A0A3P9J1F2_ORYLA Loading...

MYND-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3P9J1F2, Species ORYLA (Oryzias latipes, Japanese rice fish), Gene n/a, Length 227 aa.

Structure Viewer

Loading PAE data...

(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	46.3	Very low	81.9	Confident	236 Å²	236	94.5 Å²	94.5	100%	1.163	48%	0.477	S	S	*	.				0	114.3	0	-78	174.9	-93.4	0	0	105.2
2	S	54.4	Low	82.4	Confident	119 Å²	119	88 Å²	88	83%	0.832	45%	0.451	S	S	*	.			trans	-61.2	135.5	175.1	46.4	0	0	0	0	108.6	F4	S2-F4 PolarHBondContact O-N 3.02Å; S2-F4 VanDerWaalsContact O-N 3.09Å
3	D	71.9	Confident	82.3	Confident	158 Å²	158	87.5 Å²	87.5	85%	0.845	44%	0.44	S	S	*	.			trans	-58.3	116.3	175.8	-69.6	-30.8	0	0	0	108.9	K5	D3-K5 PolarHBondContact O-N 2.96Å
4	F	75.8	Confident	82.3	Confident	132 Å²	132	81.5 Å²	81.5	58%	0.579	41%	0.41	S	S	*	.			trans	-80.4	108.8	178.3	-178.1	-103.5	0	0	0	108.4	S2 L6 L124	S2-F4 PolarHBondContact O-N 3.02Å; S2-F4 VanDerWaalsContact O-N 3.09Å; F4-L6 HydrophobicContact CD1-CD2 4.2Å; F4-L6 HydrophobicContact CE1-CD2 3.66Å; F4-L124 HydrophobicContact CE1-CD1 4.24Å; F4-L124 HydrophobicContact CZ-CD1 4.35Å
5	K	89.2	Confident	82	Confident	122 Å²	122	77.9 Å²	77.9	53%	0.53	40%	0.399	S	S	.	.			trans	-109.4	137.5	-178.8	-172.3	166.8	157.5	-144.2	0	110.5	D3 E25	D3-K5 PolarHBondContact O-N 2.96Å; K5-E25 VanDerWaalsContact CD-OE1 3.26Å; K5-E25 WeakPolarHBondContact CD-OE1 3.37Å; K5-E25 WeakPolarHBondContact CE-OE1 3.34Å; K5-E25 HydrophobicContact CG-CG 4.47Å; K5-E25 IonicContact NZ-OE1 2.89Å; K5-E25 PolarHBondContact NZ-OE1 2.97Å
6	L	92.8	Very high	81.4	Confident	43 Å²	43	75 Å²	75	23%	0.225	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.6	179.9	66.5	85.7	0	0	0	109.6	F4 I8 L22	F4-L6 HydrophobicContact CD1-CD2 4.2Å; F4-L6 HydrophobicContact CE1-CD2 3.66Å; L6-I8 HydrophobicContact CD1-CD1 4.33Å; L6-I8 HydrophobicContact CD1-CG1 3.66Å; L6-L22 HydrophobicContact CD1-CD2 3.85Å
7	G	95.1	Very high	81.4	Confident	7 Å²	7	71.9 Å²	71.9	7%	0.072	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.7	172.6	0	0	0	0	0	111.6	L22 I23	G7-L22 WeakPolarHBondContact O-CA 3.17Å; G7-I23 PolarHBondContact N-O 3.23Å; G7-I23 PolarHBondContact O-N 3.24Å
8	I	95.5	Very high	81.7	Confident	77 Å²	77	68.8 Å²	68.8	40%	0.395	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.6	166.8	-59.9	168.3	0	0	0	106.9	L6 Y20 T21 L22 A128 V132	L6-I8 HydrophobicContact CD1-CD1 4.33Å; L6-I8 HydrophobicContact CD1-CG1 3.66Å; I8-Y20 HydrophobicContact CG2-CD1 3.82Å; I8-Y20 HydrophobicContact CG2-CG 4.14Å; I8-T21 WeakPolarHBondContact CA-O 3.4Å; I8-L22 HydrophobicContact CB-CD2 4.48Å; I8-L22 HydrophobicContact CG1-CD2 3.68Å; I8-A128 HydrophobicContact CD1-CB 4.1Å; I8-V132 HydrophobicContact CD1-CG2 3.93Å; I8-V132 HydrophobicContact CG2-CG2 4.04Å
9	V	95.4	Very high	82.2	Confident	21 Å²	21	65.5 Å²	65.5	13%	0.127	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.8	-177.6	-177.7	0	0	0	0	109.9	Y20 T21 I23 V31 F36	V9-Y20 CarbonylContact O-C 3.59Å; V9-Y20 WeakPolarHBondContact O-CA 3.39Å; V9-T21 HydrophobicContact CB-CG2 3.7Å; V9-T21 HydrophobicContact CG1-CG2 4.44Å; V9-T21 HydrophobicContact CG2-CG2 4.5Å; V9-T21 PolarHBondContact N-O 3.2Å; V9-T21 PolarHBondContact O-N 3.24Å; V9-I23 HydrophobicContact CG2-CD1 3.65Å; V9-I23 HydrophobicContact CG2-CG1 4.22Å; V9-V31 HydrophobicContact CG1-CG1 4.4Å; V9-V31 HydrophobicContact CG2-CG1 4.01Å; V9-F36 HydrophobicContact CG1-CB 4.23Å; V9-F36 HydrophobicContact CG1-CD2 3.61Å; V9-F36 HydrophobicContact CG1-CE2 4.18Å; V9-F36 HydrophobicContact CG1-CG 4.03Å
