydrophobicContact CG1-SD 4.39Å
163	Y	98.9	Very high	96.9	Very high	2 Å²	2	16 Å²	16	1%	0.008	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.9	165.7	174.4	-136.1	0	0	0	109.1	Y27 L38 D39 T75 G151 V152 G165 I196 V391	Y27-Y163 HydrophobicContact CD2-CE1 4.23Å; Y27-Y163 HydrophobicContact CD2-CE2 4.05Å; Y27-Y163 AromaticContact CD2-CZ 3.87Å; Y27-Y163 HydrophobicContact CE2-CE1 4.37Å; Y27-Y163 AromaticContact CE2-CE2 3.77Å; Y27-Y163 HydrophobicContact CE2-CE2 3.77Å; Y27-Y163 AromaticContact CE2-CZ 3.6Å; Y27-Y163 WeakPolarHBondContact CE2-OH 3.44Å; L38-Y163 HydrophobicContact CB-CD1 3.76Å; L38-Y163 HydrophobicContact CB-CE1 4.09Å; L38-Y163 HydrophobicContact CD1-CD1 3.9Å; L38-Y163 HydrophobicContact CD1-CG 3.9Å; L38-Y163 HydrophobicContact CG-CD1 4.31Å; D39-Y163 WeakPolarHBondContact OD2-CE1 3.39Å; D39-Y163 PolarHBondContact OD2-OH 2.7Å; D39-Y163 VanDerWaalsContact OD2-OH 3.12Å; T75-Y163 HydrophobicContact CG2-CD1 3.57Å; T75-Y163 HydrophobicContact CG2-CE1 3.28Å; G151-Y163 CarbonylContact C-O 3.27Å; G151-Y163 VanDerWaalsContact CA-O 3.29Å; G151-Y163 WeakPolarHBondContact CA-O 3.42Å; V152-Y163 PolarHBondContact N-O 3.33Å; V152-Y163 PolarHBondContact O-N 3.07Å; Y163-G165 PolarHBondContact O-N 3.37Å; Y163-I196 HydrophobicContact CD2-CB 4.02Å; Y163-I196 HydrophobicContact CD2-CG2 3.71Å; Y163-I196 HydrophobicContact CE2-CG2 4.26Å; Y163-V391 HydrophobicContact CE2-CG2 4.22Å
164	T	98.6	Very high	96.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.			trans	-71	-20.3	-175.6	58.7	0	0	0	0	113.3	F167 L195 I196 S197 D198 M379	T164-F167 HydrophobicContact CG2-CD1 4.34Å; T164-F167 HydrophobicContact CG2-CE1 4.01Å; T164-L195 HydrophobicContact CG2-CD1 3.69Å; T164-I196 PolarHBondContact N-O 3.47Å; T164-I196 PolarHBondContact OG1-O 3.19Å; T164-S197 WeakPolarHBondContact OG1-CA 3.47Å; T164-D198 PolarHBondContact OG1-N 3.04Å; T164-M379 HydrophobicContact CG2-CE 4.42Å; T164-M379 HydrophobicContact CG2-CG 4.04Å; T164-M379 HydrophobicContact CG2-SD 4.31Å
165	G	97.6	Very high	96.2	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	15%	0.145	C	C	.	.			trans	60.7	-159.9	-155.7	0	0	0	0	0	110.6	Y163	Y163-G165 PolarHBondContact O-N 3.37Å
166	E	96.8	Very high	96	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	16%	0.163	C	C	.	.	S	Bend	trans	-87.2	137.9	168.3	-65.3	175.1	-154.1	0	0	109.6	N25 H76 H78 H144 H370 Q392	N25-E166 PolarHBondContact ND2-OE1 3.34Å; N25-E166 VanDerWaalsContact ND2-OE1 3.1Å; H76-E166 VanDerWaalsContact CE1-CD 3.45Å; H76-E166 IonicContact CE1-OE1 3.99Å; H76-E166 IonicContact CE1-OE2 3.82Å; H76-E166 IonicContact NE2-OE1 2.85Å; H76-E166 IonicContact NE2-OE2 3.69Å; H78-E166 IonicContact ND1-OE2 3.55Å; H144-E166 IonicContact CD2-OE2 2.75Å; H144-E166 IonicContact CE1-OE2 2.7Å; H144-E166 PolarHBondContact CE1-OE2 2.8Å; H144-E166 WeakPolarHBondContact NE2-CB 3.38Å; H144-E166 IonicContact NE2-OE2 3.98Å; H144-E166 PolarHBondContact NE2-OE2 2.75Å; E166-H370 IonicContact OE2-CE1 3.77Å; E166-H370 PolarHBondContact OE2-CE1 3.42Å; E166-H370 IonicContact OE2-ND1 2.71Å; E166-H370 IonicContact OE2-NE2 3.55Å; E166-Q392 HydrophobicContact CG-CG 4.25Å; E166-Q392 PolarHBondContact OE1-NE2 2.85Å
167	F	97.7	Very high	95.9	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	17%	0.168	C	C	.	.			trans	-156.3	160.8	-176.3	77.7	-79	0	0	0	113.4	T142 T143 T164 F169 D198 H370 G371 L376 M379	T142-F167 HydrophobicContact CG2-CB 4.09Å; T143-F167 CarbonylContact O-C 3.59Å; T143-F167 VanDerWaalsContact O-CA 3.26Å; T143-F167 WeakPolarHBondContact O-CA 3.5Å; T164-F167 HydrophobicContact CG2-CD1 4.34Å; T164-F167 HydrophobicContact CG2-CE1 4.01Å; F167-F169 HydrophobicContact CD2-CD2 4.44Å; F167-F169 HydrophobicContact CD2-CE2 4.21Å; F167-F169 HydrophobicContact CE2-CD2 4.19Å; F167-F169 AromaticContact CE2-CE2 3.8Å; F167-F169 HydrophobicContact CE2-CE2 3.8Å; F167-D198 HydrophobicContact CD1-CB 4.28Å; F167-D198 HydrophobicContact CE1-CB 4.29Å; F167-H370 CarbonylContact O-C 3.55Å; F167-H370 WeakPolarHBondContact O-CA 3.42Å; F167-G371 PolarHBondContact O-N 3.47Å; F167-L376 HydrophobicContact CE1-CD2 4.18Å; F167-L376 HydrophobicContact CE2-CD2 4.49Å; F167-L376 HydrophobicContact CZ-CD2 3.72Å; F167-M379 HydrophobicContact CD1-CE 4.35Å; F167-M379 HydrophobicContact CD2-CE 3.63Å; F167-M379 HydrophobicContact CE1-CE 4.26Å; F167-M379 HydrophobicContact CE1-CG 4.35Å; F167-M379 HydrophobicContact CE2-CB 3.79Å; F167-M379 HydrophobicContact CE2-CE 3.54Å; F167-M379 HydrophobicContact CE2-CG 4.16Å; F167-M379 HydrophobicContact CG-CE 4.05Å; F167-M379 HydrophobicContact CZ-CB 3.6Å; F167-M379 HydrophobicContact CZ-CE 3.87Å; F167-M379 HydrophobicContact CZ-CG 3.74Å
168	K	97.1	Very high	95.8	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-137.1	-179.8	158.7	66.7	175.5	175.7	-179.2	0	109.9	T143 E211 S368 E375	T143-K168 WeakPolarHBondContact CB-O 3.18Å; T143-K168 HydrophobicContact CG2-CG 3.94Å; T143-K168 PolarHBondContact O-N 2.98Å; K168-E211 IonicContact NZ-OE1 2.67Å; K168-E211 PolarHBondContact NZ-OE1 2.72Å; K168-S368 WeakPolarHBondContact CD-O 3.44Å; K168-S368 PolarHBondContact NZ-O 2.73Å; K168-E375 WeakPolarHBondContact CB-OE1 3.26Å
169	F	97	Very high	95.8	Very high	19 Å²	19	28.5 Å²	28.5	8%	0.083	16%	0.162	C	C	.	.			trans	-116	117	167.3	-75.2	-76.1	0	0	0	110.3	F167 P179 I181 M184 E375 M378 M379 I382	F167-F169 HydrophobicContact CD2-CD2 4.44Å; F167-F169 HydrophobicContact CD2-CE2 4.21Å; F167-F169 HydrophobicContact CE2-CD2 4.19Å; F167-F169 AromaticContact CE2-CE2 3.8Å; F167-F169 HydrophobicContact CE2-CE2 3.8Å; F169-P179 HydrophobicContact CD1-CB 4.33Å; F169-P179 HydrophobicContact CD1-CG 4.31Å; F169-P179 HydrophobicContact CE1-CB 4.37Å; F169-I181 HydrophobicContact CE1-CG1 4.26Å; F169-M184 HydrophobicContact CE1-CE 4.33Å; F169-M184 HydrophobicContact CE1-SD 4.01Å; F169-M184 HydrophobicContact CZ-SD 4.02Å; F169-E375 HydrophobicContact CB-CG 4.2Å; F169-E375 HydrophobicContact CD2-CB 3.97Å; F169-E375 HydrophobicContact CD2-CG 4.46Å; F169-E375 WeakPolarHBondContact CE2-O 3.42Å; F169-E375 PolarHBondContact N-OE1 3.36Å; F169-M378 HydrophobicContact CD1-CE 4.34Å; F169-M378 HydrophobicContact CD1-SD 4.4Å; F169-M378 HydrophobicContact CD2-CB 4.42Å; F169-M378 HydrophobicContact CD2-CG 4.38Å; F169-M378 HydrophobicContact CD2-SD 4.09Å; F169-M378 HydrophobicContact CE1-CE 4.27Å; F169-M378 HydrophobicContact CE2-CB 4.19Å; F169-M378 HydrophobicContact CE2-CG 4.05Å; F169-M378 HydrophobicContact CE2-SD 4.26Å; F169-M378 HydrophobicContact CG-SD 4.17Å; F169-M378 HydrophobicContact CZ-CG 4.34Å; F169-M378 HydrophobicContact CZ-SD 4.5Å; F169-M379 HydrophobicContact CE2-CB 4.15Å; F169-M379 HydrophobicContact CE2-CE 4.18Å; F169-M379 HydrophobicContact CZ-CE 3.84Å; F169-I382 HydrophobicContact CZ-CD1 4.29Å
170	D	95.1	Very high	95.7	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	17%	0.166	C	C	.	.			trans	-132.4	110.8	172.7	-166.8	-32.4	0	0	0	111	T143 S172 L173 P210 E211	T143-D170 HydrophobicContact CG2-CB 4.11Å; D170-S172 PolarHBondContact O-N 3.22Å; D170-S172 WeakPolarHBondContact OD1-CA 3.49Å; D170-S172 VanDerWaalsContact OD1-CB 3.28Å; D170-S172 WeakPolarHBondContact OD1-CB 3.41Å; D170-S172 PolarHBondContact OD1-N 3.08Å; D170-S172 PolarHBondContact OD1-OG 3.02Å; D170-L173 HydrophobicContact CB-CD1 3.82Å; D170-L173 HydrophobicContact CB-CG 4.06Å; D170-L173 PolarHBondContact O-N 3.19Å; D170-P210 WeakPolarHBondContact OD2-CA 3.47Å; D170-E211 WeakPolarHBondContact OD2-CB 3.19Å; D170-E211 WeakPolarHBondContact OD2-CG 3.38Å; D170-E211 PolarHBondContact OD2-N 3.14Å
171	Q	92.7	Very high	95.6	Very high	124 Å²	124	32.2 Å²	32.2	58%	0.579	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-9.6	-177.4	-54.1	-60.8	-24.3	0	0	113.2
172	S	94.1	Very high	95.4	Very high	29 Å²	29	39.3 Å²	39.3	20%	0.203	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.7	176.4	74.3	0	0	0	0	113.3	D170 N212	D170-S172 PolarHBondContact O-N 3.22Å; D170-S172 WeakPolarHBondContact OD1-CA 3.49Å; D170-S172 VanDerWaalsContact OD1-CB 3.28Å; D170-S172 WeakPolarHBondContact OD1-CB 3.41Å; D170-S172 PolarHBondContact OD1-N 3.08Å; D170-S172 PolarHBondContact OD1-OG 3.02Å; S172-N212 VanDerWaalsContact CB-CG 3.43Å; S172-N212 PolarHBondContact OG-N 3.2Å
173	L	94.1	Very high	95.3	Very high	26 Å²	26	41 Å²	41	14%	0.136	22%	0.215	C	C	.	.			trans	-92.9	149.6	-179.7	-64.3	176.4	0	0	0	112.2	T143 D170 E211 I239	T143-L173 HydrophobicContact CG2-CD1 3.51Å; D170-L173 HydrophobicContact CB-CD1 3.82Å; D170-L173 HydrophobicContact CB-CG 4.06Å; D170-L173 PolarHBondContact O-N 3.19Å; L173-E211 HydrophobicContact CD1-CG 4.12Å; L173-E211 HydrophobicContact CD2-CB 3.93Å; L173-E211 HydrophobicContact CD2-CG 4.25Å; L173-E211 HydrophobicContact CG-CB 4.33Å; L173-E211 HydrophobicContact CG-CG 4.4Å; L173-I239 HydrophobicContact CD1-CD1 3.48Å; L173-I239 VanDerWaalsContact CD1-CD1 3.48Å; L173-I239 HydrophobicContact CD2-CD1 4.28Å; L173-I239 HydrophobicContact CD2-CG2 4.43Å
174	H	91	Very high	95.3	Very high	145 Å²	145	41 Å²	41	67%	0.671	22%	0.215	S	C	*	.			trans	-136.7	168.3	-172.9	-57.1	-44	0	0	0	111.7	H176 Y177	H174-H176 PolarHBondContact O-N 3.13Å; H174-Y177 PolarHBondContact O-N 3.44Å
175	G	92.5	Very high	95.2	Very high	58 Å²	58	42.9 Å²	42.9	60%	0.598	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	61.1	-125.1	175	0	0	0	0	0	112.4	Y177 A178	G175-Y177 PolarHBondContact O-N 3.06Å; G175-A178 WeakPolarHBondContact O-CB 3.34Å; G175-A178 PolarHBondContact O-N 3.07Å
176	H	93.3	Very high	95.2	Very high	94 Å²	94	46 Å²	46	44%	0.435	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-64.7	-8.9	-176.2	-64	-72.7	0	0	0	115.3	P147 D148 H174 Y274	P147-H176 HydrophobicContact CB-CB 3.71Å; D148-H176 PolarHBondContact N-O 3.44Å; D148-H176 IonicContact OD1-CE1 2.67Å; D148-H176 IonicContact OD1-CG 2.7Å; D148-H176 IonicContact OD1-ND1 3.12Å; D148-H176 PolarHBondContact OD1-ND1 2.96Å; H174-H176 PolarHBondContact O-N 3.13Å; H176-Y274 HydrophobicContact CB-CD1 4.25Å; H176-Y274 HydrophobicContact CB-CE1 4.32Å; H176-Y274 AromaticContact CD2-CD1 3.98Å; H176-Y274 AromaticContact CG-CD1 3.93Å; H176-Y274 AromaticContact CG-CE1 3.84Å; H176-Y274 AromaticContact ND1-CE1 3.76Å
177	Y	95.4	Very high	95.2	Very high	26 Å²	26	46 Å²	46	10%	0.102	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-109.1	-6.2	176.8	-61.8	-84.5	0	0	0	113.2	T143 P147 H174 G175 F238 I239	T143-Y177 WeakPolarHBondContact CA-O 3.47Å; T143-Y177 WeakPolarHBondContact CB-O 3.47Å; T143-Y177 PolarHBondContact OG1-O 3.33Å; P147-Y177 HydrophobicContact CB-CD1 4.47Å; P147-Y177 HydrophobicContact CB-CE1 4.02Å; P147-Y177 HydrophobicContact CB-CE2 4.24Å; P147-Y177 WeakPolarHBondContact CD-OH 3.31Å; P147-Y177 HydrophobicContact CG-CE1 3.88Å; P147-Y177 HydrophobicContact CG-CE2 4.16Å; P147-Y177 WeakPolarHBondContact CG-OH 3.32Å; P147-Y177 VanDerWaalsContact N-CE1 3.32Å; H174-Y177 PolarHBondContact O-N 3.44Å; G175-Y177 PolarHBondContact O-N 3.06Å; Y177-F238 WeakPolarHBondContact OH-CB 3.22Å; Y177-I239 HydrophobicContact CD1-CD1 3.78Å; Y177-I239 HydrophobicContact CD1-CG1 3.65Å; Y177-I239 HydrophobicContact CE1-CD1 3.97Å; Y177-I239 HydrophobicContact CE1-CG1 3.34Å; Y177-I239 HydrophobicContact CG-CD1 4.47Å; Y177-I239 HydrophobicContact CG-CG1 4.37Å
178	A	93.3	Very high	95.2	Very high	30 Å²	30	46.3 Å²	46.3	25%	0.248	25%	0.249	C	C	.	.			trans	-71.3	134.8	-176.1	0	0	0	0	0	110.7	G175	G175-A178 WeakPolarHBondContact O-CB 3.34Å; G175-A178 PolarHBondContact O-N 3.07Å
179	P	93.6	Very high	95.2	Very high	20 Å²	20	54.2 Å²	54.2	13%	0.13	29%	0.286	C	S	.	.			trans	-76.8	140.1	175.2	30.9	-26.8	0	0	0	109.8	T143 F169 I181 M184	T143-P179 WeakPolarHBondContact OG1-CD 3.46Å; T143-P179 WeakPolarHBondContact OG1-CG 3.43Å; F169-P179 HydrophobicContact CD1-CB 4.33Å; F169-P179 HydrophobicContact CD1-CG 4.31Å; F169-P179 HydrophobicContact CE1-CB 4.37Å; P179-I181 VanDerWaalsContact C-N 3.28Å; P179-I181 HydrophobicContact CB-CG1 4.26Å; P179-I181 HydrophobicContact CG-CD1 4.29Å; P179-I181 HydrophobicContact CG-CG1 4.11Å; P179-I181 PolarHBondContact O-N 3.38Å; P179-I181 VanDerWaalsContact O-N 3.07Å; P179-M184 HydrophobicContact CB-CE 4.1Å
180	D	94.6	Very high	95.1	Very high	38 Å²	38	58.7 Å²	58.7	20%	0.203	31%	0.307	C	S	.	.			trans	-87.5	68.3	176	-163.8	-16.9	0	0	0	110.8	N126 N141 K182 R183 M184	N126-D180 PolarHBondContact ND2-OD2 3.26Å; N141-D180 HydrophobicContact CB-CB 4.12Å; N141-D180 PolarHBondContact O-N 3.04Å; D180-K182 PolarHBondContact O-N 2.9Å; D180-R183 HydrophobicContact CB-CB 3.97Å; D180-R183 PolarHBondContact O-N 3.33Å; D180-R183 VanDerWaalsContact OD1-CB 3.28Å; D180-R183 WeakPolarHBondContact OD1-CB 3.32Å; D180-R183 PolarHBondContact OD1-N 3.5Å; D180-R183 WeakPolarHBondContact OD2-CB 3.41Å; D180-M184 WeakPolarHBondContact O-CG 3.43Å; D180-M184 PolarHBondContact O-N 2.8Å
181	I	95.6	Very high	95.2	Very high	54 Å²	54	59.8 Å²	59.8	28%	0.277	32%	0.32	S	S	.	.	H	α-helix	trans	-57.4	-35.7	-176.8	-60.2	175.7	0	0	0	111	F169 P179 M184 A185 M378 I382	F169-I181 HydrophobicContact CE1-CG1 4.26Å; P179-I181 VanDerWaalsContact C-N 3.28Å; P179-I181 HydrophobicContact CB-CG1 4.26Å; P179-I181 HydrophobicContact CG-CD1 4.29Å; P179-I181 HydrophobicContact CG-CG1 4.11Å; P179-I181 PolarHBondContact O-N 3.38Å; P179-I181 VanDerWaalsContact O-N 3.07Å; I181-M184 PolarHBondContact O-N 3.41Å; I181-A185 PolarHBondContact O-N 3.22Å; I181-M378 HydrophobicContact CD1-CE 4.27Å; I181-I382 HydrophobicContact CG2-CD1 4.37Å
182	K	95.7	Very high	95.5	Very high	151 Å²	151	54.2 Å²	54.2	66%	0.657	29%	0.294	S	S	*	.	H	α-helix	trans	-61.7	-50.9	176.5	-177.9	-172.2	171.3	-157.8	0	110.3	D180 M184 A185 E186	D180-K182 PolarHBondContact O-N 2.9Å; K182-M184 VanDerWaalsContact C-N 3.32Å; K182-M184 PolarHBondContact O-N 2.84Å; K182-A185 PolarHBondContact O-N 2.92Å; K182-E186 WeakPolarHBondContact CE-OE1 3.18Å; K182-E186 IonicContact NZ-OE1 3.7Å; K182-E186 WeakPolarHBondContact O-CG 3.42Å; K182-E186 PolarHBondContact O-N 2.84Å
183	R	96.4	Very high	95.7	Very high	37 Å²	37	53 Å²	53	14%	0.14	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-38.9	178.8	-174.5	63.2	-174.3	141.9	9.2	112.1	F140 D180 A185 E186 I187 E190	F140-R183 HydrophobicContact CB-CB 4.28Å; F140-R183 HydrophobicContact CB-CG 3.8Å; D180-R183 HydrophobicContact CB-CB 3.97Å; D180-R183 PolarHBondContact O-N 3.33Å; D180-R183 VanDerWaalsContact OD1-CB 3.28Å; D180-R183 WeakPolarHBondContact OD1-CB 3.32Å; D180-R183 PolarHBondContact OD1-N 3.5Å; D180-R183 WeakPolarHBondContact OD2-CB 3.41Å; R183-A185 VanDerWaalsContact C-N 3.33Å; R183-A185 PolarHBondContact O-N 3.19Å; R183-E186 WeakPolarHBondContact CD-OE2 3.41Å; R183-E186 IonicContact CZ-OE2 2.72Å; R183-E186 IonicContact NH1-OE2 3.87Å; R183-E186 PolarHBondContact NH1-OE2 3.4Å; R183-E186 PolarHBondContact O-N 3.37Å; R183-I187 HydrophobicContact CG-CD1 4.01Å; R183-I187 WeakPolarHBondContact O-CD1 3.29Å; R183-I187 VanDerWaalsContact O-CG1 3.28Å; R183-I187 WeakPolarHBondContact O-CG1 3.44Å; R183-I187 PolarHBondContact O-N 3.23Å; R183-E190 IonicContact NH1-OE1 2.8Å
184	M	97.9	Very high	95.9	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-43.8	174.2	-64.5	173.9	-167.3	0	0	111.6	F140 N141 T142 F169 P179 D180 I181 K182 I187 G188 M379 I382 M383	F140-M184 HydrophobicContact CD2-CE 3.71Å; F140-M184 HydrophobicContact CD2-CG 3.64Å; F140-M184 HydrophobicContact CD2-SD 4.44Å; F140-M184 HydrophobicContact CE2-CE 3.91Å; F140-M184 HydrophobicContact CE2-CG 3.98Å; F140-M184 HydrophobicContact CE2-SD 4.48Å; F140-M184 HydrophobicContact CG-CG 4.34Å; N141-M184 WeakPolarHBondContact O-CE 3.39Å; T142-M184 HydrophobicContact CG2-CE 4.12Å; F169-M184 HydrophobicContact CE1-CE 4.33Å; F169-M184 HydrophobicContact CE1-SD 4.01Å; F169-M184 HydrophobicContact CZ-SD 4.02Å; P179-M184 HydrophobicContact CB-CE 4.1Å; D180-M184 WeakPolarHBondContact O-CG 3.43Å; D180-M184 PolarHBondContact O-N 2.8Å; I181-M184 PolarHBondContact O-N 3.41Å; K182-M184 VanDerWaalsContact C-N 3.32Å; K182-M184 PolarHBondContact O-N 2.84Å; M184-I187 PolarHBondContact O-N 2.91Å; M184-G188 PolarHBondContact O-N 2.67Å; M184-M379 HydrophobicContact CE-CE 4.2Å; M184-M379 HydrophobicContact SD-CE 4.01Å; M184-M379 HydrophobicContact SD-SD 4.31Å; M184-I382 VanDerWaalsContact C-CG2 3.5Å; M184-I382 HydrophobicContact CB-CG2 3.61Å; M184-M383 HydrophobicContact CB-CE 3.82Å; M184-M383 HydrophobicContact CG-CE 3.79Å
185	A	97.5	Very high	96.3	Very high	40 Å²	40	44.8 Å²	44.8	33%	0.331	25%	0.246	S	C	.	.	H	α-helix	trans	-65.4	-41.4	177.4	0	0	0	0	0	112.4	I181 K182 R183 I187 G188 E189 I382	I181-A185 PolarHBondContact O-N 3.22Å; K182-A185 PolarHBondContact O-N 2.92Å; R183-A185 VanDerWaalsContact C-N 3.33Å; R183-A185 PolarHBondContact O-N 3.19Å; A185-I187 VanDerWaalsContact C-N 3.33Å; A185-I187 PolarHBondContact O-N 3.46Å; A185-G188 PolarHBondContact O-N 3.19Å; A185-E189 WeakPolarHBondContact O-CG 3.47Å; A185-E189 PolarHBondContact O-N 3.29Å; A185-I382 HydrophobicContact CB-CG2 4.37Å
186	E	97	Very high	96.6	Very high	66 Å²	66	42.1 Å²	42.1	31%	0.308	22%	0.218	S	C	.	.	H	α-helix	trans	-58.4	-44.7	173.3	-69.3	172.4	-180	0	0	111.4	K182 R183 G188 E189 E190	K182-E186 WeakPolarHBondContact CE-OE1 3.18Å; K182-E186 IonicContact NZ-OE1 3.7Å; K182-E186 WeakPolarHBondContact O-CG 3.42Å; K182-E186 PolarHBondContact O-N 2.84Å; R183-E186 WeakPolarHBondContact CD-OE2 3.41Å; R183-E186 IonicContact CZ-OE2 2.72Å; R183-E186 IonicContact NH1-OE2 3.87Å; R183-E186 PolarHBondContact NH1-OE2 3.4Å; R183-E186 PolarHBondContact O-N 3.37Å; E186-G188 VanDerWaalsContact C-N 3.35Å; E186-G188 PolarHBondContact O-N 3.12Å; E186-E189 PolarHBondContact O-N 3.45Å; E186-E190 WeakPolarHBondContact O-CB 3.36Å; E186-E190 VanDerWaalsContact O-CG 3.3Å; E186-E190 WeakPolarHBondContact O-CG 3.42Å; E186-E190 PolarHBondContact O-N 3.22Å
187	I	97.3	Very high	96.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-43.1	176.7	-68	157.6	0	0	0	111	F140 C153 A160 V162 R183 M184 A185 E189 E190 G191 V192 M383	F140-I187 HydrophobicContact CB-CD1 4.13Å; F140-I187 HydrophobicContact CD1-CD1 3.68Å; F140-I187 HydrophobicContact CE1-CD1 4.38Å; F140-I187 HydrophobicContact CG-CD1 4.1Å; C153-I187 VanDerWaalsContact SG-CD1 3.55Å; A160-I187 HydrophobicContact CB-CG2 4.45Å; V162-I187 HydrophobicContact CG2-CG2 3.94Å; R183-I187 HydrophobicContact CG-CD1 4.01Å; R183-I187 WeakPolarHBondContact O-CD1 3.29Å; R183-I187 VanDerWaalsContact O-CG1 3.28Å; R183-I187 WeakPolarHBondContact O-CG1 3.44Å; R183-I187 PolarHBondContact O-N 3.23Å; M184-I187 PolarHBondContact O-N 2.91Å; A185-I187 VanDerWaalsContact C-N 3.33Å; A185-I187 PolarHBondContact O-N 3.46Å; I187-E189 VanDerWaalsContact C-N 3.34Å; I187-E189 PolarHBondContact O-N 3.42Å; I187-E190 PolarHBondContact O-N 2.87Å; I187-G191 PolarHBondContact O-N 2.82Å; I187-V192 HydrophobicContact CG2-CG2 3.8Å; I187-M383 HydrophobicContact CG2-SD 4.09Å
188	G	97.8	Very high	97	Very high	9 Å²	9	36.5 Å²	36.5	9%	0.093	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-36	176	0	0	0	0	0	113.6	M184 A185 E186 G191	M184-G188 PolarHBondContact O-N 2.67Å; A185-G188 PolarHBondContact O-N 3.19Å; E186-G188 VanDerWaalsContact C-N 3.35Å; E186-G188 PolarHBondContact O-N 3.12Å; G188-G191 PolarHBondContact O-N 2.85Å
189	E	96.8	Very high	97.2	Very high	167 Å²	167	35.1 Å²	35.1	78%	0.78	18%	0.181	S	C	*	.	H	α-helix	trans	-73	-36.7	174.7	-74.3	-175	178.2	0	0	113	A185 E186 I187 G191	A185-E189 WeakPolarHBondContact O-CG 3.47Å; A185-E189 PolarHBondContact O-N 3.29Å; E186-E189 PolarHBondContact O-N 3.45Å; I187-E189 VanDerWaalsContact C-N 3.34Å; I187-E189 PolarHBondContact O-N 3.42Å; E189-G191 PolarHBondContact O-N 2.98Å
190	E	95.9	Very high	97.3	Very high	112 Å²	112	35 Å²	35	52%	0.523	18%	0.18	S	C	.	.	H	α-helix	trans	-65.3	-27	173.7	-73.9	174.4	-165.1	0	0	112.1	R183 E186 I187	R183-E190 IonicContact NH1-OE1 2.8Å; E186-E190 WeakPolarHBondContact O-CB 3.36Å; E186-E190 VanDerWaalsContact O-CG 3.3Å; E186-E190 WeakPolarHBondContact O-CG 3.42Å; E186-E190 PolarHBondContact O-N 3.22Å; I187-E190 PolarHBondContact O-N 2.87Å
191	G	96.9	Very high	97.3	Very high	28 Å²	28	35 Å²	35	29%	0.289	18%	0.179	S	C	.	.			trans	108.4	124	174.7	0	0	0	0	0	112.9	G159 A160 I187 G188 E189	G159-G191 CarbonylContact C-O 3.54Å; G159-G191 VanDerWaalsContact CA-O 3.23Å; G159-G191 WeakPolarHBondContact CA-O 3.32Å; A160-G191 PolarHBondContact N-O 2.9Å; I187-G191 PolarHBondContact O-N 2.82Å; G188-G191 PolarHBondContact O-N 2.85Å; E189-G191 PolarHBondContact O-N 2.98Å
192	V	98.6	Very high	97.4	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.036	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	116.5	177.1	176.8	0	0	0	0	109.7	A160 V162 I187 V194 L195 M383 P385 E386	A160-V192 CarbonylContact O-C 3.56Å; V162-V192 HydrophobicContact CB-CG1 4.24Å; V162-V192 HydrophobicContact CG2-CB 4.5Å; V162-V192 HydrophobicContact CG2-CG1 3.85Å; V162-V192 HydrophobicContact CG2-CG2 3.9Å; I187-V192 HydrophobicContact CG2-CG2 3.8Å; V192-V194 WeakPolarHBondContact CG1-O 3.46Å; V192-L195 HydrophobicContact CG1-CB 4.25Å; V192-M383 WeakPolarHBondContact CB-O 3.48Å; V192-M383 HydrophobicContact CG2-CB 4.21Å; V192-M383 WeakPolarHBondContact CG2-O 3.5Å; V192-M383 HydrophobicContact CG2-SD 4.23Å; V192-P385 HydrophobicContact CB-CB 4.44Å; V192-P385 HydrophobicContact CG1-CB 3.88Å; V192-P385 WeakPolarHBondContact O-CA 3.43Å; V192-E386 PolarHBondContact O-N 3.4Å
193	F	98.2	Very high	97.4	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.013	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-47.6	178.5	-174.7	-130.5	0	0	0	111.2	I11 A160 I161 Y387 Y426 M431	I11-F193 HydrophobicContact CD1-CD1 4.23Å; I11-F193 HydrophobicContact CD1-CE1 3.97Å; A160-F193 PolarHBondContact O-N 2.82Å; I161-F193 HydrophobicContact CG1-CD1 4.45Å; F193-Y387 HydrophobicContact CD2-CD2 4.18Å; F193-Y387 HydrophobicContact CD2-CE2 4.35Å; F193-Y387 AromaticContact CE2-CD2 3.79Å; F193-Y387 HydrophobicContact CE2-CD2 3.79Å; F193-Y387 AromaticContact CE2-CE2 3.58Å; F193-Y387 HydrophobicContact CE2-CE2 3.58Å; F193-Y387 HydrophobicContact CZ-CD2 4.14Å; F193-Y387 AromaticContact CZ-CE2 3.94Å; F193-Y387 HydrophobicContact CZ-CE2 3.94Å; F193-Y387 PolarHBondContact O-N 2.81Å; F193-Y426 HydrophobicContact CE1-CD2 4.37Å; F193-Y426 HydrophobicContact CE2-CE2 4.45Å; F193-Y426 AromaticContact CZ-CD2 3.72Å; F193-Y426 HydrophobicContact CZ-CD2 3.72Å; F193-Y426 AromaticContact CZ-CE2 3.78Å; F193-Y426 HydrophobicContact CZ-CE2 3.78Å; F193-Y426 HydrophobicContact CZ-CG 4.44Å; F193-M431 HydrophobicContact CE1-CG 4.36Å; F193-M431 HydrophobicContact CE1-SD 3.85Å; F193-M431 HydrophobicContact CZ-CG 4.03Å; F193-M431 HydrophobicContact CZ-SD 3.96Å
194	V	98.8	Very high	97.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.9	178.4	-173	0	0	0	0	109.2	I13 A160 I161 V162 V192 I196 Y387 I389	I13-V194 HydrophobicContact CD1-CB 4.16Å; I13-V194 HydrophobicContact CD1-CG1 3.79Å; I13-V194 HydrophobicContact CD1-CG2 4Å; A160-V194 PolarHBondContact O-N 3.06Å; I161-V194 WeakPolarHBondContact CA-O 3.4Å; I161-V194 HydrophobicContact CG1-CB 4.39Å; I161-V194 HydrophobicContact CG1-CG2 4.36Å; I161-V194 HydrophobicContact CG2-CB 4.28Å; V162-V194 PolarHBondContact N-O 2.92Å; V192-V194 WeakPolarHBondContact CG1-O 3.46Å; V194-I196 HydrophobicContact CG1-CG1 4.25Å; V194-Y387 CarbonylContact C-O 3.59Å; V194-Y387 WeakPolarHBondContact CA-O 3.28Å; V194-I389 HydrophobicContact CG1-CD1 3.5Å; V194-I389 HydrophobicContact CG1-CG1 3.88Å
195	L	98.9	Very high	97.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.3	168.1	-180	66.9	0	0	0	110	V162 T164 V192 M379 I380 M383 P385 Y387 F388 I389	V162-L195 HydrophobicContact CB-CD1 3.9Å; V162-L195 HydrophobicContact CG1-CD1 3.72Å; T164-L195 HydrophobicContact CG2-CD1 3.69Å; V192-L195 HydrophobicContact CG1-CB 4.25Å; L195-M379 HydrophobicContact CD2-CG 4.49Å; L195-I380 HydrophobicContact CD2-CG1 4.22Å; L195-M383 HydrophobicContact CD1-CB 4.46Å; L195-M383 HydrophobicContact CD1-CG 4.15Å; L195-M383 HydrophobicContact CD2-CB 4.07Å; L195-M383 HydrophobicContact CD2-CG 4.31Å; L195-P385 HydrophobicContact CB-CB 3.54Å; L195-P385 HydrophobicContact CB-CG 3.82Å; L195-P385 HydrophobicContact CD2-CG 4Å; L195-Y387 PolarHBondContact N-O 2.9Å; L195-F388 HydrophobicContact CB-CD2 4.09Å; L195-F388 HydrophobicContact CD2-CD2 4.02Å; L195-F388 HydrophobicContact CD2-CE2 3.88Å; L195-F388 HydrophobicContact CG-CD2 4.19Å; L195-F388 HydrophobicContact CG-CE2 4.16Å; L195-I389 PolarHBondContact O-N 3.31Å
196	I	98.9	Very high	97	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	110	173.4	-54.8	171	0	0	0	106.6	I13 V29 L38 I161 V162 Y163 T164 V194 I389 V391	I13-I196 HydrophobicContact CD1-CD1 4.49Å; I13-I196 HydrophobicContact CG2-CD1 4.09Å; V29-I196 HydrophobicContact CG2-CD1 4.45Å; L38-I196 HydrophobicContact CD1-CD1 4.46Å; I161-I196 HydrophobicContact CG2-CD1 4.12Å; V162-I196 PolarHBondContact O-N 2.88Å; Y163-I196 HydrophobicContact CD2-CB 4.02Å; Y163-I196 HydrophobicContact CD2-CG2 3.71Å; Y163-I196 HydrophobicContact CE2-CG2 4.26Å; T164-I196 PolarHBondContact N-O 3.47Å; T164-I196 PolarHBondContact OG1-O 3.19Å; V194-I196 HydrophobicContact CG1-CG1 4.25Å; I196-I389 WeakPolarHBondContact CA-O 3.48Å; I196-I389 HydrophobicContact CG1-CB 4.41Å; I196-I389 HydrophobicContact CG1-CD1 4.17Å; I196-V391 HydrophobicContact CG2-CB 4.26Å; I196-V391 HydrophobicContact CG2-CG1 3.6Å; I196-V391 HydrophobicContact CG2-CG2 3.59Å
197	S	98.7	Very high	96.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.3	-166.2	-163	0	0	0	0	114.2	T164 S199 I389 V391 H401	T164-S197 WeakPolarHBondContact OG1-CA 3.47Å; S197-S199 PolarHBondContact O-OG 3.02Å; S197-I389 PolarHBondContact N-O 2.65Å; S197-V391 PolarHBondContact O-N 2.79Å; S197-V391 VanDerWaalsContact O-O 3.14Å; S197-H401 PolarHBondContact OG-CE1 3.42Å
198	D	98	Very high	96.7	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.011	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	131.3	172.2	176.3	11.2	0	0	0	112.2	T164 F167 T200 H370 L376 V391 H401	T164-D198 PolarHBondContact OG1-N 3.04Å; F167-D198 HydrophobicContact CD1-CB 4.28Å; F167-D198 HydrophobicContact CE1-CB 4.29Å; D198-T200 WeakPolarHBondContact OD1-CB 3.41Å; D198-T200 PolarHBondContact OD1-N 2.71Å; D198-T200 PolarHBondContact OD1-OG1 3.45Å; D198-H370 IonicContact OD1-ND1 3.74Å; D198-H370 IonicContact OD2-CE1 2.85Å; D198-H370 IonicContact OD2-CG 3.85Å; D198-H370 IonicContact OD2-ND1 3.52Å; D198-H370 PolarHBondContact OD2-ND1 2.54Å; D198-L376 WeakPolarHBondContact O-CD2 3.27Å; D198-V391 CarbonylContact C-O 3.58Å; D198-H401 PolarHBondContact O-CE1 3Å; D198-H401 PolarHBondContact O-ND1 3.14Å; D198-H401 VanDerWaalsContact O-ND1 3.16Å
199	S	98.1	Very high	96.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.			trans	-116.2	1.8	-174.1	-48.3	0	0	0	0	113.6	S197 E201 A202 P390 V391 Q392 M397 H401	S197-S199 PolarHBondContact O-OG 3.02Å; S199-E201 VanDerWaalsContact C-N 3.27Å; S199-E201 PolarHBondContact O-N 3.37Å; S199-E201 VanDerWaalsContact O-N 3.09Å; S199-A202 WeakPolarHBondContact O-CB 3.25Å; S199-A202 PolarHBondContact O-N 3.1Å; S199-P390 WeakPolarHBondContact OG-CB 3.44Å; S199-V391 WeakPolarHBondContact CB-O 3.33Å; S199-V391 PolarHBondContact N-O 2.83Å; S199-V391 PolarHBondContact OG-N 2.86Å; S199-V391 PolarHBondContact OG-O 3.46Å; S199-Q392 CarbonylContact C-O 3.58Å; S199-Q392 PolarHBondContact N-O 2.83Å; S199-M397 WeakPolarHBondContact O-CB 3.4Å; S199-H401 WeakPolarHBondContact CA-ND1 3.22Å; S199-H401 PolarHBondContact OG-ND1 3.33Å
200	T	95.3	Very high	96.4	Very high	17 Å²	17	35.5 Å²	35.5	10%	0.104	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-41.5	-166.4	-55.7	0	0	0	0	113.6	D198 H370 Q392	D198-T200 WeakPolarHBondContact OD1-CB 3.41Å; D198-T200 PolarHBondContact OD1-N 2.71Å; D198-T200 PolarHBondContact OD1-OG1 3.45Å; T200-H370 HydrophobicContact CG2-CB 4.34Å; T200-H370 PolarHBondContact OG1-ND1 2.62Å; T200-Q392 PolarHBondContact N-O 3.14Å; T200-Q392 VanDerWaalsContact N-O 3.08Å; T200-Q392 PolarHBondContact OG1-O 3.31Å
201	E	95.4	Very high	96.4	Very high	39 Å²	39	30.3 Å²	30.3	18%	0.182	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	25.2	-178.7	-68.3	-77.7	-173.2	0	0	112.7	S199 E203 K204 H366 S368 H370 G371	S199-E201 VanDerWaalsContact C-N 3.27Å; S199-E201 PolarHBondContact O-N 3.37Å; S199-E201 VanDerWaalsContact O-N 3.09Å; E201-E203 PolarHBondContact O-N 3.33Å; E201-E203 VanDerWaalsContact O-N 3.15Å; E201-K204 HydrophobicContact CB-CB 4.22Å; E201-K204 WeakPolarHBondContact O-CB 3.35Å; E201-K204 PolarHBondContact O-N 3.34Å; E201-K204 WeakPolarHBondContact OE2-CB 3.1Å; E201-H366 IonicContact OE1-CE1 2.78Å; E201-H366 PolarHBondContact OE1-CE1 2.79Å; E201-H366 IonicContact OE1-NE2 3.42Å; E201-H366 IonicContact OE2-CE1 3.92Å; E201-H366 IonicContact OE2-NE2 2.79Å; E201-S368 VanDerWaalsContact CG-OG 3.32Å; E201-S368 WeakPolarHBondContact CG-OG 3.48Å; E201-S368 WeakPolarHBondContact OE1-CB 3.2Å; E201-S368 PolarHBondContact OE1-OG 2.88Å; E201-H370 HydrophobicContact CB-CB 4.31Å; E201-H370 HydrophobicContact CG-CB 3.83Å; E201-G371 WeakPolarHBondContact CB-O 3.27Å
202	A	97.3	Very high	96.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.2	-179.4	0	0	0	0	0	114	S199 M373 L376 M397 A400 H401 L404	S199-A202 WeakPolarHBondContact O-CB 3.25Å; S199-A202 PolarHBondContact O-N 3.1Å; A202-M373 WeakPolarHBondContact O-CE 3.23Å; A202-M373 VanDerWaalsContact O-CG 3.32Å; A202-M373 WeakPolarHBondContact O-CG 3.16Å; A202-L376 HydrophobicContact CB-CD1 3.67Å; A202-M397 WeakPolarHBondContact CB-O 3.37Å; A202-A400 HydrophobicContact CB-CB 4Å; A202-H401 HydrophobicContact CB-CB 3.65Å; A202-L404 HydrophobicContact CB-CD1 4.27Å
203	E	95.5	Very high	96.1	Very high	95 Å²	95	35 Å²	35	44%	0.444	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-8.1	173.5	-63.7	-173.3	105.3	0	0	113	E201 P205 K396 A400	E201-E203 PolarHBondContact O-N 3.33Å; E201-E203 VanDerWaalsContact O-N 3.15Å; E203-P205 WeakPolarHBondContact O-CD 3.43Å; E203-K396 WeakPolarHBondContact OE2-CD 3.39Å; E203-K396 WeakPolarHBondContact OE2-CE 3.46Å; E203-A400 HydrophobicContact CG-CB 3.76Å
204	K	94.3	Very high	95.9	Very high	80 Å²	80	35.1 Å²	35.1	35%	0.348	19%	0.187	S	C	.	.	S	Bend	trans	-90.5	115.9	-175.8	-168.8	74.5	-179	-176.4	0	111.8	E201 C372 M373	E201-K204 HydrophobicContact CB-CB 4.22Å; E201-K204 WeakPolarHBondContact O-CB 3.35Å; E201-K204 PolarHBondContact O-N 3.34Å; E201-K204 WeakPolarHBondContact OE2-CB 3.1Å; K204-C372 HydrophobicContact CB-CB 4.27Å; K204-C372 HydrophobicContact CG-CB 4.34Å; K204-C372 VanDerWaalsContact CG-SG 3.58Å; K204-C372 WeakPolarHBondContact O-CB 3.2Å; K204-M373 WeakPolarHBondContact O-CB 3.37Å; K204-M373 WeakPolarHBondContact O-CG 3.33Å; K204-M373 PolarHBondContact O-N 3.21Å
205	P	94.8	Very high	95.7	Very high	94 Å²	94	36.5 Å²	36.5	61%	0.61	19%	0.193	S	C	*	.			trans	-71.5	150	-179	29.8	-35.3	0	0	0	112.4	E203 M373	E203-P205 WeakPolarHBondContact O-CD 3.43Å; P205-M373 HydrophobicContact CB-SD 4.15Å
206	G	94.5	Very high	95.5	Very high	26 Å²	26	42.4 Å²	42.4	27%	0.268	22%	0.221	S	C	.	.	S	Bend	trans	79.5	-135.2	174.7	0	0	0	0	0	112.9	C372 E374	G206-C372 VanDerWaalsContact O-CB 3.22Å; G206-C372 WeakPolarHBondContact O-CB 3.41Å; G206-E374 WeakPolarHBondContact O-CB 3.42Å; G206-E374 WeakPolarHBondContact O-CG 3.12Å; G206-E374 PolarHBondContact O-N 3.19Å; G206-E374 VanDerWaalsContact O-N 3.09Å
207	Y	94.2	Very high	95.3	Very high	152 Å²	152	45.9 Å²	45.9	60%	0.596	24%	0.237	S	C	*	.			trans	-126.4	155.2	-172.9	-61.7	-90.6	0	0	0	110.7	E374 E375	Y207-E374 HydrophobicContact CD1-CB 3.89Å; Y207-E374 HydrophobicContact CD2-CB 4.18Å; Y207-E374 HydrophobicContact CD2-CG 4.22Å; Y207-E374 HydrophobicContact CE1-CB 3.42Å; Y207-E374 VanDerWaalsContact CE1-CB 3.42Å; Y207-E374 HydrophobicContact CE1-CG 4.35Å; Y207-E374 HydrophobicContact CE2-CB 3.73Å; Y207-E374 HydrophobicContact CE2-CG 3.72Å; Y207-E374 HydrophobicContact CG-CB 4.24Å; Y207-E375 HydrophobicContact CD1-CG 3.88Å
208	N	93.8	Very high	95.1	Very high	12 Å²	12	46 Å²	46	6%	0.064	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-56.6	149.1	160.5	-85	-72.9	0	0	0	112.1	P210 H366 S368 H370 E375	N208-P210 WeakPolarHBondContact O-CD 3.49Å; N208-H366 PolarHBondContact OD1-CD2 3.3Å; N208-S368 WeakPolarHBondContact OD1-CA 3.42Å; N208-S368 VanDerWaalsContact OD1-CB 3.28Å; N208-S368 WeakPolarHBondContact OD1-CB 3.28Å; N208-S368 PolarHBondContact OD1-N 3.44Å; N208-S368 PolarHBondContact OD1-O 3.37Å; N208-H370 PolarHBondContact ND2-O 3.14Å; N208-E375 WeakPolarHBondContact CB-OE2 2.98Å; N208-E375 PolarHBondContact N-OE2 3.19Å; N208-E375 PolarHBondContact ND2-OE2 3.01Å
209	T	94.3	Very high	95	Very high	24 Å²	24	49.8 Å²	49.8	15%	0.147	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-70.2	128.4	167.4	-53.8	0	0	0	0	108.5	V213 I214 I365 H366	T209-V213 HydrophobicContact CG2-CB 4.01Å; T209-V213 HydrophobicContact CG2-CG1 3.87Å; T209-I214 HydrophobicContact CG2-CD1 4.48Å; T209-I214 HydrophobicContact CG2-CG1 3.94Å; T209-I214 VanDerWaalsContact O-CD1 3.31Å; T209-I214 WeakPolarHBondContact O-CD1 3.44Å; T209-I365 HydrophobicContact CG2-CG2 4.13Å; T209-H366 VanDerWaalsContact CB-O 3.26Å; T209-H366 WeakPolarHBondContact CB-O 3.14Å; T209-H366 PolarHBondContact N-O 2.84Å; T209-H366 PolarHBondContact OG1-N 2.95Å; T209-H366 PolarHBondContact OG1-O 3.22Å; T209-H366 VanDerWaalsContact OG1-O 3.12Å
210	P	94.8	Very high	94.9	Very high	54 Å²	54	53.9 Å²	53.9	35%	0.351	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-58.3	142.3	177	-27.5	36.7	0	0	0	112.7	D170 N208 N212 V213 I214	D170-P210 WeakPolarHBondContact OD2-CA 3.47Å; N208-P210 WeakPolarHBondContact O-CD 3.49Å; P210-N212 VanDerWaalsContact C-N 3.28Å; P210-N212 VanDerWaalsContact CB-OD1 3.23Å; P210-N212 WeakPolarHBondContact CB-OD1 3.32Å; P210-N212 PolarHBondContact O-N 3.41Å; P210-V213 HydrophobicContact CB-CG2 4.27Å; P210-V213 WeakPolarHBondContact O-CB 3.32Å; P210-V213 PolarHBondContact O-N 3.29Å; P210-I214 PolarHBondContact O-N 3.19Å; P210-I214 VanDerWaalsContact O-N 3.1Å