10	R	93.1	Very high	82.8	Confident	117 Å²	117	63.7 Å²	63.7	44%	0.442	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.6	177.2	-173.3	179.9	-175	-88.2	6	110.5	T18 Y20 D135	R10-T18 HydrophobicContact CG-CG2 3.97Å; R10-Y20 HydrophobicContact CB-CD1 4.07Å; R10-Y20 HydrophobicContact CB-CE1 3.92Å; R10-Y20 HydrophobicContact CG-CD1 4.45Å; R10-Y20 HydrophobicContact CG-CE1 4.02Å; R10-D135 IonicContact CZ-OD2 2.81Å; R10-D135 VanDerWaalsContact CZ-OD2 3.29Å; R10-D135 IonicContact NE-OD2 3.51Å; R10-D135 PolarHBondContact NE-OD2 3.05Å; R10-D135 IonicContact NH2-OD2 3.75Å; R10-D135 PolarHBondContact NH2-OD2 3.44Å
11	L	91.8	Very high	83.5	Confident	8 Å²	8	60.7 Å²	60.7	4%	0.042	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-6.4	-178.9	-60.5	178.9	0	0	0	113.6	K19 T21 F36 E37 A38 A53 V94	L11-K19 HydrophobicContact CB-CB 3.9Å; L11-K19 HydrophobicContact CD1-CB 4.19Å; L11-K19 PolarHBondContact N-O 3.05Å; L11-T21 HydrophobicContact CD1-CG2 4.49Å; L11-T21 HydrophobicContact CD2-CG2 3.71Å; L11-T21 HydrophobicContact CG-CG2 4.18Å; L11-F36 HydrophobicContact CD2-CB 3.63Å; L11-E37 CarbonylContact O-C 3.57Å; L11-E37 WeakPolarHBondContact O-CA 3.41Å; L11-A38 HydrophobicContact CB-CB 3.74Å; L11-A38 HydrophobicContact CD1-CB 4.14Å; L11-A38 PolarHBondContact O-N 3.13Å; L11-A53 HydrophobicContact CD1-CB 3.73Å; L11-A53 HydrophobicContact CD2-CB 3.88Å; L11-A53 HydrophobicContact CG-CB 4.47Å; L11-V94 HydrophobicContact CD1-CG1 3.94Å
12	G	86.9	Confident	85.9	Confident	16 Å²	16	49.4 Å²	49.4	17%	0.165	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	88.8	-172.7	-174.4	0	0	0	0	0	113.9	K19	G12-K19 WeakPolarHBondContact O-CB 3.49Å; G12-K19 PolarHBondContact O-N 3.48Å
13	R	82	Confident	88	Confident	81 Å²	81	43.8 Å²	43.8	31%	0.306	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.8	-170.3	-165.5	178.5	-171	-161.9	6.1	111.9	G16 K17 S145	R13-G16 PolarHBondContact NE-O 3.18Å; R13-G16 VanDerWaalsContact NE-O 3.07Å; R13-G16 PolarHBondContact NH2-O 2.95Å; R13-K17 WeakPolarHBondContact CA-O 3.2Å; R13-S145 PolarHBondContact NH1-O 2.93Å
14	V	81.9	Confident	89.2	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.024	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	143.7	174.8	177.3	0	0	0	0	108.6	G16 K17 K19 A38 M40 I51 Y150	V14-G16 PolarHBondContact O-N 3.35Å; V14-G16 VanDerWaalsContact O-N 3.15Å; V14-K17 PolarHBondContact N-O 3.13Å; V14-K17 VanDerWaalsContact N-O 3.12Å; V14-K17 PolarHBondContact O-N 3.28Å; V14-K17 VanDerWaalsContact O-O 3.07Å; V14-K19 HydrophobicContact CB-CG 4.25Å; V14-K19 WeakPolarHBondContact O-CE 3.42Å; V14-A38 HydrophobicContact CB-CB 4.23Å; V14-A38 HydrophobicContact CG2-CB 3.56Å; V14-A38 WeakPolarHBondContact CG2-O 3.25Å; V14-M40 HydrophobicContact CG1-CB 4.14Å; V14-M40 HydrophobicContact CG1-CE 4.24Å; V14-I51 HydrophobicContact CB-CD1 4.38Å; V14-I51 HydrophobicContact CG1-CD1 3.79Å; V14-I51 HydrophobicContact CG1-CG1 4.08Å; V14-Y150 HydrophobicContact CG1-CE2 4.08Å; V14-Y150 HydrophobicContact CG2-CE2 4.41Å
15	A	77.2	Confident	90.2	Very high	28 Å²	28	35.8 Å²	35.8	23%	0.231	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	30.9	-177.9	0	0	0	0	0	114.2	M40 I51 E168	A15-M40 HydrophobicContact CB-CE 3.71Å; A15-I51 HydrophobicContact CB-CD1 3.96Å; A15-E168 HydrophobicContact CB-CB 3.88Å
16	G	73.4	Confident	90.5	Very high	31 Å²	31	35.3 Å²	35.3	32%	0.32	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	-2.8	174	0	0	0	0	0	116.2	R13 V14	R13-G16 PolarHBondContact NE-O 3.18Å; R13-G16 VanDerWaalsContact NE-O 3.07Å; R13-G16 PolarHBondContact NH2-O 2.95Å; V14-G16 PolarHBondContact O-N 3.35Å; V14-G16 VanDerWaalsContact O-N 3.15Å
17	K	81.6	Confident	90.7	Very high	23 Å²	23	33.3 Å²	33.3	10%	0.1	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	157.3	176.8	69.6	-176.3	-171	-161.4	0	114.1	R13 V14 K19 E168 C169 Y171 P172 C174	R13-K17 WeakPolarHBondContact CA-O 3.2Å; V14-K17 PolarHBondContact N-O 3.13Å; V14-K17 VanDerWaalsContact N-O 3.12Å; V14-K17 PolarHBondContact O-N 3.28Å; V14-K17 VanDerWaalsContact O-O 3.07Å; K17-K19 HydrophobicContact CG-CD 4.43Å; K17-E168 WeakPolarHBondContact CE-OE1 3.45Å; K17-E168 WeakPolarHBondContact CE-OE2 3.27Å; K17-E168 VanDerWaalsContact NZ-CD 3.29Å; K17-E168 IonicContact NZ-OE1 2.67Å; K17-E168 PolarHBondContact NZ-OE1 2.94Å; K17-E168 IonicContact NZ-OE2 3.32Å; K17-C169 PolarHBondContact NZ-O 3.36Å; K17-Y171 PolarHBondContact NZ-O 2.86Å; K17-P172 PolarHBondContact NZ-O 3.42Å; K17-C174 PolarHBondContact NZ-O 3.12Å
18	T	86.9	Confident	90.8	Very high	15 Å²	15	35.6 Å²	35.6	9%	0.092	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	137.9	173.9	-68.5	0	0	0	0	111.1	R10 Y20 E138	R10-T18 HydrophobicContact CG-CG2 3.97Å; T18-Y20 HydrophobicContact CG2-CD2 4.4Å; T18-Y20 HydrophobicContact CG2-CE1 4.3Å; T18-Y20 HydrophobicContact CG2-CE2 3.68Å; T18-E138 VanDerWaalsContact CB-OE1 3.24Å; T18-E138 WeakPolarHBondContact CB-OE1 3.14Å; T18-E138 PolarHBondContact N-OE1 2.86Å; T18-E138 PolarHBondContact OG1-OE1 3.39Å
19	K	90.7	Very high	90.8	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.4	-178.8	-60.7	-55.6	-171.1	145.5	0	110.6	L11 G12 V14 K17 A38 I51 E168	L11-K19 HydrophobicContact CB-CB 3.9Å; L11-K19 HydrophobicContact CD1-CB 4.19Å; L11-K19 PolarHBondContact N-O 3.05Å; G12-K19 WeakPolarHBondContact O-CB 3.49Å; G12-K19 PolarHBondContact O-N 3.48Å; V14-K19 HydrophobicContact CB-CG 4.25Å; V14-K19 WeakPolarHBondContact O-CE 3.42Å; K17-K19 HydrophobicContact CG-CD 4.43Å; K19-A38 HydrophobicContact CB-CB 3.84Å; K19-A38 HydrophobicContact CG-CB 3.95Å; K19-I51 HydrophobicContact CG-CG2 4.35Å; K19-I51 VanDerWaalsContact NZ-CD1 3.32Å; K19-E168 WeakPolarHBondContact CE-OE2 3.26Å; K19-E168 IonicContact NZ-OE1 3.7Å; K19-E168 PolarHBondContact NZ-OE1 2.99Å; K19-E168 IonicContact NZ-OE2 3.7Å; K19-E168 PolarHBondContact NZ-OE2 3.34Å
20	Y	94.9	Very high	90.9	Very high	30 Å²	30	35 Å²	35	12%	0.118	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.6	176.4	-60.9	-86.6	0	0	0	108.8	I8 V9 R10 T18 V94 Y125 I129 V132	I8-Y20 HydrophobicContact CG2-CD1 3.82Å; I8-Y20 HydrophobicContact CG2-CG 4.14Å; V9-Y20 CarbonylContact O-C 3.59Å; V9-Y20 WeakPolarHBondContact O-CA 3.39Å; R10-Y20 HydrophobicContact CB-CD1 4.07Å; R10-Y20 HydrophobicContact CB-CE1 3.92Å; R10-Y20 HydrophobicContact CG-CD1 4.45Å; R10-Y20 HydrophobicContact CG-CE1 4.02Å; T18-Y20 HydrophobicContact CG2-CD2 4.4Å; T18-Y20 HydrophobicContact CG2-CE1 4.3Å; T18-Y20 HydrophobicContact CG2-CE2 3.68Å; Y20-V94 WeakPolarHBondContact O-CB 3.31Å; Y20-Y125 WeakPolarHBondContact O-CE2 3.38Å; Y20-Y125 PolarHBondContact O-OH 3.27Å; Y20-I129 HydrophobicContact CD2-CD1 4.04Å; Y20-I129 HydrophobicContact CG-CD1 4.07Å; Y20-V132 HydrophobicContact CE1-CG1 4.12Å; Y20-V132 HydrophobicContact CE2-CG1 4.19Å