211	E	94.7	Very high	94.8	Very high	3 Å²	3	54 Å²	54	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-33.4	-176.3	-72.2	-65.7	175.1	0	0	112.6	K168 D170 L173 V213 I214 E215 I239 R240 Q243	K168-E211 IonicContact NZ-OE1 2.67Å; K168-E211 PolarHBondContact NZ-OE1 2.72Å; D170-E211 WeakPolarHBondContact OD2-CB 3.19Å; D170-E211 WeakPolarHBondContact OD2-CG 3.38Å; D170-E211 PolarHBondContact OD2-N 3.14Å; L173-E211 HydrophobicContact CD1-CG 4.12Å; L173-E211 HydrophobicContact CD2-CB 3.93Å; L173-E211 HydrophobicContact CD2-CG 4.25Å; L173-E211 HydrophobicContact CG-CB 4.33Å; L173-E211 HydrophobicContact CG-CG 4.4Å; E211-V213 PolarHBondContact O-N 2.98Å; E211-I214 PolarHBondContact O-N 3.39Å; E211-I214 WeakPolarHBondContact OE2-CD1 3.21Å; E211-E215 PolarHBondContact O-N 2.85Å; E211-I239 HydrophobicContact CB-CG2 4.13Å; E211-I239 HydrophobicContact CG-CD1 4.35Å; E211-I239 HydrophobicContact CG-CG2 3.8Å; E211-R240 IonicContact OE2-NH2 3.33Å; E211-Q243 PolarHBondContact O-NE2 3.25Å; E211-Q243 PolarHBondContact OE2-NE2 2.79Å
212	N	94.8	Very high	94.9	Very high	75 Å²	75	52.2 Å²	52.2	40%	0.401	27%	0.268	S	S	.	.	H	α-helix	trans	-63.1	-40.2	172.4	68	-20	0	0	0	112.3	S172 P210 I214 E215 H216	S172-N212 VanDerWaalsContact CB-CG 3.43Å; S172-N212 PolarHBondContact OG-N 3.2Å; P210-N212 VanDerWaalsContact C-N 3.28Å; P210-N212 VanDerWaalsContact CB-OD1 3.23Å; P210-N212 WeakPolarHBondContact CB-OD1 3.32Å; P210-N212 PolarHBondContact O-N 3.41Å; N212-I214 VanDerWaalsContact C-N 3.32Å; N212-E215 PolarHBondContact O-N 2.78Å; N212-H216 PolarHBondContact O-N 2.78Å; N212-H216 VanDerWaalsContact O-N 3.14Å; N212-H216 PolarHBondContact O-ND1 3.06Å
213	V	95.1	Very high	94.8	Very high	57 Å²	57	54.7 Å²	54.7	35%	0.345	29%	0.289	S	S	.	.	H	α-helix	trans	-65.5	-39.9	176.8	176.4	0	0	0	0	110.2	T209 P210 E211 H216 H217	T209-V213 HydrophobicContact CG2-CB 4.01Å; T209-V213 HydrophobicContact CG2-CG1 3.87Å; P210-V213 HydrophobicContact CB-CG2 4.27Å; P210-V213 WeakPolarHBondContact O-CB 3.32Å; P210-V213 PolarHBondContact O-N 3.29Å; E211-V213 PolarHBondContact O-N 2.98Å; V213-H216 PolarHBondContact O-N 2.79Å; V213-H217 PolarHBondContact O-CD2 3.08Å; V213-H217 PolarHBondContact O-N 2.95Å; V213-H217 VanDerWaalsContact O-N 3.14Å
214	I	93.8	Very high	94.8	Very high	6 Å²	6	58 Å²	58	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-46.1	174.8	-63.1	160.1	0	0	0	111	T209 P210 E211 N212 H216 H217 M218 I365 A367	T209-I214 HydrophobicContact CG2-CD1 4.48Å; T209-I214 HydrophobicContact CG2-CG1 3.94Å; T209-I214 VanDerWaalsContact O-CD1 3.31Å; T209-I214 WeakPolarHBondContact O-CD1 3.44Å; P210-I214 PolarHBondContact O-N 3.19Å; P210-I214 VanDerWaalsContact O-N 3.1Å; E211-I214 PolarHBondContact O-N 3.39Å; E211-I214 WeakPolarHBondContact OE2-CD1 3.21Å; N212-I214 VanDerWaalsContact C-N 3.32Å; I214-H216 VanDerWaalsContact C-N 3.32Å; I214-H216 PolarHBondContact O-N 3.35Å; I214-H217 PolarHBondContact O-N 3.18Å; I214-M218 HydrophobicContact CG2-CG 4.45Å; I214-M218 HydrophobicContact CG2-SD 4.02Å; I214-M218 WeakPolarHBondContact O-CG 3.43Å; I214-M218 PolarHBondContact O-N 2.88Å; I214-I365 HydrophobicContact CD1-CG2 4.47Å; I214-I365 HydrophobicContact CG1-CG2 3.77Å; I214-A367 HydrophobicContact CD1-CB 3.33Å; I214-A367 HydrophobicContact CG1-CB 4.09Å
215	E	95	Very high	94.9	Very high	28 Å²	28	55 Å²	55	13%	0.131	29%	0.29	C	S	.	.	H	α-helix	trans	-57.8	-43.5	177	-169.7	-177	140.7	0	0	111.7	E211 N212 H217 M218 Y219 Q243 N246 I247 K250	E211-E215 PolarHBondContact O-N 2.85Å; N212-E215 PolarHBondContact O-N 2.78Å; E215-H217 PolarHBondContact O-N 2.86Å; E215-M218 PolarHBondContact O-N 2.68Å; E215-Y219 WeakPolarHBondContact O-CB 3.38Å; E215-Y219 PolarHBondContact O-N 3.2Å; E215-Q243 HydrophobicContact CB-CB 4.42Å; E215-Q243 HydrophobicContact CB-CG 4.01Å; E215-Q243 HydrophobicContact CG-CB 4.11Å; E215-Q243 HydrophobicContact CG-CG 4.1Å; E215-N246 PolarHBondContact OE2-ND2 3.43Å; E215-I247 HydrophobicContact CG-CD1 3.96Å; E215-I247 HydrophobicContact CG-CG1 4Å; E215-K250 IonicContact OE1-NZ 3.69Å; E215-K250 PolarHBondContact OE1-NZ 3.24Å
216	H	95	Very high	94.9	Very high	124 Å²	124	61.5 Å²	61.5	57%	0.574	30%	0.302	S	S	*	.	H	α-helix	trans	-62.2	-43.5	178.6	-74.7	84.1	0	0	0	112	N212 V213 I214 M218 Y219 D220	N212-H216 PolarHBondContact O-N 2.78Å; N212-H216 VanDerWaalsContact O-N 3.14Å; N212-H216 PolarHBondContact O-ND1 3.06Å; V213-H216 PolarHBondContact O-N 2.79Å; I214-H216 VanDerWaalsContact C-N 3.32Å; I214-H216 PolarHBondContact O-N 3.35Å; H216-M218 PolarHBondContact O-N 2.69Å; H216-Y219 WeakPolarHBondContact O-CB 3.42Å; H216-Y219 PolarHBondContact O-N 3.39Å; H216-D220 PolarHBondContact O-N 3.06Å
217	H	93.8	Very high	94.9	Very high	76 Å²	76	60.7 Å²	60.7	35%	0.352	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-39.4	176.9	-78.5	-65	0	0	0	112.7	V213 I214 E215 A221 I365	V213-H217 PolarHBondContact O-CD2 3.08Å; V213-H217 PolarHBondContact O-N 2.95Å; V213-H217 VanDerWaalsContact O-N 3.14Å; I214-H217 PolarHBondContact O-N 3.18Å; E215-H217 PolarHBondContact O-N 2.86Å; H217-A221 WeakPolarHBondContact O-CB 3.43Å; H217-A221 PolarHBondContact O-N 2.87Å; H217-A221 VanDerWaalsContact O-N 3.14Å; H217-I365 HydrophobicContact CB-CD1 3.62Å; H217-I365 WeakPolarHBondContact CD2-CD1 3.35Å; H217-I365 VanDerWaalsContact CG-CD1 3.45Å
218	M	95.1	Very high	95	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-42.6	174.1	-71.8	176.9	58.1	0	0	111.4	I214 E215 H216 D220 A221 F222 R240 V244 I247 F331	I214-M218 HydrophobicContact CG2-CG 4.45Å; I214-M218 HydrophobicContact CG2-SD 4.02Å; I214-M218 WeakPolarHBondContact O-CG 3.43Å; I214-M218 PolarHBondContact O-N 2.88Å; E215-M218 PolarHBondContact O-N 2.68Å; H216-M218 PolarHBondContact O-N 2.69Å; M218-D220 PolarHBondContact O-N 3.48Å; M218-A221 PolarHBondContact O-N 2.93Å; M218-F222 HydrophobicContact CB-CZ 4.46Å; M218-F222 HydrophobicContact CE-CE2 3.94Å; M218-F222 HydrophobicContact CE-CZ 3.73Å; M218-F222 WeakPolarHBondContact O-CB 3.42Å; M218-F222 VanDerWaalsContact O-CD1 3.27Å; M218-F222 WeakPolarHBondContact O-CD1 3.28Å; M218-F222 WeakPolarHBondContact O-CG 3.46Å; M218-F222 PolarHBondContact O-N 3.15Å; M218-R240 WeakPolarHBondContact SD-CD 3.29Å; M218-V244 HydrophobicContact CE-CG2 3.63Å; M218-I247 HydrophobicContact CB-CD1 3.51Å; M218-I247 HydrophobicContact CE-CD1 4.27Å; M218-F331 HydrophobicContact CE-CE1 4.07Å; M218-F331 HydrophobicContact CG-CE1 3.8Å; M218-F331 HydrophobicContact CG-CZ 3.82Å; M218-F331 HydrophobicContact SD-CE1 4.15Å
219	Y	96.3	Very high	95.2	Very high	81 Å²	81	53.2 Å²	53.2	32%	0.318	26%	0.264	S	S	.	.	H	α-helix	trans	-56.4	-50.9	175.7	178	-91.2	0	0	0	111.6	E215 H216 A221 F222 A223 I247 K250 L251	E215-Y219 WeakPolarHBondContact O-CB 3.38Å; E215-Y219 PolarHBondContact O-N 3.2Å; H216-Y219 WeakPolarHBondContact O-CB 3.42Å; H216-Y219 PolarHBondContact O-N 3.39Å; Y219-A221 PolarHBondContact O-N 3.12Å; Y219-F222 PolarHBondContact O-N 2.83Å; Y219-A223 WeakPolarHBondContact O-CB 3.45Å; Y219-A223 PolarHBondContact O-N 3.36Å; Y219-I247 HydrophobicContact CD2-CG1 4.39Å; Y219-I247 HydrophobicContact CD2-CG2 3.99Å; Y219-K250 HydrophobicContact CD2-CB 4.41Å; Y219-K250 HydrophobicContact CD2-CD 4.19Å; Y219-K250 HydrophobicContact CE2-CB 3.81Å; Y219-K250 HydrophobicContact CE2-CD 4.16Å; Y219-L251 HydrophobicContact CD2-CD2 4.44Å; Y219-L251 HydrophobicContact CD2-CG 4.45Å; Y219-L251 HydrophobicContact CE2-CD2 3.67Å; Y219-L251 HydrophobicContact CE2-CG 4.01Å
220	D	94.7	Very high	95.4	Very high	85 Å²	85	52 Å²	52	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-61.5	-33	179.9	-74.2	-16.6	0	0	0	112.9	H216 M218 K224	H216-D220 PolarHBondContact O-N 3.06Å; M218-D220 PolarHBondContact O-N 3.48Å; D220-K224 WeakPolarHBondContact O-CD 3.5Å; D220-K224 VanDerWaalsContact O-CE 3.23Å; D220-K224 WeakPolarHBondContact O-CE 3.27Å
221	A	94.1	Very high	95.5	Very high	20 Å²	20	49.5 Å²	49.5	17%	0.165	24%	0.24	C	C	.	.	H	α-helix	trans	-73.1	-45.9	176.2	0	0	0	0	0	111.2	H217 M218 Y219 K224 I359	H217-A221 WeakPolarHBondContact O-CB 3.43Å; H217-A221 PolarHBondContact O-N 2.87Å; H217-A221 VanDerWaalsContact O-N 3.14Å; M218-A221 PolarHBondContact O-N 2.93Å; Y219-A221 PolarHBondContact O-N 3.12Å; A221-K224 PolarHBondContact O-N 2.86Å; A221-I359 HydrophobicContact CB-CG2 3.81Å
222	F	96.7	Very high	95.4	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-71.5	-33.5	-175.7	-67.2	4.4	0	0	0	112.1	M218 Y219 K224 V225 L229 V231 V244 I247 L251 I297 F331 I359	M218-F222 HydrophobicContact CB-CZ 4.46Å; M218-F222 HydrophobicContact CE-CE2 3.94Å; M218-F222 HydrophobicContact CE-CZ 3.73Å; M218-F222 WeakPolarHBondContact O-CB 3.42Å; M218-F222 VanDerWaalsContact O-CD1 3.27Å; M218-F222 WeakPolarHBondContact O-CD1 3.28Å; M218-F222 WeakPolarHBondContact O-CG 3.46Å; M218-F222 PolarHBondContact O-N 3.15Å; Y219-F222 PolarHBondContact O-N 2.83Å; F222-K224 PolarHBondContact O-N 2.97Å; F222-K224 VanDerWaalsContact O-N 3.11Å; F222-V225 WeakPolarHBondContact O-CB 3.31Å; F222-V225 PolarHBondContact O-N 3.09Å; F222-V225 VanDerWaalsContact O-N 3.08Å; F222-L229 HydrophobicContact CB-CD2 3.77Å; F222-L229 HydrophobicContact CD1-CD1 4.42Å; F222-L229 HydrophobicContact CD1-CD2 3.48Å; F222-L229 VanDerWaalsContact CD1-CD2 3.48Å; F222-L229 HydrophobicContact CD2-CD2 3.51Å; F222-L229 HydrophobicContact CE1-CD1 4.36Å; F222-L229 HydrophobicContact CE1-CD2 3.88Å; F222-L229 HydrophobicContact CE2-CD2 3.9Å; F222-L229 HydrophobicContact CG-CD2 3.3Å; F222-L229 HydrophobicContact CZ-CD2 4.08Å; F222-V231 HydrophobicContact CE1-CG2 4.31Å; F222-V231 HydrophobicContact CE2-CG2 3.85Å; F222-V231 HydrophobicContact CZ-CG1 4.36Å; F222-V231 HydrophobicContact CZ-CG2 3.51Å; F222-V244 HydrophobicContact CE2-CG2 4.38Å; F222-I247 HydrophobicContact CB-CG2 4.02Å; F222-I247 HydrophobicContact CD2-CB 4.34Å; F222-I247 HydrophobicContact CD2-CD1 4.36Å; F222-I247 HydrophobicContact CD2-CG2 3.58Å; F222-I247 HydrophobicContact CE2-CD1 4.42Å; F222-I247 HydrophobicContact CE2-CG2 4.49Å; F222-I247 HydrophobicContact CG-CG2 4.22Å; F222-L251 HydrophobicContact CB-CD1 3.69Å; F222-I297 HydrophobicContact CD2-CD1 4.42Å; F222-F331 HydrophobicContact CE1-CB 3.76Å; F222-F331 AromaticContact CE1-CD1 3.65Å; F222-F331 HydrophobicContact CE1-CD1 3.65Å; F222-F331 HydrophobicContact CE1-CD2 4.05Å; F222-F331 HydrophobicContact CE1-CE1 4.21Å; F222-F331 AromaticContact CE1-CG 3.55Å; F222-F331 HydrophobicContact CE1-CG 3.55Å; F222-F331 HydrophobicContact CZ-CB 4.28Å; F222-F331 AromaticContact CZ-CD1 3.71Å; F222-F331 HydrophobicContact CZ-CD1 3.71Å; F222-F331 HydrophobicContact CZ-CE1 4.24Å; F222-F331 HydrophobicContact CZ-CG 4.07Å; F222-I359 HydrophobicContact CD1-CD1 4.49Å
223	A	96.3	Very high	95.3	Very high	53 Å²	53	45.8 Å²	45.8	44%	0.438	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.5	177.7	0	0	0	0	0	113.7	Y219 L251	Y219-A223 WeakPolarHBondContact O-CB 3.45Å; Y219-A223 PolarHBondContact O-N 3.36Å; A223-L251 HydrophobicContact CB-CD2 3.98Å
224	K	95.3	Very high	95	Very high	165 Å²	165	45.9 Å²	45.9	72%	0.717	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-11.3	-179.9	-63.5	167.4	-171.2	164.1	0	113.1	D220 A221 F222	D220-K224 WeakPolarHBondContact O-CD 3.5Å; D220-K224 VanDerWaalsContact O-CE 3.23Å; D220-K224 WeakPolarHBondContact O-CE 3.27Å; A221-K224 PolarHBondContact O-N 2.86Å; F222-K224 PolarHBondContact O-N 2.97Å; F222-K224 VanDerWaalsContact O-N 3.11Å
225	V	96.6	Very high	94.7	Very high	15 Å²	15	45.9 Å²	45.9	9%	0.091	22%	0.216	C	C	.	.			trans	-76.2	134.6	-174.7	179	0	0	0	0	110.6	F222 L229 R253 I359	F222-V225 WeakPolarHBondContact O-CB 3.31Å; F222-V225 PolarHBondContact O-N 3.09Å; F222-V225 VanDerWaalsContact O-N 3.08Å; V225-L229 HydrophobicContact CG1-CB 4.19Å; V225-L229 HydrophobicContact CG2-CD1 4.4Å; V225-R253 PolarHBondContact O-NH2 3.19Å; V225-I359 HydrophobicContact CG2-CD1 3.47Å; V225-I359 VanDerWaalsContact CG2-CD1 3.47Å
226	R	93.3	Very high	94.4	Very high	231 Å²	231	46.3 Å²	46.3	87%	0.872	22%	0.222	S	C	*	.			trans	-109	-17.3	179.6	-63.1	-174.2	-179.4	176.7	0.2	114.6	N294	R226-N294 VanDerWaalsContact O-CB 3.22Å; R226-N294 WeakPolarHBondContact O-CB 3.33Å
227	G	95.3	Very high	94.3	Very high	10 Å²	10	40.9 Å²	40.9	10%	0.103	20%	0.198	C	C	.	.	S	Bend	trans	-103.9	-159.4	176.9	0	0	0	0	0	112.5	R253 K293	G227-R253 PolarHBondContact O-NH1 3.32Å; G227-R253 PolarHBondContact O-NH2 3Å; G227-K293 CarbonylContact C-O 3.58Å
228	R	97	Very high	94.4	Very high	6 Å²	6	37.3 Å²	37.3	2%	0.023	18%	0.181	C	C	.	.			trans	-65.3	142.7	167.6	-54.2	-176.5	-63.9	-164.7	7.1	108.2	K293 I298 N323 E325 D328 S329	R228-K293 WeakPolarHBondContact CA-O 3.49Å; R228-K293 HydrophobicContact CG-CB 3.82Å; R228-K293 HydrophobicContact CG-CD 4.42Å; R228-K293 HydrophobicContact CG-CG 4.05Å; R228-K293 PolarHBondContact N-O 3.25Å; R228-K293 VanDerWaalsContact N-O 3.14Å; R228-I298 HydrophobicContact CB-CD1 4.5Å; R228-N323 PolarHBondContact NH2-O 2.86Å; R228-E325 VanDerWaalsContact CZ-CD 3.45Å; R228-E325 IonicContact CZ-OE1 3.14Å; R228-E325 VanDerWaalsContact CZ-OE1 3.29Å; R228-E325 IonicContact CZ-OE2 3.85Å; R228-E325 IonicContact NH1-OE1 2.84Å; R228-E325 PolarHBondContact NH1-OE1 3.38Å; R228-E325 IonicContact NH1-OE2 2.69Å; R228-E325 IonicContact NH2-OE1 3.99Å; R228-E325 PolarHBondContact NH2-OE1 3.2Å; R228-E325 VanDerWaalsContact NH2-OE1 3.14Å; R228-E325 IonicContact NH2-OE2 3.95Å; R228-D328 WeakPolarHBondContact CB-OD1 3.35Å; R228-D328 IonicContact CZ-OD1 2.72Å; R228-D328 IonicContact CZ-OD2 3.55Å; R228-D328 IonicContact NE-OD1 3.99Å; R228-D328 PolarHBondContact NE-OD1 2.92Å; R228-D328 IonicContact NE-OD2 2.92Å; R228-D328 IonicContact NH2-OD1 3.9Å; R228-D328 PolarHBondContact NH2-OD1 2.93Å; R228-D328 IonicContact NH2-OD2 2.75Å; R228-D328 PolarHBondContact NH2-OD2 2.72Å; R228-S329 PolarHBondContact O-N 3.3Å
229	L	98	Very high	94.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.5	175.4	172.1	56.1	0	0	0	109.3	F222 V225 V231 V296 I297 I298 S329 F331 I359	F222-L229 HydrophobicContact CB-CD2 3.77Å; F222-L229 HydrophobicContact CD1-CD1 4.42Å; F222-L229 HydrophobicContact CD1-CD2 3.48Å; F222-L229 VanDerWaalsContact CD1-CD2 3.48Å; F222-L229 HydrophobicContact CD2-CD2 3.51Å; F222-L229 HydrophobicContact CE1-CD1 4.36Å; F222-L229 HydrophobicContact CE1-CD2 3.88Å; F222-L229 HydrophobicContact CE2-CD2 3.9Å; F222-L229 HydrophobicContact CG-CD2 3.3Å; F222-L229 HydrophobicContact CZ-CD2 4.08Å; V225-L229 HydrophobicContact CG1-CB 4.19Å; V225-L229 HydrophobicContact CG2-CD1 4.4Å; L229-V231 HydrophobicContact CD1-CG2 4.21Å; L229-V231 HydrophobicContact CD2-CG2 4.25Å; L229-V231 HydrophobicContact CG-CG2 3.9Å; L229-V296 PolarHBondContact N-O 3.48Å; L229-I297 HydrophobicContact CB-CG1 3.98Å; L229-I297 HydrophobicContact CD2-CD1 4.11Å; L229-I297 HydrophobicContact CD2-CG1 3.95Å; L229-I297 HydrophobicContact CG-CG1 4.16Å; L229-I297 CarbonylContact O-C 3.56Å; L229-I297 VanDerWaalsContact O-CA 3.24Å; L229-I297 WeakPolarHBondContact O-CA 3.45Å; L229-I298 PolarHBondContact O-N 3.14Å; L229-S329 CarbonylContact C-O 3.59Å; L229-S329 WeakPolarHBondContact CA-O 3.44Å; L229-F331 HydrophobicContact CD1-CB 4.31Å; L229-I359 HydrophobicContact CD1-CD1 3.72Å
230	I	97.5	Very high	94.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.2	175.4	-58.8	167.5	0	0	0	107.5	I298 A300 L311 M314 I324 D328 S329 V330 F331	I230-I298 CarbonylContact C-O 3.58Å; I230-I298 WeakPolarHBondContact CA-O 3.42Å; I230-I298 HydrophobicContact CG1-CD1 4.21Å; I230-A300 HydrophobicContact CG2-CB 4.11Å; I230-L311 HydrophobicContact CG2-CD2 3.69Å; I230-M314 HydrophobicContact CG2-CE 4.07Å; I230-I324 HydrophobicContact CD1-CD1 3.43Å; I230-I324 VanDerWaalsContact CD1-CD1 3.43Å; I230-D328 HydrophobicContact CD1-CB 4.43Å; I230-S329 PolarHBondContact N-O 3.24Å; I230-V330 HydrophobicContact CB-CG2 4.25Å; I230-V330 HydrophobicContact CD1-CG2 4.49Å; I230-V330 CarbonylContact O-C 3.45Å; I230-V330 VanDerWaalsContact O-CA 3.3Å; I230-V330 WeakPolarHBondContact O-CA 3.22Å; I230-F331 PolarHBondContact O-N 3.5Å
231	V	96.6	Very high	94.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.2	177.3	-176.9	0	0	0	0	108.4	F222 L229 V244 I297 I298 I299 A300 F331 A333	F222-V231 HydrophobicContact CE1-CG2 4.31Å; F222-V231 HydrophobicContact CE2-CG2 3.85Å; F222-V231 HydrophobicContact CZ-CG1 4.36Å; F222-V231 HydrophobicContact CZ-CG2 3.51Å; L229-V231 HydrophobicContact CD1-CG2 4.21Å; L229-V231 HydrophobicContact CD2-CG2 4.25Å; L229-V231 HydrophobicContact CG-CG2 3.9Å; V231-V244 HydrophobicContact CG1-CG2 3.87Å; V231-V244 HydrophobicContact CG2-CG1 4.44Å; V231-I297 HydrophobicContact CG2-CG2 3.94Å; V231-I298 PolarHBondContact N-O 3.23Å; V231-I299 CarbonylContact O-C 3.59Å; V231-I299 VanDerWaalsContact O-CA 3.27Å; V231-I299 WeakPolarHBondContact O-CA 3.5Å; V231-A300 PolarHBondContact O-N 2.87Å; V231-F331 WeakPolarHBondContact CA-O 3.29Å; V231-F331 HydrophobicContact CG1-CD1 4.25Å; V231-A333 HydrophobicContact CG1-CB 4.01Å
232	S	93.9	Very high	94.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.5	173.7	157.9	0	0	0	0	110.3	P307 F331 A333	S232-P307 WeakPolarHBondContact CB-O 3.31Å; S232-P307 VanDerWaalsContact OG-CA 3.25Å; S232-P307 WeakPolarHBondContact OG-CA 3.21Å; S232-P307 WeakPolarHBondContact OG-CB 3.39Å; S232-P307 PolarHBondContact OG-O 3.47Å; S232-F331 PolarHBondContact N-O 3.44Å; S232-A333 WeakPolarHBondContact O-CA 3.42Å; S232-A333 VanDerWaalsContact O-CB 3.31Å; S232-A333 WeakPolarHBondContact O-CB 3.42Å; S232-A333 PolarHBondContact O-N 2.6Å
233	C	91.4	Very high	94.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.			trans	-150.7	169.1	174.1	63.2	0	0	0	0	108.9	R240 T301 A333	C233-R240 HydrophobicContact CB-CB 4.38Å; C233-R240 HydrophobicContact CB-CG 3.87Å; C233-T301 WeakPolarHBondContact O-CG2 3.34Å; C233-A333 HydrophobicContact CB-CB 4.19Å
234	Y	89.2	Confident	94.5	Very high	60 Å²	60	28.2 Å²	28.2	24%	0.235	13%	0.126	C	C	.	.			trans	-63.1	139	169.3	-66.1	-80.4	0	0	0	110.7	S236 N237 P307 I334 M340	Y234-S236 PolarHBondContact O-N 3.43Å; Y234-S236 VanDerWaalsContact O-N 3.12Å; Y234-N237 PolarHBondContact O-N 2.96Å; Y234-P307 HydrophobicContact CD1-CG 4.21Å; Y234-P307 VanDerWaalsContact CE1-CD 3.45Å; Y234-P307 HydrophobicContact CE1-CG 3.82Å; Y234-P307 HydrophobicContact CE2-CG 4.34Å; Y234-I334 HydrophobicContact CD2-CG2 3.89Å; Y234-I334 HydrophobicContact CE2-CB 4.16Å; Y234-I334 HydrophobicContact CE2-CG2 3.8Å; Y234-M340 PolarHBondContact OH-SD 3.45Å; Y234-M340 VanDerWaalsContact OH-SD 3.38Å
235	A	88.7	Confident	94.6	Very high	6 Å²	6	20.3 Å²	20.3	5%	0.05	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.7	178.4	0	0	0	0	0	113.7	F238 L262 S265 T301 G305	A235-F238 WeakPolarHBondContact O-CE1 3.41Å; A235-L262 HydrophobicContact CB-CB 3.99Å; A235-L262 HydrophobicContact CB-CD1 4.36Å; A235-S265 PolarHBondContact O-OG 2.97Å; A235-T301 HydrophobicContact CB-CG2 4.24Å; A235-G305 PolarHBondContact N-O 2.91Å; A235-G305 VanDerWaalsContact N-O 3.13Å
236	S	87.6	Confident	94.7	Very high	36 Å²	36	21.8 Å²	21.8	25%	0.252	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-4.5	179.5	60.6	0	0	0	0	114.2	H78 Y234 F238	H78-S236 VanDerWaalsContact CD2-CB 3.42Å; H78-S236 WeakPolarHBondContact CD2-CB 3.26Å; Y234-S236 PolarHBondContact O-N 3.43Å; Y234-S236 VanDerWaalsContact O-N 3.12Å; S236-F238 PolarHBondContact O-N 2.84Å; S236-F238 VanDerWaalsContact O-N 3.15Å
237	N	93.1	Very high	94.9	Very high	11 Å²	11	10.8 Å²	10.8	6%	0.059	6%	0.057	C	C	.	.			trans	-88.3	80.8	179	-167.9	-29.4	0	0	0	110.8	S145 Y234 I239 R240 I241	S145-N237 CarbonylContact O-C 3.59Å; Y234-N237 PolarHBondContact O-N 2.96Å; N237-I239 VanDerWaalsContact C-N 3.31Å; N237-I239 PolarHBondContact O-N 3.08Å; N237-R240 HydrophobicContact CB-CB 4.19Å; N237-R240 PolarHBondContact O-N 3.26Å; N237-R240 VanDerWaalsContact OD1-CB 3.31Å; N237-R240 WeakPolarHBondContact OD1-CB 3.21Å; N237-R240 PolarHBondContact OD1-N 3.43Å; N237-I241 WeakPolarHBondContact O-CG1 3.43Å; N237-I241 PolarHBondContact O-N 3.37Å; N237-I241 VanDerWaalsContact O-N 3.11Å
238	F	95.5	Very high	95	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-71.1	-28.8	-174.7	-73.4	16.6	0	0	0	112.3	L101 S145 I146 P147 Y177 A235 S236 R240 I241 Q242 A269 F275	L101-F238 HydrophobicContact CD1-CE2 4.23Å; L101-F238 HydrophobicContact CD2-CD2 4.29Å; L101-F238 HydrophobicContact CD2-CE2 3.79Å; S145-F238 PolarHBondContact O-N 2.74Å; I146-F238 HydrophobicContact CD1-CE2 4.49Å; I146-F238 HydrophobicContact CD1-CZ 4.37Å; I146-F238 HydrophobicContact CG1-CD2 4.2Å; I146-F238 HydrophobicContact CG1-CE2 4.25Å; I146-F238 HydrophobicContact CG1-CG 4.35Å; P147-F238 VanDerWaalsContact CD-CD2 3.41Å; P147-F238 HydrophobicContact CG-CD2 3.83Å; Y177-F238 WeakPolarHBondContact OH-CB 3.22Å; A235-F238 WeakPolarHBondContact O-CE1 3.41Å; S236-F238 PolarHBondContact O-N 2.84Å; S236-F238 VanDerWaalsContact O-N 3.15Å; F238-R240 VanDerWaalsContact C-N 3.31Å; F238-R240 PolarHBondContact O-N 3.12Å; F238-I241 HydrophobicContact CD1-CD1 4.22Å; F238-I241 PolarHBondContact O-N 3.16Å; F238-Q242 WeakPolarHBondContact O-CB 3.49Å; F238-Q242 PolarHBondContact O-N 3.41Å; F238-A269 HydrophobicContact CD2-CB 3.98Å; F238-A269 HydrophobicContact CE2-CB 3.22Å; F238-A269 HydrophobicContact CZ-CB 3.82Å; F238-F275 HydrophobicContact CB-CE1 4.06Å; F238-F275 HydrophobicContact CB-CZ 3.75Å; F238-F275 HydrophobicContact CD1-CZ 4.04Å; F238-F275 AromaticContact CD2-CE2 3.99Å; F238-F275 HydrophobicContact CD2-CE2 3.99Å; F238-F275 AromaticContact CD2-CZ 3.77Å; F238-F275 HydrophobicContact CD2-CZ 3.77Å; F238-F275 HydrophobicContact CE2-CE2 4.28Å; F238-F275 HydrophobicContact CE2-CZ 4.42Å; F238-F275 HydrophobicContact CG-CE1 4.38Å; F238-F275 HydrophobicContact CG-CE2 4.24Å; F238-F275 AromaticContact CG-CZ 3.58Å; F238-F275 HydrophobicContact CG-CZ 3.58Å; F238-F275 WeakPolarHBondContact O-CE1 3.49Å
239	I	95.6	Very high	95	Very high	6 Å²	6	12.1 Å²	12.1	3%	0.031	7%	0.066	C	C	.	.	H	α-helix	trans	-57.9	-49.5	171.2	-62.9	-179.3	0	0	0	109.6	H144 S145 L173 Y177 E211 N237 I241 Q242 Q243	H144-I239 VanDerWaalsContact O-CD1 3.28Å; H144-I239 WeakPolarHBondContact O-CD1 3.36Å; S145-I239 PolarHBondContact O-N 3.45Å; L173-I239 HydrophobicContact CD1-CD1 3.48Å; L173-I239 VanDerWaalsContact CD1-CD1 3.48Å; L173-I239 HydrophobicContact CD2-CD1 4.28Å; L173-I239 HydrophobicContact CD2-CG2 4.43Å; Y177-I239 HydrophobicContact CD1-CD1 3.78Å; Y177-I239 HydrophobicContact CD1-CG1 3.65Å; Y177-I239 HydrophobicContact CE1-CD1 3.97Å; Y177-I239 HydrophobicContact CE1-CG1 3.34Å; Y177-I239 HydrophobicContact CG-CD1 4.47Å; Y177-I239 HydrophobicContact CG-CG1 4.37Å; E211-I239 HydrophobicContact CB-CG2 4.13Å; E211-I239 HydrophobicContact CG-CD1 4.35Å; E211-I239 HydrophobicContact CG-CG2 3.8Å; N237-I239 VanDerWaalsContact C-N 3.31Å; N237-I239 PolarHBondContact O-N 3.08Å; I239-I241 PolarHBondContact O-N 3.07Å; I239-Q242 PolarHBondContact O-N 2.83Å; I239-Q243 HydrophobicContact CG2-CG 4.43Å; I239-Q243 WeakPolarHBondContact O-CG 3.34Å; I239-Q243 PolarHBondContact O-N 2.72Å
240	R	94.4	Very high	95	Very high	9 Å²	9	17.8 Å²	17.8	3%	0.034	9%	0.09	C	C	.	.	H	α-helix	trans	-64.7	-41	-178.5	-168.6	54.3	54.3	78.9	3.5	112.1	E211 M218 C233 N237 F238 Q243 V244 A333	E211-R240 IonicContact OE2-NH2 3.33Å; M218-R240 WeakPolarHBondContact SD-CD 3.29Å; C233-R240 HydrophobicContact CB-CB 4.38Å; C233-R240 HydrophobicContact CB-CG 3.87Å; N237-R240 HydrophobicContact CB-CB 4.19Å; N237-R240 PolarHBondContact O-N 3.26Å; N237-R240 VanDerWaalsContact OD1-CB 3.31Å; N237-R240 WeakPolarHBondContact OD1-CB 3.21Å; N237-R240 PolarHBondContact OD1-N 3.43Å; F238-R240 VanDerWaalsContact C-N 3.31Å; F238-R240 PolarHBondContact O-N 3.12Å; R240-Q243 VanDerWaalsContact CD-OE1 3.26Å; R240-Q243 PolarHBondContact O-N 2.9Å; R240-V244 WeakPolarHBondContact O-CG2 3.47Å; R240-V244 PolarHBondContact O-N 3.35Å; R240-A333 HydrophobicContact CG-CB 3.76Å; R240-A333 VanDerWaalsContact NH1-C 3.27Å; R240-A333 PolarHBondContact NH1-O 3.34Å
241	I	96	Very high	95	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.4	-48.3	174.4	-65.4	166.2	0	0	0	110	N237 F238 I239 Q243 V244 L245 F257 L262 F266 F275 I299	N237-I241 WeakPolarHBondContact O-CG1 3.43Å; N237-I241 PolarHBondContact O-N 3.37Å; N237-I241 VanDerWaalsContact O-N 3.11Å; F238-I241 HydrophobicContact CD1-CD1 4.22Å; F238-I241 PolarHBondContact O-N 3.16Å; I239-I241 PolarHBondContact O-N 3.07Å; I241-Q243 PolarHBondContact O-N 3.04Å; I241-V244 PolarHBondContact O-N 3.48Å; I241-V244 VanDerWaalsContact O-N 3.16Å; I241-L245 HydrophobicContact CG2-CD1 4.24Å; I241-L245 HydrophobicContact CG2-CG 4.44Å; I241-L245 WeakPolarHBondContact O-CG 3.42Å; I241-L245 PolarHBondContact O-N 3.41Å; I241-F257 HydrophobicContact CG2-CE1 3.99Å; I241-F257 HydrophobicContact CG2-CZ 4.3Å; I241-L262 HydrophobicContact CD1-CD1 3.6Å; I241-L262 HydrophobicContact CG1-CD1 4.4Å; I241-F266 HydrophobicContact CG2-CD2 3.99Å; I241-F266 HydrophobicContact CG2-CE2 4.07Å; I241-F275 HydrophobicContact CB-CE1 3.85Å; I241-F275 HydrophobicContact CB-CZ 4.13Å; I241-F275 HydrophobicContact CD1-CZ 4.41Å; I241-F275 HydrophobicContact CG2-CD1 4.38Å; I241-F275 HydrophobicContact CG2-CE1 3.63Å; I241-F275 HydrophobicContact CG2-CZ 3.9Å; I241-I299 HydrophobicContact CG2-CD1 4.18Å
242	Q	96.5	Very high	95	Very high	30 Å²	30	26 Å²	26	14%	0.14	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-43.1	178.5	-176.4	63.2	63.4	0	0	112.2	F238 I239 V244 L245 N246 F275 D276	F238-Q242 WeakPolarHBondContact O-CB 3.49Å; F238-Q242 PolarHBondContact O-N 3.41Å; I239-Q242 PolarHBondContact O-N 2.83Å; Q242-V244 VanDerWaalsContact C-N 3.33Å; Q242-V244 PolarHBondContact O-N 3.04Å; Q242-L245 WeakPolarHBondContact O-CB 3.48Å; Q242-L245 PolarHBondContact O-N 3.04Å; Q242-N246 PolarHBondContact NE2-OD1 3.14Å; Q242-N246 PolarHBondContact O-N 2.91Å; Q242-N246 PolarHBondContact O-OD1 3.39Å; Q242-F275 HydrophobicContact CB-CD1 4.18Å; Q242-F275 HydrophobicContact CB-CE1 4.31Å; Q242-F275 VanDerWaalsContact OE1-CA 3.26Å; Q242-D276 PolarHBondContact NE2-O 3.22Å
243	Q	96.2	Very high	95.1	Very high	7 Å²	7	26.6 Å²	26.6	3%	0.033	14%	0.136	C	C	.	.	H	α-helix	trans	-59.3	-43.8	175.7	-71.5	166.9	-21.4	0	0	111.5	E211 E215 I239 R240 I241 L245 N246 I247	E211-Q243 PolarHBondContact O-NE2 3.25Å; E211-Q243 PolarHBondContact OE2-NE2 2.79Å; E215-Q243 HydrophobicContact CB-CB 4.42Å; E215-Q243 HydrophobicContact CB-CG 4.01Å; E215-Q243 HydrophobicContact CG-CB 4.11Å; E215-Q243 HydrophobicContact CG-CG 4.1Å; I239-Q243 HydrophobicContact CG2-CG 4.43Å; I239-Q243 WeakPolarHBondContact O-CG 3.34Å; I239-Q243 PolarHBondContact O-N 2.72Å; R240-Q243 VanDerWaalsContact CD-OE1 3.26Å; R240-Q243 PolarHBondContact O-N 2.9Å; I241-Q243 PolarHBondContact O-N 3.04Å; Q243-L245 VanDerWaalsContact C-N 3.34Å; Q243-L245 PolarHBondContact O-N 3.1Å; Q243-N246 PolarHBondContact O-N 3.35Å; Q243-I247 WeakPolarHBondContact O-CB 3.37Å; Q243-I247 WeakPolarHBondContact O-CD1 3.43Å; Q243-I247 WeakPolarHBondContact O-CG1 3.49Å; Q243-I247 PolarHBondContact O-N 3.34Å
244	V	97.2	Very high	95.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62	-42.3	175.8	176.5	0	0	0	0	110.9	M218 F222 V231 R240 I241 Q242 I247 A248 I297 I299	M218-V244 HydrophobicContact CE-CG2 3.63Å; F222-V244 HydrophobicContact CE2-CG2 4.38Å; V231-V244 HydrophobicContact CG1-CG2 3.87Å; V231-V244 HydrophobicContact CG2-CG1 4.44Å; R240-V244 WeakPolarHBondContact O-CG2 3.47Å; R240-V244 PolarHBondContact O-N 3.35Å; I241-V244 PolarHBondContact O-N 3.48Å; I241-V244 VanDerWaalsContact O-N 3.16Å; Q242-V244 VanDerWaalsContact C-N 3.33Å; Q242-V244 PolarHBondContact O-N 3.04Å; V244-I247 PolarHBondContact O-N 3.44Å; V244-A248 WeakPolarHBondContact O-CB 3.2Å; V244-A248 PolarHBondContact O-N 3.37Å; V244-I297 HydrophobicContact CG1-CG2 3.77Å; V244-I299 HydrophobicContact CB-CD1 3.97Å; V244-I299 HydrophobicContact CG1-CD1 3.71Å; V244-I299 HydrophobicContact CG1-CG1 3.91Å
245	L	97.8	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.9	-44.3	175.9	-63.8	174.8	0	0	0	112	I241 Q242 Q243 I247 A248 S249 V255 F257 F266 F275 I277 L281 L282	I241-L245 HydrophobicContact CG2-CD1 4.24Å; I241-L245 HydrophobicContact CG2-CG 4.44Å; I241-L245 WeakPolarHBondContact O-CG 3.42Å; I241-L245 PolarHBondContact O-N 3.41Å; Q242-L245 WeakPolarHBondContact O-CB 3.48Å; Q242-L245 PolarHBondContact O-N 3.04Å; Q243-L245 VanDerWaalsContact C-N 3.34Å; Q243-L245 PolarHBondContact O-N 3.1Å; L245-I247 PolarHBondContact O-N 3.48Å; L245-A248 PolarHBondContact O-N 3.47Å; L245-S249 PolarHBondContact O-N 3.14Å; L245-V255 HydrophobicContact CD2-CB 4.01Å; L245-V255 HydrophobicContact CD2-CG1 3.88Å; L245-V255 HydrophobicContact CD2-CG2 3.98Å; L245-F257 HydrophobicContact CD2-CZ 4.35Å; L245-F266 HydrophobicContact CD1-CE2 4.04Å; L245-F266 HydrophobicContact CD1-CZ 4.4Å; L245-F275 HydrophobicContact CD1-CD1 4.11Å; L245-I277 HydrophobicContact CD1-CG1 4.21Å; L245-L281 HydrophobicContact CB-CD2 4.08Å; L245-L281 HydrophobicContact CD2-CD2 4.01Å; L245-L282 HydrophobicContact CD2-CD2 3.82Å
246	N	97.1	Very high	96.3	Very high	46 Å²	46	26.2 Å²	26.2	25%	0.246	14%	0.135	C	C	.	.	H	α-helix	trans	-59	-48.7	176.9	-68.1	-10.2	0	0	0	111.1	E215 Q242 Q243 S249 K250	E215-N246 PolarHBondContact OE2-ND2 3.43Å; Q242-N246 PolarHBondContact NE2-OD1 3.14Å; Q242-N246 PolarHBondContact O-N 2.91Å; Q242-N246 PolarHBondContact O-OD1 3.39Å; Q243-N246 PolarHBondContact O-N 3.35Å; N246-S249 PolarHBondContact O-N 3.49Å; N246-K250 WeakPolarHBondContact O-CG 2.7Å; N246-K250 PolarHBondContact O-N 3.2Å
247	I	97.7	Very high	96.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.6	-43.8	179.9	-65.2	162.2	0	0	0	110.6	E215 M218 Y219 F222 Q243 V244 L245 S249 K250 L251	E215-I247 HydrophobicContact CG-CD1 3.96Å; E215-I247 HydrophobicContact CG-CG1 4Å; M218-I247 HydrophobicContact CB-CD1 3.51Å; M218-I247 HydrophobicContact CE-CD1 4.27Å; Y219-I247 HydrophobicContact CD2-CG1 4.39Å; Y219-I247 HydrophobicContact CD2-CG2 3.99Å; F222-I247 HydrophobicContact CB-CG2 4.02Å; F222-I247 HydrophobicContact CD2-CB 4.34Å; F222-I247 HydrophobicContact CD2-CD1 4.36Å; F222-I247 HydrophobicContact CD2-CG2 3.58Å; F222-I247 HydrophobicContact CE2-CD1 4.42Å; F222-I247 HydrophobicContact CE2-CG2 4.49Å; F222-I247 HydrophobicContact CG-CG2 4.22Å; Q243-I247 WeakPolarHBondContact O-CB 3.37Å; Q243-I247 WeakPolarHBondContact O-CD1 3.43Å; Q243-I247 WeakPolarHBondContact O-CG1 3.49Å; Q243-I247 PolarHBondContact O-N 3.34Å; V244-I247 PolarHBondContact O-N 3.44Å; L245-I247 PolarHBondContact O-N 3.48Å; I247-S249 VanDerWaalsContact C-N 3.3Å; I247-S249 PolarHBondContact O-N 2.98Å; I247-K250 PolarHBondContact O-N 3.33Å; I247-K250 VanDerWaalsContact O-N 3.14Å; I247-L251 HydrophobicContact CG2-CD1 3.66Å; I247-L251 HydrophobicContact CG2-CG 4.18Å; I247-L251 WeakPolarHBondContact O-CB 3.42Å; I247-L251 WeakPolarHBondContact O-CG 3.19Å; I247-L251 PolarHBondContact O-N 3.43Å
248	A	98	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56.8	-46	177.5	0	0	0	0	0	111.3	V244 L245 K250 L251 N252 R253 V255 L281 I297	V244-A248 WeakPolarHBondContact O-CB 3.2Å; V244-A248 PolarHBondContact O-N 3.37Å; L245-A248 PolarHBondContact O-N 3.47Å; A248-K250 PolarHBondContact O-N 2.84Å; A248-L251 CarbonylContact O-C 3.56Å; A248-L251 PolarHBondContact O-N 2.83Å; A248-N252 PolarHBondContact O-N 3.4Å; A248-R253 CarbonylContact C-O 3.49Å; A248-R253 HydrophobicContact CB-CB 4.5Å; A248-R253 WeakPolarHBondContact CB-O 3.25Å; A248-R253 PolarHBondContact O-N 3.15Å; A248-V255 HydrophobicContact CB-CG2 3.24Å; A248-L281 HydrophobicContact CB-CD1 4.16Å; A248-I297 HydrophobicContact CB-CD1 3.7Å
249	S	97.4	Very high	96.5	Very high	44 Å²	44	25.7 Å²	25.7	31%	0.308	13%	0.132	S	C	.	.	H	α-helix	trans	-61.9	-42.7	175.5	-171.7	0	0	0	0	112.6	L245 N246 I247 L251 N252	L245-S249 PolarHBondContact O-N 3.14Å; N246-S249 PolarHBondContact O-N 3.49Å; I247-S249 VanDerWaalsContact C-N 3.3Å; I247-S249 PolarHBondContact O-N 2.98Å; S249-L251 VanDerWaalsContact C-N 3.29Å; S249-L251 PolarHBondContact O-N 2.91Å; S249-N252 PolarHBondContact O-N 2.99Å
250	K	97.3	Very high	96.1	Very high	118 Å²	118	35.1 Å²	35.1	51%	0.513	17%	0.167	S	C	.	.	H	α-helix	trans	-65.3	-33.2	178.6	-70.3	167.1	-177	168.5	0	112.1	E215 Y219 N246 I247 A248	E215-K250 IonicContact OE1-NZ 3.69Å; E215-K250 PolarHBondContact OE1-NZ 3.24Å; Y219-K250 HydrophobicContact CD2-CB 4.41Å; Y219-K250 HydrophobicContact CD2-CD 4.19Å; Y219-K250 HydrophobicContact CE2-CB 3.81Å; Y219-K250 HydrophobicContact CE2-CD 4.16Å; N246-K250 WeakPolarHBondContact O-CG 2.7Å; N246-K250 PolarHBondContact O-N 3.2Å; I247-K250 PolarHBondContact O-N 3.33Å; I247-K250 VanDerWaalsContact O-N 3.14Å; A248-K250 PolarHBondContact O-N 2.84Å
251	L	97.3	Very high	95.6	Very high	38 Å²	38	36.6 Å²	36.6	20%	0.199	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	5.7	-179.5	-63.1	179.9	0	0	0	113.7	Y219 F222 A223 I247 A248 S249 R253	Y219-L251 HydrophobicContact CD2-CD2 4.44Å; Y219-L251 HydrophobicContact CD2-CG 4.45Å; Y219-L251 HydrophobicContact CE2-CD2 3.67Å; Y219-L251 HydrophobicContact CE2-CG 4.01Å; F222-L251 HydrophobicContact CB-CD1 3.69Å; A223-L251 HydrophobicContact CB-CD2 3.98Å; I247-L251 HydrophobicContact CG2-CD1 3.66Å; I247-L251 HydrophobicContact CG2-CG 4.18Å; I247-L251 WeakPolarHBondContact O-CB 3.42Å; I247-L251 WeakPolarHBondContact O-CG 3.19Å; I247-L251 PolarHBondContact O-N 3.43Å; A248-L251 CarbonylContact O-C 3.56Å; A248-L251 PolarHBondContact O-N 2.83Å; S249-L251 VanDerWaalsContact C-N 3.29Å; S249-L251 PolarHBondContact O-N 2.91Å; L251-R253 HydrophobicContact CB-CG 4.26Å; L251-R253 PolarHBondContact O-N 2.98Å