21	T	96.8	Very high	90.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	145.5	167.5	-179.5	0	0	0	0	110.1	I8 V9 L11 I23 A53 L68 V94 N96	I8-T21 WeakPolarHBondContact CA-O 3.4Å; V9-T21 HydrophobicContact CB-CG2 3.7Å; V9-T21 HydrophobicContact CG1-CG2 4.44Å; V9-T21 HydrophobicContact CG2-CG2 4.5Å; V9-T21 PolarHBondContact N-O 3.2Å; V9-T21 PolarHBondContact O-N 3.24Å; L11-T21 HydrophobicContact CD1-CG2 4.49Å; L11-T21 HydrophobicContact CD2-CG2 3.71Å; L11-T21 HydrophobicContact CG-CG2 4.18Å; T21-I23 HydrophobicContact CG2-CG2 4.47Å; T21-A53 HydrophobicContact CG2-CB 4.45Å; T21-L68 HydrophobicContact CG2-CD2 3.95Å; T21-V94 WeakPolarHBondContact CA-O 3.25Å; T21-V94 WeakPolarHBondContact CB-O 3.22Å; T21-V94 PolarHBondContact OG1-O 3.45Å; T21-N96 PolarHBondContact OG1-ND2 3.01Å
22	L	97.3	Very high	91.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	141.5	163.2	-59.7	-164.8	0	0	0	110.1	L6 G7 I8 V94 N96 R97 Y125 A128	L6-L22 HydrophobicContact CD1-CD2 3.85Å; G7-L22 WeakPolarHBondContact O-CA 3.17Å; I8-L22 HydrophobicContact CB-CD2 4.48Å; I8-L22 HydrophobicContact CG1-CD2 3.68Å; L22-V94 PolarHBondContact N-O 2.91Å; L22-N96 CarbonylContact O-C 3.55Å; L22-N96 WeakPolarHBondContact O-CA 3.46Å; L22-N96 WeakPolarHBondContact O-CB 3.4Å; L22-N96 PolarHBondContact O-N 2.95Å; L22-R97 HydrophobicContact CB-CG 4.04Å; L22-Y125 HydrophobicContact CD1-CD2 4.42Å; L22-Y125 HydrophobicContact CG-CD2 3.91Å; L22-A128 HydrophobicContact CD1-CB 4.15Å; L22-A128 HydrophobicContact CD2-CB 3.83Å
23	I	97.6	Very high	91.5	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	155.9	172.2	58	176.9	0	0	0	109.7	G7 V9 T21 D27 I28 L68 L72 N96	G7-I23 PolarHBondContact N-O 3.23Å; G7-I23 PolarHBondContact O-N 3.24Å; V9-I23 HydrophobicContact CG2-CD1 3.65Å; V9-I23 HydrophobicContact CG2-CG1 4.22Å; T21-I23 HydrophobicContact CG2-CG2 4.47Å; I23-D27 HydrophobicContact CB-CB 4.4Å; I23-I28 HydrophobicContact CD1-CG1 4.38Å; I23-L68 HydrophobicContact CG2-CD2 4.06Å; I23-L72 HydrophobicContact CG2-CD1 4.18Å; I23-N96 HydrophobicContact CG2-CB 4.4Å
24	D	97	Very high	92.1	Very high	29 Å²	29	41.7 Å²	41.7	16%	0.155	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	156.2	175.1	-64.1	-55.4	0	0	0	111.5	Q26 D27 I28 L98	D24-Q26 HydrophobicContact CB-CG 4.08Å; D24-Q26 PolarHBondContact O-N 2.96Å; D24-D27 PolarHBondContact O-N 3.24Å; D24-I28 PolarHBondContact O-N 3.45Å; D24-L98 WeakPolarHBondContact OD2-CB 3.45Å; D24-L98 WeakPolarHBondContact OD2-CG 3.46Å; D24-L98 PolarHBondContact OD2-N 3.28Å
25	E	96.1	Very high	92.7	Very high	93 Å²	93	43.7 Å²	43.7	44%	0.435	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-54.2	-41.2	-179.1	176.5	170.3	-153.1	0	0	112.9	K5 D27 I28	K5-E25 VanDerWaalsContact CD-OE1 3.26Å; K5-E25 WeakPolarHBondContact CD-OE1 3.37Å; K5-E25 WeakPolarHBondContact CE-OE1 3.34Å; K5-E25 HydrophobicContact CG-CG 4.47Å; K5-E25 IonicContact NZ-OE1 2.89Å; K5-E25 PolarHBondContact NZ-OE1 2.97Å; E25-D27 PolarHBondContact O-N 3.48Å; E25-D27 VanDerWaalsContact O-N 3.11Å; E25-I28 HydrophobicContact CB-CD1 4.43Å; E25-I28 HydrophobicContact CG-CD1 4.3Å; E25-I28 WeakPolarHBondContact O-CB 3.44Å; E25-I28 WeakPolarHBondContact O-CG1 3.48Å; E25-I28 PolarHBondContact O-N 3.41Å
26	Q	96	Very high	93.5	Very high	112 Å²	112	43.5 Å²	43.5	52%	0.523	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-62.7	-16.8	179.1	64.5	178.9	11.6	0	0	114.1	D24 H76	D24-Q26 HydrophobicContact CB-CG 4.08Å; D24-Q26 PolarHBondContact O-N 2.96Å; Q26-H76 PolarHBondContact NE2-CE1 3.23Å
27	D	97.3	Very high	94.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-104.6	-5.1	-178.2	-70.8	-54.5	0	0	0	113.7	I23 D24 E25 P29 L30 L72 K75 H76	I23-D27 HydrophobicContact CB-CB 4.4Å; D24-D27 PolarHBondContact O-N 3.24Å; E25-D27 PolarHBondContact O-N 3.48Å; E25-D27 VanDerWaalsContact O-N 3.11Å; D27-P29 VanDerWaalsContact C-N 3.29Å; D27-L30 HydrophobicContact CB-CD1 4.01Å; D27-L30 VanDerWaalsContact O-CB 3.25Å; D27-L30 WeakPolarHBondContact O-CB 3.29Å; D27-L30 VanDerWaalsContact O-CG 3.26Å; D27-L30 WeakPolarHBondContact O-CG 3.24Å; D27-L30 PolarHBondContact O-N 3.13Å; D27-L72 HydrophobicContact CB-CD2 3.84Å; D27-L72 VanDerWaalsContact CG-CD2 3.43Å; D27-K75 IonicContact OD1-NZ 2.86Å; D27-K75 PolarHBondContact OD1-NZ 3.19Å; D27-H76 IonicContact OD1-CD2 3.72Å; D27-H76 IonicContact OD1-CE1 3.41Å; D27-H76 IonicContact OD1-NE2 3Å; D27-H76 PolarHBondContact OD1-NE2 3Å; D27-H76 IonicContact OD2-CD2 2.63Å; D27-H76 IonicContact OD2-CE1 3.79Å; D27-H76 IonicContact OD2-NE2 2.6Å; D27-H76 PolarHBondContact OD2-NE2 2.93Å
28	I	96.4	Very high	94.9	Very high	55 Å²	55	44 Å²	44	28%	0.282	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-51	-42.5	173.9	-65.7	174.2	0	0	0	112.4	I23 D24 E25 L30 V31	I23-I28 HydrophobicContact CD1-CG1 4.38Å; D24-I28 PolarHBondContact O-N 3.45Å; E25-I28 HydrophobicContact CB-CD1 4.43Å; E25-I28 HydrophobicContact CG-CD1 4.3Å; E25-I28 WeakPolarHBondContact O-CB 3.44Å; E25-I28 WeakPolarHBondContact O-CG1 3.48Å; E25-I28 PolarHBondContact O-N 3.41Å; I28-L30 PolarHBondContact O-N 2.82Å; I28-V31 WeakPolarHBondContact O-CG1 3.45Å; I28-V31 VanDerWaalsContact O-CG2 3.29Å; I28-V31 WeakPolarHBondContact O-CG2 3.41Å; I28-V31 PolarHBondContact O-N 3.16Å
29	P	97.1	Very high	95	Very high	69 Å²	69	48.1 Å²	48.1	45%	0.448	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-60.7	-11.1	179.3	-25.3	36.1	0	0	0	115.3	D27 V31 E32	D27-P29 VanDerWaalsContact C-N 3.29Å; P29-V31 PolarHBondContact O-N 2.98Å; P29-E32 WeakPolarHBondContact O-CB 3.35Å; P29-E32 PolarHBondContact O-N 3.03Å; P29-E32 VanDerWaalsContact O-N 3.14Å
30	L	96	Very high	94.9	Very high	16 Å²	16	48.5 Å²	48.5	8%	0.084	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-59.1	-26.3	173.9	-68.9	175.1	0	0	0	112.6	D27 I28 E32 N33 Y34 F36 L71 L72	D27-L30 HydrophobicContact CB-CD1 4.01Å; D27-L30 VanDerWaalsContact O-CB 3.25Å; D27-L30 WeakPolarHBondContact O-CB 3.29Å; D27-L30 VanDerWaalsContact O-CG 3.26Å; D27-L30 WeakPolarHBondContact O-CG 3.24Å; D27-L30 PolarHBondContact O-N 3.13Å; I28-L30 PolarHBondContact O-N 2.82Å; L30-E32 PolarHBondContact O-N 3.15Å; L30-E32 VanDerWaalsContact O-N 3.12Å; L30-N33 PolarHBondContact O-N 2.91Å; L30-N33 VanDerWaalsContact O-N 3.09Å; L30-Y34 HydrophobicContact CB-CD2 4.33Å; L30-Y34 HydrophobicContact CD2-CD2 4.03Å; L30-Y34 HydrophobicContact CD2-CE2 3.99Å; L30-Y34 WeakPolarHBondContact O-CB 3.26Å; L30-Y34 PolarHBondContact O-N 2.54Å; L30-F36 HydrophobicContact CB-CZ 3.96Å; L30-L71 HydrophobicContact CD1-CD2 3.92Å; L30-L72 HydrophobicContact CD1-CD2 3.54Å
31	V	95.1	Very high	94.5	Very high	69 Å²	69	50.4 Å²	50.4	42%	0.418	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-61	-18.3	176.9	-55.8	0	0	0	0	114.1	V9 I28 P29 F36	V9-V31 HydrophobicContact CG1-CG1 4.4Å; V9-V31 HydrophobicContact CG2-CG1 4.01Å; I28-V31 WeakPolarHBondContact O-CG1 3.45Å; I28-V31 VanDerWaalsContact O-CG2 3.29Å; I28-V31 WeakPolarHBondContact O-CG2 3.41Å; I28-V31 PolarHBondContact O-N 3.16Å; P29-V31 PolarHBondContact O-N 2.98Å; V31-F36 HydrophobicContact CB-CE2 4.34Å; V31-F36 HydrophobicContact CG1-CE2 3.81Å
32	E	95.3	Very high	93.8	Very high	143 Å²	143	51.7 Å²	51.7	67%	0.668	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-76.1	-28.4	177.5	-61.1	177.9	176.3	0	0	112.2	P29 L30	P29-E32 WeakPolarHBondContact O-CB 3.35Å; P29-E32 PolarHBondContact O-N 3.03Å; P29-E32 VanDerWaalsContact O-N 3.14Å; L30-E32 PolarHBondContact O-N 3.15Å; L30-E32 VanDerWaalsContact O-N 3.12Å