252	N	96.3	Very high	95.4	Very high	135 Å²	135	36.6 Å²	36.6	72%	0.722	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	37.7	-174.9	-59.7	-57.1	0	0	0	113.6	A248 S249	A248-N252 PolarHBondContact O-N 3.4Å; S249-N252 PolarHBondContact O-N 2.99Å
253	R	97.8	Very high	95.2	Very high	12 Å²	12	38.6 Å²	38.6	5%	0.045	19%	0.188	C	C	.	.			trans	-102.5	136.3	173.7	-65.1	-176.8	169.9	-109.5	1.6	110.1	V225 G227 A248 L251 L281 N294 E295 V296 I297	V225-R253 PolarHBondContact O-NH2 3.19Å; G227-R253 PolarHBondContact O-NH1 3.32Å; G227-R253 PolarHBondContact O-NH2 3Å; A248-R253 CarbonylContact C-O 3.49Å; A248-R253 HydrophobicContact CB-CB 4.5Å; A248-R253 WeakPolarHBondContact CB-O 3.25Å; A248-R253 PolarHBondContact O-N 3.15Å; L251-R253 HydrophobicContact CB-CG 4.26Å; L251-R253 PolarHBondContact O-N 2.98Å; R253-L281 VanDerWaalsContact O-CD1 3.23Å; R253-L281 WeakPolarHBondContact O-CD1 3.46Å; R253-N294 PolarHBondContact NE-O 3.32Å; R253-N294 PolarHBondContact NH1-O 3.48Å; R253-N294 PolarHBondContact NH2-O 3.02Å; R253-E295 CarbonylContact C-O 3.14Å; R253-E295 VanDerWaalsContact CA-O 3.23Å; R253-E295 WeakPolarHBondContact CA-O 3.43Å; R253-V296 PolarHBondContact NH1-O 2.88Å; R253-V296 VanDerWaalsContact NH1-O 3.1Å; R253-I297 HydrophobicContact CB-CD1 4.02Å; R253-I297 HydrophobicContact CB-CG1 4.11Å
254	K	98.3	Very high	95	Very high	58 Å²	58	40.5 Å²	40.5	25%	0.252	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	151.6	168.3	-58.9	-57.6	-175.1	-177.4	0	110.4	D280 L281 I283 Y291 E295 I297	K254-D280 WeakPolarHBondContact CD-O 3.4Å; K254-D280 WeakPolarHBondContact CE-O 3.39Å; K254-D280 PolarHBondContact NZ-O 3.36Å; K254-L281 CarbonylContact C-O 3.6Å; K254-L281 WeakPolarHBondContact CA-O 3.46Å; K254-I283 HydrophobicContact CB-CD1 3.7Å; K254-I283 HydrophobicContact CB-CG1 3.96Å; K254-I283 HydrophobicContact CB-CG2 3.97Å; K254-I283 HydrophobicContact CD-CG2 4.22Å; K254-I283 HydrophobicContact CG-CD1 4.41Å; K254-I283 HydrophobicContact CG-CG2 4.02Å; K254-Y291 HydrophobicContact CG-CD1 3.97Å; K254-Y291 HydrophobicContact CG-CE1 3.81Å; K254-E295 PolarHBondContact N-O 2.97Å; K254-I297 PolarHBondContact O-N 2.79Å
255	V	98.2	Very high	94.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131.1	179.4	-176.5	0	0	0	0	110.4	L245 A248 F257 L281 L282 I283 I297 I299	L245-V255 HydrophobicContact CD2-CB 4.01Å; L245-V255 HydrophobicContact CD2-CG1 3.88Å; L245-V255 HydrophobicContact CD2-CG2 3.98Å; A248-V255 HydrophobicContact CB-CG2 3.24Å; V255-F257 HydrophobicContact CG1-CE2 4.36Å; V255-F257 HydrophobicContact CG1-CZ 4.36Å; V255-L281 HydrophobicContact CG2-CD1 4.36Å; V255-L281 HydrophobicContact CG2-CG 4.25Å; V255-L281 PolarHBondContact N-O 2.85Å; V255-L282 HydrophobicContact CB-CD2 4.02Å; V255-L282 HydrophobicContact CG1-CD2 4.44Å; V255-L282 WeakPolarHBondContact O-CA 3.4Å; V255-I283 PolarHBondContact O-N 3.3Å; V255-I297 WeakPolarHBondContact CA-O 3.36Å; V255-I297 HydrophobicContact CG2-CB 4.4Å; V255-I299 HydrophobicContact CG1-CD1 4.01Å; V255-I299 HydrophobicContact CG1-CG1 4.13Å
256	S	97	Very high	94.6	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	154.4	166.9	-172.5	0	0	0	0	110.4	I283 I285 I297 I298 I299	S256-I283 PolarHBondContact OG-O 3.47Å; S256-I285 WeakPolarHBondContact OG-CA 3.19Å; S256-I285 WeakPolarHBondContact OG-CB 3.38Å; S256-I285 WeakPolarHBondContact OG-CD1 3.47Å; S256-I285 PolarHBondContact OG-N 3.27Å; S256-I285 VanDerWaalsContact OG-N 3.16Å; S256-I297 PolarHBondContact N-O 2.98Å; S256-I298 CarbonylContact O-C 3.47Å; S256-I298 WeakPolarHBondContact O-CA 3.48Å; S256-I299 PolarHBondContact O-N 2.92Å
257	F	95.6	Very high	94.5	Very high	19 Å²	19	42 Å²	42	8%	0.083	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	146.2	173.6	-62.9	-89.9	0	0	0	109.6	I241 L245 V255 L262 E263 F266 L282 I299	I241-F257 HydrophobicContact CG2-CE1 3.99Å; I241-F257 HydrophobicContact CG2-CZ 4.3Å; L245-F257 HydrophobicContact CD2-CZ 4.35Å; V255-F257 HydrophobicContact CG1-CE2 4.36Å; V255-F257 HydrophobicContact CG1-CZ 4.36Å; F257-L262 HydrophobicContact CB-CD2 4.33Å; F257-L262 HydrophobicContact CD1-CD1 4.11Å; F257-L262 HydrophobicContact CD1-CD2 3.84Å; F257-L262 HydrophobicContact CD1-CG 3.83Å; F257-L262 HydrophobicContact CE1-CD1 4.46Å; F257-E263 HydrophobicContact CB-CG 3.79Å; F257-F266 HydrophobicContact CD1-CG 4.5Å; F257-F266 HydrophobicContact CD2-CD1 4.16Å; F257-F266 HydrophobicContact CD2-CE1 4.15Å; F257-F266 HydrophobicContact CE1-CD1 4.26Å; F257-F266 AromaticContact CE1-CD2 3.86Å; F257-F266 HydrophobicContact CE1-CD2 3.86Å; F257-F266 HydrophobicContact CE1-CE1 4.47Å; F257-F266 HydrophobicContact CE1-CE2 4.12Å; F257-F266 AromaticContact CE1-CG 3.94Å; F257-F266 HydrophobicContact CE1-CG 3.94Å; F257-F266 HydrophobicContact CE1-CZ 4.39Å; F257-F266 AromaticContact CE2-CD1 3.7Å; F257-F266 HydrophobicContact CE2-CD1 3.7Å; F257-F266 HydrophobicContact CE2-CD2 4.4Å; F257-F266 AromaticContact CE2-CE1 3.35Å; F257-F266 HydrophobicContact CE2-CE1 3.35Å; F257-F266 HydrophobicContact CE2-CE2 4.12Å; F257-F266 HydrophobicContact CE2-CG 4.21Å; F257-F266 AromaticContact CE2-CZ 3.57Å; F257-F266 HydrophobicContact CE2-CZ 3.57Å; F257-F266 AromaticContact CZ-CD1 3.77Å; F257-F266 HydrophobicContact CZ-CD1 3.77Å; F257-F266 AromaticContact CZ-CD2 3.63Å; F257-F266 HydrophobicContact CZ-CD2 3.63Å; F257-F266 AromaticContact CZ-CE1 3.56Å; F257-F266 HydrophobicContact CZ-CE1 3.56Å; F257-F266 AromaticContact CZ-CE2 3.43Å; F257-F266 HydrophobicContact CZ-CE2 3.43Å; F257-F266 VanDerWaalsContact CZ-CE2 3.43Å; F257-F266 AromaticContact CZ-CG 3.79Å; F257-F266 HydrophobicContact CZ-CG 3.79Å; F257-F266 AromaticContact CZ-CZ 3.38Å; F257-F266 HydrophobicContact CZ-CZ 3.38Å; F257-L282 HydrophobicContact CE2-CD1 4.37Å; F257-L282 HydrophobicContact CE2-CD2 3.83Å; F257-L282 HydrophobicContact CZ-CD2 4.49Å; F257-I299 CarbonylContact C-O 3.58Å; F257-I299 WeakPolarHBondContact CA-O 3.28Å; F257-I299 HydrophobicContact CD1-CB 4.1Å; F257-I299 HydrophobicContact CD1-CD1 4.4Å; F257-I299 HydrophobicContact CE1-CB 4.34Å; F257-I299 HydrophobicContact CE1-CD1 3.78Å; F257-I299 HydrophobicContact CZ-CD1 4.32Å
258	L	93.8	Very high	94.4	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	104.1	174.7	-176.9	69	0	0	0	109.4	I285 I298 I299 A300 T301 M314 H319 I321	L258-I285 HydrophobicContact CB-CD1 4.25Å; L258-I285 HydrophobicContact CD1-CD1 4.24Å; L258-I285 HydrophobicContact CD1-CG1 3.99Å; L258-I298 HydrophobicContact CB-CG2 3.89Å; L258-I299 PolarHBondContact N-O 3.02Å; L258-A300 HydrophobicContact CB-CB 4.19Å; L258-A300 HydrophobicContact CD2-CB 4.2Å; L258-A300 WeakPolarHBondContact O-CA 3.14Å; L258-T301 PolarHBondContact O-N 3.14Å; L258-M314 HydrophobicContact CD2-CE 4.41Å; L258-M314 HydrophobicContact CD2-SD 3.58Å; L258-M314 VanDerWaalsContact CD2-SD 3.58Å; L258-H319 VanDerWaalsContact CD1-CE1 3.45Å; L258-H319 WeakPolarHBondContact CD1-CE1 3.36Å; L258-I321 HydrophobicContact CD1-CB 4.24Å; L258-I321 HydrophobicContact CD1-CD1 4.18Å; L258-I321 HydrophobicContact CD1-CG2 4.3Å
259	G	90.8	Very high	94.3	Very high	14 Å²	14	43.2 Å²	43.2	14%	0.144	22%	0.218	C	C	.	.			trans	142.3	129.9	177.1	0	0	0	0	0	111.2	S261 L262 E263	G259-S261 PolarHBondContact O-N 3.07Å; G259-L262 PolarHBondContact O-N 3.47Å; G259-E263 WeakPolarHBondContact O-CB 3.2Å; G259-E263 WeakPolarHBondContact O-CG 3.24Å; G259-E263 PolarHBondContact O-N 2.84Å
260	R	86.8	Confident	94.1	Very high	203 Å²	203	47 Å²	47	77%	0.766	23%	0.225	S	C	*	.	H	α-helix	trans	-63.6	-45.2	-173.4	-70.4	-177	-179.4	173.5	-0.8	113	E263 S264	R260-E263 PolarHBondContact O-N 3.41Å; R260-S264 WeakPolarHBondContact O-CB 3.5Å; R260-S264 PolarHBondContact O-N 2.94Å
261	S	85.6	Confident	94.1	Very high	40 Å²	40	49.9 Å²	49.9	28%	0.28	24%	0.238	S	C	.	.	H	α-helix	trans	-62.5	-48	179.6	-179.3	0	0	0	0	111	G259 E263 S264 S265 M303	G259-S261 PolarHBondContact O-N 3.07Å; S261-E263 PolarHBondContact O-N 3.39Å; S261-S264 PolarHBondContact O-N 3.3Å; S261-S265 PolarHBondContact O-N 3.47Å; S261-S265 PolarHBondContact O-OG 3.42Å; S261-M303 WeakPolarHBondContact CB-O 3.42Å
262	L	90.5	Very high	94	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.1	-49.3	174.6	172.3	65.6	0	0	0	112.5	A235 I241 F257 G259 S264 S265 F266 I299 T301	A235-L262 HydrophobicContact CB-CB 3.99Å; A235-L262 HydrophobicContact CB-CD1 4.36Å; I241-L262 HydrophobicContact CD1-CD1 3.6Å; I241-L262 HydrophobicContact CG1-CD1 4.4Å; F257-L262 HydrophobicContact CB-CD2 4.33Å; F257-L262 HydrophobicContact CD1-CD1 4.11Å; F257-L262 HydrophobicContact CD1-CD2 3.84Å; F257-L262 HydrophobicContact CD1-CG 3.83Å; F257-L262 HydrophobicContact CE1-CD1 4.46Å; G259-L262 PolarHBondContact O-N 3.47Å; L262-S264 VanDerWaalsContact C-N 3.32Å; L262-S264 PolarHBondContact O-N 2.87Å; L262-S265 PolarHBondContact O-OG 3.43Å; L262-F266 WeakPolarHBondContact O-CB 3.34Å; L262-F266 PolarHBondContact O-N 3.16Å; L262-I299 HydrophobicContact CD1-CG2 4.5Å; L262-I299 HydrophobicContact CD2-CB 4.27Å; L262-I299 HydrophobicContact CD2-CG2 3.82Å; L262-I299 WeakPolarHBondContact CD2-O 3.49Å; L262-T301 HydrophobicContact CB-CG2 4.2Å; L262-T301 VanDerWaalsContact CB-OG1 3.23Å; L262-T301 WeakPolarHBondContact CB-OG1 3.49Å; L262-T301 HydrophobicContact CD2-CG2 3.98Å
263	E	92.6	Very high	93.9	Very high	73 Å²	73	46.5 Å²	46.5	34%	0.341	23%	0.232	S	C	.	.	H	α-helix	trans	-62.6	-40.2	178.4	-77.4	176.2	-137.7	0	0	112	F257 G259 R260 S261 N267	F257-E263 HydrophobicContact CB-CG 3.79Å; G259-E263 WeakPolarHBondContact O-CB 3.2Å; G259-E263 WeakPolarHBondContact O-CG 3.24Å; G259-E263 PolarHBondContact O-N 2.84Å; R260-E263 PolarHBondContact O-N 3.41Å; S261-E263 PolarHBondContact O-N 3.39Å; E263-N267 WeakPolarHBondContact O-CB 3.46Å; E263-N267 PolarHBondContact O-N 2.93Å; E263-N267 PolarHBondContact O-ND2 2.9Å
264	S	91.4	Very high	93.8	Very high	46 Å²	46	46.9 Å²	46.9	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-64.1	-55.7	179.7	-172.2	0	0	0	0	111.3	R260 S261 L262 F266 N267 I268	R260-S264 WeakPolarHBondContact O-CB 3.5Å; R260-S264 PolarHBondContact O-N 2.94Å; S261-S264 PolarHBondContact O-N 3.3Å; L262-S264 VanDerWaalsContact C-N 3.32Å; L262-S264 PolarHBondContact O-N 2.87Å; S264-F266 PolarHBondContact O-N 3.02Å; S264-N267 PolarHBondContact O-N 3.22Å; S264-I268 WeakPolarHBondContact O-CG1 3.41Å; S264-I268 PolarHBondContact O-N 3.45Å
265	S	92.4	Very high	93.7	Very high	15 Å²	15	44.8 Å²	44.8	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-43.7	-178.9	67.2	0	0	0	0	111.4	A235 S261 L262 N267 I268 A269	A235-S265 PolarHBondContact O-OG 2.97Å; S261-S265 PolarHBondContact O-N 3.47Å; S261-S265 PolarHBondContact O-OG 3.42Å; L262-S265 PolarHBondContact O-OG 3.43Å; S265-N267 PolarHBondContact O-N 3.18Å; S265-I268 PolarHBondContact O-N 3.39Å; S265-A269 WeakPolarHBondContact O-CB 3.48Å; S265-A269 PolarHBondContact O-N 3.48Å
266	F	95	Very high	93.5	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-47.3	176.3	176.9	-101.8	0	0	0	111.8	I241 L245 F257 L262 S264 I268 A269 R270 F275 I277 L282	I241-F266 HydrophobicContact CG2-CD2 3.99Å; I241-F266 HydrophobicContact CG2-CE2 4.07Å; L245-F266 HydrophobicContact CD1-CE2 4.04Å; L245-F266 HydrophobicContact CD1-CZ 4.4Å; F257-F266 HydrophobicContact CD1-CG 4.5Å; F257-F266 HydrophobicContact CD2-CD1 4.16Å; F257-F266 HydrophobicContact CD2-CE1 4.15Å; F257-F266 HydrophobicContact CE1-CD1 4.26Å; F257-F266 AromaticContact CE1-CD2 3.86Å; F257-F266 HydrophobicContact CE1-CD2 3.86Å; F257-F266 HydrophobicContact CE1-CE1 4.47Å; F257-F266 HydrophobicContact CE1-CE2 4.12Å; F257-F266 AromaticContact CE1-CG 3.94Å; F257-F266 HydrophobicContact CE1-CG 3.94Å; F257-F266 HydrophobicContact CE1-CZ 4.39Å; F257-F266 AromaticContact CE2-CD1 3.7Å; F257-F266 HydrophobicContact CE2-CD1 3.7Å; F257-F266 HydrophobicContact CE2-CD2 4.4Å; F257-F266 AromaticContact CE2-CE1 3.35Å; F257-F266 HydrophobicContact CE2-CE1 3.35Å; F257-F266 HydrophobicContact CE2-CE2 4.12Å; F257-F266 HydrophobicContact CE2-CG 4.21Å; F257-F266 AromaticContact CE2-CZ 3.57Å; F257-F266 HydrophobicContact CE2-CZ 3.57Å; F257-F266 AromaticContact CZ-CD1 3.77Å; F257-F266 HydrophobicContact CZ-CD1 3.77Å; F257-F266 AromaticContact CZ-CD2 3.63Å; F257-F266 HydrophobicContact CZ-CD2 3.63Å; F257-F266 AromaticContact CZ-CE1 3.56Å; F257-F266 HydrophobicContact CZ-CE1 3.56Å; F257-F266 AromaticContact CZ-CE2 3.43Å; F257-F266 HydrophobicContact CZ-CE2 3.43Å; F257-F266 VanDerWaalsContact CZ-CE2 3.43Å; F257-F266 AromaticContact CZ-CG 3.79Å; F257-F266 HydrophobicContact CZ-CG 3.79Å; F257-F266 AromaticContact CZ-CZ 3.38Å; F257-F266 HydrophobicContact CZ-CZ 3.38Å; L262-F266 WeakPolarHBondContact O-CB 3.34Å; L262-F266 PolarHBondContact O-N 3.16Å; S264-F266 PolarHBondContact O-N 3.02Å; F266-I268 PolarHBondContact O-N 3.41Å; F266-A269 PolarHBondContact O-N 3.35Å; F266-R270 HydrophobicContact CE1-CB 4.41Å; F266-R270 WeakPolarHBondContact O-CB 3.45Å; F266-R270 PolarHBondContact O-N 3.23Å; F266-F275 AromaticContact CD2-CD2 3.67Å; F266-F275 HydrophobicContact CD2-CD2 3.67Å; F266-F275 HydrophobicContact CD2-CE1 4.4Å; F266-F275 AromaticContact CD2-CE2 3.36Å; F266-F275 HydrophobicContact CD2-CE2 3.36Å; F266-F275 HydrophobicContact CD2-CG 4.31Å; F266-F275 AromaticContact CD2-CZ 3.78Å; F266-F275 HydrophobicContact CD2-CZ 3.78Å; F266-F275 HydrophobicContact CE2-CB 4.44Å; F266-F275 HydrophobicContact CE2-CD1 4.19Å; F266-F275 AromaticContact CE2-CD2 3.57Å; F266-F275 HydrophobicContact CE2-CD2 3.57Å; F266-F275 HydrophobicContact CE2-CE1 4.35Å; F266-F275 AromaticContact CE2-CE2 3.74Å; F266-F275 HydrophobicContact CE2-CE2 3.74Å; F266-F275 AromaticContact CE2-CG 3.82Å; F266-F275 HydrophobicContact CE2-CG 3.82Å; F266-F275 HydrophobicContact CE2-CZ 4.15Å; F266-F275 HydrophobicContact CG-CE2 4.34Å; F266-I277 HydrophobicContact CE1-CD1 4.45Å; F266-I277 HydrophobicContact CE2-CD1 4.3Å; F266-I277 HydrophobicContact CZ-CD1 3.62Å; F266-L282 HydrophobicContact CE1-CD1 3.73Å; F266-L282 HydrophobicContact CZ-CD1 3.87Å
267	N	95.2	Very high	93.4	Very high	60 Å²	60	52.2 Å²	52.2	32%	0.321	26%	0.263	S	S	.	.	H	α-helix	trans	-67.7	-36.2	-177.8	-79.2	-46.6	0	0	0	112.8	E263 S264 S265 K271	E263-N267 WeakPolarHBondContact O-CB 3.46Å; E263-N267 PolarHBondContact O-N 2.93Å; E263-N267 PolarHBondContact O-ND2 2.9Å; S264-N267 PolarHBondContact O-N 3.22Å; S265-N267 PolarHBondContact O-N 3.18Å; N267-K271 WeakPolarHBondContact O-CB 3.2Å; N267-K271 VanDerWaalsContact O-CG 3.25Å; N267-K271 WeakPolarHBondContact O-CG 3.45Å; N267-K271 PolarHBondContact O-N 3.15Å; N267-K271 VanDerWaalsContact O-N 3.08Å
268	I	95.1	Very high	93.2	Very high	27 Å²	27	53.6 Å²	53.6	14%	0.138	27%	0.274	C	S	.	.	H	α-helix	trans	-60.7	-54.1	173.1	-69.8	166.2	0	0	0	109.3	A104 L105 E108 S264 S265 F266 R270 K271 M272	A104-I268 HydrophobicContact CB-CG2 3.76Å; L105-I268 HydrophobicContact CD2-CD1 4.16Å; L105-I268 HydrophobicContact CD2-CG2 4.44Å; E108-I268 HydrophobicContact CB-CD1 3.64Å; E108-I268 HydrophobicContact CG-CD1 3.8Å; S264-I268 WeakPolarHBondContact O-CG1 3.41Å; S264-I268 PolarHBondContact O-N 3.45Å; S265-I268 PolarHBondContact O-N 3.39Å; F266-I268 PolarHBondContact O-N 3.41Å; I268-R270 PolarHBondContact O-N 3.11Å; I268-K271 PolarHBondContact O-N 3.05Å; I268-M272 HydrophobicContact CG2-SD 3.88Å; I268-M272 VanDerWaalsContact O-CG 3.29Å; I268-M272 WeakPolarHBondContact O-CG 3.49Å; I268-M272 PolarHBondContact O-N 3.32Å
269	A	95.2	Very high	93.1	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-40.3	-176.8	0	0	0	0	0	112.9	L101 F238 S265 F266 M272 G273 Y274 F275	L101-A269 HydrophobicContact CD1-CB 4.19Å; F238-A269 HydrophobicContact CD2-CB 3.98Å; F238-A269 HydrophobicContact CE2-CB 3.22Å; F238-A269 HydrophobicContact CZ-CB 3.82Å; S265-A269 WeakPolarHBondContact O-CB 3.48Å; S265-A269 PolarHBondContact O-N 3.48Å; F266-A269 PolarHBondContact O-N 3.35Å; A269-M272 CarbonylContact O-C 3.58Å; A269-M272 PolarHBondContact O-N 3.4Å; A269-M272 VanDerWaalsContact O-N 3.14Å; A269-G273 PolarHBondContact O-N 2.89Å; A269-G273 VanDerWaalsContact O-N 3.13Å; A269-Y274 HydrophobicContact CB-CD2 4.26Å; A269-Y274 WeakPolarHBondContact O-CD2 3.19Å; A269-Y274 PolarHBondContact O-N 3.17Å; A269-Y274 VanDerWaalsContact O-N 3.07Å; A269-F275 HydrophobicContact CB-CD2 3.99Å; A269-F275 HydrophobicContact CB-CE2 3.65Å
270	R	95	Very high	93.2	Very high	122 Å²	122	66.5 Å²	66.5	46%	0.46	33%	0.331	S	S	.	.	H	α-helix	trans	-57.7	-49.2	173.5	171.7	179.4	173.8	-159.5	0.7	111.6	F266 I268 M272 G273 F275 I277	F266-R270 HydrophobicContact CE1-CB 4.41Å; F266-R270 WeakPolarHBondContact O-CB 3.45Å; F266-R270 PolarHBondContact O-N 3.23Å; I268-R270 PolarHBondContact O-N 3.11Å; R270-M272 PolarHBondContact O-N 3.12Å; R270-G273 PolarHBondContact O-N 2.96Å; R270-G273 VanDerWaalsContact O-N 3.08Å; R270-F275 HydrophobicContact CB-CD2 4.46Å; R270-I277 HydrophobicContact CB-CD1 4.27Å; R270-I277 HydrophobicContact CG-CD1 3.64Å
271	K	95.7	Very high	93.6	Very high	180 Å²	180	57.3 Å²	57.3	78%	0.783	30%	0.297	S	S	*	.	H	α-helix	trans	-61.3	-26.2	178.8	-75.7	171.5	-176.1	174.1	0	112.5	N267 I268	N267-K271 WeakPolarHBondContact O-CB 3.2Å; N267-K271 VanDerWaalsContact O-CG 3.25Å; N267-K271 WeakPolarHBondContact O-CG 3.45Å; N267-K271 PolarHBondContact O-N 3.15Å; N267-K271 VanDerWaalsContact O-N 3.08Å; I268-K271 PolarHBondContact O-N 3.05Å
272	M	95.4	Very high	94.2	Very high	48 Å²	48	57.2 Å²	57.2	24%	0.236	29%	0.294	C	S	.	.	H	α-helix	trans	-89.5	-7.8	179.9	-64.9	174.5	74.8	0	0	113.7	K100 L101 A104 I268 A269 R270 Y274	K100-M272 HydrophobicContact CB-CE 4.04Å; K100-M272 HydrophobicContact CD-CE 3.53Å; K100-M272 HydrophobicContact CG-CE 3.42Å; K100-M272 VanDerWaalsContact CG-CE 3.42Å; K100-M272 WeakPolarHBondContact O-CE 3.32Å; L101-M272 HydrophobicContact CD1-SD 4.39Å; A104-M272 HydrophobicContact CB-CE 4.12Å; A104-M272 HydrophobicContact CB-SD 3.67Å; I268-M272 HydrophobicContact CG2-SD 3.88Å; I268-M272 VanDerWaalsContact O-CG 3.29Å; I268-M272 WeakPolarHBondContact O-CG 3.49Å; I268-M272 PolarHBondContact O-N 3.32Å; A269-M272 CarbonylContact O-C 3.58Å; A269-M272 PolarHBondContact O-N 3.4Å; A269-M272 VanDerWaalsContact O-N 3.14Å; R270-M272 PolarHBondContact O-N 3.12Å; M272-Y274 HydrophobicContact CB-CD2 3.63Å; M272-Y274 HydrophobicContact CB-CE2 3.49Å; M272-Y274 VanDerWaalsContact CB-CE2 3.49Å; M272-Y274 HydrophobicContact CE-CE2 3.76Å; M272-Y274 HydrophobicContact CG-CE2 4.35Å; M272-Y274 HydrophobicContact SD-CE2 4.01Å
273	G	95.3	Very high	94.5	Very high	54 Å²	54	57.9 Å²	57.9	56%	0.557	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	19.7	177.1	0	0	0	0	0	115.2	A269 R270 F275	A269-G273 PolarHBondContact O-N 2.89Å; A269-G273 VanDerWaalsContact O-N 3.13Å; R270-G273 PolarHBondContact O-N 2.96Å; R270-G273 VanDerWaalsContact O-N 3.08Å; G273-F275 VanDerWaalsContact C-N 3.34Å
274	Y	95.6	Very high	94.6	Very high	19 Å²	19	57.4 Å²	57.4	8%	0.075	30%	0.3	C	S	.	.			trans	-81.6	-11.6	178.6	-66.5	-73.2	0	0	0	114.5	L101 P147 D148 H176 A269 M272	L101-Y274 HydrophobicContact CB-CE2 3.82Å; L101-Y274 HydrophobicContact CD1-CD2 4.18Å; L101-Y274 HydrophobicContact CD1-CE2 4.03Å; L101-Y274 HydrophobicContact CD2-CE2 4.47Å; L101-Y274 HydrophobicContact CG-CE2 4.32Å; L101-Y274 PolarHBondContact N-OH 3.19Å; P147-Y274 HydrophobicContact CB-CD1 3.66Å; P147-Y274 HydrophobicContact CB-CE1 4.02Å; P147-Y274 HydrophobicContact CB-CG 4.41Å; P147-Y274 HydrophobicContact CG-CD1 3.78Å; P147-Y274 HydrophobicContact CG-CE1 4.49Å; P147-Y274 HydrophobicContact CG-CG 4.04Å; D148-Y274 WeakPolarHBondContact OD2-CE1 3.34Å; D148-Y274 VanDerWaalsContact OD2-CZ 3.3Å; D148-Y274 PolarHBondContact OD2-OH 3.12Å; H176-Y274 HydrophobicContact CB-CD1 4.25Å; H176-Y274 HydrophobicContact CB-CE1 4.32Å; H176-Y274 AromaticContact CD2-CD1 3.98Å; H176-Y274 AromaticContact CG-CD1 3.93Å; H176-Y274 AromaticContact CG-CE1 3.84Å; H176-Y274 AromaticContact ND1-CE1 3.76Å; A269-Y274 HydrophobicContact CB-CD2 4.26Å; A269-Y274 WeakPolarHBondContact O-CD2 3.19Å; A269-Y274 PolarHBondContact O-N 3.17Å; A269-Y274 VanDerWaalsContact O-N 3.07Å; M272-Y274 HydrophobicContact CB-CD2 3.63Å; M272-Y274 HydrophobicContact CB-CE2 3.49Å; M272-Y274 VanDerWaalsContact CB-CE2 3.49Å; M272-Y274 HydrophobicContact CE-CE2 3.76Å; M272-Y274 HydrophobicContact CG-CE2 4.35Å; M272-Y274 HydrophobicContact SD-CE2 4.01Å
275	F	95.5	Very high	94.7	Very high	15 Å²	15	56.4 Å²	56.4	7%	0.066	29%	0.291	C	S	.	.	S	Bend	trans	-113.4	131.7	175.1	-71.3	-71.5	0	0	0	110	F238 I241 Q242 L245 F266 A269 R270 G273 I277	F238-F275 HydrophobicContact CB-CE1 4.06Å; F238-F275 HydrophobicContact CB-CZ 3.75Å; F238-F275 HydrophobicContact CD1-CZ 4.04Å; F238-F275 AromaticContact CD2-CE2 3.99Å; F238-F275 HydrophobicContact CD2-CE2 3.99Å; F238-F275 AromaticContact CD2-CZ 3.77Å; F238-F275 HydrophobicContact CD2-CZ 3.77Å; F238-F275 HydrophobicContact CE2-CE2 4.28Å; F238-F275 HydrophobicContact CE2-CZ 4.42Å; F238-F275 HydrophobicContact CG-CE1 4.38Å; F238-F275 HydrophobicContact CG-CE2 4.24Å; F238-F275 AromaticContact CG-CZ 3.58Å; F238-F275 HydrophobicContact CG-CZ 3.58Å; F238-F275 WeakPolarHBondContact O-CE1 3.49Å; I241-F275 HydrophobicContact CB-CE1 3.85Å; I241-F275 HydrophobicContact CB-CZ 4.13Å; I241-F275 HydrophobicContact CD1-CZ 4.41Å; I241-F275 HydrophobicContact CG2-CD1 4.38Å; I241-F275 HydrophobicContact CG2-CE1 3.63Å; I241-F275 HydrophobicContact CG2-CZ 3.9Å; Q242-F275 HydrophobicContact CB-CD1 4.18Å; Q242-F275 HydrophobicContact CB-CE1 4.31Å; Q242-F275 VanDerWaalsContact OE1-CA 3.26Å; L245-F275 HydrophobicContact CD1-CD1 4.11Å; F266-F275 AromaticContact CD2-CD2 3.67Å; F266-F275 HydrophobicContact CD2-CD2 3.67Å; F266-F275 HydrophobicContact CD2-CE1 4.4Å; F266-F275 AromaticContact CD2-CE2 3.36Å; F266-F275 HydrophobicContact CD2-CE2 3.36Å; F266-F275 HydrophobicContact CD2-CG 4.31Å; F266-F275 AromaticContact CD2-CZ 3.78Å; F266-F275 HydrophobicContact CD2-CZ 3.78Å; F266-F275 HydrophobicContact CE2-CB 4.44Å; F266-F275 HydrophobicContact CE2-CD1 4.19Å; F266-F275 AromaticContact CE2-CD2 3.57Å; F266-F275 HydrophobicContact CE2-CD2 3.57Å; F266-F275 HydrophobicContact CE2-CE1 4.35Å; F266-F275 AromaticContact CE2-CE2 3.74Å; F266-F275 HydrophobicContact CE2-CE2 3.74Å; F266-F275 AromaticContact CE2-CG 3.82Å; F266-F275 HydrophobicContact CE2-CG 3.82Å; F266-F275 HydrophobicContact CE2-CZ 4.15Å; F266-F275 HydrophobicContact CG-CE2 4.34Å; A269-F275 HydrophobicContact CB-CD2 3.99Å; A269-F275 HydrophobicContact CB-CE2 3.65Å; R270-F275 HydrophobicContact CB-CD2 4.46Å; G273-F275 VanDerWaalsContact C-N 3.34Å; F275-I277 HydrophobicContact CB-CD1 3.85Å; F275-I277 HydrophobicContact CB-CG1 3.7Å
276	D	93.9	Very high	94.8	Very high	118 Å²	118	61 Å²	61	63%	0.631	32%	0.318	S	S	*	.			trans	-86.4	113.4	165.1	-172.5	6.9	0	0	0	108.5	Q242	Q242-D276 PolarHBondContact NE2-O 3.22Å
277	I	95.8	Very high	94.8	Very high	39 Å²	39	64.7 Å²	64.7	20%	0.2	34%	0.336	C	S	.	.			trans	-127.1	107.2	-171.9	-47.7	176	0	0	0	108.1	L245 F266 R270 F275 L281 L282	L245-I277 HydrophobicContact CD1-CG1 4.21Å; F266-I277 HydrophobicContact CE1-CD1 4.45Å; F266-I277 HydrophobicContact CE2-CD1 4.3Å; F266-I277 HydrophobicContact CZ-CD1 3.62Å; R270-I277 HydrophobicContact CB-CD1 4.27Å; R270-I277 HydrophobicContact CG-CD1 3.64Å; F275-I277 HydrophobicContact CB-CD1 3.85Å; F275-I277 HydrophobicContact CB-CG1 3.7Å; I277-L281 HydrophobicContact CG2-CB 4.29Å; I277-L281 HydrophobicContact CG2-CD2 4.37Å; I277-L282 HydrophobicContact CD1-CD1 4.16Å; I277-L282 HydrophobicContact CG2-CD1 4.09Å; I277-L282 HydrophobicContact CG2-CD2 4.21Å; I277-L282 HydrophobicContact CG2-CG 3.83Å
278	P	91.7	Very high	94.8	Very high	47 Å²	47	62 Å²	62	31%	0.305	32%	0.321	S	S	.	.			trans	-51.8	146	170.7	-29.2	35.8	0	0	0	112.2	D280 L281	P278-D280 PolarHBondContact O-N 3.2Å; P278-L281 HydrophobicContact CB-CB 4.4Å; P278-L281 HydrophobicContact CG-CD2 4.39Å; P278-L281 VanDerWaalsContact O-CB 3.28Å; P278-L281 WeakPolarHBondContact O-CB 3.35Å; P278-L281 PolarHBondContact O-N 2.83Å
279	K	90.9	Very high	94.7	Very high	181 Å²	181	66.7 Å²	66.7	79%	0.787	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	139.7	180	-163.8	-169.6	167.1	-174.8	0	110.2	L281	K279-L281 PolarHBondContact O-N 3.29Å; K279-L281 VanDerWaalsContact O-N 3.1Å
280	D	92.1	Very high	94.7	Very high	108 Å²	108	72.9 Å²	72.9	58%	0.578	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	13.7	176.9	-47.1	-44.2	0	0	0	114.4	K254 P278	K254-D280 WeakPolarHBondContact CD-O 3.4Å; K254-D280 WeakPolarHBondContact CE-O 3.39Å; K254-D280 PolarHBondContact NZ-O 3.36Å; P278-D280 PolarHBondContact O-N 3.2Å
281	L	97	Very high	94.8	Very high	9 Å²	9	70.6 Å²	70.6	5%	0.047	37%	0.372	C	S	.	.			trans	-70	-36.3	178.4	-177.2	64.7	0	0	0	112.7	L245 A248 R253 K254 V255 I277 P278 K279	L245-L281 HydrophobicContact CB-CD2 4.08Å; L245-L281 HydrophobicContact CD2-CD2 4.01Å; A248-L281 HydrophobicContact CB-CD1 4.16Å; R253-L281 VanDerWaalsContact O-CD1 3.23Å; R253-L281 WeakPolarHBondContact O-CD1 3.46Å; K254-L281 CarbonylContact C-O 3.6Å; K254-L281 WeakPolarHBondContact CA-O 3.46Å; V255-L281 HydrophobicContact CG2-CD1 4.36Å; V255-L281 HydrophobicContact CG2-CG 4.25Å; V255-L281 PolarHBondContact N-O 2.85Å; I277-L281 HydrophobicContact CG2-CB 4.29Å; I277-L281 HydrophobicContact CG2-CD2 4.37Å; P278-L281 HydrophobicContact CB-CB 4.4Å; P278-L281 HydrophobicContact CG-CD2 4.39Å; P278-L281 VanDerWaalsContact O-CB 3.28Å; P278-L281 WeakPolarHBondContact O-CB 3.35Å; P278-L281 PolarHBondContact O-N 2.83Å; K279-L281 PolarHBondContact O-N 3.29Å; K279-L281 VanDerWaalsContact O-N 3.1Å
282	L	97.4	Very high	94.8	Very high	39 Å²	39	64.9 Å²	64.9	20%	0.204	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-90.6	137.9	-174.1	-55.8	-174.4	0	0	0	111.7	L245 V255 F257 F266 I277	L245-L282 HydrophobicContact CD2-CD2 3.82Å; V255-L282 HydrophobicContact CB-CD2 4.02Å; V255-L282 HydrophobicContact CG1-CD2 4.44Å; V255-L282 WeakPolarHBondContact O-CA 3.4Å; F257-L282 HydrophobicContact CE2-CD1 4.37Å; F257-L282 HydrophobicContact CE2-CD2 3.83Å; F257-L282 HydrophobicContact CZ-CD2 4.49Å; F266-L282 HydrophobicContact CE1-CD1 3.73Å; F266-L282 HydrophobicContact CZ-CD1 3.87Å; I277-L282 HydrophobicContact CD1-CD1 4.16Å; I277-L282 HydrophobicContact CG2-CD1 4.09Å; I277-L282 HydrophobicContact CG2-CD2 4.21Å; I277-L282 HydrophobicContact CG2-CG 3.83Å
283	I	96.6	Very high	94.8	Very high	14 Å²	14	67.3 Å²	67.3	7%	0.072	36%	0.362	C	S	.	.			trans	-127.9	148.1	172.8	61.5	174	0	0	0	110.1	K254 V255 S256 V288 Y291 V296	K254-I283 HydrophobicContact CB-CD1 3.7Å; K254-I283 HydrophobicContact CB-CG1 3.96Å; K254-I283 HydrophobicContact CB-CG2 3.97Å; K254-I283 HydrophobicContact CD-CG2 4.22Å; K254-I283 HydrophobicContact CG-CD1 4.41Å; K254-I283 HydrophobicContact CG-CG2 4.02Å; V255-I283 PolarHBondContact O-N 3.3Å; S256-I283 PolarHBondContact OG-O 3.47Å; I283-V288 HydrophobicContact CD1-CG2 4.05Å; I283-Y291 HydrophobicContact CB-CE2 4.29Å; I283-Y291 HydrophobicContact CD1-CD2 3.58Å; I283-Y291 HydrophobicContact CD1-CE2 3.73Å; I283-Y291 HydrophobicContact CD1-CG 4.19Å; I283-Y291 HydrophobicContact CG2-CE2 3.83Å; I283-V296 HydrophobicContact CD1-CG2 4.43Å
284	P	95	Very high	94.8	Very high	63 Å²	63	68.5 Å²	68.5	41%	0.409	36%	0.356	S	S	.	.			trans	-62.6	148.8	171.1	-20.2	32.6	0	0	0	111.7	T286 E287	P284-T286 PolarHBondContact O-N 2.82Å; P284-T286 VanDerWaalsContact O-N 3.16Å; P284-E287 HydrophobicContact CB-CG 4.31Å; P284-E287 HydrophobicContact CG-CG 4.21Å; P284-E287 PolarHBondContact O-N 3.16Å
285	I	94.1	Very high	94.8	Very high	24 Å²	24	71.3 Å²	71.3	12%	0.123	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-58.6	-32	177.7	-165.8	67.6	0	0	0	112.5	S256 L258 E287 V288 I298 I321 M322	S256-I285 WeakPolarHBondContact OG-CA 3.19Å; S256-I285 WeakPolarHBondContact OG-CB 3.38Å; S256-I285 WeakPolarHBondContact OG-CD1 3.47Å; S256-I285 PolarHBondContact OG-N 3.27Å; S256-I285 VanDerWaalsContact OG-N 3.16Å; L258-I285 HydrophobicContact CB-CD1 4.25Å; L258-I285 HydrophobicContact CD1-CD1 4.24Å; L258-I285 HydrophobicContact CD1-CG1 3.99Å; I285-E287 PolarHBondContact O-N 3.14Å; I285-V288 HydrophobicContact CD1-CG2 4.15Å; I285-V288 PolarHBondContact O-N 2.93Å; I285-I298 HydrophobicContact CD1-CG1 4.45Å; I285-I298 HydrophobicContact CD1-CG2 4.14Å; I285-I321 HydrophobicContact CG1-CG2 3.77Å; I285-I321 HydrophobicContact CG2-CG2 4Å; I285-M322 HydrophobicContact CD1-CE 3.74Å; I285-M322 HydrophobicContact CD1-SD 4.2Å; I285-M322 HydrophobicContact CG1-CE 4.36Å
286	T	93.6	Very high	94.9	Very high	112 Å²	112	70.6 Å²	70.6	69%	0.687	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-70.4	-13.1	177.4	53.4	0	0	0	0	113.8	P284	P284-T286 PolarHBondContact O-N 2.82Å; P284-T286 VanDerWaalsContact O-N 3.16Å
287	E	94.7	Very high	95.1	Very high	80 Å²	80	65 Å²	65	37%	0.374	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-103.1	-4.8	179	-66.8	-176.7	-161	0	0	112.9	P284 I285 D289 N290 Y291	P284-E287 HydrophobicContact CB-CG 4.31Å; P284-E287 HydrophobicContact CG-CG 4.21Å; P284-E287 PolarHBondContact O-N 3.16Å; I285-E287 PolarHBondContact O-N 3.14Å; E287-D289 PolarHBondContact O-N 2.74Å; E287-N290 VanDerWaalsContact O-CB 3.3Å; E287-N290 WeakPolarHBondContact O-CB 3.21Å; E287-N290 PolarHBondContact O-N 3.37Å; E287-Y291 HydrophobicContact CB-CE2 4.48Å; E287-Y291 WeakPolarHBondContact O-CD2 3.39Å
288	V	94.8	Very high	95.2	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.012	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-54.6	-39.8	-177.3	163.9	0	0	0	0	112.2	I283 I285 N290 Y291 V296 I298 M322	I283-V288 HydrophobicContact CD1-CG2 4.05Å; I285-V288 HydrophobicContact CD1-CG2 4.15Å; I285-V288 PolarHBondContact O-N 2.93Å; V288-N290 PolarHBondContact O-N 3.1Å; V288-Y291 PolarHBondContact O-N 2.83Å; V288-Y291 VanDerWaalsContact O-N 3.11Å; V288-V296 HydrophobicContact CG1-CG1 3.89Å; V288-V296 HydrophobicContact CG1-CG2 4.44Å; V288-V296 HydrophobicContact CG2-CG1 4.11Å; V288-I298 HydrophobicContact CG1-CD1 4.4Å; V288-M322 HydrophobicContact CB-CE 3.84Å; V288-M322 HydrophobicContact CG1-CE 3.57Å; V288-M322 HydrophobicContact CG2-CE 4.19Å
289	D	93.6	Very high	95.4	Very high	126 Å²	126	60.9 Å²	60.9	67%	0.674	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-68.5	-13.1	-179	-64.1	-26.8	0	0	0	113.7	E287 Y291	E287-D289 PolarHBondContact O-N 2.74Å; D289-Y291 VanDerWaalsContact C-N 3.3Å
290	N	95.5	Very high	95.6	Very high	130 Å²	130	52.3 Å²	52.3	70%	0.695	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-82	-9.6	175.3	-60.3	-35.1	0	0	0	112.9	E287 V288	E287-N290 VanDerWaalsContact O-CB 3.3Å; E287-N290 WeakPolarHBondContact O-CB 3.21Å; E287-N290 PolarHBondContact O-N 3.37Å; V288-N290 PolarHBondContact O-N 3.1Å
291	Y	95.9	Very high	95.5	Very high	75 Å²	75	47.3 Å²	47.3	29%	0.294	25%	0.249	S	C	.	.	S	Bend	trans	-106.5	149.6	-178.3	-69.8	-95.2	0	0	0	111.4	K254 I283 E287 V288 D289 K293 V296	K254-Y291 HydrophobicContact CG-CD1 3.97Å; K254-Y291 HydrophobicContact CG-CE1 3.81Å; I283-Y291 HydrophobicContact CB-CE2 4.29Å; I283-Y291 HydrophobicContact CD1-CD2 3.58Å; I283-Y291 HydrophobicContact CD1-CE2 3.73Å; I283-Y291 HydrophobicContact CD1-CG 4.19Å; I283-Y291 HydrophobicContact CG2-CE2 3.83Å; E287-Y291 HydrophobicContact CB-CE2 4.48Å; E287-Y291 WeakPolarHBondContact O-CD2 3.39Å; V288-Y291 PolarHBondContact O-N 2.83Å; V288-Y291 VanDerWaalsContact O-N 3.11Å; D289-Y291 VanDerWaalsContact C-N 3.3Å; Y291-K293 PolarHBondContact O-N 3.34Å; Y291-V296 HydrophobicContact CG-CG2 4.44Å
292	P	96	Very high	94.8	Very high	60 Å²	60	47 Å²	47	39%	0.39	25%	0.247	S	C	.	.			trans	-55	138.7	169.8	-24	34.4	0	0	0	111.2	N294 E295	P292-N294 VanDerWaalsContact CB-OD1 3.31Å; P292-N294 WeakPolarHBondContact CB-OD1 3.21Å; P292-N294 PolarHBondContact O-N 3.5Å; P292-N294 VanDerWaalsContact O-N 3.1Å; P292-E295 HydrophobicContact CB-CB 4.38Å; P292-E295 HydrophobicContact CB-CG 4.1Å; P292-E295 HydrophobicContact CG-CG 4.31Å; P292-E295 WeakPolarHBondContact O-CB 3.33Å; P292-E295 PolarHBondContact O-N 2.96Å
293	K	95.1	Very high	93.6	Very high	98 Å²	98	51.3 Å²	51.3	43%	0.426	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-53.9	-37.7	-176.5	-64.3	-165.6	-175	-163.8	0	112.7	G227 R228 Y291 E295 E325	G227-K293 CarbonylContact C-O 3.58Å; R228-K293 WeakPolarHBondContact CA-O 3.49Å; R228-K293 HydrophobicContact CG-CB 3.82Å; R228-K293 HydrophobicContact CG-CD 4.42Å; R228-K293 HydrophobicContact CG-CG 4.05Å; R228-K293 PolarHBondContact N-O 3.25Å; R228-K293 VanDerWaalsContact N-O 3.14Å; Y291-K293 PolarHBondContact O-N 3.34Å; K293-E295 PolarHBondContact O-N 3.29Å; K293-E325 IonicContact NZ-OE2 3.84Å; K293-E325 PolarHBondContact NZ-OE2 3.1Å
294	N	95.7	Very high	92.3	Very high	79 Å²	79	54.6 Å²	54.6	42%	0.422	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-74.9	-1	179	68.1	-63.6	0	0	0	114.6	R226 R253 P292	R226-N294 VanDerWaalsContact O-CB 3.22Å; R226-N294 WeakPolarHBondContact O-CB 3.33Å; R253-N294 PolarHBondContact NE-O 3.32Å; R253-N294 PolarHBondContact NH1-O 3.48Å; R253-N294 PolarHBondContact NH2-O 3.02Å; P292-N294 VanDerWaalsContact CB-OD1 3.31Å; P292-N294 WeakPolarHBondContact CB-OD1 3.21Å; P292-N294 PolarHBondContact O-N 3.5Å; P292-N294 VanDerWaalsContact O-N 3.1Å
295	E	96.3	Very high	91.3	Very high	78 Å²	78	51.8 Å²	51.8	36%	0.364	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-110.2	10.3	179.6	-66.4	-176.3	-171.5	0	0	112.2	R253 K254 P292 K293	R253-E295 CarbonylContact C-O 3.14Å; R253-E295 VanDerWaalsContact CA-O 3.23Å; R253-E295 WeakPolarHBondContact CA-O 3.43Å; K254-E295 PolarHBondContact N-O 2.97Å; P292-E295 HydrophobicContact CB-CB 4.38Å; P292-E295 HydrophobicContact CB-CG 4.1Å; P292-E295 HydrophobicContact CG-CG 4.31Å; P292-E295 WeakPolarHBondContact O-CB 3.33Å; P292-E295 PolarHBondContact O-N 2.96Å; K293-E295 PolarHBondContact O-N 3.29Å