33	N	94.3	Very high	92.9	Very high	97 Å²	97	54 Å²	54	52%	0.519	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-12.4	-172.1	-61.6	-67.2	0	0	0	113.3	L30 I58	L30-N33 PolarHBondContact O-N 2.91Å; L30-N33 VanDerWaalsContact O-N 3.09Å; N33-I58 WeakPolarHBondContact O-CG1 2.96Å; N33-I58 PolarHBondContact O-N 2.82Å
34	Y	95.2	Very high	91.8	Very high	55 Å²	55	59.6 Å²	59.6	22%	0.216	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135	-178	-68	-92.3	0	0	0	111.6	L30 F36 A55 F56 D57 L71	L30-Y34 HydrophobicContact CB-CD2 4.33Å; L30-Y34 HydrophobicContact CD2-CD2 4.03Å; L30-Y34 HydrophobicContact CD2-CE2 3.99Å; L30-Y34 WeakPolarHBondContact O-CB 3.26Å; L30-Y34 PolarHBondContact O-N 2.54Å; Y34-F36 WeakPolarHBondContact O-CE2 3.49Å; Y34-A55 HydrophobicContact CD1-CB 3.81Å; Y34-A55 HydrophobicContact CG-CB 4.33Å; Y34-F56 CarbonylContact C-O 3.6Å; Y34-F56 VanDerWaalsContact CA-O 3.28Å; Y34-F56 WeakPolarHBondContact CA-O 3.41Å; Y34-D57 HydrophobicContact CD1-CB 4.27Å; Y34-D57 HydrophobicContact CE1-CB 3.84Å; Y34-L71 HydrophobicContact CD1-CD1 4.3Å; Y34-L71 HydrophobicContact CE1-CD1 3.59Å
35	A	93.9	Very high	90.6	Very high	46 Å²	46	63.1 Å²	63.1	38%	0.38	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	145	159.5	0	0	0	0	0	109.3	A55 F56 I58	A35-A55 CarbonylContact O-C 3.48Å; A35-A55 WeakPolarHBondContact O-CA 3.5Å; A35-F56 HydrophobicContact CB-CB 4.42Å; A35-F56 PolarHBondContact N-O 3.37Å; A35-F56 PolarHBondContact O-N 2.95Å; A35-I58 HydrophobicContact CB-CG1 4.44Å
36	F	94.9	Very high	89.4	Confident	24 Å²	24	60.5 Å²	60.5	11%	0.105	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.5	-179.5	-58	-88.7	0	0	0	111.6	V9 L11 L30 V31 Y34 Y54 A55 L68	V9-F36 HydrophobicContact CG1-CB 4.23Å; V9-F36 HydrophobicContact CG1-CD2 3.61Å; V9-F36 HydrophobicContact CG1-CE2 4.18Å; V9-F36 HydrophobicContact CG1-CG 4.03Å; L11-F36 HydrophobicContact CD2-CB 3.63Å; L30-F36 HydrophobicContact CB-CZ 3.96Å; V31-F36 HydrophobicContact CB-CE2 4.34Å; V31-F36 HydrophobicContact CG1-CE2 3.81Å; Y34-F36 WeakPolarHBondContact O-CE2 3.49Å; F36-Y54 VanDerWaalsContact CA-O 3.28Å; F36-Y54 WeakPolarHBondContact CA-O 3.34Å; F36-A55 HydrophobicContact CD1-CB 3.98Å; F36-A55 HydrophobicContact CE1-CB 3.87Å; F36-L68 HydrophobicContact CD1-CD1 4.38Å; F36-L68 HydrophobicContact CD1-CD2 4.01Å; F36-L68 HydrophobicContact CE1-CD1 3.74Å; F36-L68 HydrophobicContact CE1-CD2 3.96Å; F36-L68 HydrophobicContact CE1-CG 4.46Å
37	E	93	Very high	88.1	Confident	62 Å²	62	59.4 Å²	59.4	29%	0.29	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.5	176.5	-54.2	-171.3	165.7	0	0	111.2	L11 Y54 F56	L11-E37 CarbonylContact O-C 3.57Å; L11-E37 WeakPolarHBondContact O-CA 3.41Å; E37-Y54 PolarHBondContact N-O 3.34Å; E37-Y54 PolarHBondContact O-N 3.1Å; E37-F56 HydrophobicContact CB-CE2 3.83Å; E37-F56 HydrophobicContact CG-CD2 4.19Å; E37-F56 HydrophobicContact CG-CE2 3.9Å
38	A	91.5	Very high	87	Confident	3 Å²	3	59.6 Å²	59.6	3%	0.025	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	134.4	171	0	0	0	0	0	109.5	L11 V14 K19 I51 F52	L11-A38 HydrophobicContact CB-CB 3.74Å; L11-A38 HydrophobicContact CD1-CB 4.14Å; L11-A38 PolarHBondContact O-N 3.13Å; V14-A38 HydrophobicContact CB-CB 4.23Å; V14-A38 HydrophobicContact CG2-CB 3.56Å; V14-A38 WeakPolarHBondContact CG2-O 3.25Å; K19-A38 HydrophobicContact CB-CB 3.84Å; K19-A38 HydrophobicContact CG-CB 3.95Å; A38-I51 HydrophobicContact CB-CG2 3.87Å; A38-F52 WeakPolarHBondContact CA-O 3.35Å