296	V	97.5	Very high	90.6	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.9	-176.7	-175.7	0	0	0	0	112.2	L229 R253 I283 V288 Y291 I298	L229-V296 PolarHBondContact N-O 3.48Å; R253-V296 PolarHBondContact NH1-O 2.88Å; R253-V296 VanDerWaalsContact NH1-O 3.1Å; I283-V296 HydrophobicContact CD1-CG2 4.43Å; V288-V296 HydrophobicContact CG1-CG1 3.89Å; V288-V296 HydrophobicContact CG1-CG2 4.44Å; V288-V296 HydrophobicContact CG2-CG1 4.11Å; Y291-V296 HydrophobicContact CG-CG2 4.44Å; V296-I298 HydrophobicContact CG1-CD1 4.18Å; V296-I298 HydrophobicContact CG1-CG1 4.06Å
297	I	98.2	Very high	90.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.7	162	-68	168.1	0	0	0	108.6	F222 L229 V231 V244 A248 R253 K254 V255 S256	F222-I297 HydrophobicContact CD2-CD1 4.42Å; L229-I297 HydrophobicContact CB-CG1 3.98Å; L229-I297 HydrophobicContact CD2-CD1 4.11Å; L229-I297 HydrophobicContact CD2-CG1 3.95Å; L229-I297 HydrophobicContact CG-CG1 4.16Å; L229-I297 CarbonylContact O-C 3.56Å; L229-I297 VanDerWaalsContact O-CA 3.24Å; L229-I297 WeakPolarHBondContact O-CA 3.45Å; V231-I297 HydrophobicContact CG2-CG2 3.94Å; V244-I297 HydrophobicContact CG1-CG2 3.77Å; A248-I297 HydrophobicContact CB-CD1 3.7Å; R253-I297 HydrophobicContact CB-CD1 4.02Å; R253-I297 HydrophobicContact CB-CG1 4.11Å; K254-I297 PolarHBondContact O-N 2.79Å; V255-I297 WeakPolarHBondContact CA-O 3.36Å; V255-I297 HydrophobicContact CG2-CB 4.4Å; S256-I297 PolarHBondContact N-O 2.98Å
298	I	97.5	Very high	89.7	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.5	172	-59.9	125.1	0	0	0	108.3	R228 L229 I230 V231 S256 L258 I285 V288 V296 A300 M322	R228-I298 HydrophobicContact CB-CD1 4.5Å; L229-I298 PolarHBondContact O-N 3.14Å; I230-I298 CarbonylContact C-O 3.58Å; I230-I298 WeakPolarHBondContact CA-O 3.42Å; I230-I298 HydrophobicContact CG1-CD1 4.21Å; V231-I298 PolarHBondContact N-O 3.23Å; S256-I298 CarbonylContact O-C 3.47Å; S256-I298 WeakPolarHBondContact O-CA 3.48Å; L258-I298 HydrophobicContact CB-CG2 3.89Å; I285-I298 HydrophobicContact CD1-CG1 4.45Å; I285-I298 HydrophobicContact CD1-CG2 4.14Å; V288-I298 HydrophobicContact CG1-CD1 4.4Å; V296-I298 HydrophobicContact CG1-CD1 4.18Å; V296-I298 HydrophobicContact CG1-CG1 4.06Å; I298-A300 HydrophobicContact CG2-CB 4.43Å; I298-M322 HydrophobicContact CD1-CE 4.07Å; I298-M322 HydrophobicContact CD1-SD 3.48Å; I298-M322 WeakPolarHBondContact CD1-SD 3.32Å; I298-M322 HydrophobicContact CG1-CE 4.4Å; I298-M322 HydrophobicContact CG1-SD 4.01Å; I298-M322 HydrophobicContact CG2-SD 4.48Å
299	I	97.1	Very high	89.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.5	169	-54	178.8	0	0	0	107.6	V231 I241 V244 V255 S256 F257 L258 L262	V231-I299 CarbonylContact O-C 3.59Å; V231-I299 VanDerWaalsContact O-CA 3.27Å; V231-I299 WeakPolarHBondContact O-CA 3.5Å; I241-I299 HydrophobicContact CG2-CD1 4.18Å; V244-I299 HydrophobicContact CB-CD1 3.97Å; V244-I299 HydrophobicContact CG1-CD1 3.71Å; V244-I299 HydrophobicContact CG1-CG1 3.91Å; V255-I299 HydrophobicContact CG1-CD1 4.01Å; V255-I299 HydrophobicContact CG1-CG1 4.13Å; S256-I299 PolarHBondContact O-N 2.92Å; F257-I299 CarbonylContact C-O 3.58Å; F257-I299 WeakPolarHBondContact CA-O 3.28Å; F257-I299 HydrophobicContact CD1-CB 4.1Å; F257-I299 HydrophobicContact CD1-CD1 4.4Å; F257-I299 HydrophobicContact CE1-CB 4.34Å; F257-I299 HydrophobicContact CE1-CD1 3.78Å; F257-I299 HydrophobicContact CZ-CD1 4.32Å; L258-I299 PolarHBondContact N-O 3.02Å; L262-I299 HydrophobicContact CD1-CG2 4.5Å; L262-I299 HydrophobicContact CD2-CB 4.27Å; L262-I299 HydrophobicContact CD2-CG2 3.82Å; L262-I299 WeakPolarHBondContact CD2-O 3.49Å
300	A	94.5	Very high	89.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.9	-171.8	0	0	0	0	0	112.6	I230 V231 L258 I298 M314	I230-A300 HydrophobicContact CG2-CB 4.11Å; V231-A300 PolarHBondContact O-N 2.87Å; L258-A300 HydrophobicContact CB-CB 4.19Å; L258-A300 HydrophobicContact CD2-CB 4.2Å; L258-A300 WeakPolarHBondContact O-CA 3.14Å; I298-A300 HydrophobicContact CG2-CB 4.43Å; A300-M314 HydrophobicContact CB-CE 4.04Å
301	T	89.6	Confident	89.1	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.018	17%	0.173	C	C	.	.			trans	-136.9	156.5	173.2	57.5	0	0	0	0	111.2	C233 A235 L258 L262 E306 A310	C233-T301 WeakPolarHBondContact O-CG2 3.34Å; A235-T301 HydrophobicContact CB-CG2 4.24Å; L258-T301 PolarHBondContact O-N 3.14Å; L262-T301 HydrophobicContact CB-CG2 4.2Å; L262-T301 VanDerWaalsContact CB-OG1 3.23Å; L262-T301 WeakPolarHBondContact CB-OG1 3.49Å; L262-T301 HydrophobicContact CD2-CG2 3.98Å; T301-E306 CarbonylContact C-O 3.34Å; T301-E306 WeakPolarHBondContact CA-O 3.44Å; T301-A310 VanDerWaalsContact O-CB 3.22Å; T301-A310 WeakPolarHBondContact O-CB 3.17Å
302	G	82.3	Confident	88.9	Confident	2 Å²	2	33 Å²	33	2%	0.021	17%	0.167	C	C	.	.			trans	-58.3	177.3	165.8	0	0	0	0	0	114.4	Q304 G305 E306 E309	G302-Q304 VanDerWaalsContact C-N 3.27Å; G302-Q304 PolarHBondContact O-N 3.16Å; G302-G305 PolarHBondContact O-N 2.99Å; G302-G305 VanDerWaalsContact O-N 3.08Å; G302-E306 PolarHBondContact N-O 3.27Å; G302-E309 WeakPolarHBondContact CA-OE2 3.31Å
303	M	71.5	Confident	88.8	Confident	130 Å²	130	33.2 Å²	33.2	64%	0.64	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-38.5	-176.4	-168.6	173.2	-58.8	0	0	111.6	S261 G305 E309	S261-M303 WeakPolarHBondContact CB-O 3.42Å; M303-G305 VanDerWaalsContact C-N 3.34Å; M303-E309 PolarHBondContact N-OE2 3.26Å
304	Q	70.5	Confident	88.8	Confident	84 Å²	84	28.6 Å²	28.6	39%	0.393	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	7	178.1	-66.6	-172.4	-23.4	0	0	113.7	F44 G302	F44-Q304 HydrophobicContact CE1-CB 4.1Å; F44-Q304 HydrophobicContact CE1-CG 4.37Å; F44-Q304 HydrophobicContact CZ-CB 4.36Å; G302-Q304 VanDerWaalsContact C-N 3.27Å; G302-Q304 PolarHBondContact O-N 3.16Å
305	G	73	Confident	88.7	Confident	4 Å²	4	25.2 Å²	25.2	4%	0.041	13%	0.126	C	C	.	.	S	Bend	trans	88.3	7	-177.7	0	0	0	0	0	114.4	A235 G302 M303	A235-G305 PolarHBondContact N-O 2.91Å; A235-G305 VanDerWaalsContact N-O 3.13Å; G302-G305 PolarHBondContact O-N 2.99Å; G302-G305 VanDerWaalsContact O-N 3.08Å; M303-G305 VanDerWaalsContact C-N 3.34Å
306	E	79.4	Confident	88.6	Confident	46 Å²	46	25 Å²	25	22%	0.215	13%	0.125	C	C	.	.			trans	-68.4	142.2	175.9	-73.6	-55.9	119.2	0	0	112.3	T301 G302 V308	T301-E306 CarbonylContact C-O 3.34Å; T301-E306 WeakPolarHBondContact CA-O 3.44Å; G302-E306 PolarHBondContact N-O 3.27Å; E306-V308 PolarHBondContact O-N 3.12Å
307	P	83	Confident	88.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-28.4	-171.7	22.8	-29.6	0	0	0	113.5	S232 Y234 I334 M340	S232-P307 WeakPolarHBondContact CB-O 3.31Å; S232-P307 VanDerWaalsContact OG-CA 3.25Å; S232-P307 WeakPolarHBondContact OG-CA 3.21Å; S232-P307 WeakPolarHBondContact OG-CB 3.39Å; S232-P307 PolarHBondContact OG-O 3.47Å; Y234-P307 HydrophobicContact CD1-CG 4.21Å; Y234-P307 VanDerWaalsContact CE1-CD 3.45Å; Y234-P307 HydrophobicContact CE1-CG 3.82Å; Y234-P307 HydrophobicContact CE2-CG 4.34Å; P307-I334 HydrophobicContact CB-CD1 4.02Å; P307-I334 HydrophobicContact CB-CG2 3.76Å; P307-I334 HydrophobicContact CG-CD1 3.75Å; P307-I334 HydrophobicContact CG-CG2 3.96Å; P307-M340 HydrophobicContact CG-CE 4.16Å
308	V	87.2	Confident	88.2	Confident	6 Å²	6	37.4 Å²	37.4	4%	0.036	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-27.6	-164.6	-167.8	0	0	0	0	113.9	E306 A310 L311 S312 M340 I343 I344 T347	E306-V308 PolarHBondContact O-N 3.12Å; V308-A310 PolarHBondContact O-N 3.45Å; V308-L311 WeakPolarHBondContact O-CB 3.31Å; V308-L311 PolarHBondContact O-N 3.07Å; V308-L311 VanDerWaalsContact O-N 3.1Å; V308-S312 PolarHBondContact O-N 2.92Å; V308-M340 HydrophobicContact CG2-CE 4.14Å; V308-I343 HydrophobicContact CG1-CG2 4.24Å; V308-I344 HydrophobicContact CG2-CG1 3.77Å; V308-T347 HydrophobicContact CG1-CG2 3.54Å; V308-T347 WeakPolarHBondContact CG1-OG1 3.42Å
309	E	86.9	Confident	88	Confident	75 Å²	75	38.7 Å²	38.7	35%	0.35	19%	0.187	S	C	.	.	H	α-helix	trans	-59.4	-50.1	-171.1	-171.4	-158.3	165.9	0	0	112.7	G302 M303 L311 S312 Q313	G302-E309 WeakPolarHBondContact CA-OE2 3.31Å; M303-E309 PolarHBondContact N-OE2 3.26Å; E309-L311 VanDerWaalsContact C-N 3.28Å; E309-L311 PolarHBondContact O-N 3.43Å; E309-S312 PolarHBondContact O-N 3.35Å; E309-Q313 WeakPolarHBondContact O-CG 3.27Å; E309-Q313 PolarHBondContact O-N 3.29Å; E309-Q313 PolarHBondContact OE1-NE2 2.81Å; E309-Q313 VanDerWaalsContact OE1-NE2 3.14Å
310	A	90.4	Very high	87.6	Confident	2 Å²	2	48.8 Å²	48.8	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-37.9	177.7	0	0	0	0	0	111.8	T301 V308 S312 Q313 M314	T301-A310 VanDerWaalsContact O-CB 3.22Å; T301-A310 WeakPolarHBondContact O-CB 3.17Å; V308-A310 PolarHBondContact O-N 3.45Å; A310-S312 PolarHBondContact O-N 2.85Å; A310-Q313 PolarHBondContact O-N 3.11Å; A310-M314 WeakPolarHBondContact O-CB 3.48Å; A310-M314 WeakPolarHBondContact O-CG 3.28Å; A310-M314 PolarHBondContact O-N 3.4Å
311	L	93.3	Very high	87.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-44.4	177.2	-62.4	-178.6	0	0	0	111.7	I230 V308 E309 M314 A315 V330 L332 T347 L351	I230-L311 HydrophobicContact CG2-CD2 3.69Å; V308-L311 WeakPolarHBondContact O-CB 3.31Å; V308-L311 PolarHBondContact O-N 3.07Å; V308-L311 VanDerWaalsContact O-N 3.1Å; E309-L311 VanDerWaalsContact C-N 3.28Å; E309-L311 PolarHBondContact O-N 3.43Å; L311-M314 HydrophobicContact CD2-CE 3.5Å; L311-M314 VanDerWaalsContact CD2-CE 3.5Å; L311-M314 HydrophobicContact CG-CE 4.45Å; L311-M314 PolarHBondContact O-N 2.81Å; L311-A315 WeakPolarHBondContact O-CB 3.48Å; L311-A315 PolarHBondContact O-N 3.16Å; L311-V330 HydrophobicContact CD1-CG1 4.22Å; L311-V330 HydrophobicContact CD2-CG1 4.25Å; L311-L332 HydrophobicContact CD1-CD2 3.3Å; L311-T347 HydrophobicContact CB-CG2 3.81Å; L311-L351 HydrophobicContact CB-CD1 4.31Å; L311-L351 HydrophobicContact CB-CD2 4.36Å; L311-L351 HydrophobicContact CD1-CD1 4.35Å
312	S	92.9	Very high	87.6	Confident	25 Å²	25	54.2 Å²	54.2	18%	0.175	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-44.2	177.2	-179.9	0	0	0	0	111.3	V308 E309 A310 M314 A315 Q316 E350	V308-S312 PolarHBondContact O-N 2.92Å; E309-S312 PolarHBondContact O-N 3.35Å; A310-S312 PolarHBondContact O-N 2.85Å; S312-M314 VanDerWaalsContact C-N 3.32Å; S312-M314 PolarHBondContact O-N 3.47Å; S312-A315 PolarHBondContact O-N 3.42Å; S312-Q316 WeakPolarHBondContact O-CB 3.42Å; S312-Q316 WeakPolarHBondContact O-CG 3.26Å; S312-Q316 PolarHBondContact O-N 3.13Å; S312-Q316 PolarHBondContact OG-NE2 3.29Å; S312-E350 PolarHBondContact OG-OE2 3.14Å
313	Q	92.9	Very high	88.2	Confident	65 Å²	65	56 Å²	56	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-41.3	175.9	-66.6	-177.7	24	0	0	112.3	E309 A310 Q316 H317 K318 H319	E309-Q313 WeakPolarHBondContact O-CG 3.27Å; E309-Q313 PolarHBondContact O-N 3.29Å; E309-Q313 PolarHBondContact OE1-NE2 2.81Å; E309-Q313 VanDerWaalsContact OE1-NE2 3.14Å; A310-Q313 PolarHBondContact O-N 3.11Å; Q313-Q316 PolarHBondContact O-N 2.98Å; Q313-H317 PolarHBondContact O-N 3.26Å; Q313-K318 PolarHBondContact O-N 3.28Å; Q313-H319 HydrophobicContact CB-CB 3.87Å; Q313-H319 PolarHBondContact O-N 2.68Å
314	M	94.7	Very high	89.4	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-39.2	177.7	-70.9	-170.4	-63.2	0	0	112.3	I230 L258 A300 A310 L311 S312 Q316 H317 H319 M322 I324	I230-M314 HydrophobicContact CG2-CE 4.07Å; L258-M314 HydrophobicContact CD2-CE 4.41Å; L258-M314 HydrophobicContact CD2-SD 3.58Å; L258-M314 VanDerWaalsContact CD2-SD 3.58Å; A300-M314 HydrophobicContact CB-CE 4.04Å; A310-M314 WeakPolarHBondContact O-CB 3.48Å; A310-M314 WeakPolarHBondContact O-CG 3.28Å; A310-M314 PolarHBondContact O-N 3.4Å; L311-M314 HydrophobicContact CD2-CE 3.5Å; L311-M314 VanDerWaalsContact CD2-CE 3.5Å; L311-M314 HydrophobicContact CG-CE 4.45Å; L311-M314 PolarHBondContact O-N 2.81Å; S312-M314 VanDerWaalsContact C-N 3.32Å; S312-M314 PolarHBondContact O-N 3.47Å; M314-Q316 VanDerWaalsContact C-N 3.34Å; M314-H317 PolarHBondContact O-N 3.44Å; M314-H319 HydrophobicContact CB-CB 4.36Å; M314-H319 HydrophobicContact CG-CB 3.64Å; M314-M322 WeakPolarHBondContact CG-O 3.43Å; M314-I324 HydrophobicContact CB-CD1 4.36Å; M314-I324 HydrophobicContact CB-CG1 4Å; M314-I324 PolarHBondContact O-N 2.94Å
315	A	95.1	Very high	90.5	Very high	8 Å²	8	49.3 Å²	49.3	7%	0.066	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-36.5	177.3	0	0	0	0	0	112.1	L311 S312 H317 E350 L351	L311-A315 WeakPolarHBondContact O-CB 3.48Å; L311-A315 PolarHBondContact O-N 3.16Å; S312-A315 PolarHBondContact O-N 3.42Å; A315-H317 PolarHBondContact O-N 3.24Å; A315-E350 HydrophobicContact CB-CB 3.72Å; A315-L351 HydrophobicContact CB-CD2 3.83Å; A315-L351 HydrophobicContact CB-CG 4.12Å
316	Q	94.3	Very high	91.5	Very high	74 Å²	74	57.3 Å²	57.3	35%	0.346	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	5.2	177.1	-65.2	179.3	11	0	0	113.5	S312 Q313 M314 K318 E350	S312-Q316 WeakPolarHBondContact O-CB 3.42Å; S312-Q316 WeakPolarHBondContact O-CG 3.26Å; S312-Q316 PolarHBondContact O-N 3.13Å; S312-Q316 PolarHBondContact OG-NE2 3.29Å; Q313-Q316 PolarHBondContact O-N 2.98Å; M314-Q316 VanDerWaalsContact C-N 3.34Å; Q316-K318 HydrophobicContact CB-CD 4.07Å; Q316-K318 HydrophobicContact CB-CG 4.16Å; Q316-K318 PolarHBondContact O-N 3.05Å; Q316-E350 PolarHBondContact NE2-OE1 2.91Å; Q316-E350 PolarHBondContact NE2-OE2 3.06Å
317	H	93.4	Very high	92.1	Very high	119 Å²	119	57.2 Å²	57.2	55%	0.551	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	31.7	-173.7	-63.6	-76.4	0	0	0	114.5	Q313 M314 A315 N323 I324	Q313-H317 PolarHBondContact O-N 3.26Å; M314-H317 PolarHBondContact O-N 3.44Å; A315-H317 PolarHBondContact O-N 3.24Å; H317-N323 VanDerWaalsContact CA-OD1 3.27Å; H317-N323 WeakPolarHBondContact CA-OD1 3.49Å; H317-I324 PolarHBondContact CE1-O 3.44Å; H317-I324 VanDerWaalsContact CE1-O 3.23Å
318	K	93.6	Very high	92.8	Very high	143 Å²	143	57.2 Å²	57.2	62%	0.622	28%	0.282	S	S	*	.			trans	-105.1	-11.4	-179.6	-69.6	176.5	-173.8	166.3	0	113.1	Q313 Q316 N323	Q313-K318 PolarHBondContact O-N 3.28Å; Q316-K318 HydrophobicContact CB-CD 4.07Å; Q316-K318 HydrophobicContact CB-CG 4.16Å; Q316-K318 PolarHBondContact O-N 3.05Å; K318-N323 PolarHBondContact N-OD1 3.25Å
319	H	92.6	Very high	93.3	Very high	27 Å²	27	57.4 Å²	57.4	13%	0.125	28%	0.284	C	S	.	.			trans	-75.9	130.3	-177.9	-172.2	-92	0	0	0	110	L258 Q313 M314 I321 M322 N323	L258-H319 VanDerWaalsContact CD1-CE1 3.45Å; L258-H319 WeakPolarHBondContact CD1-CE1 3.36Å; Q313-H319 HydrophobicContact CB-CB 3.87Å; Q313-H319 PolarHBondContact O-N 2.68Å; M314-H319 HydrophobicContact CB-CB 4.36Å; M314-H319 HydrophobicContact CG-CB 3.64Å; H319-I321 VanDerWaalsContact C-N 3.33Å; H319-I321 PolarHBondContact O-N 2.96Å; H319-M322 VanDerWaalsContact CB-O 3.3Å; H319-M322 WeakPolarHBondContact CB-O 3.36Å; H319-M322 PolarHBondContact ND1-N 3.44Å; H319-M322 PolarHBondContact ND1-O 2.94Å; H319-N323 PolarHBondContact N-OD1 2.9Å; H319-N323 VanDerWaalsContact N-OD1 3.07Å; H319-N323 PolarHBondContact O-ND2 2.97Å; H319-N323 PolarHBondContact O-OD1 3.27Å
320	K	89.6	Confident	93.8	Very high	211 Å²	211	53.9 Å²	53.9	92%	0.917	27%	0.267	S	S	*	.	S	Bend	trans	-70.8	-25.6	-165.1	-67.5	-179.2	179.4	176.9	0	114.6
321	I	91.3	Very high	94	Very high	104 Å²	104	54.4 Å²	54.4	53%	0.533	27%	0.269	S	S	.	.	S	Bend	trans	-103.7	-41.7	-169.8	-59.2	175.2	0	0	0	111.3	L258 I285 H319	L258-I321 HydrophobicContact CD1-CB 4.24Å; L258-I321 HydrophobicContact CD1-CD1 4.18Å; L258-I321 HydrophobicContact CD1-CG2 4.3Å; I285-I321 HydrophobicContact CG1-CG2 3.77Å; I285-I321 HydrophobicContact CG2-CG2 4Å; H319-I321 VanDerWaalsContact C-N 3.33Å; H319-I321 PolarHBondContact O-N 2.96Å
322	M	91	Very high	94	Very high	13 Å²	13	55.3 Å²	55.3	6%	0.064	27%	0.274	C	S	.	.			trans	-152.4	142.9	-171.1	-175.6	171.5	-76.9	0	0	108.2	I285 V288 I298 M314 H319	I285-M322 HydrophobicContact CD1-CE 3.74Å; I285-M322 HydrophobicContact CD1-SD 4.2Å; I285-M322 HydrophobicContact CG1-CE 4.36Å; V288-M322 HydrophobicContact CB-CE 3.84Å; V288-M322 HydrophobicContact CG1-CE 3.57Å; V288-M322 HydrophobicContact CG2-CE 4.19Å; I298-M322 HydrophobicContact CD1-CE 4.07Å; I298-M322 HydrophobicContact CD1-SD 3.48Å; I298-M322 WeakPolarHBondContact CD1-SD 3.32Å; I298-M322 HydrophobicContact CG1-CE 4.4Å; I298-M322 HydrophobicContact CG1-SD 4.01Å; I298-M322 HydrophobicContact CG2-SD 4.48Å; M314-M322 WeakPolarHBondContact CG-O 3.43Å; H319-M322 VanDerWaalsContact CB-O 3.3Å; H319-M322 WeakPolarHBondContact CB-O 3.36Å; H319-M322 PolarHBondContact ND1-N 3.44Å; H319-M322 PolarHBondContact ND1-O 2.94Å
323	N	95.2	Very high	93.9	Very high	41 Å²	41	54.2 Å²	54.2	22%	0.219	27%	0.266	C	S	.	.			trans	-133.2	164.8	175.8	-65.8	-70.6	0	0	0	109.6	R228 H317 K318 H319	R228-N323 PolarHBondContact NH2-O 2.86Å; H317-N323 VanDerWaalsContact CA-OD1 3.27Å; H317-N323 WeakPolarHBondContact CA-OD1 3.49Å; K318-N323 PolarHBondContact N-OD1 3.25Å; H319-N323 PolarHBondContact N-OD1 2.9Å; H319-N323 VanDerWaalsContact N-OD1 3.07Å; H319-N323 PolarHBondContact O-ND2 2.97Å; H319-N323 PolarHBondContact O-OD1 3.27Å
324	I	96.6	Very high	93.5	Very high	2 Å²	2	52 Å²	52	1%	0.01	26%	0.256	C	S	.	.			trans	-64.8	138.4	177.6	-62.1	-62.9	0	0	0	110.2	I230 M314 H317 V330 L351 A354 A356	I230-I324 HydrophobicContact CD1-CD1 3.43Å; I230-I324 VanDerWaalsContact CD1-CD1 3.43Å; M314-I324 HydrophobicContact CB-CD1 4.36Å; M314-I324 HydrophobicContact CB-CG1 4Å; M314-I324 PolarHBondContact O-N 2.94Å; H317-I324 PolarHBondContact CE1-O 3.44Å; H317-I324 VanDerWaalsContact CE1-O 3.23Å; I324-V330 HydrophobicContact CD1-CG2 4.22Å; I324-L351 HydrophobicContact CD1-CD2 3.65Å; I324-L351 HydrophobicContact CG1-CD2 3.68Å; I324-A354 HydrophobicContact CB-CB 3.94Å; I324-A354 HydrophobicContact CG2-CB 3.72Å; I324-A356 HydrophobicContact CG2-CB 3.76Å
325	E	94.4	Very high	92.7	Very high	71 Å²	71	54.2 Å²	54.2	33%	0.332	27%	0.27	S	S	.	.			trans	-120.5	158	171.3	-68.7	169	-147.9	0	0	110.8	R228 K293 G327 D328	R228-E325 VanDerWaalsContact CZ-CD 3.45Å; R228-E325 IonicContact CZ-OE1 3.14Å; R228-E325 VanDerWaalsContact CZ-OE1 3.29Å; R228-E325 IonicContact CZ-OE2 3.85Å; R228-E325 IonicContact NH1-OE1 2.84Å; R228-E325 PolarHBondContact NH1-OE1 3.38Å; R228-E325 IonicContact NH1-OE2 2.69Å; R228-E325 IonicContact NH2-OE1 3.99Å; R228-E325 PolarHBondContact NH2-OE1 3.2Å; R228-E325 VanDerWaalsContact NH2-OE1 3.14Å; R228-E325 IonicContact NH2-OE2 3.95Å; K293-E325 IonicContact NZ-OE2 3.84Å; K293-E325 PolarHBondContact NZ-OE2 3.1Å; E325-G327 PolarHBondContact O-N 3.49Å; E325-D328 PolarHBondContact N-OD2 2.85Å; E325-D328 WeakPolarHBondContact O-CB 3.25Å; E325-D328 PolarHBondContact O-N 3.11Å; E325-D328 VanDerWaalsContact O-N 3.11Å
326	E	94.1	Very high	91.5	Very high	172 Å²	172	56.1 Å²	56.1	80%	0.804	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	129	172.2	-169	175	-174.9	0	0	110.8
327	G	92.5	Very high	90.4	Very high	44 Å²	44	54.8 Å²	54.8	45%	0.454	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	-4.2	-177.8	0	0	0	0	0	114.9	E325 G355	E325-G327 PolarHBondContact O-N 3.49Å; G327-G355 PolarHBondContact N-O 3.24Å
328	D	97.1	Very high	89.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.291	C	S	.	.			trans	-63.8	146.5	168.1	-73.9	-16.9	0	0	0	110.8	R228 I230 E325 A356 H357	R228-D328 WeakPolarHBondContact CB-OD1 3.35Å; R228-D328 IonicContact CZ-OD1 2.72Å; R228-D328 IonicContact CZ-OD2 3.55Å; R228-D328 IonicContact NE-OD1 3.99Å; R228-D328 PolarHBondContact NE-OD1 2.92Å; R228-D328 IonicContact NE-OD2 2.92Å; R228-D328 IonicContact NH2-OD1 3.9Å; R228-D328 PolarHBondContact NH2-OD1 2.93Å; R228-D328 IonicContact NH2-OD2 2.75Å; R228-D328 PolarHBondContact NH2-OD2 2.72Å; I230-D328 HydrophobicContact CD1-CB 4.43Å; E325-D328 PolarHBondContact N-OD2 2.85Å; E325-D328 WeakPolarHBondContact O-CB 3.25Å; E325-D328 PolarHBondContact O-N 3.11Å; E325-D328 VanDerWaalsContact O-N 3.11Å; D328-A356 CarbonylContact O-C 3.51Å; D328-A356 WeakPolarHBondContact O-CA 3.44Å; D328-H357 PolarHBondContact O-N 2.77Å
329	S	98	Very high	88.2	Confident	10 Å²	10	52.1 Å²	52.1	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.5	170.5	-62.1	0	0	0	0	110.4	R228 L229 I230 H357	R228-S329 PolarHBondContact O-N 3.3Å; L229-S329 CarbonylContact C-O 3.59Å; L229-S329 WeakPolarHBondContact CA-O 3.44Å; I230-S329 PolarHBondContact N-O 3.24Å; S329-H357 CarbonylContact C-O 3.6Å; S329-H357 VanDerWaalsContact CA-O 3.24Å; S329-H357 WeakPolarHBondContact CA-O 3.45Å
330	V	97	Very high	87.5	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.2	-178.1	-178.6	0	0	0	0	109.9	I230 L311 I324 L351 A356 H357 I358 I359	I230-V330 HydrophobicContact CB-CG2 4.25Å; I230-V330 HydrophobicContact CD1-CG2 4.49Å; I230-V330 CarbonylContact O-C 3.45Å; I230-V330 VanDerWaalsContact O-CA 3.3Å; I230-V330 WeakPolarHBondContact O-CA 3.22Å; L311-V330 HydrophobicContact CD1-CG1 4.22Å; L311-V330 HydrophobicContact CD2-CG1 4.25Å; I324-V330 HydrophobicContact CD1-CG2 4.22Å; V330-L351 HydrophobicContact CG1-CD1 4.01Å; V330-L351 HydrophobicContact CG2-CD1 4.48Å; V330-L351 HydrophobicContact CG2-CD2 4.22Å; V330-A356 HydrophobicContact CG2-CB 3.87Å; V330-H357 PolarHBondContact N-O 3.37Å; V330-I358 HydrophobicContact CB-CD1 4.05Å; V330-I359 PolarHBondContact O-N 3.27Å
331	F	94.9	Very high	87.2	Confident	13 Å²	13	47.7 Å²	47.7	6%	0.057	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.1	174	-175	-102.8	0	0	0	110.8	M218 F222 L229 I230 V231 S232 A333 I359 N361	M218-F331 HydrophobicContact CE-CE1 4.07Å; M218-F331 HydrophobicContact CG-CE1 3.8Å; M218-F331 HydrophobicContact CG-CZ 3.82Å; M218-F331 HydrophobicContact SD-CE1 4.15Å; F222-F331 HydrophobicContact CE1-CB 3.76Å; F222-F331 AromaticContact CE1-CD1 3.65Å; F222-F331 HydrophobicContact CE1-CD1 3.65Å; F222-F331 HydrophobicContact CE1-CD2 4.05Å; F222-F331 HydrophobicContact CE1-CE1 4.21Å; F222-F331 AromaticContact CE1-CG 3.55Å; F222-F331 HydrophobicContact CE1-CG 3.55Å; F222-F331 HydrophobicContact CZ-CB 4.28Å; F222-F331 AromaticContact CZ-CD1 3.71Å; F222-F331 HydrophobicContact CZ-CD1 3.71Å; F222-F331 HydrophobicContact CZ-CE1 4.24Å; F222-F331 HydrophobicContact CZ-CG 4.07Å; L229-F331 HydrophobicContact CD1-CB 4.31Å; I230-F331 PolarHBondContact O-N 3.5Å; V231-F331 WeakPolarHBondContact CA-O 3.29Å; V231-F331 HydrophobicContact CG1-CD1 4.25Å; S232-F331 PolarHBondContact N-O 3.44Å; F331-A333 HydrophobicContact CD1-CB 3.75Å; F331-A333 HydrophobicContact CE1-CB 3.58Å; F331-A333 PolarHBondContact O-N 3.05Å; F331-I359 HydrophobicContact CB-CB 4.37Å; F331-I359 HydrophobicContact CB-CD1 4.31Å; F331-I359 HydrophobicContact CD2-CB 3.89Å; F331-I359 HydrophobicContact CD2-CG2 3.65Å; F331-I359 HydrophobicContact CE2-CG2 4.22Å; F331-N361 WeakPolarHBondContact CE2-OD1 3.23Å; F331-N361 WeakPolarHBondContact CZ-OD1 3.23Å
332	L	92.4	Very high	87	Confident	18 Å²	18	47.6 Å²	47.6	9%	0.094	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	98.4	174.4	-67.9	-179.9	0	0	0	109.4	L311 I334 I344 L348 N361	L311-L332 HydrophobicContact CD1-CD2 3.3Å; L332-I334 HydrophobicContact CB-CG1 4.32Å; L332-I334 PolarHBondContact O-N 3.12Å; L332-I344 HydrophobicContact CD1-CG2 3.69Å; L332-L348 HydrophobicContact CD1-CD1 4.12Å; L332-L348 HydrophobicContact CD1-CD2 3.61Å; L332-L348 HydrophobicContact CD1-CG 3.97Å; L332-L348 HydrophobicContact CG-CD2 4.28Å; L332-N361 PolarHBondContact O-ND2 3.19Å
333	A	90.5	Very high	86.8	Confident	2 Å²	2	50.5 Å²	50.5	2%	0.017	30%	0.295	C	S	.	.			trans	-86.1	50.6	-179.7	0	0	0	0	0	112	V231 S232 C233 R240 F331	V231-A333 HydrophobicContact CG1-CB 4.01Å; S232-A333 WeakPolarHBondContact O-CA 3.42Å; S232-A333 VanDerWaalsContact O-CB 3.31Å; S232-A333 WeakPolarHBondContact O-CB 3.42Å; S232-A333 PolarHBondContact O-N 2.6Å; C233-A333 HydrophobicContact CB-CB 4.19Å; R240-A333 HydrophobicContact CG-CB 3.76Å; R240-A333 VanDerWaalsContact NH1-C 3.27Å; R240-A333 PolarHBondContact NH1-O 3.34Å; F331-A333 HydrophobicContact CD1-CB 3.75Å; F331-A333 HydrophobicContact CE1-CB 3.58Å; F331-A333 PolarHBondContact O-N 3.05Å
334	I	85.3	Confident	86.5	Confident	18 Å²	18	49.4 Å²	49.4	9%	0.092	29%	0.289	C	S	.	.	S	Bend	trans	-132.4	155.6	-179.3	60.9	170.9	0	0	0	111.1	Y234 P307 L332 I344	Y234-I334 HydrophobicContact CD2-CG2 3.89Å; Y234-I334 HydrophobicContact CE2-CB 4.16Å; Y234-I334 HydrophobicContact CE2-CG2 3.8Å; P307-I334 HydrophobicContact CB-CD1 4.02Å; P307-I334 HydrophobicContact CB-CG2 3.76Å; P307-I334 HydrophobicContact CG-CD1 3.75Å; P307-I334 HydrophobicContact CG-CG2 3.96Å; L332-I334 HydrophobicContact CB-CG1 4.32Å; L332-I334 PolarHBondContact O-N 3.12Å; I334-I344 HydrophobicContact CD1-CD1 3.78Å; I334-I344 HydrophobicContact CD1-CG1 4.4Å
335	T	77.6	Confident	86.2	Confident	48 Å²	48	51.4 Å²	51.4	29%	0.294	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-92.8	119.9	162.3	-58.1	0	0	0	0	106.7	S337 A367	T335-S337 PolarHBondContact O-N 3.13Å; T335-A367 PolarHBondContact OG1-O 2.86Å
336	A	70.9	Confident	86.1	Confident	48 Å²	48	52.4 Å²	52.4	40%	0.397	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-68.3	125.9	-178.9	0	0	0	0	0	110.2	E341 I344	A336-E341 HydrophobicContact CB-CG 4.49Å; A336-I344 HydrophobicContact CB-CD1 3.62Å
337	S	70.5	Confident	86	Confident	46 Å²	46	44.5 Å²	44.5	32%	0.322	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-76.1	154.6	163.9	55.4	0	0	0	0	109.9	T335 N339 M340 E341	T335-S337 PolarHBondContact O-N 3.13Å; S337-N339 VanDerWaalsContact CB-OD1 3.26Å; S337-N339 WeakPolarHBondContact CB-OD1 3.08Å; S337-N339 PolarHBondContact O-N 3Å; S337-N339 PolarHBondContact OG-OD1 2.86Å; S337-M340 PolarHBondContact O-N 3.07Å; S337-M340 VanDerWaalsContact OG-CG 3.28Å; S337-M340 WeakPolarHBondContact OG-CG 3.38Å; S337-E341 PolarHBondContact O-N 3Å
338	A	70.9	Confident	86.1	Confident	83 Å²	83	44.5 Å²	44.5	69%	0.686	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-57	-37.2	-175	0	0	0	0	0	113.2	M340	A338-M340 VanDerWaalsContact C-N 3.31Å; A338-M340 PolarHBondContact O-N 2.88Å
339	N	69.8	Low	86	Confident	122 Å²	122	48.6 Å²	48.6	65%	0.652	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-71.2	-21.6	177.7	62.3	-16.9	0	0	0	113.7	S337	S337-N339 VanDerWaalsContact CB-OD1 3.26Å; S337-N339 WeakPolarHBondContact CB-OD1 3.08Å; S337-N339 PolarHBondContact O-N 3Å; S337-N339 PolarHBondContact OG-OD1 2.86Å
340	M	78.5	Confident	85.9	Confident	21 Å²	21	50.4 Å²	50.4	10%	0.103	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-93.6	-9.2	-178.5	-67.6	-173.7	84.3	0	0	113.6	Y234 P307 V308 S337 A338 V342 I343 I344	Y234-M340 PolarHBondContact OH-SD 3.45Å; Y234-M340 VanDerWaalsContact OH-SD 3.38Å; P307-M340 HydrophobicContact CG-CE 4.16Å; V308-M340 HydrophobicContact CG2-CE 4.14Å; S337-M340 PolarHBondContact O-N 3.07Å; S337-M340 VanDerWaalsContact OG-CG 3.28Å; S337-M340 WeakPolarHBondContact OG-CG 3.38Å; A338-M340 VanDerWaalsContact C-N 3.31Å; A338-M340 PolarHBondContact O-N 2.88Å; M340-V342 VanDerWaalsContact C-N 3.33Å; M340-V342 PolarHBondContact O-N 2.98Å; M340-I343 PolarHBondContact O-N 2.97Å; M340-I344 HydrophobicContact CB-CD1 3.83Å; M340-I344 HydrophobicContact CB-CG1 4.31Å; M340-I344 WeakPolarHBondContact O-CB 3.48Å; M340-I344 VanDerWaalsContact O-CG1 3.28Å; M340-I344 WeakPolarHBondContact O-CG1 3.18Å; M340-I344 PolarHBondContact O-N 2.73Å
341	E	83	Confident	85.8	Confident	124 Å²	124	50.4 Å²	50.4	58%	0.579	30%	0.295	S	S	*	.	H	α-helix	trans	-57.3	-44.1	-172.9	-69.5	-168.4	163	0	0	112.8	A336 S337 A345	A336-E341 HydrophobicContact CB-CG 4.49Å; S337-E341 PolarHBondContact O-N 3Å; E341-A345 VanDerWaalsContact O-CB 3.27Å; E341-A345 WeakPolarHBondContact O-CB 3.42Å; E341-A345 PolarHBondContact O-N 2.8Å
342	V	86.4	Confident	85.9	Confident	102 Å²	102	53.8 Å²	53.8	62%	0.618	32%	0.317	S	S	*	.	H	α-helix	trans	-67.1	-44.4	179.7	178	0	0	0	0	111	M340 A345 N346	M340-V342 VanDerWaalsContact C-N 3.33Å; M340-V342 PolarHBondContact O-N 2.98Å; V342-A345 PolarHBondContact O-N 2.76Å; V342-N346 WeakPolarHBondContact O-CB 3.48Å; V342-N346 VanDerWaalsContact O-CG 3.31Å; V342-N346 PolarHBondContact O-N 2.72Å; V342-N346 PolarHBondContact O-ND2 2.9Å
343	I	86.4	Confident	86	Confident	75 Å²	75	62.9 Å²	62.9	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-48.5	179.1	-61.4	173.5	0	0	0	109.8	V308 M340 A345 N346 T347	V308-I343 HydrophobicContact CG1-CG2 4.24Å; M340-I343 PolarHBondContact O-N 2.97Å; I343-A345 PolarHBondContact O-N 3.08Å; I343-N346 PolarHBondContact O-N 3.11Å; I343-T347 PolarHBondContact O-N 3.28Å; I343-T347 PolarHBondContact O-OG1 2.76Å
344	I	88.9	Confident	86.3	Confident	17 Å²	17	63.7 Å²	63.7	9%	0.087	36%	0.357	C	S	.	.	H	α-helix	trans	-59	-48.2	177.1	-70.2	165.4	0	0	0	110.4	V308 L332 I334 A336 M340 N346 T347 L348	V308-I344 HydrophobicContact CG2-CG1 3.77Å; L332-I344 HydrophobicContact CD1-CG2 3.69Å; I334-I344 HydrophobicContact CD1-CD1 3.78Å; I334-I344 HydrophobicContact CD1-CG1 4.4Å; A336-I344 HydrophobicContact CB-CD1 3.62Å; M340-I344 HydrophobicContact CB-CD1 3.83Å; M340-I344 HydrophobicContact CB-CG1 4.31Å; M340-I344 WeakPolarHBondContact O-CB 3.48Å; M340-I344 VanDerWaalsContact O-CG1 3.28Å; M340-I344 WeakPolarHBondContact O-CG1 3.18Å; M340-I344 PolarHBondContact O-N 2.73Å; I344-N346 VanDerWaalsContact C-N 3.33Å; I344-N346 PolarHBondContact O-N 3.46Å; I344-T347 PolarHBondContact O-N 3.38Å; I344-L348 HydrophobicContact CG2-CD1 3.96Å; I344-L348 HydrophobicContact CG2-CG 4.27Å; I344-L348 WeakPolarHBondContact O-CB 3.39Å; I344-L348 VanDerWaalsContact O-CG 3.27Å; I344-L348 WeakPolarHBondContact O-CG 3.32Å; I344-L348 PolarHBondContact O-N 2.76Å
345	A	90.8	Very high	86.7	Confident	45 Å²	45	64.3 Å²	64.3	37%	0.372	37%	0.367	S	S	.	.	H	α-helix	trans	-60.7	-42.6	-179.7	0	0	0	0	0	112	E341 V342 I343 L348 N349	E341-A345 VanDerWaalsContact O-CB 3.27Å; E341-A345 WeakPolarHBondContact O-CB 3.42Å; E341-A345 PolarHBondContact O-N 2.8Å; V342-A345 PolarHBondContact O-N 2.76Å; I343-A345 PolarHBondContact O-N 3.08Å; A345-L348 PolarHBondContact O-N 3.05Å; A345-N349 PolarHBondContact O-N 2.99Å; A345-N349 PolarHBondContact O-ND2 3.19Å
346	N	92.6	Very high	87.7	Confident	91 Å²	91	62.4 Å²	62.4	49%	0.487	36%	0.356	S	S	.	.	H	α-helix	trans	-63.8	-46.8	176.8	-74.5	-24.6	0	0	0	111.7	V342 I343 I344 L348 N349 E350	V342-N346 WeakPolarHBondContact O-CB 3.48Å; V342-N346 VanDerWaalsContact O-CG 3.31Å; V342-N346 PolarHBondContact O-N 2.72Å; V342-N346 PolarHBondContact O-ND2 2.9Å; I343-N346 PolarHBondContact O-N 3.11Å; I344-N346 VanDerWaalsContact C-N 3.33Å; I344-N346 PolarHBondContact O-N 3.46Å; N346-L348 VanDerWaalsContact C-N 3.34Å; N346-L348 PolarHBondContact O-N 3.38Å; N346-N349 WeakPolarHBondContact O-CB 3.46Å; N346-N349 PolarHBondContact O-N 3.38Å; N346-N349 VanDerWaalsContact O-N 3.14Å; N346-E350 WeakPolarHBondContact O-CG 3.36Å; N346-E350 PolarHBondContact O-N 3.19Å
347	T	93	Very high	88.9	Confident	7 Å²	7	65.5 Å²	65.5	4%	0.043	36%	0.363	C	S	.	.	H	α-helix	trans	-64.2	-38.9	177.6	-58.6	0	0	0	0	112.2	V308 L311 I343 I344 N349 E350 L351	V308-T347 HydrophobicContact CG1-CG2 3.54Å; V308-T347 WeakPolarHBondContact CG1-OG1 3.42Å; L311-T347 HydrophobicContact CB-CG2 3.81Å; I343-T347 PolarHBondContact O-N 3.28Å; I343-T347 PolarHBondContact O-OG1 2.76Å; I344-T347 PolarHBondContact O-N 3.38Å; T347-N349 VanDerWaalsContact C-N 3.3Å; T347-N349 PolarHBondContact O-N 2.87Å; T347-E350 PolarHBondContact O-N 3.23Å; T347-L351 HydrophobicContact CG2-CD1 4.03Å; T347-L351 HydrophobicContact CG2-CG 4.27Å; T347-L351 WeakPolarHBondContact O-CB 3.03Å; T347-L351 WeakPolarHBondContact O-CG 3.35Å; T347-L351 PolarHBondContact O-N 3.3Å
348	L	93.1	Very high	90.1	Very high	43 Å²	43	65.3 Å²	65.3	23%	0.225	36%	0.358	C	S	.	.	H	α-helix	trans	-59.6	-41.1	173.1	-72.3	178.8	0	0	0	111.9	L332 I344 A345 N346 L351 V352 I358	L332-L348 HydrophobicContact CD1-CD1 4.12Å; L332-L348 HydrophobicContact CD1-CD2 3.61Å; L332-L348 HydrophobicContact CD1-CG 3.97Å; L332-L348 HydrophobicContact CG-CD2 4.28Å; I344-L348 HydrophobicContact CG2-CD1 3.96Å; I344-L348 HydrophobicContact CG2-CG 4.27Å; I344-L348 WeakPolarHBondContact O-CB 3.39Å; I344-L348 VanDerWaalsContact O-CG 3.27Å; I344-L348 WeakPolarHBondContact O-CG 3.32Å; I344-L348 PolarHBondContact O-N 2.76Å; A345-L348 PolarHBondContact O-N 3.05Å; N346-L348 VanDerWaalsContact C-N 3.34Å; N346-L348 PolarHBondContact O-N 3.38Å; L348-L351 HydrophobicContact CD2-CD1 4.18Å; L348-L351 PolarHBondContact O-N 2.97Å; L348-V352 WeakPolarHBondContact O-CG2 3.34Å; L348-V352 PolarHBondContact O-N 3.16Å; L348-I358 HydrophobicContact CD2-CD1 3.85Å; L348-I358 HydrophobicContact CD2-CG1 4.08Å; L348-I358 HydrophobicContact CD2-CG2 3.68Å
349	N	95	Very high	91.2	Very high	87 Å²	87	62 Å²	62	47%	0.465	33%	0.328	S	S	.	.	H	α-helix	trans	-63.1	-41.6	175	-74.2	-39.5	0	0	0	112.2	A345 N346 T347 R353	A345-N349 PolarHBondContact O-N 2.99Å; A345-N349 PolarHBondContact O-ND2 3.19Å; N346-N349 WeakPolarHBondContact O-CB 3.46Å; N346-N349 PolarHBondContact O-N 3.38Å; N346-N349 VanDerWaalsContact O-N 3.14Å; T347-N349 VanDerWaalsContact C-N 3.3Å; T347-N349 PolarHBondContact O-N 2.87Å; N349-R353 VanDerWaalsContact O-CG 3.31Å; N349-R353 WeakPolarHBondContact O-CG 3.45Å; N349-R353 PolarHBondContact O-N 2.88Å
350	E	95.9	Very high	92.1	Very high	48 Å²	48	61.2 Å²	61.2	22%	0.224	33%	0.329	C	S	.	.	H	α-helix	trans	-63.2	-44.7	175.9	-66.9	-178.8	151.2	0	0	111.6	S312 A315 Q316 N346 T347 V352 R353 A354	S312-E350 PolarHBondContact OG-OE2 3.14Å; A315-E350 HydrophobicContact CB-CB 3.72Å; Q316-E350 PolarHBondContact NE2-OE1 2.91Å; Q316-E350 PolarHBondContact NE2-OE2 3.06Å; N346-E350 WeakPolarHBondContact O-CG 3.36Å; N346-E350 PolarHBondContact O-N 3.19Å; T347-E350 PolarHBondContact O-N 3.23Å; E350-V352 PolarHBondContact O-N 3.44Å; E350-R353 WeakPolarHBondContact O-CB 3.34Å; E350-R353 PolarHBondContact O-N 3.48Å; E350-A354 PolarHBondContact O-N 3.44Å