39	R	89.4	Confident	86.5	Confident	101 Å²	101	57.5 Å²	57.5	38%	0.381	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	138	171.1	-68.2	-163.9	172.6	-166.6	-1.9	110.7	I51 F52 Y54	R39-I51 CarbonylContact O-C 3.58Å; R39-I51 VanDerWaalsContact O-CA 3.28Å; R39-I51 WeakPolarHBondContact O-CA 3.28Å; R39-F52 PolarHBondContact N-O 2.87Å; R39-F52 PolarHBondContact O-N 3.37Å; R39-Y54 HydrophobicContact CB-CD2 3.68Å; R39-Y54 HydrophobicContact CB-CE2 3.75Å; R39-Y54 HydrophobicContact CB-CG 4.39Å; R39-Y54 HydrophobicContact CG-CD1 4.5Å; R39-Y54 HydrophobicContact CG-CD2 3.74Å; R39-Y54 HydrophobicContact CG-CE2 4.14Å; R39-Y54 HydrophobicContact CG-CG 3.95Å
40	M	87	Confident	86.1	Confident	13 Å²	13	58.8 Å²	58.8	6%	0.064	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.2	171.3	-178.6	176.5	-75.9	0	0	108.7	V14 A15 A49 K50 I51 Y150 Y166 I177	V14-M40 HydrophobicContact CG1-CB 4.14Å; V14-M40 HydrophobicContact CG1-CE 4.24Å; A15-M40 HydrophobicContact CB-CE 3.71Å; M40-A49 HydrophobicContact CG-CB 3.96Å; M40-A49 HydrophobicContact SD-CB 4.13Å; M40-K50 CarbonylContact C-O 3.55Å; M40-K50 WeakPolarHBondContact CA-O 3.26Å; M40-I51 HydrophobicContact CB-CG1 4.41Å; M40-I51 HydrophobicContact CE-CD1 4.25Å; M40-I51 HydrophobicContact CE-CG1 4.35Å; M40-Y150 HydrophobicContact CB-CD2 4.42Å; M40-Y166 HydrophobicContact SD-CD2 4.13Å; M40-Y166 HydrophobicContact SD-CG 4.47Å; M40-I177 HydrophobicContact CE-CD1 4.47Å
41	E	87.1	Confident	85.8	Confident	70 Å²	70	58.3 Å²	58.3	33%	0.327	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.8	172.1	-68.6	179.9	-158.6	0	0	108.2	A49 K50 F52 Y54	E41-A49 CarbonylContact O-C 3.57Å; E41-A49 WeakPolarHBondContact O-CA 3.43Å; E41-K50 PolarHBondContact N-O 3.08Å; E41-K50 PolarHBondContact O-N 3.1Å; E41-F52 HydrophobicContact CB-CD2 4.13Å; E41-F52 HydrophobicContact CB-CE2 4.17Å; E41-F52 HydrophobicContact CG-CD2 4Å; E41-F52 HydrophobicContact CG-CE2 4.4Å; E41-F52 WeakPolarHBondContact OE2-CE2 3.5Å; E41-Y54 WeakPolarHBondContact OE1-CE2 3.2Å; E41-Y54 PolarHBondContact OE1-OH 2.85Å
42	V	82.3	Confident	85.8	Confident	28 Å²	28	56.2 Å²	56.2	17%	0.17	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.2	179.4	178.5	0	0	0	0	108.1	A49 A152 Y166	V42-A49 HydrophobicContact CG2-CB 4.31Å; V42-A152 WeakPolarHBondContact CB-O 3.39Å; V42-Y166 HydrophobicContact CB-CE2 4.24Å; V42-Y166 HydrophobicContact CG1-CE2 3.7Å; V42-Y166 WeakPolarHBondContact CG1-OH 3.43Å; V42-Y166 HydrophobicContact CG2-CD2 4.07Å; V42-Y166 HydrophobicContact CG2-CE2 3.51Å
43	D	78.8	Confident	85.9	Confident	47 Å²	47	49.4 Å²	49.4	25%	0.251	28%	0.277	S	S	.	.			trans	-59.8	141.9	176.2	-68	-31.5	0	0	0	108.9	D45 G46 G48 K50	D43-D45 VanDerWaalsContact CB-OD1 3.28Å; D43-D45 WeakPolarHBondContact CB-OD1 3.29Å; D43-D45 PolarHBondContact O-N 2.75Å; D43-G46 WeakPolarHBondContact O-CA 3.47Å; D43-G46 PolarHBondContact O-N 3.28Å; D43-G48 PolarHBondContact N-O 2.85Å; D43-G48 WeakPolarHBondContact OD2-CA 3.43Å; D43-K50 IonicContact OD1-NZ 3.75Å
44	A	75.1	Confident	86	Confident	119 Å²	119	46.2 Å²	46.2	98%	0.983	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20	-172.9	0	0	0	0	0	114.3
45	D	71.8	Confident	86	Confident	104 Å²	104	43.6 Å²	43.6	56%	0.556	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.3	175.9	69.1	-14.7	0	0	0	113.5	D43 N47	D43-D45 VanDerWaalsContact CB-OD1 3.28Å; D43-D45 WeakPolarHBondContact CB-OD1 3.29Å; D43-D45 PolarHBondContact O-N 2.75Å; D45-N47 PolarHBondContact O-N 2.67Å; D45-N47 PolarHBondContact O-ND2 3.32Å; D45-N47 PolarHBondContact OD1-N 3.03Å; D45-N47 WeakPolarHBondContact OD2-CB 3.4Å; D45-N47 PolarHBondContact OD2-ND2 3.43Å