351	L	96	Very high	92.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-60.3	-45	178	-70.9	166.1	0	0	0	111.6	L311 A315 I324 V330 T347 L348 R353 A354 G355 A356 I358	L311-L351 HydrophobicContact CB-CD1 4.31Å; L311-L351 HydrophobicContact CB-CD2 4.36Å; L311-L351 HydrophobicContact CD1-CD1 4.35Å; A315-L351 HydrophobicContact CB-CD2 3.83Å; A315-L351 HydrophobicContact CB-CG 4.12Å; I324-L351 HydrophobicContact CD1-CD2 3.65Å; I324-L351 HydrophobicContact CG1-CD2 3.68Å; V330-L351 HydrophobicContact CG1-CD1 4.01Å; V330-L351 HydrophobicContact CG2-CD1 4.48Å; V330-L351 HydrophobicContact CG2-CD2 4.22Å; T347-L351 HydrophobicContact CG2-CD1 4.03Å; T347-L351 HydrophobicContact CG2-CG 4.27Å; T347-L351 WeakPolarHBondContact O-CB 3.03Å; T347-L351 WeakPolarHBondContact O-CG 3.35Å; T347-L351 PolarHBondContact O-N 3.3Å; L348-L351 HydrophobicContact CD2-CD1 4.18Å; L348-L351 PolarHBondContact O-N 2.97Å; L351-R353 VanDerWaalsContact C-N 3.34Å; L351-R353 PolarHBondContact O-N 2.76Å; L351-A354 PolarHBondContact O-N 2.96Å; L351-G355 PolarHBondContact O-N 3.4Å; L351-A356 HydrophobicContact CB-CB 4.28Å; L351-A356 WeakPolarHBondContact O-CB 3.49Å; L351-A356 PolarHBondContact O-N 2.83Å; L351-I358 HydrophobicContact CB-CD1 3.8Å; L351-I358 HydrophobicContact CD1-CD1 4.1Å
352	V	96.1	Very high	92	Very high	84 Å²	84	61 Å²	61	51%	0.509	33%	0.333	S	S	.	.	H	α-helix	trans	-62.9	-41.9	176	173.1	0	0	0	0	111	L348 E350 A354 G355 I358	L348-V352 WeakPolarHBondContact O-CG2 3.34Å; L348-V352 PolarHBondContact O-N 3.16Å; E350-V352 PolarHBondContact O-N 3.44Å; V352-A354 VanDerWaalsContact C-N 3.25Å; V352-A354 PolarHBondContact O-N 2.92Å; V352-G355 PolarHBondContact O-N 2.81Å; V352-I358 HydrophobicContact CG2-CD1 4.28Å; V352-I358 HydrophobicContact CG2-CG1 3.55Å
353	R	95.7	Very high	91.5	Very high	209 Å²	209	66.1 Å²	66.1	79%	0.789	35%	0.347	S	S	*	.	H	α-helix	trans	-62.4	-32.9	175.4	-74.6	175.2	-173.3	162.6	3.3	112.6	N349 E350 L351 G355	N349-R353 VanDerWaalsContact O-CG 3.31Å; N349-R353 WeakPolarHBondContact O-CG 3.45Å; N349-R353 PolarHBondContact O-N 2.88Å; E350-R353 WeakPolarHBondContact O-CB 3.34Å; E350-R353 PolarHBondContact O-N 3.48Å; L351-R353 VanDerWaalsContact C-N 3.34Å; L351-R353 PolarHBondContact O-N 2.76Å; R353-G355 PolarHBondContact O-N 2.87Å
354	A	95.6	Very high	91.1	Very high	20 Å²	20	71.3 Å²	71.3	17%	0.165	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-2.4	175.3	0	0	0	0	0	113.7	I324 E350 L351 V352	I324-A354 HydrophobicContact CB-CB 3.94Å; I324-A354 HydrophobicContact CG2-CB 3.72Å; E350-A354 PolarHBondContact O-N 3.44Å; L351-A354 PolarHBondContact O-N 2.96Å; V352-A354 VanDerWaalsContact C-N 3.25Å; V352-A354 PolarHBondContact O-N 2.92Å
355	G	94.8	Very high	90.8	Very high	30 Å²	30	72.4 Å²	72.4	31%	0.309	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	10	176.4	0	0	0	0	0	115.2	G327 L351 V352 R353	G327-G355 PolarHBondContact N-O 3.24Å; L351-G355 PolarHBondContact O-N 3.4Å; V352-G355 PolarHBondContact O-N 2.81Å; R353-G355 PolarHBondContact O-N 2.87Å
356	A	97.1	Very high	90.5	Very high	8 Å²	8	71.3 Å²	71.3	7%	0.066	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-78.1	142.5	174.5	0	0	0	0	0	112.3	I324 D328 V330 L351	I324-A356 HydrophobicContact CG2-CB 3.76Å; D328-A356 CarbonylContact O-C 3.51Å; D328-A356 WeakPolarHBondContact O-CA 3.44Å; V330-A356 HydrophobicContact CG2-CB 3.87Å; L351-A356 HydrophobicContact CB-CB 4.28Å; L351-A356 WeakPolarHBondContact O-CB 3.49Å; L351-A356 PolarHBondContact O-N 2.83Å
357	H	97.1	Very high	90.1	Very high	114 Å²	114	67.6 Å²	67.6	53%	0.528	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	116.9	167.6	175.8	-85.7	0	0	0	110.6	D328 S329 V330 I359	D328-H357 PolarHBondContact O-N 2.77Å; S329-H357 CarbonylContact C-O 3.6Å; S329-H357 VanDerWaalsContact CA-O 3.24Å; S329-H357 WeakPolarHBondContact CA-O 3.45Å; V330-H357 PolarHBondContact N-O 3.37Å; H357-I359 PolarHBondContact O-N 3.08Å
358	I	95.7	Very high	90	Very high	42 Å²	42	67.6 Å²	67.6	22%	0.215	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	120.7	177.1	-51.5	-52.8	0	0	0	109.9	V330 L348 L351 V352 P360	V330-I358 HydrophobicContact CB-CD1 4.05Å; L348-I358 HydrophobicContact CD2-CD1 3.85Å; L348-I358 HydrophobicContact CD2-CG1 4.08Å; L348-I358 HydrophobicContact CD2-CG2 3.68Å; L351-I358 HydrophobicContact CB-CD1 3.8Å; L351-I358 HydrophobicContact CD1-CD1 4.1Å; V352-I358 HydrophobicContact CG2-CD1 4.28Å; V352-I358 HydrophobicContact CG2-CG1 3.55Å; I358-P360 WeakPolarHBondContact O-CD 3.48Å
359	I	94.1	Very high	90	Very high	13 Å²	13	66.6 Å²	66.6	7%	0.067	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-78.6	119	173.7	-58.6	179.6	0	0	0	108	A221 F222 V225 L229 V330 F331 H357	A221-I359 HydrophobicContact CB-CG2 3.81Å; F222-I359 HydrophobicContact CD1-CD1 4.49Å; V225-I359 HydrophobicContact CG2-CD1 3.47Å; V225-I359 VanDerWaalsContact CG2-CD1 3.47Å; L229-I359 HydrophobicContact CD1-CD1 3.72Å; V330-I359 PolarHBondContact O-N 3.27Å; F331-I359 HydrophobicContact CB-CB 4.37Å; F331-I359 HydrophobicContact CB-CD1 4.31Å; F331-I359 HydrophobicContact CD2-CB 3.89Å; F331-I359 HydrophobicContact CD2-CG2 3.65Å; F331-I359 HydrophobicContact CE2-CG2 4.22Å; H357-I359 PolarHBondContact O-N 3.08Å
360	P	87.7	Confident	90	Very high	105 Å²	105	63.7 Å²	63.7	68%	0.682	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-70.9	136.2	-176.7	28	-33.7	0	0	0	111.4	I358	I358-P360 WeakPolarHBondContact O-CD 3.48Å
361	N	81.2	Confident	90	Very high	75 Å²	75	61.5 Å²	61.5	40%	0.401	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-74.9	144	167.5	-85	-19	0	0	0	111.3	F331 L332 K363	F331-N361 WeakPolarHBondContact CE2-OD1 3.23Å; F331-N361 WeakPolarHBondContact CZ-OD1 3.23Å; L332-N361 PolarHBondContact O-ND2 3.19Å; N361-K363 PolarHBondContact O-N 3.23Å
362	N	78.8	Confident	90.1	Very high	66 Å²	66	61.5 Å²	61.5	35%	0.353	31%	0.312	S	S	.	.			trans	-73.7	108.4	170.9	-178.9	-2.5	0	0	0	109.3	K364 I365	N362-K364 PolarHBondContact O-N 3.18Å; N362-K364 WeakPolarHBondContact OD1-CB 3.33Å; N362-K364 PolarHBondContact OD1-N 2.88Å; N362-K364 VanDerWaalsContact OD1-N 3.07Å; N362-I365 HydrophobicContact CB-CD1 3.7Å; N362-I365 HydrophobicContact CB-CG1 3.89Å; N362-I365 WeakPolarHBondContact O-CB 3.12Å; N362-I365 PolarHBondContact O-N 3.1Å
363	K	76.3	Confident	90.2	Very high	209 Å²	209	59.8 Å²	59.8	91%	0.909	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-15.2	-179.5	-62.7	-171.8	178.5	-171.8	0	114.6	N361	N361-K363 PolarHBondContact O-N 3.23Å
364	K	77.7	Confident	90.3	Very high	184 Å²	184	52.9 Å²	52.9	80%	0.8	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.6	175.4	-62.8	-176.2	177.7	-177.9	0	113.2	N362	N362-K364 PolarHBondContact O-N 3.18Å; N362-K364 WeakPolarHBondContact OD1-CB 3.33Å; N362-K364 PolarHBondContact OD1-N 2.88Å; N362-K364 VanDerWaalsContact OD1-N 3.07Å
365	I	82.5	Confident	90.4	Very high	40 Å²	40	52 Å²	52	21%	0.205	27%	0.268	C	S	.	.			trans	-82.3	121.3	177.3	-62.9	175.9	0	0	0	107.6	T209 I214 H217 N362 A367	T209-I365 HydrophobicContact CG2-CG2 4.13Å; I214-I365 HydrophobicContact CD1-CG2 4.47Å; I214-I365 HydrophobicContact CG1-CG2 3.77Å; H217-I365 HydrophobicContact CB-CD1 3.62Å; H217-I365 WeakPolarHBondContact CD2-CD1 3.35Å; H217-I365 VanDerWaalsContact CG-CD1 3.45Å; N362-I365 HydrophobicContact CB-CD1 3.7Å; N362-I365 HydrophobicContact CB-CG1 3.89Å; N362-I365 WeakPolarHBondContact O-CB 3.12Å; N362-I365 PolarHBondContact O-N 3.1Å; I365-A367 HydrophobicContact CG2-CB 4.14Å
366	H	83.5	Confident	90.6	Very high	22 Å²	22	50.6 Å²	50.6	10%	0.102	25%	0.253	C	S	.	.			trans	-111.2	108.5	167.8	-178.3	69.8	0	0	0	107.6	E201 N208 T209 S368 C372	E201-H366 IonicContact OE1-CE1 2.78Å; E201-H366 PolarHBondContact OE1-CE1 2.79Å; E201-H366 IonicContact OE1-NE2 3.42Å; E201-H366 IonicContact OE2-CE1 3.92Å; E201-H366 IonicContact OE2-NE2 2.79Å; N208-H366 PolarHBondContact OD1-CD2 3.3Å; T209-H366 VanDerWaalsContact CB-O 3.26Å; T209-H366 WeakPolarHBondContact CB-O 3.14Å; T209-H366 PolarHBondContact N-O 2.84Å; T209-H366 PolarHBondContact OG1-N 2.95Å; T209-H366 PolarHBondContact OG1-O 3.22Å; T209-H366 VanDerWaalsContact OG1-O 3.12Å; H366-S368 WeakPolarHBondContact NE2-CB 3.39Å; H366-C372 PolarHBondContact CD2-SG 2.96Å
367	A	84.8	Confident	90.6	Very high	13 Å²	13	52.1 Å²	52.1	11%	0.107	26%	0.258	C	S	.	.			trans	-115.7	61.1	-173.4	0	0	0	0	0	109.1	I214 T335 I365	I214-A367 HydrophobicContact CD1-CB 3.33Å; I214-A367 HydrophobicContact CG1-CB 4.09Å; T335-A367 PolarHBondContact OG1-O 2.86Å; I365-A367 HydrophobicContact CG2-CB 4.14Å
368	S	91.1	Very high	90.7	Very high	8 Å²	8	49.7 Å²	49.7	6%	0.056	25%	0.248	C	C	.	.			trans	-77.9	158.4	175.3	-163.1	0	0	0	0	110.4	K168 E201 N208 H366 H370	K168-S368 WeakPolarHBondContact CD-O 3.44Å; K168-S368 PolarHBondContact NZ-O 2.73Å; E201-S368 VanDerWaalsContact CG-OG 3.32Å; E201-S368 WeakPolarHBondContact CG-OG 3.48Å; E201-S368 WeakPolarHBondContact OE1-CB 3.2Å; E201-S368 PolarHBondContact OE1-OG 2.88Å; N208-S368 WeakPolarHBondContact OD1-CA 3.42Å; N208-S368 VanDerWaalsContact OD1-CB 3.28Å; N208-S368 WeakPolarHBondContact OD1-CB 3.28Å; N208-S368 PolarHBondContact OD1-N 3.44Å; N208-S368 PolarHBondContact OD1-O 3.37Å; H366-S368 WeakPolarHBondContact NE2-CB 3.39Å; S368-H370 VanDerWaalsContact C-N 3.29Å; S368-H370 PolarHBondContact OG-N 2.86Å
369	S	92.5	Very high	90.8	Very high	21 Å²	21	47.7 Å²	47.7	15%	0.147	24%	0.238	C	C	.	.	S	Bend	trans	-84.1	-13.7	168.1	-49.9	0	0	0	0	111.2	H144 S145	H144-S369 WeakPolarHBondContact CE1-CB 3.36Å; H144-S369 WeakPolarHBondContact ND1-CB 3.44Å; H144-S369 PolarHBondContact ND1-O 2.79Å; S145-S369 VanDerWaalsContact CB-OG 3.26Å; S145-S369 WeakPolarHBondContact CB-OG 3.4Å; S145-S369 PolarHBondContact OG-OG 2.92Å
370	H	95.2	Very high	91	Very high	27 Å²	27	47.2 Å²	47.2	13%	0.125	24%	0.235	C	C	.	.	S	Bend	trans	-111.3	145.7	-173.9	-51.4	-93.7	0	0	0	111.3	E166 F167 D198 T200 E201 N208 S368	E166-H370 IonicContact OE2-CE1 3.77Å; E166-H370 PolarHBondContact OE2-CE1 3.42Å; E166-H370 IonicContact OE2-ND1 2.71Å; E166-H370 IonicContact OE2-NE2 3.55Å; F167-H370 CarbonylContact O-C 3.55Å; F167-H370 WeakPolarHBondContact O-CA 3.42Å; D198-H370 IonicContact OD1-ND1 3.74Å; D198-H370 IonicContact OD2-CE1 2.85Å; D198-H370 IonicContact OD2-CG 3.85Å; D198-H370 IonicContact OD2-ND1 3.52Å; D198-H370 PolarHBondContact OD2-ND1 2.54Å; T200-H370 HydrophobicContact CG2-CB 4.34Å; T200-H370 PolarHBondContact OG1-ND1 2.62Å; E201-H370 HydrophobicContact CB-CB 4.31Å; E201-H370 HydrophobicContact CG-CB 3.83Å; N208-H370 PolarHBondContact ND2-O 3.14Å; S368-H370 VanDerWaalsContact C-N 3.29Å; S368-H370 PolarHBondContact OG-N 2.86Å
371	G	96.6	Very high	91.5	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.01	23%	0.226	C	C	.	.			trans	-66.1	135	-177	0	0	0	0	0	113.4	F167 E201 L376	F167-G371 PolarHBondContact O-N 3.47Å; E201-G371 WeakPolarHBondContact CB-O 3.27Å; G371-L376 WeakPolarHBondContact O-CG 3.44Å
372	C	97.1	Very high	92.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.214	C	C	.	.			trans	-77.1	177.7	171.8	-61.6	0	0	0	0	111.8	K204 G206 H366 E374 E375 L376	K204-C372 HydrophobicContact CB-CB 4.27Å; K204-C372 HydrophobicContact CG-CB 4.34Å; K204-C372 VanDerWaalsContact CG-SG 3.58Å; K204-C372 WeakPolarHBondContact O-CB 3.2Å; G206-C372 VanDerWaalsContact O-CB 3.22Å; G206-C372 WeakPolarHBondContact O-CB 3.41Å; H366-C372 PolarHBondContact CD2-SG 2.96Å; C372-E374 VanDerWaalsContact C-N 3.3Å; C372-E374 PolarHBondContact O-N 3.44Å; C372-E375 PolarHBondContact N-OE2 2.96Å; C372-E375 WeakPolarHBondContact O-CB 2.97Å; C372-E375 PolarHBondContact O-N 3.11Å; C372-L376 WeakPolarHBondContact O-CG 3.31Å; C372-L376 PolarHBondContact O-N 2.92Å
373	M	98.1	Very high	93.3	Very high	49 Å²	49	41.2 Å²	41.2	24%	0.241	20%	0.197	C	C	.	.	H	α-helix	trans	-44.4	-45.7	-176	-76.5	179.6	177.8	0	0	115.2	A202 K204 P205 K377 L404	A202-M373 WeakPolarHBondContact O-CE 3.23Å; A202-M373 VanDerWaalsContact O-CG 3.32Å; A202-M373 WeakPolarHBondContact O-CG 3.16Å; K204-M373 WeakPolarHBondContact O-CB 3.37Å; K204-M373 WeakPolarHBondContact O-CG 3.33Å; K204-M373 PolarHBondContact O-N 3.21Å; P205-M373 HydrophobicContact CB-SD 4.15Å; M373-K377 WeakPolarHBondContact O-CB 3.11Å; M373-K377 WeakPolarHBondContact O-CE 3.38Å; M373-K377 WeakPolarHBondContact O-CG 3.34Å; M373-K377 PolarHBondContact O-N 3.29Å; M373-L404 HydrophobicContact CB-CD1 4.17Å; M373-L404 HydrophobicContact CB-CD2 4.06Å; M373-L404 HydrophobicContact CG-CD1 3.89Å; M373-L404 HydrophobicContact CG-CD2 3.88Å; M373-L404 HydrophobicContact CG-CG 4.46Å; M373-L404 HydrophobicContact SD-CD2 4.34Å
374	E	98	Very high	94.3	Very high	63 Å²	63	38.3 Å²	38.3	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-74.5	-31.7	-177.8	-60.6	-55.7	137.7	0	0	112.8	G206 Y207 C372 K377 M378	G206-E374 WeakPolarHBondContact O-CB 3.42Å; G206-E374 WeakPolarHBondContact O-CG 3.12Å; G206-E374 PolarHBondContact O-N 3.19Å; G206-E374 VanDerWaalsContact O-N 3.09Å; Y207-E374 HydrophobicContact CD1-CB 3.89Å; Y207-E374 HydrophobicContact CD2-CB 4.18Å; Y207-E374 HydrophobicContact CD2-CG 4.22Å; Y207-E374 HydrophobicContact CE1-CB 3.42Å; Y207-E374 VanDerWaalsContact CE1-CB 3.42Å; Y207-E374 HydrophobicContact CE1-CG 4.35Å; Y207-E374 HydrophobicContact CE2-CB 3.73Å; Y207-E374 HydrophobicContact CE2-CG 3.72Å; Y207-E374 HydrophobicContact CG-CB 4.24Å; C372-E374 VanDerWaalsContact C-N 3.3Å; C372-E374 PolarHBondContact O-N 3.44Å; E374-K377 VanDerWaalsContact CD-CE 3.43Å; E374-K377 VanDerWaalsContact OE1-CE 3.27Å; E374-K377 WeakPolarHBondContact OE1-CE 3.43Å; E374-K377 IonicContact OE1-NZ 3.48Å; E374-K377 PolarHBondContact OE1-NZ 2.89Å; E374-K377 WeakPolarHBondContact OE2-CE 3.47Å; E374-K377 IonicContact OE2-NZ 2.7Å; E374-K377 PolarHBondContact OE2-NZ 3.05Å; E374-K377 VanDerWaalsContact OE2-NZ 3.12Å; E374-M378 WeakPolarHBondContact O-CB 3.48Å; E374-M378 PolarHBondContact O-N 3.46Å
375	E	98	Very high	95.3	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-71	-40.5	175.9	-64.3	169.9	82.3	0	0	110.9	K168 F169 Y207 N208 C372 M378 M379	K168-E375 WeakPolarHBondContact CB-OE1 3.26Å; F169-E375 HydrophobicContact CB-CG 4.2Å; F169-E375 HydrophobicContact CD2-CB 3.97Å; F169-E375 HydrophobicContact CD2-CG 4.46Å; F169-E375 WeakPolarHBondContact CE2-O 3.42Å; F169-E375 PolarHBondContact N-OE1 3.36Å; Y207-E375 HydrophobicContact CD1-CG 3.88Å; N208-E375 WeakPolarHBondContact CB-OE2 2.98Å; N208-E375 PolarHBondContact N-OE2 3.19Å; N208-E375 PolarHBondContact ND2-OE2 3.01Å; C372-E375 PolarHBondContact N-OE2 2.96Å; C372-E375 WeakPolarHBondContact O-CB 2.97Å; C372-E375 PolarHBondContact O-N 3.11Å; E375-M378 WeakPolarHBondContact O-CB 3.38Å; E375-M378 PolarHBondContact O-N 3.1Å; E375-M379 PolarHBondContact O-N 2.76Å
376	L	98.6	Very high	96	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-63	-47.2	173.3	-63.2	-179.4	0	0	0	111.1	F167 D198 A202 G371 C372 M378 M379 I380 L404	F167-L376 HydrophobicContact CE1-CD2 4.18Å; F167-L376 HydrophobicContact CE2-CD2 4.49Å; F167-L376 HydrophobicContact CZ-CD2 3.72Å; D198-L376 WeakPolarHBondContact O-CD2 3.27Å; A202-L376 HydrophobicContact CB-CD1 3.67Å; G371-L376 WeakPolarHBondContact O-CG 3.44Å; C372-L376 WeakPolarHBondContact O-CG 3.31Å; C372-L376 PolarHBondContact O-N 2.92Å; L376-M378 VanDerWaalsContact C-N 3.28Å; L376-M378 PolarHBondContact O-N 2.86Å; L376-M379 WeakPolarHBondContact O-CB 3.33Å; L376-M379 PolarHBondContact O-N 3.09Å; L376-I380 WeakPolarHBondContact O-CG1 3.5Å; L376-I380 PolarHBondContact O-N 2.92Å; L376-L404 HydrophobicContact CB-CD1 4.23Å; L376-L404 HydrophobicContact CD1-CD1 3.94Å
377	K	98.6	Very high	96.8	Very high	40 Å²	40	31 Å²	31	17%	0.174	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-36.8	173.6	-75.7	-175.4	-64.1	-177.7	0	112.1	M373 E374 I380 N381 L404	M373-K377 WeakPolarHBondContact O-CB 3.11Å; M373-K377 WeakPolarHBondContact O-CE 3.38Å; M373-K377 WeakPolarHBondContact O-CG 3.34Å; M373-K377 PolarHBondContact O-N 3.29Å; E374-K377 VanDerWaalsContact CD-CE 3.43Å; E374-K377 VanDerWaalsContact OE1-CE 3.27Å; E374-K377 WeakPolarHBondContact OE1-CE 3.43Å; E374-K377 IonicContact OE1-NZ 3.48Å; E374-K377 PolarHBondContact OE1-NZ 2.89Å; E374-K377 WeakPolarHBondContact OE2-CE 3.47Å; E374-K377 IonicContact OE2-NZ 2.7Å; E374-K377 PolarHBondContact OE2-NZ 3.05Å; E374-K377 VanDerWaalsContact OE2-NZ 3.12Å; K377-I380 PolarHBondContact O-N 3.25Å; K377-N381 WeakPolarHBondContact O-CB 3.24Å; K377-N381 PolarHBondContact O-N 2.87Å; K377-N381 PolarHBondContact O-ND2 3.16Å; K377-L404 HydrophobicContact CD-CD2 4.18Å; K377-L404 HydrophobicContact CG-CB 4.14Å; K377-L404 HydrophobicContact CG-CD2 4.29Å
378	M	98.1	Very high	97.4	Very high	63 Å²	63	30.4 Å²	30.4	31%	0.31	15%	0.148	S	C	.	.	H	α-helix	trans	-61.3	-46.7	174.8	179.4	173.5	176	0	0	111.2	F169 I181 E374 E375 L376 I380 N381 I382	F169-M378 HydrophobicContact CD1-CE 4.34Å; F169-M378 HydrophobicContact CD1-SD 4.4Å; F169-M378 HydrophobicContact CD2-CB 4.42Å; F169-M378 HydrophobicContact CD2-CG 4.38Å; F169-M378 HydrophobicContact CD2-SD 4.09Å; F169-M378 HydrophobicContact CE1-CE 4.27Å; F169-M378 HydrophobicContact CE2-CB 4.19Å; F169-M378 HydrophobicContact CE2-CG 4.05Å; F169-M378 HydrophobicContact CE2-SD 4.26Å; F169-M378 HydrophobicContact CG-SD 4.17Å; F169-M378 HydrophobicContact CZ-CG 4.34Å; F169-M378 HydrophobicContact CZ-SD 4.5Å; I181-M378 HydrophobicContact CD1-CE 4.27Å; E374-M378 WeakPolarHBondContact O-CB 3.48Å; E374-M378 PolarHBondContact O-N 3.46Å; E375-M378 WeakPolarHBondContact O-CB 3.38Å; E375-M378 PolarHBondContact O-N 3.1Å; L376-M378 VanDerWaalsContact C-N 3.28Å; L376-M378 PolarHBondContact O-N 2.86Å; M378-I380 VanDerWaalsContact C-N 3.34Å; M378-I380 PolarHBondContact O-N 2.92Å; M378-N381 PolarHBondContact O-N 3.34Å; M378-I382 HydrophobicContact CE-CD1 3.84Å; M378-I382 HydrophobicContact CG-CD1 3.77Å; M378-I382 HydrophobicContact CG-CG1 4.48Å; M378-I382 VanDerWaalsContact O-CG1 3.26Å; M378-I382 WeakPolarHBondContact O-CG1 3.27Å; M378-I382 PolarHBondContact O-N 2.84Å
379	M	98.5	Very high	97.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.4	-47.4	175.3	-177.1	61	75.7	0	0	111.5	T164 F167 F169 M184 L195 E375 L376 N381 I382 M383	T164-M379 HydrophobicContact CG2-CE 4.42Å; T164-M379 HydrophobicContact CG2-CG 4.04Å; T164-M379 HydrophobicContact CG2-SD 4.31Å; F167-M379 HydrophobicContact CD1-CE 4.35Å; F167-M379 HydrophobicContact CD2-CE 3.63Å; F167-M379 HydrophobicContact CE1-CE 4.26Å; F167-M379 HydrophobicContact CE1-CG 4.35Å; F167-M379 HydrophobicContact CE2-CB 3.79Å; F167-M379 HydrophobicContact CE2-CE 3.54Å; F167-M379 HydrophobicContact CE2-CG 4.16Å; F167-M379 HydrophobicContact CG-CE 4.05Å; F167-M379 HydrophobicContact CZ-CB 3.6Å; F167-M379 HydrophobicContact CZ-CE 3.87Å; F167-M379 HydrophobicContact CZ-CG 3.74Å; F169-M379 HydrophobicContact CE2-CB 4.15Å; F169-M379 HydrophobicContact CE2-CE 4.18Å; F169-M379 HydrophobicContact CZ-CE 3.84Å; M184-M379 HydrophobicContact CE-CE 4.2Å; M184-M379 HydrophobicContact SD-CE 4.01Å; M184-M379 HydrophobicContact SD-SD 4.31Å; L195-M379 HydrophobicContact CD2-CG 4.49Å; E375-M379 PolarHBondContact O-N 2.76Å; L376-M379 WeakPolarHBondContact O-CB 3.33Å; L376-M379 PolarHBondContact O-N 3.09Å; M379-N381 PolarHBondContact O-N 3.42Å; M379-I382 PolarHBondContact O-N 2.89Å; M379-M383 HydrophobicContact CG-CG 4.37Å; M379-M383 WeakPolarHBondContact O-CB 3.42Å; M379-M383 VanDerWaalsContact O-CG 3.29Å; M379-M383 WeakPolarHBondContact O-CG 3.1Å; M379-M383 PolarHBondContact O-N 3.41Å; M379-M383 HydrophobicContact SD-CE 3.58Å; M379-M383 VanDerWaalsContact SD-CE 3.58Å; M379-M383 HydrophobicContact SD-CG 3.85Å
380	I	98.7	Very high	98.1	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.015	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-43.2	-179.7	-62.7	165.1	0	0	0	111.2	L195 L376 K377 M378 I382 M383 K384 P385 F388 A405 A408 V410	L195-I380 HydrophobicContact CD2-CG1 4.22Å; L376-I380 WeakPolarHBondContact O-CG1 3.5Å; L376-I380 PolarHBondContact O-N 2.92Å; K377-I380 PolarHBondContact O-N 3.25Å; M378-I380 VanDerWaalsContact C-N 3.34Å; M378-I380 PolarHBondContact O-N 2.92Å; I380-I382 PolarHBondContact O-N 3.14Å; I380-M383 PolarHBondContact O-N 3.37Å; I380-K384 PolarHBondContact O-N 3.1Å; I380-P385 HydrophobicContact CG2-CG 4.44Å; I380-P385 WeakPolarHBondContact O-CD 3.23Å; I380-F388 HydrophobicContact CD1-CE2 4.04Å; I380-F388 HydrophobicContact CD1-CZ 4.14Å; I380-F388 HydrophobicContact CG1-CE2 3.97Å; I380-A405 HydrophobicContact CD1-CB 3.93Å; I380-A408 HydrophobicContact CB-CB 4.17Å; I380-A408 HydrophobicContact CG2-CB 3.65Å; I380-V410 HydrophobicContact CG2-CG2 4.02Å
381	N	98.3	Very high	98.2	Very high	89 Å²	89	28 Å²	28	48%	0.476	13%	0.134	S	C	.	.	H	α-helix	trans	-67.9	-32.2	178.9	-84.5	-80.2	0	0	0	113.6	K377 M378 M379 K384	K377-N381 WeakPolarHBondContact O-CB 3.24Å; K377-N381 PolarHBondContact O-N 2.87Å; K377-N381 PolarHBondContact O-ND2 3.16Å; M378-N381 PolarHBondContact O-N 3.34Å; M379-N381 PolarHBondContact O-N 3.42Å; N381-K384 WeakPolarHBondContact O-CE 3.43Å; N381-K384 VanDerWaalsContact O-CG 3.26Å; N381-K384 WeakPolarHBondContact O-CG 3.4Å
382	I	98.2	Very high	98.2	Very high	31 Å²	31	28 Å²	28	16%	0.159	13%	0.134	C	C	.	.	H	α-helix	trans	-71.3	-47.6	174.7	-68.1	166.2	0	0	0	109.7	F169 I181 M184 A185 M378 M379 I380	F169-I382 HydrophobicContact CZ-CD1 4.29Å; I181-I382 HydrophobicContact CG2-CD1 4.37Å; M184-I382 VanDerWaalsContact C-CG2 3.5Å; M184-I382 HydrophobicContact CB-CG2 3.61Å; A185-I382 HydrophobicContact CB-CG2 4.37Å; M378-I382 HydrophobicContact CE-CD1 3.84Å; M378-I382 HydrophobicContact CG-CD1 3.77Å; M378-I382 HydrophobicContact CG-CG1 4.48Å; M378-I382 VanDerWaalsContact O-CG1 3.26Å; M378-I382 WeakPolarHBondContact O-CG1 3.27Å; M378-I382 PolarHBondContact O-N 2.84Å; M379-I382 PolarHBondContact O-N 2.89Å; I380-I382 PolarHBondContact O-N 3.14Å
383	M	98.2	Very high	98	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-76.5	-30	-173.8	-67	-63.4	-180	0	0	113.7	F140 V162 M184 I187 V192 L195 M379 I380	F140-M383 HydrophobicContact CE1-CE 4.2Å; F140-M383 HydrophobicContact CE2-CE 3.89Å; F140-M383 HydrophobicContact CZ-CE 3.67Å; V162-M383 HydrophobicContact CG1-CE 4.25Å; V162-M383 HydrophobicContact CG1-SD 4.39Å; M184-M383 HydrophobicContact CB-CE 3.82Å; M184-M383 HydrophobicContact CG-CE 3.79Å; I187-M383 HydrophobicContact CG2-SD 4.09Å; V192-M383 WeakPolarHBondContact CB-O 3.48Å; V192-M383 HydrophobicContact CG2-CB 4.21Å; V192-M383 WeakPolarHBondContact CG2-O 3.5Å; V192-M383 HydrophobicContact CG2-SD 4.23Å; L195-M383 HydrophobicContact CD1-CB 4.46Å; L195-M383 HydrophobicContact CD1-CG 4.15Å; L195-M383 HydrophobicContact CD2-CB 4.07Å; L195-M383 HydrophobicContact CD2-CG 4.31Å; M379-M383 HydrophobicContact CG-CG 4.37Å; M379-M383 WeakPolarHBondContact O-CB 3.42Å; M379-M383 VanDerWaalsContact O-CG 3.29Å; M379-M383 WeakPolarHBondContact O-CG 3.1Å; M379-M383 PolarHBondContact O-N 3.41Å; M379-M383 HydrophobicContact SD-CE 3.58Å; M379-M383 VanDerWaalsContact SD-CE 3.58Å; M379-M383 HydrophobicContact SD-CG 3.85Å; I380-M383 PolarHBondContact O-N 3.37Å
384	K	97.9	Very high	97.8	Very high	148 Å²	148	29.5 Å²	29.5	64%	0.643	14%	0.14	S	C	*	.			trans	47.3	55.5	-178.4	-57.2	176.9	-175.3	167.1	0	113.1	I380 N381	I380-K384 PolarHBondContact O-N 3.1Å; N381-K384 WeakPolarHBondContact O-CE 3.43Å; N381-K384 VanDerWaalsContact O-CG 3.26Å; N381-K384 WeakPolarHBondContact O-CG 3.4Å
385	P	98.6	Very high	97.7	Very high	11 Å²	11	32.2 Å²	32.2	7%	0.071	15%	0.151	C	C	.	.			trans	-69.9	145.7	-173.3	31.2	-36.5	0	0	0	112.8	V192 L195 I380 Y387 F388 V410	V192-P385 HydrophobicContact CB-CB 4.44Å; V192-P385 HydrophobicContact CG1-CB 3.88Å; V192-P385 WeakPolarHBondContact O-CA 3.43Å; L195-P385 HydrophobicContact CB-CB 3.54Å; L195-P385 HydrophobicContact CB-CG 3.82Å; L195-P385 HydrophobicContact CD2-CG 4Å; I380-P385 HydrophobicContact CG2-CG 4.44Å; I380-P385 WeakPolarHBondContact O-CD 3.23Å; P385-Y387 WeakPolarHBondContact CB-O 3.3Å; P385-F388 HydrophobicContact CG-CD2 4.43Å; P385-V410 HydrophobicContact CG-CG2 4.02Å
386	E	98.2	Very high	97.6	Very high	78 Å²	78	36.8 Å²	36.8	36%	0.364	17%	0.171	S	C	.	.	S	Bend	trans	-71.3	-46.3	169	-176.4	174.7	180	0	0	111.6	V192 K414	V192-E386 PolarHBondContact O-N 3.4Å; E386-K414 HydrophobicContact CG-CD 3.97Å; E386-K414 VanDerWaalsContact CG-NZ 3.29Å; E386-K414 WeakPolarHBondContact O-CB 3.17Å; E386-K414 WeakPolarHBondContact O-CD 3.25Å; E386-K414 IonicContact OE1-NZ 2.76Å; E386-K414 PolarHBondContact OE1-NZ 2.95Å
387	Y	98.8	Very high	97.5	Very high	5 Å²	5	37.7 Å²	37.7	2%	0.02	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.6	175.9	-64.5	-82.2	0	0	0	111.5	F193 V194 L195 P385 K414 F416 D430 M431	F193-Y387 HydrophobicContact CD2-CD2 4.18Å; F193-Y387 HydrophobicContact CD2-CE2 4.35Å; F193-Y387 AromaticContact CE2-CD2 3.79Å; F193-Y387 HydrophobicContact CE2-CD2 3.79Å; F193-Y387 AromaticContact CE2-CE2 3.58Å; F193-Y387 HydrophobicContact CE2-CE2 3.58Å; F193-Y387 HydrophobicContact CZ-CD2 4.14Å; F193-Y387 AromaticContact CZ-CE2 3.94Å; F193-Y387 HydrophobicContact CZ-CE2 3.94Å; F193-Y387 PolarHBondContact O-N 2.81Å; V194-Y387 CarbonylContact C-O 3.59Å; V194-Y387 WeakPolarHBondContact CA-O 3.28Å; L195-Y387 PolarHBondContact N-O 2.9Å; P385-Y387 WeakPolarHBondContact CB-O 3.3Å; Y387-K414 WeakPolarHBondContact CA-O 3.44Å; Y387-K414 HydrophobicContact CD1-CB 3.54Å; Y387-K414 HydrophobicContact CD1-CD 4.08Å; Y387-K414 HydrophobicContact CD1-CG 3.87Å; Y387-K414 HydrophobicContact CE1-CB 3.89Å; Y387-K414 HydrophobicContact CE1-CD 3.84Å; Y387-K414 HydrophobicContact CE1-CG 3.66Å; Y387-K414 HydrophobicContact CG-CB 4.38Å; Y387-F416 HydrophobicContact CD1-CD2 4.42Å; Y387-F416 AromaticContact CD1-CE2 3.5Å; Y387-F416 HydrophobicContact CD1-CE2 3.5Å; Y387-F416 VanDerWaalsContact CD1-CE2 3.5Å; Y387-F416 HydrophobicContact CD1-CZ 4.22Å; Y387-F416 HydrophobicContact CE1-CE2 4.06Å; Y387-F416 HydrophobicContact CE1-CZ 4.35Å; Y387-F416 HydrophobicContact CG-CE2 4.25Å; Y387-D430 WeakPolarHBondContact OH-CA 3.37Å; Y387-M431 HydrophobicContact CD1-CB 4.04Å; Y387-M431 HydrophobicContact CD1-CG 4.13Å; Y387-M431 HydrophobicContact CD2-CB 4.46Å; Y387-M431 HydrophobicContact CD2-CG 3.69Å; Y387-M431 HydrophobicContact CE1-CB 3.78Å; Y387-M431 HydrophobicContact CE1-CG 4.05Å; Y387-M431 HydrophobicContact CE2-CB 4.24Å; Y387-M431 HydrophobicContact CE2-CG 3.62Å; Y387-M431 HydrophobicContact CG-CB 4.36Å; Y387-M431 HydrophobicContact CG-CG 3.95Å; Y387-M431 PolarHBondContact OH-N 2.95Å
388	F	98.9	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.6	-177	-174.4	-101.3	0	0	0	111.9	L195 I380 P385 P390 H401 A405 V410 K414 I415 F416	L195-F388 HydrophobicContact CB-CD2 4.09Å; L195-F388 HydrophobicContact CD2-CD2 4.02Å; L195-F388 HydrophobicContact CD2-CE2 3.88Å; L195-F388 HydrophobicContact CG-CD2 4.19Å; L195-F388 HydrophobicContact CG-CE2 4.16Å; I380-F388 HydrophobicContact CD1-CE2 4.04Å; I380-F388 HydrophobicContact CD1-CZ 4.14Å; I380-F388 HydrophobicContact CG1-CE2 3.97Å; P385-F388 HydrophobicContact CG-CD2 4.43Å; F388-P390 HydrophobicContact CE1-CB 3.9Å; F388-P390 HydrophobicContact CE1-CG 4.25Å; F388-H401 AromaticContact CZ-CD2 3.66Å; F388-H401 AromaticContact CZ-CE1 3.65Å; F388-H401 AromaticContact CZ-CG 3.91Å; F388-H401 AromaticContact CZ-ND1 3.88Å; F388-H401 AromaticContact CZ-NE2 3.49Å; F388-H401 WeakPolarHBondContact CZ-NE2 3.38Å; F388-A405 HydrophobicContact CB-CB 4.43Å; F388-A405 HydrophobicContact CD1-CB 3.46Å; F388-A405 VanDerWaalsContact CD1-CB 3.46Å; F388-A405 HydrophobicContact CD2-CB 4.32Å; F388-A405 HydrophobicContact CE1-CB 3.7Å; F388-A405 HydrophobicContact CG-CB 3.82Å; F388-A405 HydrophobicContact CZ-CB 4.23Å; F388-V410 HydrophobicContact CB-CG1 3.98Å; F388-V410 HydrophobicContact CB-CG2 4.48Å; F388-K414 PolarHBondContact N-O 2.92Å; F388-I415 HydrophobicContact CB-CG1 4.3Å; F388-I415 HydrophobicContact CD1-CG2 4.09Å; F388-I415 WeakPolarHBondContact O-CA 3.5Å; F388-F416 PolarHBondContact O-N 2.99Å
389	I	98.8	Very high	97.5	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	103.3	179.4	-51.5	172.6	0	0	0	108.3	I13 V194 L195 I196 S197 V391 F416 V418 I424	I13-I389 HydrophobicContact CB-CD1 4.43Å; I13-I389 HydrophobicContact CD1-CD1 3.81Å; I13-I389 HydrophobicContact CG2-CD1 3.99Å; V194-I389 HydrophobicContact CG1-CD1 3.5Å; V194-I389 HydrophobicContact CG1-CG1 3.88Å; L195-I389 PolarHBondContact O-N 3.31Å; I196-I389 WeakPolarHBondContact CA-O 3.48Å; I196-I389 HydrophobicContact CG1-CB 4.41Å; I196-I389 HydrophobicContact CG1-CD1 4.17Å; S197-I389 PolarHBondContact N-O 2.65Å; I389-V391 HydrophobicContact CG2-CG1 3.93Å; I389-V391 PolarHBondContact O-N 3.03Å; I389-F416 HydrophobicContact CG1-CB 4.34Å; I389-V418 HydrophobicContact CG2-CG2 3.99Å; I389-I424 HydrophobicContact CD1-CD1 3.36Å; I389-I424 HydrophobicContact CG1-CD1 3.9Å; I389-I424 HydrophobicContact CG2-CD1 4.49Å
390	P	98.6	Very high	97.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124.4	172.8	29.5	-33.2	0	0	0	111	S199 F388 Q398 H401 F416 L417	S199-P390 WeakPolarHBondContact OG-CB 3.44Å; F388-P390 HydrophobicContact CE1-CB 3.9Å; F388-P390 HydrophobicContact CE1-CG 4.25Å; P390-Q398 HydrophobicContact CB-CB 4.16Å; P390-Q398 HydrophobicContact CB-CG 4.43Å; P390-Q398 HydrophobicContact CG-CB 4.1Å; P390-Q398 PolarHBondContact O-NE2 3.14Å; P390-H401 HydrophobicContact CB-CB 3.96Å; P390-F416 WeakPolarHBondContact CD-O 3.28Å; P390-L417 HydrophobicContact CG-CD2 3.73Å
391	V	98.4	Very high	97.5	Very high	1 Å²	1	36 Å²	36	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	179.5	178.1	-56	0	0	0	0	110.6	V19 Y27 Y163 I196 S197 D198 S199 I389	V19-V391 HydrophobicContact CG1-CB 4.18Å; V19-V391 HydrophobicContact CG1-CG1 3.88Å; Y27-V391 HydrophobicContact CD1-CG1 4.26Å; Y27-V391 HydrophobicContact CE1-CB 3.68Å; Y27-V391 HydrophobicContact CE1-CG1 3.69Å; Y27-V391 HydrophobicContact CE1-CG2 4.13Å; Y27-V391 HydrophobicContact CE2-CG2 4.29Å; Y27-V391 WeakPolarHBondContact OH-CB 3.23Å; Y163-V391 HydrophobicContact CE2-CG2 4.22Å; I196-V391 HydrophobicContact CG2-CB 4.26Å; I196-V391 HydrophobicContact CG2-CG1 3.6Å; I196-V391 HydrophobicContact CG2-CG2 3.59Å; S197-V391 PolarHBondContact O-N 2.79Å; S197-V391 VanDerWaalsContact O-O 3.14Å; D198-V391 CarbonylContact C-O 3.58Å; S199-V391 WeakPolarHBondContact CB-O 3.33Å; S199-V391 PolarHBondContact N-O 2.83Å; S199-V391 PolarHBondContact OG-N 2.86Å; S199-V391 PolarHBondContact OG-O 3.46Å; I389-V391 HydrophobicContact CG2-CG1 3.93Å; I389-V391 PolarHBondContact O-N 3.03Å
392	Q	94.7	Very high	97.5	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.009	15%	0.153	C	C	.	.	S	Bend	trans	51.1	75.3	179.9	-175.9	64.5	-39.9	0	0	111.2	G18 N25 E166 S199 T200	G18-Q392 WeakPolarHBondContact O-CA 3.3Å; G18-Q392 PolarHBondContact O-N 2.89Å; N25-Q392 PolarHBondContact ND2-NE2 3.41Å; N25-Q392 PolarHBondContact OD1-NE2 2.88Å; N25-Q392 PolarHBondContact OD1-OE1 3.19Å; E166-Q392 HydrophobicContact CG-CG 4.25Å; E166-Q392 PolarHBondContact OE1-NE2 2.85Å; S199-Q392 CarbonylContact C-O 3.58Å; S199-Q392 PolarHBondContact N-O 2.83Å; T200-Q392 PolarHBondContact N-O 3.14Å; T200-Q392 VanDerWaalsContact N-O 3.08Å; T200-Q392 PolarHBondContact OG1-O 3.31Å
393	G	93.8	Very high	97.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	165.3	151	-175.3	0	0	0	0	0	113.1	G20 E21	G20-G393 CarbonylContact C-O 3.57Å; G20-G393 PolarHBondContact N-O 2.91Å; E21-G393 PolarHBondContact N-O 3.34Å; E21-G393 VanDerWaalsContact N-O 3.16Å; E21-G393 CarbonylContact O-C 3.55Å; E21-G393 VanDerWaalsContact O-C 3.27Å; E21-G393 WeakPolarHBondContact O-CA 3.43Å; E21-G393 PolarHBondContact O-N 3.28Å
394	E	94.1	Very high	97.6	Very high	80 Å²	80	37.4 Å²	37.4	37%	0.374	18%	0.175	S	C	.	.			trans	-59.8	160.3	169.7	-63.7	178.7	177.7	0	0	111	I22 K396 M397 Q398	I22-E394 HydrophobicContact CG1-CG 4.42Å; E394-K396 HydrophobicContact CB-CG 4.35Å; E394-K396 PolarHBondContact O-N 3.17Å; E394-K396 VanDerWaalsContact O-N 3.11Å; E394-K396 WeakPolarHBondContact OE2-CE 3.31Å; E394-K396 IonicContact OE2-NZ 3.34Å; E394-K396 PolarHBondContact OE2-NZ 3.44Å; E394-M397 HydrophobicContact CB-CE 4.38Å; E394-M397 HydrophobicContact CB-CG 4.24Å; E394-M397 HydrophobicContact CB-SD 4.07Å; E394-M397 HydrophobicContact CG-CE 4.22Å; E394-M397 HydrophobicContact CG-SD 4.3Å; E394-M397 PolarHBondContact N-SD 2.65Å; E394-M397 VanDerWaalsContact N-SD 3.45Å; E394-M397 WeakPolarHBondContact O-CA 3.2Å; E394-M397 VanDerWaalsContact O-CB 3.29Å; E394-M397 WeakPolarHBondContact O-CB 3.31Å; E394-M397 PolarHBondContact O-N 2.79Å; E394-Q398 PolarHBondContact O-N 2.89Å
395	F	95.7	Very high	97.6	Very high	119 Å²	119	30.4 Å²	30.4	52%	0.522	14%	0.144	S	C	.	.	H	α-helix	trans	-54.4	-38.3	-176.4	-172.4	-113.5	0	0	0	113.8	M397 Q398 I399	F395-M397 VanDerWaalsContact C-N 3.31Å; F395-M397 PolarHBondContact O-N 2.93Å; F395-Q398 PolarHBondContact O-N 2.71Å; F395-I399 HydrophobicContact CD1-CD1 3.75Å; F395-I399 HydrophobicContact CE1-CD1 3.33Å; F395-I399 HydrophobicContact CE1-CG1 4.24Å; F395-I399 HydrophobicContact CZ-CD1 3.76Å; F395-I399 HydrophobicContact CZ-CG1 4.29Å; F395-I399 WeakPolarHBondContact O-CG1 3.22Å; F395-I399 PolarHBondContact O-N 3.24Å
396	K	96	Very high	97.6	Very high	98 Å²	98	31.7 Å²	31.7	43%	0.426	16%	0.156	S	C	.	.	H	α-helix	trans	-62.9	-37	175.3	68.8	-178.5	-177	-162	0	112.6	E203 E394 I399 A400	E203-K396 WeakPolarHBondContact OE2-CD 3.39Å; E203-K396 WeakPolarHBondContact OE2-CE 3.46Å; E394-K396 HydrophobicContact CB-CG 4.35Å; E394-K396 PolarHBondContact O-N 3.17Å; E394-K396 VanDerWaalsContact O-N 3.11Å; E394-K396 WeakPolarHBondContact OE2-CE 3.31Å; E394-K396 IonicContact OE2-NZ 3.34Å; E394-K396 PolarHBondContact OE2-NZ 3.44Å; K396-I399 PolarHBondContact O-N 3.21Å; K396-A400 WeakPolarHBondContact O-CB 3.34Å; K396-A400 PolarHBondContact O-N 2.91Å
397	M	97.2	Very high	97.6	Very high	20 Å²	20	34.6 Å²	34.6	10%	0.099	17%	0.169	C	C	.	.	H	α-helix	trans	-71.1	-41.9	179.6	-58.4	172.3	178.3	0	0	109.8	I22 S199 A202 E394 F395 I399 A400 H401	I22-M397 HydrophobicContact CD1-CE 3.96Å; I22-M397 HydrophobicContact CD1-SD 4.13Å; I22-M397 HydrophobicContact CG1-SD 4.39Å; S199-M397 WeakPolarHBondContact O-CB 3.4Å; A202-M397 WeakPolarHBondContact CB-O 3.37Å; E394-M397 HydrophobicContact CB-CE 4.38Å; E394-M397 HydrophobicContact CB-CG 4.24Å; E394-M397 HydrophobicContact CB-SD 4.07Å; E394-M397 HydrophobicContact CG-CE 4.22Å; E394-M397 HydrophobicContact CG-SD 4.3Å; E394-M397 PolarHBondContact N-SD 2.65Å; E394-M397 VanDerWaalsContact N-SD 3.45Å; E394-M397 WeakPolarHBondContact O-CA 3.2Å; E394-M397 VanDerWaalsContact O-CB 3.29Å; E394-M397 WeakPolarHBondContact O-CB 3.31Å; E394-M397 PolarHBondContact O-N 2.79Å; F395-M397 VanDerWaalsContact C-N 3.31Å; F395-M397 PolarHBondContact O-N 2.93Å; M397-I399 VanDerWaalsContact C-N 3.34Å; M397-I399 PolarHBondContact O-N 3.34Å; M397-A400 WeakPolarHBondContact O-CB 3.48Å; M397-A400 PolarHBondContact O-N 2.67Å; M397-H401 WeakPolarHBondContact O-CB 3.22Å; M397-H401 PolarHBondContact O-N 3.04Å
398	Q	98.3	Very high	97.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-41.4	174.2	-64.3	176.4	-56.3	0	0	111.7	P390 E394 F395 H401 A402 L417	P390-Q398 HydrophobicContact CB-CB 4.16Å; P390-Q398 HydrophobicContact CB-CG 4.43Å; P390-Q398 HydrophobicContact CG-CB 4.1Å; P390-Q398 PolarHBondContact O-NE2 3.14Å; E394-Q398 PolarHBondContact O-N 2.89Å; F395-Q398 PolarHBondContact O-N 2.71Å; Q398-H401 PolarHBondContact O-N 3.34Å; Q398-A402 WeakPolarHBondContact O-CB 3.45Å; Q398-A402 PolarHBondContact O-N 2.81Å; Q398-L417 HydrophobicContact CB-CD2 3.89Å
399	I	98.2	Very high	97.5	Very high	53 Å²	53	38.7 Å²	38.7	27%	0.272	21%	0.21	S	C	.	.	H	α-helix	trans	-62.6	-44.9	172.9	-74.1	174.4	0	0	0	111.2	F395 K396 M397 H401 A402 K403 L417	F395-I399 HydrophobicContact CD1-CD1 3.75Å; F395-I399 HydrophobicContact CE1-CD1 3.33Å; F395-I399 HydrophobicContact CE1-CG1 4.24Å; F395-I399 HydrophobicContact CZ-CD1 3.76Å; F395-I399 HydrophobicContact CZ-CG1 4.29Å; F395-I399 WeakPolarHBondContact O-CG1 3.22Å; F395-I399 PolarHBondContact O-N 3.24Å; K396-I399 PolarHBondContact O-N 3.21Å; M397-I399 VanDerWaalsContact C-N 3.34Å; M397-I399 PolarHBondContact O-N 3.34Å; I399-H401 VanDerWaalsContact C-N 3.29Å; I399-H401 PolarHBondContact O-N 3.37Å; I399-A402 PolarHBondContact O-N 3.49Å; I399-K403 HydrophobicContact CG2-CD 4.45Å; I399-K403 WeakPolarHBondContact O-CG 3.39Å; I399-K403 PolarHBondContact O-N 3.35Å; I399-L417 HydrophobicContact CG1-CD1 3.97Å; I399-L417 HydrophobicContact CG1-CD2 4.48Å
400	A	98.4	Very high	97.5	Very high	15 Å²	15	39 Å²	39	12%	0.124	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-44.5	177.4	0	0	0	0	0	110.6	A202 E203 K396 M397 K403 L404	A202-A400 HydrophobicContact CB-CB 4Å; E203-A400 HydrophobicContact CG-CB 3.76Å; K396-A400 WeakPolarHBondContact O-CB 3.34Å; K396-A400 PolarHBondContact O-N 2.91Å; M397-A400 WeakPolarHBondContact O-CB 3.48Å; M397-A400 PolarHBondContact O-N 2.67Å; A400-K403 WeakPolarHBondContact O-CB 3.49Å; A400-K403 PolarHBondContact O-N 3.14Å; A400-L404 WeakPolarHBondContact O-CG 3.3Å; A400-L404 PolarHBondContact O-N 3.07Å
401	H	98.7	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.5	-38.5	178.7	-157.2	174.5	0	0	0	112.8	S197 D198 S199 A202 F388 P390 M397 Q398 I399 K403 L404 A405	S197-H401 PolarHBondContact OG-CE1 3.42Å; D198-H401 PolarHBondContact O-CE1 3Å; D198-H401 PolarHBondContact O-ND1 3.14Å; D198-H401 VanDerWaalsContact O-ND1 3.16Å; S199-H401 WeakPolarHBondContact CA-ND1 3.22Å; S199-H401 PolarHBondContact OG-ND1 3.33Å; A202-H401 HydrophobicContact CB-CB 3.65Å; F388-H401 AromaticContact CZ-CD2 3.66Å; F388-H401 AromaticContact CZ-CE1 3.65Å; F388-H401 AromaticContact CZ-CG 3.91Å; F388-H401 AromaticContact CZ-ND1 3.88Å; F388-H401 AromaticContact CZ-NE2 3.49Å; F388-H401 WeakPolarHBondContact CZ-NE2 3.38Å; P390-H401 HydrophobicContact CB-CB 3.96Å; M397-H401 WeakPolarHBondContact O-CB 3.22Å; M397-H401 PolarHBondContact O-N 3.04Å; Q398-H401 PolarHBondContact O-N 3.34Å; I399-H401 VanDerWaalsContact C-N 3.29Å; I399-H401 PolarHBondContact O-N 3.37Å; H401-K403 VanDerWaalsContact C-N 3.27Å; H401-K403 PolarHBondContact O-N 3.05Å; H401-L404 WeakPolarHBondContact O-CB 3.15Å; H401-L404 PolarHBondContact O-N 3.38Å; H401-L404 VanDerWaalsContact O-N 3.16Å; H401-A405 PolarHBondContact O-N 3.17Å
402	A	98.7	Very high	97.4	Very high	13 Å²	13	44.9 Å²	44.9	11%	0.107	25%	0.254	C	S	.	.	H	α-helix	trans	-58.3	-39.6	172.1	0	0	0	0	0	112	Q398 I399 A405 A406 I415 L417	Q398-A402 WeakPolarHBondContact O-CB 3.45Å; Q398-A402 PolarHBondContact O-N 2.81Å; I399-A402 PolarHBondContact O-N 3.49Å; A402-A405 PolarHBondContact O-N 2.77Å; A402-A406 PolarHBondContact O-N 2.96Å; A402-I415 HydrophobicContact CB-CG2 3.68Å; A402-I415 WeakPolarHBondContact O-CD1 3.27Å; A402-L417 HydrophobicContact CB-CD2 4.14Å
403	K	98.6	Very high	97.5	Very high	132 Å²	132	51.9 Å²	51.9	57%	0.574	29%	0.286	S	S	*	.	H	α-helix	trans	-64.7	-44.2	174.1	-68	171.1	-176.8	174.5	0	111.7	I399 A400 H401 A405 A406 E407	I399-K403 HydrophobicContact CG2-CD 4.45Å; I399-K403 WeakPolarHBondContact O-CG 3.39Å; I399-K403 PolarHBondContact O-N 3.35Å; A400-K403 WeakPolarHBondContact O-CB 3.49Å; A400-K403 PolarHBondContact O-N 3.14Å; H401-K403 VanDerWaalsContact C-N 3.27Å; H401-K403 PolarHBondContact O-N 3.05Å; K403-A405 VanDerWaalsContact C-N 3.29Å; K403-A405 PolarHBondContact O-N 3.19Å; K403-A406 PolarHBondContact O-N 3.07Å; K403-E407 WeakPolarHBondContact O-CG 3.21Å; K403-E407 PolarHBondContact O-N 3.26Å
404	L	98.7	Very high	97.8	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-39.1	175.8	-62.3	173.8	0	0	0	112	A202 M373 L376 K377 A400 H401 E407 A408	A202-L404 HydrophobicContact CB-CD1 4.27Å; M373-L404 HydrophobicContact CB-CD1 4.17Å; M373-L404 HydrophobicContact CB-CD2 4.06Å; M373-L404 HydrophobicContact CG-CD1 3.89Å; M373-L404 HydrophobicContact CG-CD2 3.88Å; M373-L404 HydrophobicContact CG-CG 4.46Å; M373-L404 HydrophobicContact SD-CD2 4.34Å; L376-L404 HydrophobicContact CB-CD1 4.23Å; L376-L404 HydrophobicContact CD1-CD1 3.94Å; K377-L404 HydrophobicContact CD-CD2 4.18Å; K377-L404 HydrophobicContact CG-CB 4.14Å; K377-L404 HydrophobicContact CG-CD2 4.29Å; A400-L404 WeakPolarHBondContact O-CG 3.3Å; A400-L404 PolarHBondContact O-N 3.07Å; H401-L404 WeakPolarHBondContact O-CB 3.15Å; H401-L404 PolarHBondContact O-N 3.38Å; H401-L404 VanDerWaalsContact O-N 3.16Å; L404-E407 PolarHBondContact O-N 3.35Å; L404-A408 VanDerWaalsContact O-CB 3.28Å; L404-A408 WeakPolarHBondContact O-CB 3.24Å; L404-A408 PolarHBondContact O-N 3.42Å
405	A	98.8	Very high	98	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-42.3	175.5	0	0	0	0	0	112.3	I380 F388 H401 A402 K403 A408 G409 V410 I415	I380-A405 HydrophobicContact CD1-CB 3.93Å; F388-A405 HydrophobicContact CB-CB 4.43Å; F388-A405 HydrophobicContact CD1-CB 3.46Å; F388-A405 VanDerWaalsContact CD1-CB 3.46Å; F388-A405 HydrophobicContact CD2-CB 4.32Å; F388-A405 HydrophobicContact CE1-CB 3.7Å; F388-A405 HydrophobicContact CG-CB 3.82Å; F388-A405 HydrophobicContact CZ-CB 4.23Å; H401-A405 PolarHBondContact O-N 3.17Å; A402-A405 PolarHBondContact O-N 2.77Å; K403-A405 VanDerWaalsContact C-N 3.29Å; K403-A405 PolarHBondContact O-N 3.19Å; A405-A408 CarbonylContact O-C 3.57Å; A405-A408 PolarHBondContact O-N 3.3Å; A405-G409 PolarHBondContact O-N 3.11Å; A405-G409 VanDerWaalsContact O-N 3.15Å; A405-V410 HydrophobicContact CB-CB 4.28Å; A405-V410 HydrophobicContact CB-CG2 4.19Å; A405-V410 WeakPolarHBondContact O-CB 3.41Å; A405-V410 PolarHBondContact O-N 2.81Å; A405-I415 HydrophobicContact CB-CD1 3.98Å
406	A	98.6	Very high	98.1	Very high	38 Å²	38	47.2 Å²	47.2	31%	0.314	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-43.4	173.9	0	0	0	0	0	112.3	A402 K403 A408 G409 V410 P412 I415	A402-A406 PolarHBondContact O-N 2.96Å; K403-A406 PolarHBondContact O-N 3.07Å; A406-A408 VanDerWaalsContact C-N 3.29Å; A406-A408 PolarHBondContact O-N 2.8Å; A406-G409 PolarHBondContact O-N 2.89Å; A406-G409 VanDerWaalsContact O-N 3.1Å; A406-V410 WeakPolarHBondContact CA-O 3.48Å; A406-P412 HydrophobicContact CB-CG 4.44Å; A406-I415 HydrophobicContact CB-CD1 4.03Å
407	E	97.8	Very high	98.2	Very high	139 Å²	139	45.8 Å²	45.8	65%	0.65	26%	0.262	S	S	*	.	H	α-helix	trans	-62.1	-35.4	174.5	-72.9	174.6	-166.8	0	0	112.6	K403 L404 G409	K403-E407 WeakPolarHBondContact O-CG 3.21Å; K403-E407 PolarHBondContact O-N 3.26Å; L404-E407 PolarHBondContact O-N 3.35Å; E407-G409 PolarHBondContact O-N 3.26Å
408	A	97.8	Very high	98.2	Very high	25 Å²	25	45.1 Å²	45.1	21%	0.207	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-1.5	176.1	0	0	0	0	0	113.8	I380 L404 A405 A406	I380-A408 HydrophobicContact CB-CB 4.17Å; I380-A408 HydrophobicContact CG2-CB 3.65Å; L404-A408 VanDerWaalsContact O-CB 3.28Å; L404-A408 WeakPolarHBondContact O-CB 3.24Å; L404-A408 PolarHBondContact O-N 3.42Å; A405-A408 CarbonylContact O-C 3.57Å; A405-A408 PolarHBondContact O-N 3.3Å; A406-A408 VanDerWaalsContact C-N 3.29Å; A406-A408 PolarHBondContact O-N 2.8Å
409	G	97.3	Very high	98.1	Very high	66 Å²	66	50.8 Å²	50.8	68%	0.68	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.3	5.2	170.7	0	0	0	0	0	116.3	A405 A406 E407	A405-G409 PolarHBondContact O-N 3.11Å; A405-G409 VanDerWaalsContact O-N 3.15Å; A406-G409 PolarHBondContact O-N 2.89Å; A406-G409 VanDerWaalsContact O-N 3.1Å; E407-G409 PolarHBondContact O-N 3.26Å
410	V	98.6	Very high	98.1	Very high	10 Å²	10	51.2 Å²	51.2	6%	0.061	29%	0.285	C	S	.	.			trans	-73.4	128.8	170.5	-174.1	0	0	0	0	109	I380 P385 F388 A405 A406 K414 I415	I380-V410 HydrophobicContact CG2-CG2 4.02Å; P385-V410 HydrophobicContact CG-CG2 4.02Å; F388-V410 HydrophobicContact CB-CG1 3.98Å; F388-V410 HydrophobicContact CB-CG2 4.48Å; A405-V410 HydrophobicContact CB-CB 4.28Å; A405-V410 HydrophobicContact CB-CG2 4.19Å; A405-V410 WeakPolarHBondContact O-CB 3.41Å; A405-V410 PolarHBondContact O-N 2.81Å; A406-V410 WeakPolarHBondContact CA-O 3.48Å; V410-K414 HydrophobicContact CG1-CB 4.46Å; V410-I415 HydrophobicContact CB-CD1 4.33Å; V410-I415 HydrophobicContact CB-CG1 4.32Å; V410-I415 HydrophobicContact CG1-CD1 4.29Å; V410-I415 HydrophobicContact CG1-CG1 3.74Å
411	A	98.3	Very high	98	Very high	32 Å²	32	50.5 Å²	50.5	26%	0.264	28%	0.28	S	S	.	.			trans	-62.5	132.1	179.8	0	0	0	0	0	110.7	E413 K414	A411-E413 HydrophobicContact CB-CG 4.46Å; A411-E413 PolarHBondContact O-N 3.5Å; A411-E413 VanDerWaalsContact O-N 3.14Å; A411-K414 HydrophobicContact CB-CB 4.48Å; A411-K414 HydrophobicContact CB-CG 4.25Å; A411-K414 WeakPolarHBondContact O-CA 3.38Å; A411-K414 WeakPolarHBondContact O-CB 3.08Å; A411-K414 PolarHBondContact O-N 2.89Å
412	P	97.9	Very high	98	Very high	94 Å²	94	51.1 Å²	51.1	61%	0.61	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-54.1	-35.5	-176.1	-29	36	0	0	0	114.6	A406 K414 I415	A406-P412 HydrophobicContact CB-CG 4.44Å; P412-K414 PolarHBondContact O-N 3.3Å; P412-I415 PolarHBondContact O-N 3.18Å
413	E	97.1	Very high	98	Very high	148 Å²	148	50.5 Å²	50.5	69%	0.692	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-69.9	-12	176.4	66.4	-87.3	-159.2	0	0	114.3	A411	A411-E413 HydrophobicContact CB-CG 4.46Å; A411-E413 PolarHBondContact O-N 3.5Å; A411-E413 VanDerWaalsContact O-N 3.14Å
414	K	98.2	Very high	98	Very high	54 Å²	54	44.3 Å²	44.3	24%	0.235	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-102.3	9.1	175.4	-62.3	-161.8	178.5	-171.4	0	112.9	E386 Y387 F388 V410 A411 P412	E386-K414 HydrophobicContact CG-CD 3.97Å; E386-K414 VanDerWaalsContact CG-NZ 3.29Å; E386-K414 WeakPolarHBondContact O-CB 3.17Å; E386-K414 WeakPolarHBondContact O-CD 3.25Å; E386-K414 IonicContact OE1-NZ 2.76Å; E386-K414 PolarHBondContact OE1-NZ 2.95Å; Y387-K414 WeakPolarHBondContact CA-O 3.44Å; Y387-K414 HydrophobicContact CD1-CB 3.54Å; Y387-K414 HydrophobicContact CD1-CD 4.08Å; Y387-K414 HydrophobicContact CD1-CG 3.87Å; Y387-K414 HydrophobicContact CE1-CB 3.89Å; Y387-K414 HydrophobicContact CE1-CD 3.84Å; Y387-K414 HydrophobicContact CE1-CG 3.66Å; Y387-K414 HydrophobicContact CG-CB 4.38Å; F388-K414 PolarHBondContact N-O 2.92Å; V410-K414 HydrophobicContact CG1-CB 4.46Å; A411-K414 HydrophobicContact CB-CB 4.48Å; A411-K414 HydrophobicContact CB-CG 4.25Å; A411-K414 WeakPolarHBondContact O-CA 3.38Å; A411-K414 WeakPolarHBondContact O-CB 3.08Å; A411-K414 PolarHBondContact O-N 2.89Å; P412-K414 PolarHBondContact O-N 3.3Å
415	I	98.7	Very high	97.9	Very high	25 Å²	25	45 Å²	45	13%	0.128	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-103.7	119.7	175.9	-56.3	174.5	0	0	0	108.9	F388 A402 A405 A406 V410 P412	F388-I415 HydrophobicContact CB-CG1 4.3Å; F388-I415 HydrophobicContact CD1-CG2 4.09Å; F388-I415 WeakPolarHBondContact O-CA 3.5Å; A402-I415 HydrophobicContact CB-CG2 3.68Å; A402-I415 WeakPolarHBondContact O-CD1 3.27Å; A405-I415 HydrophobicContact CB-CD1 3.98Å; A406-I415 HydrophobicContact CB-CD1 4.03Å; V410-I415 HydrophobicContact CB-CD1 4.33Å; V410-I415 HydrophobicContact CB-CG1 4.32Å; V410-I415 HydrophobicContact CG1-CD1 4.29Å; V410-I415 HydrophobicContact CG1-CG1 3.74Å; P412-I415 PolarHBondContact O-N 3.18Å
416	F	98.4	Very high	97.8	Very high	23 Å²	23	46.2 Å²	46.2	10%	0.101	26%	0.26	C	S	.	.			trans	-103.6	108.9	-179.2	-64.9	-80.9	0	0	0	111.2	Y387 F388 I389 P390 V418 I424 M431 L433	Y387-F416 HydrophobicContact CD1-CD2 4.42Å; Y387-F416 AromaticContact CD1-CE2 3.5Å; Y387-F416 HydrophobicContact CD1-CE2 3.5Å; Y387-F416 VanDerWaalsContact CD1-CE2 3.5Å; Y387-F416 HydrophobicContact CD1-CZ 4.22Å; Y387-F416 HydrophobicContact CE1-CE2 4.06Å; Y387-F416 HydrophobicContact CE1-CZ 4.35Å; Y387-F416 HydrophobicContact CG-CE2 4.25Å; F388-F416 PolarHBondContact O-N 2.99Å; I389-F416 HydrophobicContact CG1-CB 4.34Å; P390-F416 WeakPolarHBondContact CD-O 3.28Å; F416-V418 HydrophobicContact CB-CG1 4.12Å; F416-I424 HydrophobicContact CB-CD1 3.75Å; F416-I424 HydrophobicContact CB-CG1 4.49Å; F416-I424 HydrophobicContact CD1-CG2 4.26Å; F416-I424 HydrophobicContact CD2-CD1 4.24Å; F416-I424 HydrophobicContact CD2-CG2 4.17Å; F416-I424 HydrophobicContact CE1-CG2 4.17Å; F416-I424 HydrophobicContact CE2-CG2 4.05Å; F416-I424 HydrophobicContact CG-CD1 3.95Å; F416-I424 HydrophobicContact CG-CG1 4.42Å; F416-I424 HydrophobicContact CG-CG2 4.28Å; F416-I424 HydrophobicContact CZ-CG2 4.08Å; F416-M431 HydrophobicContact CE2-CB 3.58Å; F416-M431 HydrophobicContact CE2-CG 4.47Å; F416-M431 HydrophobicContact CZ-CB 3.54Å; F416-M431 WeakPolarHBondContact CZ-O 3.45Å; F416-L433 HydrophobicContact CD1-CB 4.32Å; F416-L433 HydrophobicContact CE1-CB 4.45Å
417	L	97.8	Very high	97.3	Very high	68 Å²	68	48.5 Å²	48.5	36%	0.356	27%	0.267	S	S	.	.			trans	-83.4	118.7	162.3	-66.3	170.3	0	0	0	107.9	P390 Q398 I399 A402	P390-L417 HydrophobicContact CG-CD2 3.73Å; Q398-L417 HydrophobicContact CB-CD2 3.89Å; I399-L417 HydrophobicContact CG1-CD1 3.97Å; I399-L417 HydrophobicContact CG1-CD2 4.48Å; A402-L417 HydrophobicContact CB-CD2 4.14Å
418	V	97.1	Very high	96.8	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.03	26%	0.26	C	S	.	.			trans	-125.4	151.4	-172.1	-70	0	0	0	0	112	P15 V19 I389 F416 D422 I424 L433	P15-V418 HydrophobicContact CG-CB 4.27Å; P15-V418 HydrophobicContact CG-CG2 3.83Å; V19-V418 HydrophobicContact CG1-CG2 4.21Å; I389-V418 HydrophobicContact CG2-CG2 3.99Å; F416-V418 HydrophobicContact CB-CG1 4.12Å; V418-D422 HydrophobicContact CB-CB 4.15Å; V418-D422 HydrophobicContact CG1-CB 4.34Å; V418-I424 HydrophobicContact CG1-CD1 3.74Å; V418-I424 HydrophobicContact CG1-CG1 3.86Å; V418-L433 HydrophobicContact CG1-CD1 4.3Å
419	E	96.8	Very high	96.4	Very high	121 Å²	121	50.4 Å²	50.4	57%	0.565	28%	0.282	S	S	*	.			trans	-101.3	169.2	170	-61.1	-178.9	154.4	0	0	111.4	P15 G421 D422 K436	P15-E419 WeakPolarHBondContact CG-O 3.47Å; E419-G421 PolarHBondContact O-N 3.36Å; E419-D422 PolarHBondContact N-OD2 3.41Å; E419-D422 VanDerWaalsContact O-CB 3.31Å; E419-D422 WeakPolarHBondContact O-CB 3.4Å; E419-D422 PolarHBondContact O-N 2.92Å; E419-K436 IonicContact OE2-NZ 2.65Å; E419-K436 PolarHBondContact OE2-NZ 3.45Å; E419-K436 VanDerWaalsContact OE2-NZ 3.12Å
420	K	97	Very high	96.3	Very high	61 Å²	61	50 Å²	50	27%	0.265	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	131.5	173.3	-71.3	171.6	-80.2	-164.8	0	110.1	V19 E21 D422 S439	V19-K420 HydrophobicContact CG2-CB 4.43Å; V19-K420 HydrophobicContact CG2-CG 3.71Å; E21-K420 IonicContact OE1-NZ 3.5Å; E21-K420 IonicContact OE2-NZ 3.55Å; E21-K420 PolarHBondContact OE2-NZ 3.35Å; K420-D422 VanDerWaalsContact C-N 3.27Å; K420-D422 PolarHBondContact O-N 3.47Å; K420-S439 PolarHBondContact O-OG 3.18Å; K420-S439 VanDerWaalsContact O-OG 3.1Å
421	G	97.7	Very high	96.3	Very high	1 Å²	1	50 Å²	50	1%	0.01	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-5.3	179.6	0	0	0	0	0	115.4	P15 E419 K436 V437 S439	P15-G421 PolarHBondContact O-N 2.98Å; E419-G421 PolarHBondContact O-N 3.36Å; G421-K436 CarbonylContact O-C 3.56Å; G421-K436 VanDerWaalsContact O-CA 3.27Å; G421-K436 WeakPolarHBondContact O-CA 3.27Å; G421-V437 WeakPolarHBondContact O-CG2 3.37Å; G421-V437 PolarHBondContact O-N 3.02Å; G421-S439 VanDerWaalsContact CA-OG 3.28Å; G421-S439 WeakPolarHBondContact CA-OG 3.48Å; G421-S439 PolarHBondContact N-OG 2.92Å
422	D	98.3	Very high	96.2	Very high	13 Å²	13	51.2 Å²	51.2	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	144.2	170.9	-82.6	-7.9	0	0	0	111.2	P15 V418 E419 K420 L433 K436	P15-D422 WeakPolarHBondContact CD-O 3.42Å; V418-D422 HydrophobicContact CB-CB 4.15Å; V418-D422 HydrophobicContact CG1-CB 4.34Å; E419-D422 PolarHBondContact N-OD2 3.41Å; E419-D422 VanDerWaalsContact O-CB 3.31Å; E419-D422 WeakPolarHBondContact O-CB 3.4Å; E419-D422 PolarHBondContact O-N 2.92Å; K420-D422 VanDerWaalsContact C-N 3.27Å; K420-D422 PolarHBondContact O-N 3.47Å; D422-L433 HydrophobicContact CB-CD1 3.68Å; D422-K436 WeakPolarHBondContact OD1-CE 3.32Å; D422-K436 WeakPolarHBondContact OD1-CG 3.3Å; D422-K436 IonicContact OD1-NZ 3.04Å; D422-K436 PolarHBondContact OD1-NZ 3.01Å
423	V	98.5	Very high	96.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.6	178.9	-174	0	0	0	0	110.2	R12 I14 N425 N434 E435 V437	R12-V423 HydrophobicContact CB-CG1 4.31Å; I14-V423 HydrophobicContact CD1-CG1 4.24Å; I14-V423 HydrophobicContact CD1-CG2 4.1Å; I14-V423 HydrophobicContact CG1-CB 4.34Å; I14-V423 HydrophobicContact CG1-CG1 3.97Å; I14-V423 HydrophobicContact CG1-CG2 4.02Å; I14-V423 HydrophobicContact CG2-CG2 4.35Å; V423-N425 WeakPolarHBondContact CG1-ND2 3.41Å; V423-N425 VanDerWaalsContact CG1-OD1 3.32Å; V423-N425 WeakPolarHBondContact CG1-OD1 3.49Å; V423-N434 PolarHBondContact O-N 3.19Å; V423-E435 HydrophobicContact CB-CB 3.9Å; V423-E435 HydrophobicContact CB-CG 4.22Å; V423-E435 WeakPolarHBondContact CB-O 3.19Å; V423-E435 HydrophobicContact CG1-CB 4.49Å; V423-E435 HydrophobicContact CG2-CB 4.16Å; V423-E435 HydrophobicContact CG2-CG 3.95Å; V423-E435 PolarHBondContact N-O 3.28Å; V423-V437 HydrophobicContact CG2-CG1 3.7Å
424	I	98.5	Very high	96	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	112	169.2	-46	167.5	0	0	0	107.8	R12 I13 I389 F416 V418 M431 I432 L433	R12-I424 WeakPolarHBondContact CA-O 3.26Å; I13-I424 HydrophobicContact CB-CB 4.48Å; I13-I424 PolarHBondContact N-O 2.76Å; I13-I424 PolarHBondContact O-N 2.99Å; I389-I424 HydrophobicContact CD1-CD1 3.36Å; I389-I424 HydrophobicContact CG1-CD1 3.9Å; I389-I424 HydrophobicContact CG2-CD1 4.49Å; F416-I424 HydrophobicContact CB-CD1 3.75Å; F416-I424 HydrophobicContact CB-CG1 4.49Å; F416-I424 HydrophobicContact CD1-CG2 4.26Å; F416-I424 HydrophobicContact CD2-CD1 4.24Å; F416-I424 HydrophobicContact CD2-CG2 4.17Å; F416-I424 HydrophobicContact CE1-CG2 4.17Å; F416-I424 HydrophobicContact CE2-CG2 4.05Å; F416-I424 HydrophobicContact CG-CD1 3.95Å; F416-I424 HydrophobicContact CG-CG1 4.42Å; F416-I424 HydrophobicContact CG-CG2 4.28Å; F416-I424 HydrophobicContact CZ-CG2 4.08Å; V418-I424 HydrophobicContact CG1-CD1 3.74Å; V418-I424 HydrophobicContact CG1-CG1 3.86Å; I424-M431 HydrophobicContact CB-CE 4.13Å; I424-M431 HydrophobicContact CG2-CB 3.98Å; I424-M431 HydrophobicContact CG2-CE 3.45Å; I424-M431 VanDerWaalsContact CG2-CE 3.45Å; I424-I432 CarbonylContact C-O 3.56Å; I424-I432 WeakPolarHBondContact CA-O 3.34Å; I424-L433 HydrophobicContact CG1-CD1 4.33Å
425	N	97.8	Very high	95.9	Very high	21 Å²	21	49.4 Å²	49.4	11%	0.112	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.1	-177.8	-72.6	-56.4	0	0	0	110.9	R12 V423 M431 I432 N434 E435	R12-N425 WeakPolarHBondContact CD-OD1 3.44Å; R12-N425 WeakPolarHBondContact CG-OD1 2.92Å; R12-N425 PolarHBondContact NE-OD1 3.49Å; V423-N425 WeakPolarHBondContact CG1-ND2 3.41Å; V423-N425 VanDerWaalsContact CG1-OD1 3.32Å; V423-N425 WeakPolarHBondContact CG1-OD1 3.49Å; N425-M431 CarbonylContact O-C 3.59Å; N425-M431 WeakPolarHBondContact O-CA 3.21Å; N425-I432 HydrophobicContact CB-CG1 4.4Å; N425-I432 PolarHBondContact N-O 3.5Å; N425-I432 WeakPolarHBondContact O-CG1 3.08Å; N425-I432 PolarHBondContact O-N 3.01Å; N425-N434 PolarHBondContact ND2-OD1 3.39Å; N425-E435 PolarHBondContact ND2-OE2 3.3Å
426	Y	96	Very high	95.9	Very high	25 Å²	25	54.2 Å²	54.2	10%	0.098	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.6	166.4	-173.2	-117.1	0	0	0	110.7	I11 Y158 F193 G428 K429 M431	I11-Y426 PolarHBondContact O-N 2.89Å; Y158-Y426 HydrophobicContact CD1-CE1 4.37Å; Y158-Y426 HydrophobicContact CD2-CE1 4.29Å; Y158-Y426 AromaticContact CE1-CE1 3.75Å; Y158-Y426 HydrophobicContact CE1-CE1 3.75Å; Y158-Y426 AromaticContact CE1-CZ 3.82Å; Y158-Y426 WeakPolarHBondContact CE1-OH 3.38Å; Y158-Y426 HydrophobicContact CE2-CD1 4.1Å; Y158-Y426 AromaticContact CE2-CE1 3.66Å; Y158-Y426 HydrophobicContact CE2-CE1 3.66Å; Y158-Y426 AromaticContact CZ-CE1 3.36Å; Y158-Y426 AromaticContact CZ-CZ 3.94Å; F193-Y426 HydrophobicContact CE1-CD2 4.37Å; F193-Y426 HydrophobicContact CE2-CE2 4.45Å; F193-Y426 AromaticContact CZ-CD2 3.72Å; F193-Y426 HydrophobicContact CZ-CD2 3.72Å; F193-Y426 AromaticContact CZ-CE2 3.78Å; F193-Y426 HydrophobicContact CZ-CE2 3.78Å; F193-Y426 HydrophobicContact CZ-CG 4.44Å; Y426-G428 VanDerWaalsContact CZ-C 3.44Å; Y426-G428 PolarHBondContact OH-O 3.44Å; Y426-K429 WeakPolarHBondContact CE2-O 3.35Å; Y426-M431 VanDerWaalsContact CB-SD 3.58Å; Y426-M431 HydrophobicContact CD2-CG 4.35Å; Y426-M431 HydrophobicContact CD2-SD 3.82Å; Y426-M431 HydrophobicContact CG-SD 4.15Å
427	N	88.1	Confident	95.8	Very high	86 Å²	86	54.2 Å²	54.2	46%	0.46	28%	0.277	S	S	.	.			trans	-94	13.3	-178	71.2	15	0	0	0	114.4	K429 D430 I432	N427-K429 VanDerWaalsContact C-N 3.32Å; N427-K429 WeakPolarHBondContact OD1-CA 3.49Å; N427-K429 WeakPolarHBondContact OD1-CB 3.39Å; N427-K429 PolarHBondContact OD1-N 3.44Å; N427-D430 VanDerWaalsContact CG-O 3.29Å; N427-D430 PolarHBondContact N-O 3.41Å; N427-D430 VanDerWaalsContact N-O 3.08Å; N427-D430 PolarHBondContact OD1-N 3.2Å; N427-D430 PolarHBondContact OD1-O 3.16Å; N427-D430 VanDerWaalsContact OD1-O 3.09Å; N427-I432 HydrophobicContact CB-CD1 4.07Å; N427-I432 HydrophobicContact CB-CG1 4.45Å
428	G	86.9	Confident	95.7	Very high	49 Å²	49	55.3 Å²	55.3	51%	0.505	28%	0.283	S	S	.	.	S	Bend	trans	88.9	-6	-173.4	0	0	0	0	0	114.5	Y426	Y426-G428 VanDerWaalsContact CZ-C 3.44Å; Y426-G428 PolarHBondContact OH-O 3.44Å
429	K	90.5	Very high	95.6	Very high	155 Å²	155	56.6 Å²	56.6	67%	0.674	29%	0.292	S	S	*	.	S	Bend	trans	-133.4	-57.8	175.5	-174.6	-169.5	167.9	-160.4	0	111.5	Y426 N427	Y426-K429 WeakPolarHBondContact CE2-O 3.35Å; N427-K429 VanDerWaalsContact C-N 3.32Å; N427-K429 WeakPolarHBondContact OD1-CA 3.49Å; N427-K429 WeakPolarHBondContact OD1-CB 3.39Å; N427-K429 PolarHBondContact OD1-N 3.44Å
430	D	94.7	Very high	95.5	Very high	59 Å²	59	52 Å²	52	32%	0.316	28%	0.277	S	S	.	.	S	Bend	trans	-126.8	153.6	-175.1	-60.6	-65.2	0	0	0	110.4	Y387 N427	Y387-D430 WeakPolarHBondContact OH-CA 3.37Å; N427-D430 VanDerWaalsContact CG-O 3.29Å; N427-D430 PolarHBondContact N-O 3.41Å; N427-D430 VanDerWaalsContact N-O 3.08Å; N427-D430 PolarHBondContact OD1-N 3.2Å; N427-D430 PolarHBondContact OD1-O 3.16Å; N427-D430 VanDerWaalsContact OD1-O 3.09Å
431	M	97.3	Very high	95.2	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.049	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	135.5	164.5	-65.3	-65.6	-75.5	0	0	109.3	I13 F193 Y387 F416 I424 N425 Y426	I13-M431 HydrophobicContact CD1-CE 4.15Å; F193-M431 HydrophobicContact CE1-CG 4.36Å; F193-M431 HydrophobicContact CE1-SD 3.85Å; F193-M431 HydrophobicContact CZ-CG 4.03Å; F193-M431 HydrophobicContact CZ-SD 3.96Å; Y387-M431 HydrophobicContact CD1-CB 4.04Å; Y387-M431 HydrophobicContact CD1-CG 4.13Å; Y387-M431 HydrophobicContact CD2-CB 4.46Å; Y387-M431 HydrophobicContact CD2-CG 3.69Å; Y387-M431 HydrophobicContact CE1-CB 3.78Å; Y387-M431 HydrophobicContact CE1-CG 4.05Å; Y387-M431 HydrophobicContact CE2-CB 4.24Å; Y387-M431 HydrophobicContact CE2-CG 3.62Å; Y387-M431 HydrophobicContact CG-CB 4.36Å; Y387-M431 HydrophobicContact CG-CG 3.95Å; Y387-M431 PolarHBondContact OH-N 2.95Å; F416-M431 HydrophobicContact CE2-CB 3.58Å; F416-M431 HydrophobicContact CE2-CG 4.47Å; F416-M431 HydrophobicContact CZ-CB 3.54Å; F416-M431 WeakPolarHBondContact CZ-O 3.45Å; I424-M431 HydrophobicContact CB-CE 4.13Å; I424-M431 HydrophobicContact CG2-CB 3.98Å; I424-M431 HydrophobicContact CG2-CE 3.45Å; I424-M431 VanDerWaalsContact CG2-CE 3.45Å; N425-M431 CarbonylContact O-C 3.59Å; N425-M431 WeakPolarHBondContact O-CA 3.21Å; Y426-M431 VanDerWaalsContact CB-SD 3.58Å; Y426-M431 HydrophobicContact CD2-CG 4.35Å; Y426-M431 HydrophobicContact CD2-SD 3.82Å; Y426-M431 HydrophobicContact CG-SD 4.15Å
432	I	96.8	Very high	95	Very high	57 Å²	57	54.2 Å²	54.2	29%	0.292	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.4	179.3	58.5	172.5	0	0	0	110.8	I424 N425 N427 N434	I424-I432 CarbonylContact C-O 3.56Å; I424-I432 WeakPolarHBondContact CA-O 3.34Å; N425-I432 HydrophobicContact CB-CG1 4.4Å; N425-I432 PolarHBondContact N-O 3.5Å; N425-I432 WeakPolarHBondContact O-CG1 3.08Å; N425-I432 PolarHBondContact O-N 3.01Å; N427-I432 HydrophobicContact CB-CD1 4.07Å; N427-I432 HydrophobicContact CB-CG1 4.45Å; I432-N434 HydrophobicContact CD1-CB 4.25Å; I432-N434 VanDerWaalsContact CD1-ND2 3.32Å; I432-N434 WeakPolarHBondContact CD1-ND2 3.45Å; I432-N434 HydrophobicContact CG1-CB 4.46Å
433	L	96.4	Very high	94.8	Very high	79 Å²	79	54.1 Å²	54.1	41%	0.414	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	103.8	172.1	177.5	65.2	0	0	0	108.4	F416 V418 D422 I424	F416-L433 HydrophobicContact CD1-CB 4.32Å; F416-L433 HydrophobicContact CE1-CB 4.45Å; V418-L433 HydrophobicContact CG1-CD1 4.3Å; D422-L433 HydrophobicContact CB-CD1 3.68Å; I424-L433 HydrophobicContact CG1-CD1 4.33Å
434	N	94.3	Very high	94.4	Very high	100 Å²	100	54.3 Å²	54.3	54%	0.535	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	5.8	-168.8	71.7	-26.8	0	0	0	116.1	V423 N425 I432	V423-N434 PolarHBondContact O-N 3.19Å; N425-N434 PolarHBondContact ND2-OD1 3.39Å; I432-N434 HydrophobicContact CD1-CB 4.25Å; I432-N434 VanDerWaalsContact CD1-ND2 3.32Å; I432-N434 WeakPolarHBondContact CD1-ND2 3.45Å; I432-N434 HydrophobicContact CG1-CB 4.46Å
435	E	96.9	Very high	93.9	Very high	79 Å²	79	56.5 Å²	56.5	37%	0.369	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155.5	-178.9	174.6	-172.7	-179.8	0	0	109.7	R12 V423 N425	R12-E435 IonicContact CZ-OE1 2.85Å; R12-E435 IonicContact CZ-OE2 3.56Å; R12-E435 IonicContact NE-OE2 3.56Å; R12-E435 IonicContact NH2-OE1 3.98Å; R12-E435 PolarHBondContact NH2-OE1 2.69Å; R12-E435 IonicContact NH2-OE2 2.79Å; R12-E435 PolarHBondContact NH2-OE2 3.14Å; V423-E435 HydrophobicContact CB-CB 3.9Å; V423-E435 HydrophobicContact CB-CG 4.22Å; V423-E435 WeakPolarHBondContact CB-O 3.19Å; V423-E435 HydrophobicContact CG1-CB 4.49Å; V423-E435 HydrophobicContact CG2-CB 4.16Å; V423-E435 HydrophobicContact CG2-CG 3.95Å; V423-E435 PolarHBondContact N-O 3.28Å; N425-E435 PolarHBondContact ND2-OE2 3.3Å
436	K	97.5	Very high	93.2	Very high	126 Å²	126	58 Å²	58	55%	0.548	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.5	169.7	-76.9	-171.1	-177.9	-90.4	0	109.7	E419 G421 D422	E419-K436 IonicContact OE2-NZ 2.65Å; E419-K436 PolarHBondContact OE2-NZ 3.45Å; E419-K436 VanDerWaalsContact OE2-NZ 3.12Å; G421-K436 CarbonylContact O-C 3.56Å; G421-K436 VanDerWaalsContact O-CA 3.27Å; G421-K436 WeakPolarHBondContact O-CA 3.27Å; D422-K436 WeakPolarHBondContact OD1-CE 3.32Å; D422-K436 WeakPolarHBondContact OD1-CG 3.3Å; D422-K436 IonicContact OD1-NZ 3.04Å; D422-K436 PolarHBondContact OD1-NZ 3.01Å
437	V	97.7	Very high	92.3	Very high	22 Å²	22	65.1 Å²	65.1	13%	0.133	36%	0.361	C	S	.	.			trans	-112.1	166.1	171.6	-60.2	0	0	0	0	110.7	I14 L16 Y61 G421 V423 S439	I14-V437 HydrophobicContact CD1-CG1 4.42Å; I14-V437 HydrophobicContact CG2-CG2 3.53Å; L16-V437 HydrophobicContact CD2-CG2 4.23Å; Y61-V437 HydrophobicContact CD2-CB 3.71Å; Y61-V437 HydrophobicContact CD2-CG1 3.48Å; Y61-V437 VanDerWaalsContact CD2-CG1 3.48Å; Y61-V437 HydrophobicContact CD2-CG2 4.22Å; Y61-V437 HydrophobicContact CE2-CB 4.26Å; Y61-V437 HydrophobicContact CE2-CG1 3.51Å; Y61-V437 HydrophobicContact CG-CB 4.11Å; Y61-V437 HydrophobicContact CG-CG1 4.23Å; Y61-V437 HydrophobicContact CG-CG2 4.15Å; G421-V437 WeakPolarHBondContact O-CG2 3.37Å; G421-V437 PolarHBondContact O-N 3.02Å; V423-V437 HydrophobicContact CG2-CG1 3.7Å; V437-S439 PolarHBondContact O-N 3.19Å
438	N	95.8	Very high	91.8	Very high	91 Å²	91	61.4 Å²	61.4	49%	0.487	34%	0.343	S	S	.	.			trans	-62.4	129.8	172.8	-169.2	37.1	0	0	0	110.2	D58 S60	D58-N438 PolarHBondContact OD2-ND2 2.85Å; S60-N438 PolarHBondContact OG-ND2 2.98Å
439	S	95.1	Very high	91.6	Very high	33 Å²	33	62.3 Å²	62.3	23%	0.231	34%	0.336	C	S	.	.			trans	-155.8	161.4	179.8	66.7	0	0	0	0	109.6	K420 G421 V437	K420-S439 PolarHBondContact O-OG 3.18Å; K420-S439 VanDerWaalsContact O-OG 3.1Å; G421-S439 VanDerWaalsContact CA-OG 3.28Å; G421-S439 WeakPolarHBondContact CA-OG 3.48Å; G421-S439 PolarHBondContact N-OG 2.92Å; V437-S439 PolarHBondContact O-N 3.19Å
440	G	93	Very high	90.9	Very high	23 Å²	23	57 Å²	57	24%	0.237	33%	0.325	C	S	.	.			trans	162	-166.1	-178.2	0	0	0	0	0	112.5	D58	D58-G440 PolarHBondContact N-O 2.85Å
441	N	92	Very high	90.1	Very high	64 Å²	64	59.2 Å²	59.2	34%	0.342	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.8	177.4	-67.8	-10	0	0	0	109.4	K24 V55 L443	K24-N441 PolarHBondContact NZ-OD1 2.8Å; V55-N441 HydrophobicContact CG1-CB 3.75Å; N441-L443 HydrophobicContact CB-CD2 4.36Å
442	I	93.7	Very high	89.1	Confident	46 Å²	46	59.2 Å²	59.2	24%	0.236	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.4	162.7	-57.7	-61.1	0	0	0	107.3	I56 D58 I449	I56-I442 HydrophobicContact CD1-CB 4.49Å; I56-I442 HydrophobicContact CD1-CG2 4.46Å; I56-I442 HydrophobicContact CG1-CB 3.85Å; I56-I442 HydrophobicContact CG1-CG2 4.23Å; I56-I442 PolarHBondContact N-O 3Å; I56-I442 PolarHBondContact O-N 2.81Å; D58-I442 HydrophobicContact CB-CD1 4.33Å; D58-I442 HydrophobicContact CB-CG1 4.18Å; I442-I449 HydrophobicContact CG2-CG2 4.07Å
443	L	93	Very high	88.2	Confident	11 Å²	11	58.1 Å²	58.1	6%	0.058	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	138.8	-178.6	-52.2	-179.4	0	0	0	109.8	M49 I52 V55 N441 G450 V452 L457	M49-L443 HydrophobicContact SD-CD2 4.4Å; I52-L443 HydrophobicContact CD1-CB 3.79Å; I52-L443 HydrophobicContact CD1-CD1 4.07Å; I52-L443 HydrophobicContact CD1-CG 4.45Å; I52-L443 HydrophobicContact CG1-CB 4.37Å; I52-L443 HydrophobicContact CG1-CD1 4.3Å; I52-L443 HydrophobicContact CG2-CB 4.41Å; I52-L443 HydrophobicContact CG2-CD2 4.48Å; V55-L443 HydrophobicContact CG1-CD2 4.11Å; V55-L443 HydrophobicContact CG2-CD2 3.88Å; N441-L443 HydrophobicContact CB-CD2 4.36Å; L443-G450 WeakPolarHBondContact O-CA 3.27Å; L443-G450 PolarHBondContact O-N 2.87Å; L443-V452 HydrophobicContact CB-CB 4.38Å; L443-V452 HydrophobicContact CD1-CG1 4.35Å; L443-V452 WeakPolarHBondContact CD1-O 3.5Å; L443-L457 HydrophobicContact CD1-CD1 3.47Å; L443-L457 VanDerWaalsContact CD1-CD1 3.47Å; L443-L457 HydrophobicContact CD1-CD2 4.48Å; L443-L457 HydrophobicContact CD1-CG 3.99Å
444	I	89.9	Confident	87.3	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.015	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.8	178	-63.5	155.1	0	0	0	108.9	D53 I54 I56 Y87 G448 I449	D53-I444 PolarHBondContact N-O 2.93Å; I54-I444 HydrophobicContact CB-CB 4.26Å; I54-I444 HydrophobicContact CB-CD1 4.19Å; I54-I444 HydrophobicContact CG2-CD1 4.07Å; I54-I444 PolarHBondContact N-O 3.35Å; I54-I444 PolarHBondContact O-N 3.05Å; I56-I444 HydrophobicContact CD1-CD1 3.93Å; I56-I444 HydrophobicContact CG1-CD1 4.01Å; I56-I444 HydrophobicContact CG2-CD1 3.83Å; Y87-I444 HydrophobicContact CD1-CD1 3.66Å; Y87-I444 HydrophobicContact CD1-CG1 4.46Å; Y87-I444 HydrophobicContact CD2-CD1 4.35Å; Y87-I444 HydrophobicContact CE1-CD1 3.31Å; Y87-I444 HydrophobicContact CE1-CG1 4.05Å; Y87-I444 HydrophobicContact CE1-CG2 4.23Å; Y87-I444 HydrophobicContact CE2-CD1 4.05Å; Y87-I444 HydrophobicContact CG-CD1 4.18Å; I444-G448 WeakPolarHBondContact CA-O 3.44Å; I444-I449 HydrophobicContact CG1-CG1 4.44Å; I444-I449 HydrophobicContact CG1-CG2 4.39Å
445	D	87.7	Confident	86.7	Confident	48 Å²	48	61.5 Å²	61.5	26%	0.257	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	103.3	177.8	-176.9	-15.2	0	0	0	108.7	I52 I447 G448 V452 R460	I52-D445 HydrophobicContact CD1-CB 4.46Å; D445-I447 PolarHBondContact O-N 3.19Å; D445-G448 PolarHBondContact N-O 3.44Å; D445-G448 VanDerWaalsContact N-O 3.09Å; D445-G448 PolarHBondContact O-N 3.23Å; D445-V452 HydrophobicContact CB-CG2 3.67Å; D445-R460 IonicContact OD2-CZ 3.29Å; D445-R460 IonicContact OD2-NH1 3.14Å; D445-R460 PolarHBondContact OD2-NH1 2.98Å; D445-R460 IonicContact OD2-NH2 3.66Å; D445-R460 PolarHBondContact OD2-NH2 3.25Å
446	G	83.8	Confident	86.2	Confident	51 Å²	51	60.4 Å²	60.4	53%	0.526	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	-107.2	-174.3	0	0	0	0	0	112.9	D53	D53-G446 WeakPolarHBondContact OD2-CA 3.33Å; D53-G446 PolarHBondContact OD2-N 3.07Å
447	I	78.2	Confident	85.6	Confident	175 Å²	175	55.4 Å²	55.4	90%	0.897	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-12.1	177	60.3	170.5	0	0	0	112.8	D445	D445-I447 PolarHBondContact O-N 3.19Å
448	G	77	Confident	85	Confident	9 Å²	9	61.4 Å²	61.4	9%	0.093	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	125	179.3	0	0	0	0	0	111.1	I444 D445 D451	I444-G448 WeakPolarHBondContact CA-O 3.44Å; D445-G448 PolarHBondContact N-O 3.44Å; D445-G448 VanDerWaalsContact N-O 3.09Å; D445-G448 PolarHBondContact O-N 3.23Å; G448-D451 VanDerWaalsContact CA-CG 3.44Å; G448-D451 WeakPolarHBondContact CA-OD1 3.45Å; G448-D451 VanDerWaalsContact CA-OD2 3.31Å; G448-D451 WeakPolarHBondContact CA-OD2 3.4Å
449	I	81.7	Confident	84.7	Confident	67 Å²	67	59.8 Å²	59.8	34%	0.344	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	110	173.9	-58.3	168.3	0	0	0	107.2	Y87 I442 I444 D451	Y87-I449 HydrophobicContact CD1-CD1 3.85Å; Y87-I449 HydrophobicContact CD1-CG1 4.2Å; Y87-I449 HydrophobicContact CE1-CD1 4.15Å; Y87-I449 HydrophobicContact CE1-CG1 4.23Å; I442-I449 HydrophobicContact CG2-CG2 4.07Å; I444-I449 HydrophobicContact CG1-CG1 4.44Å; I444-I449 HydrophobicContact CG1-CG2 4.39Å; I449-D451 PolarHBondContact O-N 3.26Å
450	G	77.3	Confident	84.4	Confident	43 Å²	43	61.6 Å²	61.6	44%	0.443	35%	0.348	S	S	.	.	S	Bend	trans	70.1	10.3	178	0	0	0	0	0	115.1	L443 V452	L443-G450 WeakPolarHBondContact O-CA 3.27Å; L443-G450 PolarHBondContact O-N 2.87Å; G450-V452 VanDerWaalsContact C-N 3.33Å
451	D	77.1	Confident	84.1	Confident	106 Å²	106	63.1 Å²	63.1	57%	0.567	35%	0.35	S	S	*	.			trans	-76.7	-22.6	172.4	60.4	-26.5	0	0	0	112.4	G448 I449	G448-D451 VanDerWaalsContact CA-CG 3.44Å; G448-D451 WeakPolarHBondContact CA-OD1 3.45Å; G448-D451 VanDerWaalsContact CA-OD2 3.31Å; G448-D451 WeakPolarHBondContact CA-OD2 3.4Å; I449-D451 PolarHBondContact O-N 3.26Å
452	V	76.3	Confident	83.9	Confident	10 Å²	10	63.2 Å²	63.2	6%	0.061	35%	0.349	C	S	.	.			trans	-90	103.7	172.3	-170.6	0	0	0	0	110	I52 L443 D445 G450 V456 L457	I52-V452 HydrophobicContact CD1-CB 3.94Å; I52-V452 HydrophobicContact CD1-CG1 3.66Å; I52-V452 HydrophobicContact CD1-CG2 4.23Å; L443-V452 HydrophobicContact CB-CB 4.38Å; L443-V452 HydrophobicContact CD1-CG1 4.35Å; L443-V452 WeakPolarHBondContact CD1-O 3.5Å; D445-V452 HydrophobicContact CB-CG2 3.67Å; G450-V452 VanDerWaalsContact C-N 3.33Å; V452-V456 HydrophobicContact CG1-CB 3.9Å; V452-V456 HydrophobicContact CG1-CG1 3.85Å; V452-L457 HydrophobicContact CG1-CD2 4.26Å; V452-L457 HydrophobicContact CG1-CG 4.3Å
453	G	77.8	Confident	83.8	Confident	34 Å²	34	64.4 Å²	64.4	35%	0.351	36%	0.356	S	S	.	.			trans	-92.5	173.1	170.9	0	0	0	0	0	113.3	I455 V456 L457	G453-I455 PolarHBondContact O-N 3.27Å; G453-V456 WeakPolarHBondContact O-CB 3.37Å; G453-V456 PolarHBondContact O-N 3.36Å; G453-L457 PolarHBondContact O-N 3.37Å
454	N	78.2	Confident	83.6	Confident	136 Å²	136	67.4 Å²	67.4	73%	0.727	38%	0.382	S	S	*	.	H	α-helix	trans	-55.8	-27.8	177	-70.2	-20.7	0	0	0	113.7	R458	N454-R458 WeakPolarHBondContact O-CB 3.36Å; N454-R458 PolarHBondContact O-N 2.93Å
455	I	82.1	Confident	83.5	Confident	115 Å²	115	73.4 Å²	73.4	59%	0.59	41%	0.41	S	S	*	.	H	α-helix	trans	-66.5	-43.9	176.2	-60.2	171.4	0	0	0	110.4	G453 R458 D459	G453-I455 PolarHBondContact O-N 3.27Å; I455-R458 PolarHBondContact O-N 3.38Å; I455-D459 VanDerWaalsContact O-CG 3.3Å; I455-D459 PolarHBondContact O-N 3.48Å
456	V	86	Confident	83.5	Confident	56 Å²	56	72.9 Å²	72.9	34%	0.339	41%	0.407	S	S	.	.	H	α-helix	trans	-65.8	-42.3	179	179.5	0	0	0	0	110.1	V452 G453 D459 R460	V452-V456 HydrophobicContact CG1-CB 3.9Å; V452-V456 HydrophobicContact CG1-CG1 3.85Å; G453-V456 WeakPolarHBondContact O-CB 3.37Å; G453-V456 PolarHBondContact O-N 3.36Å; V456-D459 PolarHBondContact O-N 2.92Å; V456-R460 WeakPolarHBondContact O-CG 3.48Å; V456-R460 PolarHBondContact O-N 3.29Å
457	L	84.7	Confident	83.9	Confident	20 Å²	20	70.5 Å²	70.5	11%	0.105	38%	0.383	C	S	.	.	H	α-helix	trans	-60.3	-45	173.8	-72.6	-176.2	0	0	0	112.2	I52 L443 V452 G453 D459 R460 H461	I52-L457 HydrophobicContact CD1-CD2 4.13Å; I52-L457 HydrophobicContact CG1-CD2 3.89Å; L443-L457 HydrophobicContact CD1-CD1 3.47Å; L443-L457 VanDerWaalsContact CD1-CD1 3.47Å; L443-L457 HydrophobicContact CD1-CD2 4.48Å; L443-L457 HydrophobicContact CD1-CG 3.99Å; V452-L457 HydrophobicContact CG1-CD2 4.26Å; V452-L457 HydrophobicContact CG1-CG 4.3Å; G453-L457 PolarHBondContact O-N 3.37Å; L457-D459 VanDerWaalsContact C-N 3.31Å; L457-D459 PolarHBondContact O-N 2.98Å; L457-R460 WeakPolarHBondContact O-CB 3.38Å; L457-R460 PolarHBondContact O-N 3.39Å; L457-H461 PolarHBondContact O-CD2 3.3Å; L457-H461 PolarHBondContact O-N 2.78Å
458	R	85.8	Confident	84.6	Confident	148 Å²	148	63.7 Å²	63.7	56%	0.558	35%	0.348	S	S	*	.	H	α-helix	trans	-59.6	-43.4	176.4	-172.2	-170.7	69.9	-171.5	-0.2	111.5	N454 I455 R460 H461 L462	N454-R458 WeakPolarHBondContact O-CB 3.36Å; N454-R458 PolarHBondContact O-N 2.93Å; I455-R458 PolarHBondContact O-N 3.38Å; R458-R460 VanDerWaalsContact C-N 3.33Å; R458-H461 PolarHBondContact O-N 2.93Å; R458-L462 HydrophobicContact CG-CD1 4.39Å; R458-L462 WeakPolarHBondContact O-CG 3.39Å; R458-L462 PolarHBondContact O-N 3.01Å
459	D	87.8	Confident	85.4	Confident	57 Å²	57	63.3 Å²	63.3	31%	0.305	34%	0.344	S	S	.	.	H	α-helix	trans	-65.2	-39.1	178.1	-69.3	-7.5	0	0	0	110.9	I455 V456 L457 L462 L463 M549	I455-D459 VanDerWaalsContact O-CG 3.3Å; I455-D459 PolarHBondContact O-N 3.48Å; V456-D459 PolarHBondContact O-N 2.92Å; L457-D459 VanDerWaalsContact C-N 3.31Å; L457-D459 PolarHBondContact O-N 2.98Å; D459-L462 PolarHBondContact O-N 3.03Å; D459-L463 WeakPolarHBondContact O-CB 3.18Å; D459-L463 WeakPolarHBondContact O-CG 3.47Å; D459-L463 PolarHBondContact O-N 3.42Å; D459-M549 HydrophobicContact CB-CE 3.98Å
460	R	89.8	Confident	86	Confident	71 Å²	71	62.3 Å²	62.3	27%	0.268	34%	0.339	S	S	.	.	H	α-helix	trans	-60.6	-43.5	172.6	-72.2	179.3	-179.7	-179.7	-1.7	112.2	L50 G51 D445 V456 L457 R458 L463 A464	L50-R460 HydrophobicContact CB-CB 4.04Å; L50-R460 HydrophobicContact CD1-CB 4.09Å; L50-R460 WeakPolarHBondContact O-CD 3.44Å; L50-R460 PolarHBondContact O-NH1 3.37Å; G51-R460 PolarHBondContact O-NH1 3.48Å; D445-R460 IonicContact OD2-CZ 3.29Å; D445-R460 IonicContact OD2-NH1 3.14Å; D445-R460 PolarHBondContact OD2-NH1 2.98Å; D445-R460 IonicContact OD2-NH2 3.66Å; D445-R460 PolarHBondContact OD2-NH2 3.25Å; V456-R460 WeakPolarHBondContact O-CG 3.48Å; V456-R460 PolarHBondContact O-N 3.29Å; L457-R460 WeakPolarHBondContact O-CB 3.38Å; L457-R460 PolarHBondContact O-N 3.39Å; R458-R460 VanDerWaalsContact C-N 3.33Å; R460-L463 PolarHBondContact O-N 3.41Å; R460-A464 WeakPolarHBondContact O-CB 3.31Å; R460-A464 PolarHBondContact O-N 3.04Å
461	H	87.3	Confident	86.7	Confident	56 Å²	56	60.3 Å²	60.3	26%	0.259	32%	0.318	S	S	.	.	H	α-helix	trans	-60.9	-50	176	-84.9	-66.1	0	0	0	112.3	E48 L457 R458 L463 A464 E465	E48-H461 PolarHBondContact O-CE1 3.05Å; E48-H461 PolarHBondContact O-NE2 3.29Å; L457-H461 PolarHBondContact O-CD2 3.3Å; L457-H461 PolarHBondContact O-N 2.78Å; R458-H461 PolarHBondContact O-N 2.93Å; H461-L463 PolarHBondContact O-N 3.2Å; H461-A464 PolarHBondContact O-N 3.02Å; H461-E465 PolarHBondContact O-N 2.9Å
462	L	86.4	Confident	87.6	Confident	65 Å²	65	57.1 Å²	57.1	34%	0.34	30%	0.302	S	S	.	.	H	α-helix	trans	-58.5	-40	179	-70.7	171.6	0	0	0	111.6	R458 D459 D466 G467 M549	R458-L462 HydrophobicContact CG-CD1 4.39Å; R458-L462 WeakPolarHBondContact O-CG 3.39Å; R458-L462 PolarHBondContact O-N 3.01Å; D459-L462 PolarHBondContact O-N 3.03Å; L462-D466 PolarHBondContact O-N 2.74Å; L462-G467 PolarHBondContact O-N 3.05Å; L462-M549 HydrophobicContact CB-CE 3.92Å; L462-M549 HydrophobicContact CD1-CE 3.99Å
463	L	92.1	Very high	88.5	Confident	72 Å²	72	56.6 Å²	56.6	38%	0.377	30%	0.299	S	S	.	.	H	α-helix	trans	-66.6	-38.9	175.3	-69.4	171.1	0	0	0	112.7	D459 R460 H461 G467 I468 M549	D459-L463 WeakPolarHBondContact O-CB 3.18Å; D459-L463 WeakPolarHBondContact O-CG 3.47Å; D459-L463 PolarHBondContact O-N 3.42Å; R460-L463 PolarHBondContact O-N 3.41Å; H461-L463 PolarHBondContact O-N 3.2Å; L463-G467 VanDerWaalsContact O-CA 3.29Å; L463-G467 WeakPolarHBondContact O-CA 3.29Å; L463-G467 PolarHBondContact O-N 3.19Å; L463-I468 HydrophobicContact CD2-CB 3.61Å; L463-I468 HydrophobicContact CD2-CD1 3.99Å; L463-I468 HydrophobicContact CD2-CG1 4.2Å; L463-I468 HydrophobicContact CD2-CG2 4.27Å; L463-M549 HydrophobicContact CD2-CB 4.46Å; L463-M549 HydrophobicContact CD2-SD 4.15Å; L463-M549 HydrophobicContact CG-CE 4.41Å; L463-M549 HydrophobicContact CG-SD 4.48Å
464	A	89.1	Confident	89.2	Confident	73 Å²	73	56.5 Å²	56.5	60%	0.603	29%	0.292	S	S	*	.	H	α-helix	trans	-71	-39.6	180	0	0	0	0	0	112.6	L50 R460 H461	L50-A464 HydrophobicContact CD1-CB 3.85Å; R460-A464 WeakPolarHBondContact O-CB 3.31Å; R460-A464 PolarHBondContact O-N 3.04Å; H461-A464 PolarHBondContact O-N 3.02Å
465	E	87.9	Confident	89.7	Confident	130 Å²	130	50 Å²	50	61%	0.607	26%	0.257	S	S	*	.	H	α-helix	trans	-82.7	-47.8	-176.1	-68.4	-173.2	153	0	0	113	H461 R546	H461-E465 PolarHBondContact O-N 2.9Å; E465-R546 PolarHBondContact O-NH2 3.44Å
466	D	87.8	Confident	90.1	Very high	36 Å²	36	45.2 Å²	45.2	19%	0.193	23%	0.233	C	C	.	.	H	α-helix	trans	-116.2	-9.1	-169	-85.3	-39.9	0	0	0	114	L462 F493 R546 R547	L462-D466 PolarHBondContact O-N 2.74Å; D466-F493 WeakPolarHBondContact O-CB 3.42Å; D466-F493 WeakPolarHBondContact O-CD2 3.48Å; D466-R546 IonicContact OD1-NE 2.73Å; D466-R547 VanDerWaalsContact CB-O 3.28Å; D466-R547 WeakPolarHBondContact CB-O 3.28Å
467	G	91.6	Very high	89.8	Confident	2 Å²	2	44.4 Å²	44.4	2%	0.021	23%	0.229	C	C	.	.			trans	72.5	-168.1	-177.7	0	0	0	0	0	113.2	L462 L463 R491 M549	L462-G467 PolarHBondContact O-N 3.05Å; L463-G467 VanDerWaalsContact O-CA 3.29Å; L463-G467 WeakPolarHBondContact O-CA 3.29Å; L463-G467 PolarHBondContact O-N 3.19Å; G467-R491 WeakPolarHBondContact CA-O 3.45Å; G467-M549 PolarHBondContact O-N 3.39Å
468	I	93.3	Very high	89.8	Confident	32 Å²	32	52.7 Å²	52.7	16%	0.164	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.6	-174.8	-172.8	168.4	0	0	0	111.6	L463 I470 S490 R491 M549 I551	L463-I468 HydrophobicContact CD2-CB 3.61Å; L463-I468 HydrophobicContact CD2-CD1 3.99Å; L463-I468 HydrophobicContact CD2-CG1 4.2Å; L463-I468 HydrophobicContact CD2-CG2 4.27Å; I468-I470 HydrophobicContact CD1-CD1 4.05Å; I468-I470 HydrophobicContact CD1-CG1 3.96Å; I468-I470 HydrophobicContact CG1-CD1 4.42Å; I468-I470 HydrophobicContact CG1-CG1 3.88Å; I468-S490 WeakPolarHBondContact O-CA 3.01Å; I468-R491 HydrophobicContact CG2-CB 3.73Å; I468-R491 PolarHBondContact N-O 3.05Å; I468-R491 PolarHBondContact O-N 2.78Å; I468-M549 WeakPolarHBondContact CA-O 3.44Å; I468-M549 WeakPolarHBondContact CG1-O 3.35Å; I468-I551 HydrophobicContact CD1-CD1 3.62Å; I468-I551 HydrophobicContact CD1-CG1 4.16Å; I468-I551 HydrophobicContact CG1-CD1 4.43Å; I468-I551 HydrophobicContact CG1-CG1 4.46Å
469	F	92.6	Very high	89.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	112.3	178.2	-166.2	-84.8	0	0	0	109.6	I488 F493 L503 A506 I536 L540 P548 M549 I550 I551	F469-I488 HydrophobicContact CD1-CG2 4.25Å; F469-I488 HydrophobicContact CD2-CG2 4.23Å; F469-I488 HydrophobicContact CE1-CD1 3.84Å; F469-I488 HydrophobicContact CE1-CG1 4.27Å; F469-I488 HydrophobicContact CE1-CG2 3.55Å; F469-I488 HydrophobicContact CE2-CG2 3.54Å; F469-I488 HydrophobicContact CZ-CB 4.34Å; F469-I488 HydrophobicContact CZ-CD1 3.67Å; F469-I488 HydrophobicContact CZ-CG1 4.31Å; F469-I488 HydrophobicContact CZ-CG2 3.19Å; F469-F493 AromaticContact CD2-CD1 3.94Å; F469-F493 HydrophobicContact CD2-CD1 3.94Å; F469-F493 HydrophobicContact CD2-CE1 4.15Å; F469-F493 HydrophobicContact CE2-CE1 4.48Å; F469-L503 HydrophobicContact CE2-CD2 3.82Å; F469-L503 HydrophobicContact CZ-CD2 4.37Å; F469-A506 HydrophobicContact CE1-CB 4.48Å; F469-A506 HydrophobicContact CZ-CB 3.77Å; F469-I536 HydrophobicContact CD1-CG2 4.09Å; F469-I536 HydrophobicContact CE1-CG2 3.7Å; F469-I536 HydrophobicContact CZ-CG2 4.28Å; F469-L540 HydrophobicContact CB-CD1 4.29Å; F469-L540 HydrophobicContact CD1-CD1 4.11Å; F469-L540 HydrophobicContact CD2-CD1 3.67Å; F469-L540 HydrophobicContact CE1-CD1 4.28Å; F469-L540 HydrophobicContact CE2-CD1 3.85Å; F469-L540 HydrophobicContact CE2-CD2 3.99Å; F469-L540 HydrophobicContact CG-CD1 3.77Å; F469-L540 HydrophobicContact CZ-CD1 4.12Å; F469-L540 HydrophobicContact CZ-CD2 4.28Å; F469-P548 HydrophobicContact CB-CB 4.14Å; F469-P548 HydrophobicContact CB-CG 4.1Å; F469-M549 PolarHBondContact N-O 2.9Å; F469-I550 HydrophobicContact CB-CG1 4.17Å; F469-I550 HydrophobicContact CD1-CG1 4.48Å; F469-I550 CarbonylContact O-C 3.51Å; F469-I550 VanDerWaalsContact O-CA 3.27Å; F469-I550 WeakPolarHBondContact O-CA 3.49Å; F469-I551 PolarHBondContact O-N 2.93Å
470	I	94.4	Very high	89.8	Confident	46 Å²	46	52.9 Å²	52.9	24%	0.236	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.4	-175.8	-51	178.8	0	0	0	108	I468 V472 I488 Q489 I551 V553	I468-I470 HydrophobicContact CD1-CD1 4.05Å; I468-I470 HydrophobicContact CD1-CG1 3.96Å; I468-I470 HydrophobicContact CG1-CD1 4.42Å; I468-I470 HydrophobicContact CG1-CG1 3.88Å; I470-V472 HydrophobicContact CG2-CG2 3.94Å; I470-I488 CarbonylContact O-C 3.5Å; I470-I488 WeakPolarHBondContact O-CA 3.5Å; I470-Q489 HydrophobicContact CB-CB 4.39Å; I470-Q489 PolarHBondContact N-O 2.87Å; I470-Q489 PolarHBondContact O-N 2.75Å; I470-I551 WeakPolarHBondContact CA-O 3.43Å; I470-I551 HydrophobicContact CG1-CB 4.49Å; I470-V553 HydrophobicContact CG2-CG2 4.07Å
471	A	93.5	Very high	89.8	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	114.3	176.2	0	0	0	0	0	109.1	I488 V510 M532 I551 P552 V553	A471-I488 HydrophobicContact CB-CG1 4.48Å; A471-V510 HydrophobicContact CB-CG2 4.11Å; A471-M532 HydrophobicContact CB-CE 3.73Å; A471-I551 PolarHBondContact N-O 2.9Å; A471-P552 WeakPolarHBondContact O-CA 3.41Å; A471-V553 PolarHBondContact O-N 2.72Å
472	V	95.1	Very high	89.9	Confident	39 Å²	39	54.9 Å²	54.9	24%	0.236	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.8	-176.6	-172.8	0	0	0	0	109.7	I470 P486 E487 V553	I470-V472 HydrophobicContact CG2-CG2 3.94Å; V472-P486 CarbonylContact O-C 3.55Å; V472-P486 WeakPolarHBondContact O-CA 3.44Å; V472-E487 PolarHBondContact N-O 2.8Å; V472-E487 PolarHBondContact O-N 3.04Å; V472-V553 CarbonylContact C-O 3.53Å; V472-V553 WeakPolarHBondContact CA-O 3.45Å; V472-V553 HydrophobicContact CG1-CB 4.36Å; V472-V553 HydrophobicContact CG1-CG1 4.47Å; V472-V553 HydrophobicContact CG2-CB 4.16Å; V472-V553 HydrophobicContact CG2-CG2 4.43Å
473	V	94.3	Very high	90.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.6	175.8	-165	0	0	0	0	109.7	L475 I482 P486 V510 V514 M532 V553 I554 S555	V473-L475 HydrophobicContact CG1-CD2 3.68Å; V473-I482 HydrophobicContact CG1-CD1 4.32Å; V473-I482 HydrophobicContact CG1-CG1 4.11Å; V473-I482 HydrophobicContact CG1-CG2 3.77Å; V473-P486 HydrophobicContact CG2-CB 3.91Å; V473-P486 HydrophobicContact CG2-CG 4.1Å; V473-V510 HydrophobicContact CG2-CG1 3.61Å; V473-V514 HydrophobicContact CG1-CG1 4.26Å; V473-V514 HydrophobicContact CG1-CG2 4.49Å; V473-V514 HydrophobicContact CG2-CG2 4.25Å; V473-M532 HydrophobicContact CG2-CE 4.26Å; V473-V553 PolarHBondContact N-O 2.94Å; V473-I554 WeakPolarHBondContact O-CA 3.46Å; V473-S555 PolarHBondContact O-N 2.98Å
474	T	92.7	Very high	90	Very high	32 Å²	32	52.9 Å²	52.9	20%	0.196	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.6	175.7	-53.7	0	0	0	0	109.3	I482 A483 A484 S555 I557	T474-I482 CarbonylContact O-C 3.55Å; T474-A483 HydrophobicContact CG2-CB 4.26Å; T474-A483 PolarHBondContact O-N 3.35Å; T474-A484 PolarHBondContact N-O 2.87Å; T474-A484 PolarHBondContact O-N 3.18Å; T474-A484 VanDerWaalsContact O-N 3.13Å; T474-S555 CarbonylContact C-O 3.48Å; T474-S555 WeakPolarHBondContact CA-O 3.45Å; T474-I557 HydrophobicContact CG2-CG2 3.3Å
475	L	90.3	Very high	89.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	149.7	-172	-54.1	-177.3	0	0	0	111.3	V473 P477 I482 V514 L518 W525 I554 S555 E556 I557	V473-L475 HydrophobicContact CG1-CD2 3.68Å; L475-P477 WeakPolarHBondContact O-CD 3.49Å; L475-I482 HydrophobicContact CD2-CB 4.43Å; L475-I482 HydrophobicContact CD2-CG1 3.86Å; L475-V514 HydrophobicContact CD2-CG1 3.6Å; L475-L518 HydrophobicContact CD1-CD2 4.41Å; L475-L518 HydrophobicContact CD2-CD1 4.28Å; L475-W525 HydrophobicContact CD1-CE3 4.04Å; L475-W525 HydrophobicContact CD1-CH2 3.69Å; L475-W525 HydrophobicContact CD1-CZ3 3.2Å; L475-I554 HydrophobicContact CD1-CG2 3.36Å; L475-I554 HydrophobicContact CG-CG2 3.87Å; L475-S555 PolarHBondContact N-O 3.38Å; L475-E556 CarbonylContact O-C 3.55Å; L475-E556 WeakPolarHBondContact O-CA 3.34Å; L475-I557 PolarHBondContact O-N 2.72Å
476	D	89	Confident	90.1	Very high	14 Å²	14	45 Å²	45	8%	0.075	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	96.2	166.3	172.8	-10.8	0	0	0	107	K478 N479 R480 R481 A483	D476-K478 PolarHBondContact O-N 3.07Å; D476-K478 PolarHBondContact OD1-N 3.07Å; D476-N479 PolarHBondContact O-N 3.49Å; D476-N479 PolarHBondContact OD1-N 3.27Å; D476-N479 PolarHBondContact OD1-ND2 3.39Å; D476-N479 WeakPolarHBondContact OD2-CB 3.49Å; D476-N479 PolarHBondContact OD2-ND2 2.98Å; D476-R480 WeakPolarHBondContact O-CA 3.34Å; D476-R480 PolarHBondContact O-N 2.88Å; D476-R481 HydrophobicContact CB-CG 3.94Å; D476-R481 PolarHBondContact N-O 2.85Å; D476-R481 PolarHBondContact O-N 2.93Å; D476-R481 IonicContact OD2-CZ 3.62Å; D476-R481 IonicContact OD2-NE 3.35Å; D476-R481 PolarHBondContact OD2-NE 2.98Å; D476-R481 VanDerWaalsContact OD2-NE 3.15Å; D476-R481 IonicContact OD2-NH2 3.51Å; D476-R481 PolarHBondContact OD2-NH2 2.98Å; D476-A483 HydrophobicContact CB-CB 4.17Å
477	P	81.3	Confident	90.3	Very high	38 Å²	38	48.4 Å²	48.4	25%	0.247	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.7	-174.5	-19.9	30.5	0	0	0	112.5	L475 R480 W525 E556	L475-P477 WeakPolarHBondContact O-CD 3.49Å; P477-R480 PolarHBondContact O-N 3.21Å; P477-W525 HydrophobicContact CG-CZ2 4.47Å; P477-E556 HydrophobicContact CG-CB 4.02Å; P477-E556 HydrophobicContact CG-CG 3.79Å; P477-E556 WeakPolarHBondContact CG-OE2 3.43Å
478	K	84.3	Confident	90.3	Very high	194 Å²	194	49.2 Å²	49.2	84%	0.843	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-45	-178.4	-69.7	178.2	-179	169	0	111.1	D476	D476-K478 PolarHBondContact O-N 3.07Å; D476-K478 PolarHBondContact OD1-N 3.07Å
479	N	86.1	Confident	90.1	Very high	102 Å²	102	51.8 Å²	51.8	55%	0.545	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	2.4	179.5	-62.8	-54.6	0	0	0	113.1	D476 R481	D476-N479 PolarHBondContact O-N 3.49Å; D476-N479 PolarHBondContact OD1-N 3.27Å; D476-N479 PolarHBondContact OD1-ND2 3.39Å; D476-N479 WeakPolarHBondContact OD2-CB 3.49Å; D476-N479 PolarHBondContact OD2-ND2 2.98Å; N479-R481 VanDerWaalsContact C-N 3.28Å; N479-R481 HydrophobicContact CB-CG 3.97Å; N479-R481 PolarHBondContact O-N 2.86Å
480	R	86.5	Confident	89.9	Confident	108 Å²	108	52 Å²	52	41%	0.408	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	45.2	178.9	-47	-171.6	76.6	167.9	12.4	112.5	D476 P477 L518 E520	D476-R480 WeakPolarHBondContact O-CA 3.34Å; D476-R480 PolarHBondContact O-N 2.88Å; P477-R480 PolarHBondContact O-N 3.21Å; R480-L518 PolarHBondContact NE-O 3.16Å; R480-L518 PolarHBondContact NH2-O 3.48Å; R480-E520 PolarHBondContact NH1-O 3.5Å; R480-E520 PolarHBondContact NH2-O 2.95Å
481	R	89.4	Confident	89.7	Confident	142 Å²	142	58.1 Å²	58.1	54%	0.536	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	160.3	-176.4	67.4	-179.5	177.5	164.4	1.6	112	D476 N479 A483	D476-R481 HydrophobicContact CB-CG 3.94Å; D476-R481 PolarHBondContact N-O 2.85Å; D476-R481 PolarHBondContact O-N 2.93Å; D476-R481 IonicContact OD2-CZ 3.62Å; D476-R481 IonicContact OD2-NE 3.35Å; D476-R481 PolarHBondContact OD2-NE 2.98Å; D476-R481 VanDerWaalsContact OD2-NE 3.15Å; D476-R481 IonicContact OD2-NH2 3.51Å; D476-R481 PolarHBondContact OD2-NH2 2.98Å; N479-R481 VanDerWaalsContact C-N 3.28Å; N479-R481 HydrophobicContact CB-CG 3.97Å; N479-R481 PolarHBondContact O-N 2.86Å; R481-A483 PolarHBondContact O-N 3.04Å
482	I	91.2	Very high	89.3	Confident	27 Å²	27	61.1 Å²	61.1	14%	0.138	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	118.5	168	-60.5	170.8	0	0	0	107.8	V473 T474 L475 A484 R511 V514 E515 L518	V473-I482 HydrophobicContact CG1-CD1 4.32Å; V473-I482 HydrophobicContact CG1-CG1 4.11Å; V473-I482 HydrophobicContact CG1-CG2 3.77Å; T474-I482 CarbonylContact O-C 3.55Å; L475-I482 HydrophobicContact CD2-CB 4.43Å; L475-I482 HydrophobicContact CD2-CG1 3.86Å; I482-A484 WeakPolarHBondContact CG2-O 3.49Å; I482-R511 HydrophobicContact CD1-CG 3.99Å; I482-V514 HydrophobicContact CD1-CB 4.14Å; I482-V514 HydrophobicContact CD1-CG1 3.83Å; I482-V514 HydrophobicContact CG1-CG1 3.74Å; I482-E515 HydrophobicContact CD1-CG 4.01Å; I482-L518 HydrophobicContact CG1-CD1 4.32Å
483	A	90.3	Very high	88.9	Confident	43 Å²	43	59.5 Å²	59.5	36%	0.355	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-37.3	176.4	0	0	0	0	0	112	T474 D476 R481 I557	T474-A483 HydrophobicContact CG2-CB 4.26Å; T474-A483 PolarHBondContact O-N 3.35Å; D476-A483 HydrophobicContact CB-CB 4.17Å; R481-A483 PolarHBondContact O-N 3.04Å; A483-I557 HydrophobicContact CB-CD1 3.74Å; A483-I557 HydrophobicContact CB-CG1 4.02Å
484	A	89.6	Confident	88.2	Confident	51 Å²	51	60.8 Å²	60.8	42%	0.421	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	152.4	174.2	0	0	0	0	0	111.5	T474 I482	T474-A484 PolarHBondContact N-O 2.87Å; T474-A484 PolarHBondContact O-N 3.18Å; T474-A484 VanDerWaalsContact O-N 3.13Å; I482-A484 WeakPolarHBondContact CG2-O 3.49Å
485	G	87.3	Confident	87.4	Confident	30 Å²	30	65.6 Å²	65.6	31%	0.309	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	86.1	-163.8	-175	0	0	0	0	0	114.1	R511	G485-R511 PolarHBondContact O-NH2 2.85Å
486	P	91.5	Very high	86.3	Confident	9 Å²	9	68.7 Å²	68.7	6%	0.058	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-63.4	142	-1.4	-19.9	33.7	0	0	0	113.1	V472 V473 V510 R511	V472-P486 CarbonylContact O-C 3.55Å; V472-P486 WeakPolarHBondContact O-CA 3.44Å; V473-P486 HydrophobicContact CG2-CB 3.91Å; V473-P486 HydrophobicContact CG2-CG 4.1Å; P486-V510 HydrophobicContact CB-CB 4.02Å; P486-V510 HydrophobicContact CB-CG1 3.64Å; P486-V510 HydrophobicContact CG-CB 3.97Å; P486-V510 HydrophobicContact CG-CG1 3.6Å; P486-R511 HydrophobicContact CG-CB 4Å
487	E	91.9	Very high	85.2	Confident	107 Å²	107	77.3 Å²	77.3	50%	0.5	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131	169.2	-171.7	-173	148.7	0	0	108.9	V472 Q489	V472-E487 PolarHBondContact N-O 2.8Å; V472-E487 PolarHBondContact O-N 3.04Å; E487-Q489 PolarHBondContact OE1-NE2 3.06Å
488	I	91.2	Very high	84.8	Confident	18 Å²	18	83.3 Å²	83.3	9%	0.092	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.4	-179.5	-64.9	-175.8	0	0	0	110.6	F469 I470 A471 L503 A506 E507	F469-I488 HydrophobicContact CD1-CG2 4.25Å; F469-I488 HydrophobicContact CD2-CG2 4.23Å; F469-I488 HydrophobicContact CE1-CD1 3.84Å; F469-I488 HydrophobicContact CE1-CG1 4.27Å; F469-I488 HydrophobicContact CE1-CG2 3.55Å; F469-I488 HydrophobicContact CE2-CG2 3.54Å; F469-I488 HydrophobicContact CZ-CB 4.34Å; F469-I488 HydrophobicContact CZ-CD1 3.67Å; F469-I488 HydrophobicContact CZ-CG1 4.31Å; F469-I488 HydrophobicContact CZ-CG2 3.19Å; I470-I488 CarbonylContact O-C 3.5Å; I470-I488 WeakPolarHBondContact O-CA 3.5Å; A471-I488 HydrophobicContact CB-CG1 4.48Å; I488-L503 HydrophobicContact CG2-CD2 3.69Å; I488-A506 HydrophobicContact CD1-CB 3.51Å; I488-E507 HydrophobicContact CB-CG 4.27Å; I488-E507 HydrophobicContact CD1-CB 4.26Å; I488-E507 HydrophobicContact CD1-CG 3.58Å; I488-E507 HydrophobicContact CG1-CG 3.7Å
489	Q	89.8	Confident	84.6	Confident	87 Å²	87	75.3 Å²	75.3	41%	0.407	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.4	172.4	-61	-172.2	5.6	0	0	110.2	I470 E487	I470-Q489 HydrophobicContact CB-CB 4.39Å; I470-Q489 PolarHBondContact N-O 2.87Å; I470-Q489 PolarHBondContact O-N 2.75Å; E487-Q489 PolarHBondContact OE1-NE2 3.06Å
490	S	89	Confident	84.3	Confident	5 Å²	5	75.4 Å²	75.4	4%	0.035	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140	179.7	176.3	0	0	0	0	110.9	I468	I468-S490 WeakPolarHBondContact O-CA 3.01Å
491	R	89.4	Confident	84.3	Confident	173 Å²	173	76.1 Å²	76.1	65%	0.653	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	131.3	173.7	-66.4	-69.1	-176.9	-96.2	1.4	109.4	G467 I468 F493	G467-R491 WeakPolarHBondContact CA-O 3.45Å; I468-R491 HydrophobicContact CG2-CB 3.73Å; I468-R491 PolarHBondContact N-O 3.05Å; I468-R491 PolarHBondContact O-N 2.78Å; R491-F493 PolarHBondContact O-N 2.86Å
492	G	85.9	Confident	84.2	Confident	64 Å²	64	70.4 Å²	70.4	66%	0.66	37%	0.365	S	S	*	.	S	Bend	trans	71.2	-8.9	178.1	0	0	0	0	0	116.3
493	F	85	Confident	84.1	Confident	6 Å²	6	70 Å²	70	3%	0.026	36%	0.364	C	S	.	.	S	Bend	trans	-93.3	-58.8	-176.6	170.1	-120.7	0	0	0	113.3	D466 F469 R491 L540 T544 R546 P548	D466-F493 WeakPolarHBondContact O-CB 3.42Å; D466-F493 WeakPolarHBondContact O-CD2 3.48Å; F469-F493 AromaticContact CD2-CD1 3.94Å; F469-F493 HydrophobicContact CD2-CD1 3.94Å; F469-F493 HydrophobicContact CD2-CE1 4.15Å; F469-F493 HydrophobicContact CE2-CE1 4.48Å; R491-F493 PolarHBondContact O-N 2.86Å; F493-L540 HydrophobicContact CE1-CB 4.41Å; F493-L540 HydrophobicContact CE1-CD1 3.9Å; F493-L540 HydrophobicContact CE1-CD2 3.78Å; F493-L540 HydrophobicContact CE1-CG 4.23Å; F493-L540 HydrophobicContact CZ-CB 3.9Å; F493-L540 HydrophobicContact CZ-CD1 4.13Å; F493-L540 HydrophobicContact CZ-CD2 4.06Å; F493-L540 HydrophobicContact CZ-CG 4.24Å; F493-T544 HydrophobicContact CE2-CG2 4.31Å; F493-T544 WeakPolarHBondContact CE2-OG1 3.42Å; F493-T544 HydrophobicContact CZ-CG2 3.73Å; F493-T544 WeakPolarHBondContact CZ-OG1 3.45Å; F493-R546 HydrophobicContact CD2-CB 4.33Å; F493-R546 HydrophobicContact CE2-CB 3.82Å; F493-R546 PolarHBondContact O-NH1 3Å; F493-P548 HydrophobicContact CB-CB 4.01Å; F493-P548 HydrophobicContact CD1-CB 4.26Å; F493-P548 HydrophobicContact CD1-CG 3.96Å; F493-P548 HydrophobicContact CD2-CB 3.61Å; F493-P548 HydrophobicContact CD2-CG 3.58Å; F493-P548 HydrophobicContact CE1-CG 4Å; F493-P548 HydrophobicContact CE2-CB 4.15Å; F493-P548 VanDerWaalsContact CE2-CD 3.45Å; F493-P548 HydrophobicContact CE2-CG 3.59Å; F493-P548 HydrophobicContact CG-CB 3.68Å; F493-P548 HydrophobicContact CG-CG 3.78Å; F493-P548 HydrophobicContact CZ-CG 3.82Å
494	V	81.2	Confident	84.1	Confident	27 Å²	27	74.6 Å²	74.6	16%	0.164	37%	0.372	C	S	.	.	S	Bend	trans	-133.4	149.8	179.2	-70.6	0	0	0	0	111.1	V496 L502 T544	V494-V496 PolarHBondContact O-N 3.46Å; V494-V496 VanDerWaalsContact O-N 3.1Å; V494-L502 HydrophobicContact CG1-CD2 4.31Å; V494-T544 HydrophobicContact CG1-CG2 4.05Å
495	Y	74	Confident	84.1	Confident	133 Å²	133	76.7 Å²	76.7	52%	0.522	37%	0.372	S	S	.	.			trans	-74.8	100.8	172.5	-169.8	-113.8	0	0	0	109	R497 E498 S499	Y495-R497 HydrophobicContact CD1-CB 4.07Å; Y495-R497 HydrophobicContact CE1-CB 3.68Å; Y495-R497 HydrophobicContact CE1-CG 4.22Å; Y495-R497 PolarHBondContact O-N 3.15Å; Y495-E498 HydrophobicContact CD1-CB 4.15Å; Y495-E498 HydrophobicContact CD1-CG 3.81Å; Y495-E498 HydrophobicContact CE1-CG 4.35Å; Y495-E498 PolarHBondContact O-N 2.89Å; Y495-S499 PolarHBondContact O-N 3.36Å
496	V	68.6	Low	84.4	Confident	64 Å²	64	75.2 Å²	75.2	39%	0.388	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-46.8	-39.3	-170.3	175.2	0	0	0	0	113.5	V494 E498 S499 E500 L503	V494-V496 PolarHBondContact O-N 3.46Å; V494-V496 VanDerWaalsContact O-N 3.1Å; V496-E498 VanDerWaalsContact C-N 3.29Å; V496-E498 PolarHBondContact O-N 3.43Å; V496-S499 PolarHBondContact O-N 3.1Å; V496-E500 PolarHBondContact O-N 2.85Å; V496-L503 HydrophobicContact CB-CD1 4.42Å; V496-L503 HydrophobicContact CG1-CD1 3.81Å; V496-L503 HydrophobicContact CG2-CD1 4.48Å
497	R	64.7	Low	84.5	Confident	196 Å²	196	78 Å²	78	74%	0.74	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-67.7	-25.7	-178	-65.8	-176.9	176.2	173.8	-3.3	114.3	Y495	Y495-R497 HydrophobicContact CD1-CB 4.07Å; Y495-R497 HydrophobicContact CE1-CB 3.68Å; Y495-R497 HydrophobicContact CE1-CG 4.22Å; Y495-R497 PolarHBondContact O-N 3.15Å
498	E	73.5	Confident	84.6	Confident	164 Å²	164	79.6 Å²	79.6	77%	0.766	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-101.7	-2.5	-179.9	-71.8	173.9	-172.5	0	0	111.9	Y495 V496	Y495-E498 HydrophobicContact CD1-CB 4.15Å; Y495-E498 HydrophobicContact CD1-CG 3.81Å; Y495-E498 HydrophobicContact CE1-CG 4.35Å; Y495-E498 PolarHBondContact O-N 2.89Å; V496-E498 VanDerWaalsContact C-N 3.29Å; V496-E498 PolarHBondContact O-N 3.43Å
499	S	79.5	Confident	84.7	Confident	25 Å²	25	81.3 Å²	81.3	18%	0.175	38%	0.384	C	S	.	.			trans	-124.6	25.1	-175	-57.4	0	0	0	0	112.6	Y495 V496 D501 L502 L503	Y495-S499 PolarHBondContact O-N 3.36Å; V496-S499 PolarHBondContact O-N 3.1Å; S499-D501 VanDerWaalsContact C-N 3.27Å; S499-D501 PolarHBondContact O-N 2.79Å; S499-L502 PolarHBondContact O-N 3.06Å; S499-L503 WeakPolarHBondContact O-CG 3.37Å; S499-L503 PolarHBondContact O-N 3.02Å
500	E	81.6	Confident	84.9	Confident	105 Å²	105	77.2 Å²	77.2	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-56.5	-41.2	178	-72.6	-166.4	178	0	0	112.3	V496 L503 R504	V496-E500 PolarHBondContact O-N 2.85Å; E500-L503 PolarHBondContact O-N 2.62Å; E500-R504 WeakPolarHBondContact O-CG 3.2Å; E500-R504 PolarHBondContact O-N 3.39Å; E500-R504 IonicContact OE2-NH2 2.76Å
501	D	85.8	Confident	85.2	Confident	123 Å²	123	81.7 Å²	81.7	66%	0.658	38%	0.381	S	S	*	.	H	α-helix	trans	-65.2	-42.7	179.9	-66.4	-30.6	0	0	0	111.7	S499 L503 R504 E505	S499-D501 VanDerWaalsContact C-N 3.27Å; S499-D501 PolarHBondContact O-N 2.79Å; D501-L503 VanDerWaalsContact C-N 3.32Å; D501-L503 PolarHBondContact O-N 3.21Å; D501-R504 PolarHBondContact O-N 3.32Å; D501-E505 WeakPolarHBondContact O-CB 3.14Å; D501-E505 PolarHBondContact O-N 2.88Å
502	L	87.3	Confident	85.5	Confident	21 Å²	21	78.7 Å²	78.7	11%	0.11	37%	0.374	C	S	.	.	H	α-helix	trans	-63.3	-39.5	175.5	179.9	65.7	0	0	0	111.6	V494 S499 A506 L540 T544	V494-L502 HydrophobicContact CG1-CD2 4.31Å; S499-L502 PolarHBondContact O-N 3.06Å; L502-A506 WeakPolarHBondContact O-CB 3.47Å; L502-A506 PolarHBondContact O-N 3.38Å; L502-L540 HydrophobicContact CD1-CD2 4.15Å; L502-L540 HydrophobicContact CD2-CD2 4.09Å; L502-L540 HydrophobicContact CG-CD2 4.11Å; L502-T544 HydrophobicContact CD2-CG2 3.64Å
503	L	88.5	Confident	85.8	Confident	20 Å²	20	76 Å²	76	11%	0.105	35%	0.345	C	S	.	.	H	α-helix	trans	-67.2	-42	177.7	-68.6	173	0	0	0	111.2	F469 I488 V496 S499 E500 D501 A506 E507	F469-L503 HydrophobicContact CE2-CD2 3.82Å; F469-L503 HydrophobicContact CZ-CD2 4.37Å; I488-L503 HydrophobicContact CG2-CD2 3.69Å; V496-L503 HydrophobicContact CB-CD1 4.42Å; V496-L503 HydrophobicContact CG1-CD1 3.81Å; V496-L503 HydrophobicContact CG2-CD1 4.48Å; S499-L503 WeakPolarHBondContact O-CG 3.37Å; S499-L503 PolarHBondContact O-N 3.02Å; E500-L503 PolarHBondContact O-N 2.62Å; D501-L503 VanDerWaalsContact C-N 3.32Å; D501-L503 PolarHBondContact O-N 3.21Å; L503-A506 PolarHBondContact O-N 2.88Å; L503-E507 WeakPolarHBondContact O-CG 3.36Å; L503-E507 PolarHBondContact O-N 2.97Å
504	R	89.9	Confident	86.1	Confident	139 Å²	139	75.7 Å²	75.7	53%	0.525	34%	0.344	S	S	.	.	H	α-helix	trans	-62.9	-45	174.2	-76	-178.6	-173.2	155.2	10.9	112	E500 D501 A506 E507 E508	E500-R504 WeakPolarHBondContact O-CG 3.2Å; E500-R504 PolarHBondContact O-N 3.39Å; E500-R504 IonicContact OE2-NH2 2.76Å; D501-R504 PolarHBondContact O-N 3.32Å; R504-A506 VanDerWaalsContact C-N 3.27Å; R504-A506 PolarHBondContact O-N 3.49Å; R504-E507 WeakPolarHBondContact O-CB 3.46Å; R504-E507 PolarHBondContact O-N 3.35Å; R504-E507 VanDerWaalsContact O-N 3.12Å; R504-E508 WeakPolarHBondContact O-CG 3.39Å; R504-E508 PolarHBondContact O-N 3.38Å
505	E	91.4	Very high	86.6	Confident	94 Å²	94	78.6 Å²	78.6	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-60.2	-41	176.4	-171.9	178.7	-171.3	0	0	111	D501 E508 K509 L539	D501-E505 WeakPolarHBondContact O-CB 3.14Å; D501-E505 PolarHBondContact O-N 2.88Å; E505-E508 PolarHBondContact O-N 3.04Å; E505-K509 WeakPolarHBondContact O-CB 3.27Å; E505-K509 PolarHBondContact O-N 3.12Å; E505-L539 HydrophobicContact CG-CD1 4.1Å; E505-L539 HydrophobicContact CG-CD2 4.17Å; E505-L539 WeakPolarHBondContact OE1-CD1 3.32Å
506	A	92.8	Very high	87.3	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66.2	-38.9	174.4	0	0	0	0	0	112.4	F469 I488 L502 L503 R504 K509 V510 I536 L539	F469-A506 HydrophobicContact CE1-CB 4.48Å; F469-A506 HydrophobicContact CZ-CB 3.77Å; I488-A506 HydrophobicContact CD1-CB 3.51Å; L502-A506 WeakPolarHBondContact O-CB 3.47Å; L502-A506 PolarHBondContact O-N 3.38Å; L503-A506 PolarHBondContact O-N 2.88Å; R504-A506 VanDerWaalsContact C-N 3.27Å; R504-A506 PolarHBondContact O-N 3.49Å; A506-K509 PolarHBondContact O-N 3.28Å; A506-V510 WeakPolarHBondContact O-CG2 3.43Å; A506-V510 PolarHBondContact O-N 2.99Å; A506-I536 HydrophobicContact CB-CD1 4.35Å; A506-L539 HydrophobicContact CB-CD2 4.01Å
507	E	93.4	Very high	88.3	Confident	68 Å²	68	72.3 Å²	72.3	32%	0.318	34%	0.339	S	S	.	.	H	α-helix	trans	-62	-45.6	174.9	-78.1	177.1	178.9	0	0	111.6	I488 L503 R504 K509 V510 R511	I488-E507 HydrophobicContact CB-CG 4.27Å; I488-E507 HydrophobicContact CD1-CB 4.26Å; I488-E507 HydrophobicContact CD1-CG 3.58Å; I488-E507 HydrophobicContact CG1-CG 3.7Å; L503-E507 WeakPolarHBondContact O-CG 3.36Å; L503-E507 PolarHBondContact O-N 2.97Å; R504-E507 WeakPolarHBondContact O-CB 3.46Å; R504-E507 PolarHBondContact O-N 3.35Å; R504-E507 VanDerWaalsContact O-N 3.12Å; E507-K509 VanDerWaalsContact C-N 3.33Å; E507-V510 PolarHBondContact O-N 2.98Å; E507-R511 WeakPolarHBondContact O-CB 3.46Å; E507-R511 PolarHBondContact O-N 2.85Å
508	E	94.1	Very high	89.4	Confident	139 Å²	139	63.2 Å²	63.2	65%	0.65	31%	0.305	S	S	*	.	H	α-helix	trans	-61	-43.8	174.9	-72.1	-176.4	167.6	0	0	111	R504 E505 R511 E512	R504-E508 WeakPolarHBondContact O-CG 3.39Å; R504-E508 PolarHBondContact O-N 3.38Å; E505-E508 PolarHBondContact O-N 3.04Å; E508-R511 WeakPolarHBondContact O-CB 3.13Å; E508-R511 PolarHBondContact O-N 2.87Å; E508-E512 PolarHBondContact O-N 2.88Å
509	K	93.8	Very high	90	Very high	55 Å²	55	63.2 Å²	63.2	24%	0.239	31%	0.305	C	S	.	.	H	α-helix	trans	-64.6	-41.5	177.7	-164.1	73.4	-160.4	160.1	0	112.4	E505 A506 E507 R511 E512 I513 I536 L539	E505-K509 WeakPolarHBondContact O-CB 3.27Å; E505-K509 PolarHBondContact O-N 3.12Å; A506-K509 PolarHBondContact O-N 3.28Å; E507-K509 VanDerWaalsContact C-N 3.33Å; K509-R511 VanDerWaalsContact C-N 3.34Å; K509-E512 VanDerWaalsContact NZ-CD 3.29Å; K509-E512 IonicContact NZ-OE1 3.58Å; K509-E512 PolarHBondContact NZ-OE1 2.9Å; K509-E512 IonicContact NZ-OE2 3.12Å; K509-E512 PolarHBondContact NZ-OE2 3.33Å; K509-E512 PolarHBondContact O-N 3.49Å; K509-I513 HydrophobicContact CG-CD1 4.18Å; K509-I513 VanDerWaalsContact O-CD1 3.31Å; K509-I513 WeakPolarHBondContact O-CD1 3.39Å; K509-I513 WeakPolarHBondContact O-CG1 3.26Å; K509-I513 PolarHBondContact O-N 3.25Å; K509-I513 VanDerWaalsContact O-N 3.1Å; K509-I536 HydrophobicContact CB-CD1 3.83Å; K509-I536 HydrophobicContact CG-CD1 3.98Å; K509-L539 HydrophobicContact CB-CD2 4.24Å
510	V	94.3	Very high	90.2	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-44.3	173.9	171	0	0	0	0	110.5	A471 V473 P486 A506 E507 E512 I513 V514 M532 I536	A471-V510 HydrophobicContact CB-CG2 4.11Å; V473-V510 HydrophobicContact CG2-CG1 3.61Å; P486-V510 HydrophobicContact CB-CB 4.02Å; P486-V510 HydrophobicContact CB-CG1 3.64Å; P486-V510 HydrophobicContact CG-CB 3.97Å; P486-V510 HydrophobicContact CG-CG1 3.6Å; A506-V510 WeakPolarHBondContact O-CG2 3.43Å; A506-V510 PolarHBondContact O-N 2.99Å; E507-V510 PolarHBondContact O-N 2.98Å; V510-E512 PolarHBondContact O-N 2.94Å; V510-I513 PolarHBondContact O-N 2.77Å; V510-V514 HydrophobicContact CG1-CG2 4.16Å; V510-V514 WeakPolarHBondContact O-CB 3.32Å; V510-V514 VanDerWaalsContact O-CG2 3.29Å; V510-V514 WeakPolarHBondContact O-CG2 3.48Å; V510-V514 PolarHBondContact O-N 3.01Å; V510-M532 HydrophobicContact CG1-CE 3.59Å; V510-M532 HydrophobicContact CG1-SD 4.38Å; V510-M532 HydrophobicContact CG2-CE 4.21Å; V510-I536 HydrophobicContact CG2-CD1 3.63Å; V510-I536 HydrophobicContact CG2-CG1 3.85Å
511	R	94.8	Very high	89.9	Confident	100 Å²	100	71.9 Å²	71.9	38%	0.377	34%	0.339	S	S	.	.	H	α-helix	trans	-58.6	-47.9	178.6	-175.1	-178.9	-60.8	-78.9	-5	111	I482 G485 P486 E507 E508 K509 I513 V514 E515	I482-R511 HydrophobicContact CD1-CG 3.99Å; G485-R511 PolarHBondContact O-NH2 2.85Å; P486-R511 HydrophobicContact CG-CB 4Å; E507-R511 WeakPolarHBondContact O-CB 3.46Å; E507-R511 PolarHBondContact O-N 2.85Å; E508-R511 WeakPolarHBondContact O-CB 3.13Å; E508-R511 PolarHBondContact O-N 2.87Å; K509-R511 VanDerWaalsContact C-N 3.34Å; R511-I513 PolarHBondContact O-N 2.86Å; R511-V514 PolarHBondContact O-N 2.99Å; R511-E515 HydrophobicContact CG-CG 4.36Å; R511-E515 WeakPolarHBondContact CG-OE1 3.11Å; R511-E515 WeakPolarHBondContact O-CB 3.47Å; R511-E515 WeakPolarHBondContact O-CG 3.38Å; R511-E515 PolarHBondContact O-N 3.34Å
512	E	94.4	Very high	89.8	Confident	109 Å²	109	74.7 Å²	74.7	51%	0.509	34%	0.341	S	S	.	.	H	α-helix	trans	-55.9	-48.9	177	-174	-165	155.9	0	0	111.8	E508 K509 V510 V514 E515 A516	E508-E512 PolarHBondContact O-N 2.88Å; K509-E512 VanDerWaalsContact NZ-CD 3.29Å; K509-E512 IonicContact NZ-OE1 3.58Å; K509-E512 PolarHBondContact NZ-OE1 2.9Å; K509-E512 IonicContact NZ-OE2 3.12Å; K509-E512 PolarHBondContact NZ-OE2 3.33Å; K509-E512 PolarHBondContact O-N 3.49Å; V510-E512 PolarHBondContact O-N 2.94Å; E512-V514 PolarHBondContact O-N 3.33Å; E512-E515 PolarHBondContact O-N 3.35Å; E512-A516 WeakPolarHBondContact O-CB 3.44Å; E512-A516 PolarHBondContact O-N 3.47Å
513	I	92.7	Very high	89.6	Confident	8 Å²	8	75.6 Å²	75.6	4%	0.041	35%	0.345	C	S	.	.	H	α-helix	trans	-62.8	-44.6	-178.7	-66.2	161.5	0	0	0	111.2	K509 V510 R511 G517 N531 M532 Q535	K509-I513 HydrophobicContact CG-CD1 4.18Å; K509-I513 VanDerWaalsContact O-CD1 3.31Å; K509-I513 WeakPolarHBondContact O-CD1 3.39Å; K509-I513 WeakPolarHBondContact O-CG1 3.26Å; K509-I513 PolarHBondContact O-N 3.25Å; K509-I513 VanDerWaalsContact O-N 3.1Å; V510-I513 PolarHBondContact O-N 2.77Å; R511-I513 PolarHBondContact O-N 2.86Å; I513-G517 PolarHBondContact O-N 3.31Å; I513-N531 HydrophobicContact CG2-CB 3.7Å; I513-M532 HydrophobicContact CG2-CG 3.94Å; I513-Q535 HydrophobicContact CD1-CB 3.59Å; I513-Q535 HydrophobicContact CD1-CG 4.13Å
514	V	92.2	Very high	89.5	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-69.1	-44.5	-178.3	171.9	0	0	0	0	110.9	V473 L475 I482 V510 R511 E512 A516 G517 L518 I528 M532	V473-V514 HydrophobicContact CG1-CG1 4.26Å; V473-V514 HydrophobicContact CG1-CG2 4.49Å; V473-V514 HydrophobicContact CG2-CG2 4.25Å; L475-V514 HydrophobicContact CD2-CG1 3.6Å; I482-V514 HydrophobicContact CD1-CB 4.14Å; I482-V514 HydrophobicContact CD1-CG1 3.83Å; I482-V514 HydrophobicContact CG1-CG1 3.74Å; V510-V514 HydrophobicContact CG1-CG2 4.16Å; V510-V514 WeakPolarHBondContact O-CB 3.32Å; V510-V514 VanDerWaalsContact O-CG2 3.29Å; V510-V514 WeakPolarHBondContact O-CG2 3.48Å; V510-V514 PolarHBondContact O-N 3.01Å; R511-V514 PolarHBondContact O-N 2.99Å; E512-V514 PolarHBondContact O-N 3.33Å; V514-A516 VanDerWaalsContact C-N 3.33Å; V514-A516 PolarHBondContact O-N 3.47Å; V514-G517 PolarHBondContact O-N 2.91Å; V514-L518 HydrophobicContact CG1-CD1 3.98Å; V514-L518 HydrophobicContact CG1-CG 4.35Å; V514-L518 WeakPolarHBondContact O-CB 3.41Å; V514-L518 VanDerWaalsContact O-CG 3.26Å; V514-L518 WeakPolarHBondContact O-CG 3.36Å; V514-L518 PolarHBondContact O-N 3.28Å; V514-I528 HydrophobicContact CG2-CG2 3.95Å; V514-M532 HydrophobicContact CG2-SD 4.01Å
515	E	91.2	Very high	89.4	Confident	87 Å²	87	74.4 Å²	74.4	41%	0.407	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-39.9	177.5	-73.9	177.9	-178	0	0	111.7	I482 R511 E512 L518 Q519	I482-E515 HydrophobicContact CD1-CG 4.01Å; R511-E515 HydrophobicContact CG-CG 4.36Å; R511-E515 WeakPolarHBondContact CG-OE1 3.11Å; R511-E515 WeakPolarHBondContact O-CB 3.47Å; R511-E515 WeakPolarHBondContact O-CG 3.38Å; R511-E515 PolarHBondContact O-N 3.34Å; E512-E515 PolarHBondContact O-N 3.35Å; E515-L518 PolarHBondContact O-N 3.3Å; E515-Q519 WeakPolarHBondContact O-CG 3.48Å; E515-Q519 PolarHBondContact O-N 3.48Å
516	A	89.7	Confident	89.3	Confident	55 Å²	55	73.8 Å²	73.8	46%	0.455	35%	0.348	S	S	.	.	H	α-helix	trans	-61.1	-48	173.4	0	0	0	0	0	111.9	E512 V514 L518 Q519	E512-A516 WeakPolarHBondContact O-CB 3.44Å; E512-A516 PolarHBondContact O-N 3.47Å; V514-A516 VanDerWaalsContact C-N 3.33Å; V514-A516 PolarHBondContact O-N 3.47Å; A516-L518 VanDerWaalsContact C-N 3.29Å; A516-L518 PolarHBondContact O-N 2.99Å; A516-Q519 PolarHBondContact O-N 2.91Å; A516-Q519 VanDerWaalsContact O-N 3.12Å
517	G	88.8	Confident	89.2	Confident	11 Å²	11	78.1 Å²	78.1	11%	0.113	37%	0.368	C	S	.	.	H	α-helix	trans	-63.5	-31.8	177.3	0	0	0	0	0	113.6	I513 V514 Q519	I513-G517 PolarHBondContact O-N 3.31Å; V514-G517 PolarHBondContact O-N 2.91Å; G517-Q519 VanDerWaalsContact C-N 3.31Å; G517-Q519 PolarHBondContact O-N 3.46Å
518	L	87.1	Confident	89.1	Confident	4 Å²	4	75.1 Å²	75.1	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-70.4	-24.7	175.3	-73.7	171.5	0	0	0	113.1	L475 R480 I482 V514 E515 A516 I523 W525	L475-L518 HydrophobicContact CD1-CD2 4.41Å; L475-L518 HydrophobicContact CD2-CD1 4.28Å; R480-L518 PolarHBondContact NE-O 3.16Å; R480-L518 PolarHBondContact NH2-O 3.48Å; I482-L518 HydrophobicContact CG1-CD1 4.32Å; V514-L518 HydrophobicContact CG1-CD1 3.98Å; V514-L518 HydrophobicContact CG1-CG 4.35Å; V514-L518 WeakPolarHBondContact O-CB 3.41Å; V514-L518 VanDerWaalsContact O-CG 3.26Å; V514-L518 WeakPolarHBondContact O-CG 3.36Å; V514-L518 PolarHBondContact O-N 3.28Å; E515-L518 PolarHBondContact O-N 3.3Å; A516-L518 VanDerWaalsContact C-N 3.29Å; A516-L518 PolarHBondContact O-N 2.99Å; L518-I523 HydrophobicContact CD2-CD1 3.95Å; L518-W525 HydrophobicContact CD2-CZ3 4.44Å
519	Q	86.3	Confident	89.1	Confident	164 Å²	164	72 Å²	72	77%	0.766	34%	0.338	S	S	*	.	H	α-helix	trans	-81.5	-15.6	178.9	-72	-176.4	11.2	0	0	113.9	E515 A516 G517	E515-Q519 WeakPolarHBondContact O-CG 3.48Å; E515-Q519 PolarHBondContact O-N 3.48Å; A516-Q519 PolarHBondContact O-N 2.91Å; A516-Q519 VanDerWaalsContact O-N 3.12Å; G517-Q519 VanDerWaalsContact C-N 3.31Å; G517-Q519 PolarHBondContact O-N 3.46Å
520	E	84	Confident	89.1	Confident	94 Å²	94	73.5 Å²	73.5	44%	0.439	35%	0.346	S	S	.	.	S	Bend	trans	-63.7	161.9	-179.2	-64.3	-155.8	169.4	0	0	113.1	R480 R522	R480-E520 PolarHBondContact NH1-O 3.5Å; R480-E520 PolarHBondContact NH2-O 2.95Å; E520-R522 PolarHBondContact O-N 3.28Å
521	K	75.8	Confident	89	Confident	219 Å²	219	76.3 Å²	76.3	95%	0.952	36%	0.361	S	S	*	.	S	Bend	trans	-65.6	-29.5	-180	-80.7	-176.1	178.7	177.2	0	113.3
522	R	83.2	Confident	88.9	Confident	182 Å²	182	71.6 Å²	71.6	69%	0.687	34%	0.344	S	S	*	.	S	Bend	trans	-132.8	124.2	180	-178.8	176	171.3	-178	-5.5	107.9	E520 E524	E520-R522 PolarHBondContact O-N 3.28Å; R522-E524 HydrophobicContact CG-CG 4.43Å; R522-E524 IonicContact CZ-OE1 3.73Å; R522-E524 IonicContact NE-OE1 3.19Å; R522-E524 PolarHBondContact NE-OE1 3.32Å; R522-E524 IonicContact NH1-OE1 3.15Å; R522-E524 IonicContact NH2-OE1 3.38Å; R522-E524 PolarHBondContact NH2-OE1 2.85Å; R522-E524 PolarHBondContact O-N 2.96Å
523	I	82.5	Confident	88.9	Confident	40 Å²	40	71.9 Å²	71.9	21%	0.205	34%	0.34	C	S	.	.			trans	-84	113.1	-179.9	-56.2	170.4	0	0	0	108.1	L518 W525 I528	L518-I523 HydrophobicContact CD2-CD1 3.95Å; I523-W525 HydrophobicContact CB-CH2 4.48Å; I523-W525 HydrophobicContact CG2-CD2 4.09Å; I523-W525 HydrophobicContact CG2-CE3 3.57Å; I523-W525 HydrophobicContact CG2-CH2 3.45Å; I523-W525 VanDerWaalsContact CG2-CH2 3.45Å; I523-W525 HydrophobicContact CG2-CZ2 3.99Å; I523-W525 HydrophobicContact CG2-CZ3 3.19Å; I523-I528 HydrophobicContact CG2-CD1 3.96Å
524	E	86.7	Confident	89	Confident	64 Å²	64	75.7 Å²	75.7	30%	0.299	36%	0.36	S	S	.	.			trans	-108.4	103.3	177	-75.5	-75.5	153.8	0	0	109.7	R522 S526 E527 I528	R522-E524 HydrophobicContact CG-CG 4.43Å; R522-E524 IonicContact CZ-OE1 3.73Å; R522-E524 IonicContact NE-OE1 3.19Å; R522-E524 PolarHBondContact NE-OE1 3.32Å; R522-E524 IonicContact NH1-OE1 3.15Å; R522-E524 IonicContact NH2-OE1 3.38Å; R522-E524 PolarHBondContact NH2-OE1 2.85Å; R522-E524 PolarHBondContact O-N 2.96Å; E524-S526 VanDerWaalsContact C-N 3.28Å; E524-S526 PolarHBondContact O-N 3.37Å; E524-E527 HydrophobicContact CB-CB 3.95Å; E524-E527 WeakPolarHBondContact O-CB 3.24Å; E524-E527 PolarHBondContact O-N 3.43Å; E524-I528 PolarHBondContact O-N 3.04Å; E524-I528 VanDerWaalsContact O-N 3.15Å
525	W	88	Confident	89.1	Confident	70 Å²	70	79 Å²	79	27%	0.265	38%	0.376	S	S	.	.	H	α-helix	trans	-60.8	-35.4	-175.1	-56.8	134.4	0	0	0	114	L475 P477 L518 I523 E527 I528 K529 I554 E556	L475-W525 HydrophobicContact CD1-CE3 4.04Å; L475-W525 HydrophobicContact CD1-CH2 3.69Å; L475-W525 HydrophobicContact CD1-CZ3 3.2Å; P477-W525 HydrophobicContact CG-CZ2 4.47Å; L518-W525 HydrophobicContact CD2-CZ3 4.44Å; I523-W525 HydrophobicContact CB-CH2 4.48Å; I523-W525 HydrophobicContact CG2-CD2 4.09Å; I523-W525 HydrophobicContact CG2-CE3 3.57Å; I523-W525 HydrophobicContact CG2-CH2 3.45Å; I523-W525 VanDerWaalsContact CG2-CH2 3.45Å; I523-W525 HydrophobicContact CG2-CZ2 3.99Å; I523-W525 HydrophobicContact CG2-CZ3 3.19Å; W525-E527 VanDerWaalsContact C-N 3.29Å; W525-E527 PolarHBondContact O-N 3.1Å; W525-I528 HydrophobicContact CE3-CD1 4.01Å; W525-I528 HydrophobicContact CZ3-CD1 4.1Å; W525-K529 WeakPolarHBondContact O-CB 3.45Å; W525-K529 WeakPolarHBondContact O-CG 3.36Å; W525-K529 PolarHBondContact O-N 3.13Å; W525-I554 HydrophobicContact CE3-CG2 4.33Å; W525-E556 HydrophobicContact CZ2-CG 4.26Å; W525-E556 WeakPolarHBondContact CZ2-OE1 3.42Å; W525-E556 PolarHBondContact NE1-OE1 3.15Å
526	S	90	Very high	89.2	Confident	80 Å²	80	75 Å²	75	56%	0.559	36%	0.357	S	S	*	.	H	α-helix	trans	-62.7	-37.9	176	42.6	0	0	0	0	111.8	E524 Q530	E524-S526 VanDerWaalsContact C-N 3.28Å; E524-S526 PolarHBondContact O-N 3.37Å; S526-Q530 WeakPolarHBondContact O-CB 3.23Å; S526-Q530 PolarHBondContact O-N 2.86Å
527	E	90.8	Very high	89.4	Confident	91 Å²	91	73.8 Å²	73.8	43%	0.425	35%	0.345	S	S	.	.	H	α-helix	trans	-71.5	-43.4	-180	-172.9	165.3	-166.7	0	0	111.2	E524 W525 K529 Q530 N531	E524-E527 HydrophobicContact CB-CB 3.95Å; E524-E527 WeakPolarHBondContact O-CB 3.24Å; E524-E527 PolarHBondContact O-N 3.43Å; W525-E527 VanDerWaalsContact C-N 3.29Å; W525-E527 PolarHBondContact O-N 3.1Å; E527-K529 PolarHBondContact O-N 3.43Å; E527-Q530 PolarHBondContact O-N 3.03Å; E527-N531 WeakPolarHBondContact O-CB 3.46Å; E527-N531 PolarHBondContact O-N 2.93Å; E527-N531 PolarHBondContact O-ND2 3.06Å
528	I	91.3	Very high	89.6	Confident	5 Å²	5	79.4 Å²	79.4	3%	0.026	37%	0.367	C	S	.	.	H	α-helix	trans	-59.7	-47.6	173.6	-61.2	177.6	0	0	0	110.5	V514 I523 E524 W525 Q530 N531 M532 I554	V514-I528 HydrophobicContact CG2-CG2 3.95Å; I523-I528 HydrophobicContact CG2-CD1 3.96Å; E524-I528 PolarHBondContact O-N 3.04Å; E524-I528 VanDerWaalsContact O-N 3.15Å; W525-I528 HydrophobicContact CE3-CD1 4.01Å; W525-I528 HydrophobicContact CZ3-CD1 4.1Å; I528-Q530 VanDerWaalsContact C-N 3.31Å; I528-Q530 PolarHBondContact O-N 3.39Å; I528-N531 PolarHBondContact O-N 2.73Å; I528-M532 HydrophobicContact CG2-CG 4.47Å; I528-M532 HydrophobicContact CG2-SD 4.17Å; I528-M532 WeakPolarHBondContact O-CB 3.48Å; I528-M532 VanDerWaalsContact O-CG 3.26Å; I528-M532 WeakPolarHBondContact O-CG 3.42Å; I528-M532 PolarHBondContact O-N 3.19Å; I528-I554 HydrophobicContact CB-CD1 4.14Å; I528-I554 HydrophobicContact CG2-CD1 3.74Å
529	K	93.2	Very high	89.8	Confident	74 Å²	74	80.1 Å²	80.1	32%	0.322	37%	0.37	S	S	.	.	H	α-helix	trans	-60.5	-39.7	177.2	-74.7	179.2	-177.6	179.1	0	112.1	W525 E527 R533 P552 I554	W525-K529 WeakPolarHBondContact O-CB 3.45Å; W525-K529 WeakPolarHBondContact O-CG 3.36Å; W525-K529 PolarHBondContact O-N 3.13Å; E527-K529 PolarHBondContact O-N 3.43Å; K529-R533 WeakPolarHBondContact O-CG 2.91Å; K529-R533 PolarHBondContact O-N 2.76Å; K529-R533 VanDerWaalsContact O-N 3.07Å; K529-P552 HydrophobicContact CB-CB 4.36Å; K529-P552 HydrophobicContact CB-CG 3.82Å; K529-P552 HydrophobicContact CG-CB 4.19Å; K529-P552 HydrophobicContact CG-CG 4.02Å; K529-I554 HydrophobicContact CG-CD1 3.71Å; K529-I554 HydrophobicContact CG-CG1 4.13Å
530	Q	93.3	Very high	90.1	Very high	87 Å²	87	72.3 Å²	72.3	41%	0.407	33%	0.334	S	S	.	.	H	α-helix	trans	-68.2	-46.2	178.6	-172.5	56.4	43.7	0	0	111.4	S526 E527 I528 M532 R533 D534	S526-Q530 WeakPolarHBondContact O-CB 3.23Å; S526-Q530 PolarHBondContact O-N 2.86Å; E527-Q530 PolarHBondContact O-N 3.03Å; I528-Q530 VanDerWaalsContact C-N 3.31Å; I528-Q530 PolarHBondContact O-N 3.39Å; Q530-M532 VanDerWaalsContact C-N 3.29Å; Q530-M532 PolarHBondContact O-N 3.27Å; Q530-R533 WeakPolarHBondContact O-CB 3.48Å; Q530-R533 PolarHBondContact O-N 3.3Å; Q530-D534 VanDerWaalsContact NE2-CG 3.29Å; Q530-D534 PolarHBondContact NE2-OD1 3.39Å; Q530-D534 PolarHBondContact O-N 2.6Å; Q530-D534 PolarHBondContact NE2-OD2 3.25Å
531	N	93	Very high	90.5	Very high	59 Å²	59	71.2 Å²	71.2	32%	0.316	33%	0.328	S	S	.	.	H	α-helix	trans	-59.9	-39.3	175.3	-75.6	-29.4	0	0	0	112.1	I513 E527 I528 D534 Q535	I513-N531 HydrophobicContact CG2-CB 3.7Å; E527-N531 WeakPolarHBondContact O-CB 3.46Å; E527-N531 PolarHBondContact O-N 2.93Å; E527-N531 PolarHBondContact O-ND2 3.06Å; I528-N531 PolarHBondContact O-N 2.73Å; N531-D534 PolarHBondContact O-N 3.44Å; N531-Q535 WeakPolarHBondContact O-CB 3.33Å; N531-Q535 PolarHBondContact O-N 3.44Å; N531-Q535 WeakPolarHBondContact O-CG 3.39Å
532	M	93.2	Very high	91.2	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-58.8	-48.1	171.7	-73.6	174.1	67.3	0	0	111.1	A471 V473 V510 I513 V514 I528 Q530 D534 I536 P552 I554	A471-M532 HydrophobicContact CB-CE 3.73Å; V473-M532 HydrophobicContact CG2-CE 4.26Å; V510-M532 HydrophobicContact CG1-CE 3.59Å; V510-M532 HydrophobicContact CG1-SD 4.38Å; V510-M532 HydrophobicContact CG2-CE 4.21Å; I513-M532 HydrophobicContact CG2-CG 3.94Å; V514-M532 HydrophobicContact CG2-SD 4.01Å; I528-M532 HydrophobicContact CG2-CG 4.47Å; I528-M532 HydrophobicContact CG2-SD 4.17Å; I528-M532 WeakPolarHBondContact O-CB 3.48Å; I528-M532 VanDerWaalsContact O-CG 3.26Å; I528-M532 WeakPolarHBondContact O-CG 3.42Å; I528-M532 PolarHBondContact O-N 3.19Å; Q530-M532 VanDerWaalsContact C-N 3.29Å; Q530-M532 PolarHBondContact O-N 3.27Å; M532-D534 PolarHBondContact O-N 2.95Å; M532-I536 WeakPolarHBondContact O-CB 3.48Å; M532-I536 WeakPolarHBondContact O-CG1 3.34Å; M532-I536 PolarHBondContact O-N 3.3Å; M532-P552 HydrophobicContact CB-CB 4.1Å; M532-P552 HydrophobicContact CE-CB 3.6Å; M532-P552 HydrophobicContact SD-CB 3.9Å; M532-I554 HydrophobicContact SD-CD1 4.37Å
533	R	94.4	Very high	91.4	Very high	115 Å²	115	60.6 Å²	60.6	43%	0.434	30%	0.297	S	S	.	.	H	α-helix	trans	-59.7	-49.3	178.3	-71.5	177.5	-167	-155.1	0.6	111.7	K529 Q530 S537 I550 P552	K529-R533 WeakPolarHBondContact O-CG 2.91Å; K529-R533 PolarHBondContact O-N 2.76Å; K529-R533 VanDerWaalsContact O-N 3.07Å; Q530-R533 WeakPolarHBondContact O-CB 3.48Å; Q530-R533 PolarHBondContact O-N 3.3Å; R533-S537 WeakPolarHBondContact O-CA 3.32Å; R533-S537 WeakPolarHBondContact O-CB 3.29Å; R533-S537 PolarHBondContact O-N 2.83Å; R533-I550 HydrophobicContact CG-CG2 4.31Å; R533-P552 HydrophobicContact CG-CG 3.96Å
534	D	94	Very high	91.6	Very high	87 Å²	87	60.5 Å²	60.5	47%	0.465	30%	0.298	S	S	.	.	H	α-helix	trans	-69.7	-46.4	-171.6	-66	-26.8	0	0	0	112.2	Q530 N531 M532 K538	Q530-D534 VanDerWaalsContact NE2-CG 3.29Å; Q530-D534 PolarHBondContact NE2-OD1 3.39Å; Q530-D534 PolarHBondContact O-N 2.6Å; Q530-D534 PolarHBondContact NE2-OD2 3.25Å; N531-D534 PolarHBondContact O-N 3.44Å; M532-D534 PolarHBondContact O-N 2.95Å; D534-K538 WeakPolarHBondContact O-CB 3.48Å; D534-K538 PolarHBondContact O-N 2.89Å
535	Q	94.4	Very high	91.8	Very high	71 Å²	71	64.1 Å²	64.1	33%	0.332	31%	0.313	S	S	.	.	H	α-helix	trans	-74.1	-39.6	-177.9	-65.2	-168.6	44.6	0	0	112.3	I513 N531 K538 L539	I513-Q535 HydrophobicContact CD1-CB 3.59Å; I513-Q535 HydrophobicContact CD1-CG 4.13Å; N531-Q535 WeakPolarHBondContact O-CB 3.33Å; N531-Q535 PolarHBondContact O-N 3.44Å; N531-Q535 WeakPolarHBondContact O-CG 3.39Å; Q535-K538 PolarHBondContact O-N 3.49Å; Q535-L539 WeakPolarHBondContact O-CB 3.26Å; Q535-L539 PolarHBondContact O-N 3.24Å
536	I	93.5	Very high	91.8	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-69.2	-39	175.3	-59.6	-62	0	0	0	110.3	F469 A506 K509 V510 M532 K538 L539 L540 I550	F469-I536 HydrophobicContact CD1-CG2 4.09Å; F469-I536 HydrophobicContact CE1-CG2 3.7Å; F469-I536 HydrophobicContact CZ-CG2 4.28Å; A506-I536 HydrophobicContact CB-CD1 4.35Å; K509-I536 HydrophobicContact CB-CD1 3.83Å; K509-I536 HydrophobicContact CG-CD1 3.98Å; V510-I536 HydrophobicContact CG2-CD1 3.63Å; V510-I536 HydrophobicContact CG2-CG1 3.85Å; M532-I536 WeakPolarHBondContact O-CB 3.48Å; M532-I536 WeakPolarHBondContact O-CG1 3.34Å; M532-I536 PolarHBondContact O-N 3.3Å; I536-K538 VanDerWaalsContact C-N 3.28Å; I536-K538 PolarHBondContact O-N 3.44Å; I536-L539 PolarHBondContact O-N 3.12Å; I536-L540 HydrophobicContact CG2-CG 3.93Å; I536-L540 PolarHBondContact O-N 3.45Å; I536-L540 WeakPolarHBondContact O-CG 3.2Å; I536-L540 VanDerWaalsContact O-CG 3.23Å; I536-L540 WeakPolarHBondContact O-CB 3.31Å; I536-L540 HydrophobicContact CG2-CD1 3.72Å; I536-I550 HydrophobicContact CB-CD1 4.12Å; I536-I550 HydrophobicContact CG2-CD1 3.89Å; I536-I550 HydrophobicContact CG2-CG1 4.46Å
537	S	92.9	Very high	91.8	Very high	30 Å²	30	68.2 Å²	68.2	21%	0.21	32%	0.316	C	S	.	.	H	α-helix	trans	-58.4	-43.3	174.4	179.6	0	0	0	0	111.5	R533 F541 I550	R533-S537 WeakPolarHBondContact O-CA 3.32Å; R533-S537 WeakPolarHBondContact O-CB 3.29Å; R533-S537 PolarHBondContact O-N 2.83Å; S537-F541 PolarHBondContact O-N 2.99Å; S537-F541 VanDerWaalsContact O-CB 3.24Å; S537-F541 WeakPolarHBondContact O-CB 3.35Å; S537-I550 VanDerWaalsContact N-CD1 3.26Å; S537-I550 VanDerWaalsContact CA-CD1 3.41Å
538	K	93.8	Very high	91.8	Very high	130 Å²	130	64.3 Å²	64.3	57%	0.565	30%	0.299	S	S	*	.	H	α-helix	trans	-63	-49.5	177.1	-174.7	178.1	174.5	-176	0	111.7	D534 Q535 I536 L540 F541 E542	D534-K538 WeakPolarHBondContact O-CB 3.48Å; D534-K538 PolarHBondContact O-N 2.89Å; Q535-K538 PolarHBondContact O-N 3.49Å; I536-K538 VanDerWaalsContact C-N 3.28Å; I536-K538 PolarHBondContact O-N 3.44Å; K538-L540 PolarHBondContact O-N 3.34Å; K538-F541 PolarHBondContact O-N 3.28Å; K538-E542 WeakPolarHBondContact CE-OE1 3.49Å; K538-E542 IonicContact NZ-OE1 3.63Å; K538-E542 WeakPolarHBondContact O-CB 3.49Å; K538-E542 WeakPolarHBondContact O-CG 3.33Å; K538-E542 PolarHBondContact O-N 3.33Å
539	L	92.4	Very high	91.9	Very high	18 Å²	18	66 Å²	66	9%	0.094	31%	0.307	C	S	.	.	H	α-helix	trans	-56.3	-52.4	178	176.5	66.4	0	0	0	111.5	E505 A506 K509 Q535 I536 F541 E542 S543	E505-L539 HydrophobicContact CG-CD1 4.1Å; E505-L539 HydrophobicContact CG-CD2 4.17Å; E505-L539 WeakPolarHBondContact OE1-CD1 3.32Å; A506-L539 HydrophobicContact CB-CD2 4.01Å; K509-L539 HydrophobicContact CB-CD2 4.24Å; Q535-L539 WeakPolarHBondContact O-CB 3.26Å; Q535-L539 PolarHBondContact O-N 3.24Å; I536-L539 PolarHBondContact O-N 3.12Å; L539-F541 VanDerWaalsContact C-N 3.33Å; L539-F541 PolarHBondContact O-N 2.9Å; L539-E542 PolarHBondContact O-N 2.87Å; L539-S543 PolarHBondContact O-N 3.29Å; L539-S543 VanDerWaalsContact O-N 3.12Å; L539-S543 PolarHBondContact O-OG 3.34Å
540	L	91.5	Very high	91.9	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-40	-178.6	-66.4	-176.3	0	0	0	111.6	F469 F493 L502 I536 K538 T544 P548 I550	F469-L540 HydrophobicContact CB-CD1 4.29Å; F469-L540 HydrophobicContact CD1-CD1 4.11Å; F469-L540 HydrophobicContact CD2-CD1 3.67Å; F469-L540 HydrophobicContact CE1-CD1 4.28Å; F469-L540 HydrophobicContact CE2-CD1 3.85Å; F469-L540 HydrophobicContact CE2-CD2 3.99Å; F469-L540 HydrophobicContact CG-CD1 3.77Å; F469-L540 HydrophobicContact CZ-CD1 4.12Å; F469-L540 HydrophobicContact CZ-CD2 4.28Å; F493-L540 HydrophobicContact CE1-CB 4.41Å; F493-L540 HydrophobicContact CE1-CD1 3.9Å; F493-L540 HydrophobicContact CE1-CD2 3.78Å; F493-L540 HydrophobicContact CE1-CG 4.23Å; F493-L540 HydrophobicContact CZ-CB 3.9Å; F493-L540 HydrophobicContact CZ-CD1 4.13Å; F493-L540 HydrophobicContact CZ-CD2 4.06Å; F493-L540 HydrophobicContact CZ-CG 4.24Å; L502-L540 HydrophobicContact CD1-CD2 4.15Å; L502-L540 HydrophobicContact CD2-CD2 4.09Å; L502-L540 HydrophobicContact CG-CD2 4.11Å; I536-L540 HydrophobicContact CG2-CG 3.93Å; I536-L540 PolarHBondContact O-N 3.45Å; I536-L540 WeakPolarHBondContact O-CG 3.2Å; I536-L540 VanDerWaalsContact O-CG 3.23Å; I536-L540 WeakPolarHBondContact O-CB 3.31Å; I536-L540 HydrophobicContact CG2-CD1 3.72Å; K538-L540 PolarHBondContact O-N 3.34Å; L540-T544 WeakPolarHBondContact O-CB 3.35Å; L540-T544 PolarHBondContact O-N 3.25Å; L540-T544 PolarHBondContact O-OG1 3.45Å; L540-P548 HydrophobicContact CD1-CG 3.58Å; L540-I550 HydrophobicContact CD1-CG1 4.42Å; L540-I550 HydrophobicContact CD1-CD1 4.25Å
541	F	91.6	Very high	91.9	Very high	72 Å²	72	62.3 Å²	62.3	32%	0.316	29%	0.293	S	S	.	.	H	α-helix	trans	-69.3	-36.5	177.4	-175.7	-102.1	0	0	0	112.7	S537 K538 L539 S543 K545 R547	S537-F541 PolarHBondContact O-N 2.99Å; S537-F541 VanDerWaalsContact O-CB 3.24Å; S537-F541 WeakPolarHBondContact O-CB 3.35Å; K538-F541 PolarHBondContact O-N 3.28Å; L539-F541 VanDerWaalsContact C-N 3.33Å; L539-F541 PolarHBondContact O-N 2.9Å; F541-S543 VanDerWaalsContact C-N 3.35Å; F541-K545 WeakPolarHBondContact CE2-O 3.44Å; F541-K545 HydrophobicContact CZ-CD 4.47Å; F541-K545 WeakPolarHBondContact O-CA 3.35Å; F541-K545 PolarHBondContact O-N 3.46Å; F541-R547 HydrophobicContact CG-CG 4.38Å; F541-R547 HydrophobicContact CE2-CG 4.24Å; F541-R547 HydrophobicContact CD2-CG 3.62Å
542	E	91.8	Very high	92	Very high	107 Å²	107	59.8 Å²	59.8	50%	0.5	28%	0.28	S	S	.	.	H	α-helix	trans	-63.2	-43.8	176.8	-77.8	174.5	179.8	0	0	111.2	K538 L539 K545	K538-E542 WeakPolarHBondContact CE-OE1 3.49Å; K538-E542 IonicContact NZ-OE1 3.63Å; K538-E542 WeakPolarHBondContact O-CB 3.49Å; K538-E542 WeakPolarHBondContact O-CG 3.33Å; K538-E542 PolarHBondContact O-N 3.33Å; L539-E542 PolarHBondContact O-N 2.87Å; E542-K545 PolarHBondContact O-NZ 3.31Å
543	S	87	Confident	92	Very high	70 Å²	70	62.3 Å²	62.3	49%	0.49	30%	0.295	S	S	.	.	H	α-helix	trans	-80.6	-33.1	-177.8	-57.6	0	0	0	0	114.3	L539 F541	L539-S543 PolarHBondContact O-N 3.29Å; L539-S543 VanDerWaalsContact O-N 3.12Å; L539-S543 PolarHBondContact O-OG 3.34Å; F541-S543 VanDerWaalsContact C-N 3.35Å
544	T	87.9	Confident	91.8	Very high	38 Å²	38	58 Å²	58	23%	0.233	28%	0.28	C	S	.	.	H	α-helix	trans	-118.9	-14.2	-171.2	71.5	0	0	0	0	115	F493 V494 L502 L540 R546	F493-T544 HydrophobicContact CE2-CG2 4.31Å; F493-T544 WeakPolarHBondContact CE2-OG1 3.42Å; F493-T544 HydrophobicContact CZ-CG2 3.73Å; F493-T544 WeakPolarHBondContact CZ-OG1 3.45Å; V494-T544 HydrophobicContact CG1-CG2 4.05Å; L502-T544 HydrophobicContact CD2-CG2 3.64Å; L540-T544 WeakPolarHBondContact O-CB 3.35Å; L540-T544 PolarHBondContact O-N 3.25Å; L540-T544 PolarHBondContact O-OG1 3.45Å; T544-R546 PolarHBondContact O-N 3.12Å; T544-R546 PolarHBondContact OG1-N 2.9Å
545	K	90.1	Very high	91.6	Very high	140 Å²	140	56.4 Å²	56.4	61%	0.609	28%	0.276	S	S	*	.	S	Bend	trans	57.3	18	-169.2	-55.2	-63.5	170.6	-152.5	0	114.9	F541 E542	F541-K545 WeakPolarHBondContact CE2-O 3.44Å; F541-K545 HydrophobicContact CZ-CD 4.47Å; F541-K545 WeakPolarHBondContact O-CA 3.35Å; F541-K545 PolarHBondContact O-N 3.46Å; E542-K545 PolarHBondContact O-NZ 3.31Å
546	R	87	Confident	91.3	Very high	87 Å²	87	58.2 Å²	58.2	33%	0.328	28%	0.284	S	S	.	.			trans	-116.6	159.1	176.5	-67.8	-179.2	74.3	-172.1	7.9	111.2	E465 D466 F493 T544	E465-R546 PolarHBondContact O-NH2 3.44Å; D466-R546 IonicContact OD1-NE 2.73Å; F493-R546 HydrophobicContact CD2-CB 4.33Å; F493-R546 HydrophobicContact CE2-CB 3.82Å; F493-R546 PolarHBondContact O-NH1 3Å; T544-R546 PolarHBondContact O-N 3.12Å; T544-R546 PolarHBondContact OG1-N 2.9Å
547	R	90	Very high	90.8	Very high	150 Å²	150	65.9 Å²	65.9	57%	0.566	32%	0.324	S	S	*	.			trans	-126.9	77.7	-175.8	-68.2	-169.4	176.7	-152	-0.6	111.5	D466 F541	D466-R547 VanDerWaalsContact CB-O 3.28Å; D466-R547 WeakPolarHBondContact CB-O 3.28Å; F541-R547 HydrophobicContact CG-CG 4.38Å; F541-R547 HydrophobicContact CE2-CG 4.24Å; F541-R547 HydrophobicContact CD2-CG 3.62Å
548	P	92.2	Very high	90.7	Very high	8 Å²	8	67.7 Å²	67.7	5%	0.052	33%	0.33	C	S	.	.			trans	-63.5	156	-180	29.4	-34.3	0	0	0	111.3	F469 F493 L540 I550	F469-P548 HydrophobicContact CB-CB 4.14Å; F469-P548 HydrophobicContact CB-CG 4.1Å; F493-P548 HydrophobicContact CB-CB 4.01Å; F493-P548 HydrophobicContact CD1-CB 4.26Å; F493-P548 HydrophobicContact CD1-CG 3.96Å; F493-P548 HydrophobicContact CD2-CB 3.61Å; F493-P548 HydrophobicContact CD2-CG 3.58Å; F493-P548 HydrophobicContact CE1-CG 4Å; F493-P548 HydrophobicContact CE2-CB 4.15Å; F493-P548 VanDerWaalsContact CE2-CD 3.45Å; F493-P548 HydrophobicContact CE2-CG 3.59Å; F493-P548 HydrophobicContact CG-CB 3.68Å; F493-P548 HydrophobicContact CG-CG 3.78Å; F493-P548 HydrophobicContact CZ-CG 3.82Å; L540-P548 HydrophobicContact CD1-CG 3.58Å; P548-I550 PolarHBondContact O-N 3.23Å; P548-I550 VanDerWaalsContact O-N 3.16Å
549	M	92.1	Very high	90.6	Very high	42 Å²	42	64.4 Å²	64.4	21%	0.207	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	113.6	168.6	-175.6	-178.4	-75	0	0	109.3	D459 L462 L463 G467 I468 F469 I551	D459-M549 HydrophobicContact CB-CE 3.98Å; L462-M549 HydrophobicContact CB-CE 3.92Å; L462-M549 HydrophobicContact CD1-CE 3.99Å; L463-M549 HydrophobicContact CD2-CB 4.46Å; L463-M549 HydrophobicContact CD2-SD 4.15Å; L463-M549 HydrophobicContact CG-CE 4.41Å; L463-M549 HydrophobicContact CG-SD 4.48Å; G467-M549 PolarHBondContact O-N 3.39Å; I468-M549 WeakPolarHBondContact CA-O 3.44Å; I468-M549 WeakPolarHBondContact CG1-O 3.35Å; F469-M549 PolarHBondContact N-O 2.9Å; M549-I551 HydrophobicContact CG-CG1 4.29Å; M549-I551 HydrophobicContact SD-CD1 4.27Å
550	I	93.4	Very high	90.4	Very high	18 Å²	18	67 Å²	67	9%	0.092	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	119.8	-179.7	-63.3	162	0	0	0	110.5	F469 R533 I536 S537 L540 P548 P552	F469-I550 HydrophobicContact CB-CG1 4.17Å; F469-I550 HydrophobicContact CD1-CG1 4.48Å; F469-I550 CarbonylContact O-C 3.51Å; F469-I550 VanDerWaalsContact O-CA 3.27Å; F469-I550 WeakPolarHBondContact O-CA 3.49Å; R533-I550 HydrophobicContact CG-CG2 4.31Å; I536-I550 HydrophobicContact CB-CD1 4.12Å; I536-I550 HydrophobicContact CG2-CD1 3.89Å; I536-I550 HydrophobicContact CG2-CG1 4.46Å; S537-I550 VanDerWaalsContact N-CD1 3.26Å; S537-I550 VanDerWaalsContact CA-CD1 3.41Å; L540-I550 HydrophobicContact CD1-CG1 4.42Å; L540-I550 HydrophobicContact CD1-CD1 4.25Å; P548-I550 PolarHBondContact O-N 3.23Å; P548-I550 VanDerWaalsContact O-N 3.16Å; I550-P552 WeakPolarHBondContact O-CD 3.38Å
551	I	94.2	Very high	90.4	Very high	64 Å²	64	70.9 Å²	70.9	33%	0.328	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	100.2	177.3	-53.8	-167.1	0	0	0	109.9	I468 F469 I470 A471 M549 V553	I468-I551 HydrophobicContact CD1-CD1 3.62Å; I468-I551 HydrophobicContact CD1-CG1 4.16Å; I468-I551 HydrophobicContact CG1-CD1 4.43Å; I468-I551 HydrophobicContact CG1-CG1 4.46Å; F469-I551 PolarHBondContact O-N 2.93Å; I470-I551 WeakPolarHBondContact CA-O 3.43Å; I470-I551 HydrophobicContact CG1-CB 4.49Å; A471-I551 PolarHBondContact N-O 2.9Å; M549-I551 HydrophobicContact CG-CG1 4.29Å; M549-I551 HydrophobicContact SD-CD1 4.27Å; I551-V553 HydrophobicContact CG2-CG2 4.13Å
552	P	93.9	Very high	90.3	Very high	6 Å²	6	70.9 Å²	70.9	4%	0.039	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121	172.9	32.7	-34.5	0	0	0	110.7	A471 K529 M532 R533 I550	A471-P552 WeakPolarHBondContact O-CA 3.41Å; K529-P552 HydrophobicContact CB-CB 4.36Å; K529-P552 HydrophobicContact CB-CG 3.82Å; K529-P552 HydrophobicContact CG-CB 4.19Å; K529-P552 HydrophobicContact CG-CG 4.02Å; M532-P552 HydrophobicContact CB-CB 4.1Å; M532-P552 HydrophobicContact CE-CB 3.6Å; M532-P552 HydrophobicContact SD-CB 3.9Å; R533-P552 HydrophobicContact CG-CG 3.96Å; I550-P552 WeakPolarHBondContact O-CD 3.38Å
553	V	93.8	Very high	90.2	Very high	54 Å²	54	68.5 Å²	68.5	33%	0.327	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.6	177.2	-173.6	0	0	0	0	108.6	I470 A471 V472 V473 I551	I470-V553 HydrophobicContact CG2-CG2 4.07Å; A471-V553 PolarHBondContact O-N 2.72Å; V472-V553 CarbonylContact C-O 3.53Å; V472-V553 WeakPolarHBondContact CA-O 3.45Å; V472-V553 HydrophobicContact CG1-CB 4.36Å; V472-V553 HydrophobicContact CG1-CG1 4.47Å; V472-V553 HydrophobicContact CG2-CB 4.16Å; V472-V553 HydrophobicContact CG2-CG2 4.43Å; V473-V553 PolarHBondContact N-O 2.94Å; I551-V553 HydrophobicContact CG2-CG2 4.13Å
554	I	91.2	Very high	90.4	Very high	24 Å²	24	68.4 Å²	68.4	12%	0.123	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.8	176.2	-59.6	-178.9	0	0	0	107.5	V473 L475 W525 I528 K529 M532	V473-I554 WeakPolarHBondContact O-CA 3.46Å; L475-I554 HydrophobicContact CD1-CG2 3.36Å; L475-I554 HydrophobicContact CG-CG2 3.87Å; W525-I554 HydrophobicContact CE3-CG2 4.33Å; I528-I554 HydrophobicContact CB-CD1 4.14Å; I528-I554 HydrophobicContact CG2-CD1 3.74Å; K529-I554 HydrophobicContact CG-CD1 3.71Å; K529-I554 HydrophobicContact CG-CG1 4.13Å; M532-I554 HydrophobicContact SD-CD1 4.37Å
555	S	90.1	Very high	90.6	Very high	54 Å²	54	70.7 Å²	70.7	38%	0.378	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.8	174.8	-56.5	0	0	0	0	110.3	V473 T474 L475	V473-S555 PolarHBondContact O-N 2.98Å; T474-S555 CarbonylContact C-O 3.48Å; T474-S555 WeakPolarHBondContact CA-O 3.45Å; L475-S555 PolarHBondContact N-O 3.38Å
556	E	87.3	Confident	90.7	Very high	109 Å²	109	64.9 Å²	64.9	51%	0.509	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.9	177.7	-62.8	178	-156.6	0	0	110.5	L475 P477 W525	L475-E556 CarbonylContact O-C 3.55Å; L475-E556 WeakPolarHBondContact O-CA 3.34Å; P477-E556 HydrophobicContact CG-CB 4.02Å; P477-E556 HydrophobicContact CG-CG 3.79Å; P477-E556 WeakPolarHBondContact CG-OE2 3.43Å; W525-E556 HydrophobicContact CZ2-CG 4.26Å; W525-E556 WeakPolarHBondContact CZ2-OE1 3.42Å; W525-E556 PolarHBondContact NE1-OE1 3.15Å
557	I	83.2	Confident	91	Very high	163 Å²	163	62.9 Å²	62.9	84%	0.836	31%	0.314	S	S	*	.			trans	-122.4	0	173	79.3	165.2	0	0	0	113.3	T474 L475 A483	T474-I557 HydrophobicContact CG2-CG2 3.3Å; L475-I557 PolarHBondContact O-N 2.72Å; A483-I557 HydrophobicContact CB-CD1 3.74Å; A483-I557 HydrophobicContact CB-CG1 4.02Å

Retrieved 557 of 557 residues in 109.8 ms (Link to these results)

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