46	G	69.1	Low	86	Confident	38 Å²	38	42 Å²	42	39%	0.392	23%	0.233	S	C	.	.	S	Bend	trans	69.8	11.3	-177.5	0	0	0	0	0	114.6	D43 Y166	D43-G46 WeakPolarHBondContact O-CA 3.47Å; D43-G46 PolarHBondContact O-N 3.28Å; G46-Y166 PolarHBondContact O-OH 3.44Å
47	N	69	Low	85.9	Confident	88 Å²	88	42.3 Å²	42.3	47%	0.471	24%	0.235	S	C	.	.	S	Bend	trans	-97.8	14.1	-175.7	-63.7	-52.5	0	0	0	113.7	D45 R179	D45-N47 PolarHBondContact O-N 2.67Å; D45-N47 PolarHBondContact O-ND2 3.32Å; D45-N47 PolarHBondContact OD1-N 3.03Å; D45-N47 WeakPolarHBondContact OD2-CB 3.4Å; D45-N47 PolarHBondContact OD2-ND2 3.43Å; N47-R179 PolarHBondContact O-NE 3.35Å
48	G	75.7	Confident	85.8	Confident	4 Å²	4	44.4 Å²	44.4	4%	0.041	25%	0.247	C	C	.	.			trans	-177.2	163	-179.4	0	0	0	0	0	112.5	D43	D43-G48 PolarHBondContact N-O 2.85Å; D43-G48 WeakPolarHBondContact OD2-CA 3.43Å
49	A	84.8	Confident	85.6	Confident	12 Å²	12	47.8 Å²	47.8	10%	0.099	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.1	167.4	0	0	0	0	0	109.2	M40 E41 V42 Y166 I177	M40-A49 HydrophobicContact CG-CB 3.96Å; M40-A49 HydrophobicContact SD-CB 4.13Å; E41-A49 CarbonylContact O-C 3.57Å; E41-A49 WeakPolarHBondContact O-CA 3.43Å; V42-A49 HydrophobicContact CG2-CB 4.31Å; A49-Y166 HydrophobicContact CB-CD1 3.79Å; A49-Y166 HydrophobicContact CB-CD2 3.88Å; A49-Y166 HydrophobicContact CB-CE1 4.11Å; A49-Y166 HydrophobicContact CB-CE2 4.19Å; A49-Y166 HydrophobicContact CB-CG 3.68Å; A49-I177 HydrophobicContact CB-CD1 4.46Å; A49-I177 HydrophobicContact CB-CG2 4.32Å; A49-I177 WeakPolarHBondContact O-CD1 3.06Å
50	K	88.1	Confident	85.5	Confident	96 Å²	96	48.8 Å²	48.8	42%	0.417	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	153.5	174.8	-69.1	168.8	-168.9	153.5	0	108.9	M40 E41 D43 F52 T93	M40-K50 CarbonylContact C-O 3.55Å; M40-K50 WeakPolarHBondContact CA-O 3.26Å; E41-K50 PolarHBondContact N-O 3.08Å; E41-K50 PolarHBondContact O-N 3.1Å; D43-K50 IonicContact OD1-NZ 3.75Å; K50-F52 HydrophobicContact CB-CD2 4.17Å; K50-F52 HydrophobicContact CB-CE2 3.57Å; K50-F52 HydrophobicContact CB-CZ 4.15Å; K50-F52 HydrophobicContact CD-CE2 4.2Å; K50-F52 HydrophobicContact CD-CZ 4.09Å; K50-T93 HydrophobicContact CB-CG2 4.29Å; K50-T93 HydrophobicContact CD-CG2 4.18Å; K50-T93 HydrophobicContact CG-CG2 4.43Å
51	I	90.9	Very high	84.9	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.8	176.5	-65.7	169	0	0	0	107.9	V14 A15 K19 A38 R39 M40 T93 V94 I177	V14-I51 HydrophobicContact CB-CD1 4.38Å; V14-I51 HydrophobicContact CG1-CD1 3.79Å; V14-I51 HydrophobicContact CG1-CG1 4.08Å; A15-I51 HydrophobicContact CB-CD1 3.96Å; K19-I51 HydrophobicContact CG-CG2 4.35Å; K19-I51 VanDerWaalsContact NZ-CD1 3.32Å; A38-I51 HydrophobicContact CB-CG2 3.87Å; R39-I51 CarbonylContact O-C 3.58Å; R39-I51 VanDerWaalsContact O-CA 3.28Å; R39-I51 WeakPolarHBondContact O-CA 3.28Å; M40-I51 HydrophobicContact CB-CG1 4.41Å; M40-I51 HydrophobicContact CE-CD1 4.25Å; M40-I51 HydrophobicContact CE-CG1 4.35Å; I51-T93 WeakPolarHBondContact O-CB 3.25Å; I51-T93 PolarHBondContact O-OG1 2.86Å; I51-V94 HydrophobicContact CG2-CG1 4.46Å; I51-V94 WeakPolarHBondContact O-CG1 3.47Å; I51-I177 HydrophobicContact CD1-CD1 3.81Å; I51-I177 HydrophobicContact CG1-CD1 3.87Å
52	F	94.9	Very high	84.2	Confident	24 Å²	24	56.4 Å²	56.4	11%	0.105	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	152.1	179.3	-70	-87.4	0	0	0	110.8	A38 R39 E41 K50 Y54 H69 T93	A38-F52 WeakPolarHBondContact CA-O 3.35Å; R39-F52 PolarHBondContact N-O 2.87Å; R39-F52 PolarHBondContact O-N 3.37Å; E41-F52 HydrophobicContact CB-CD2 4.13Å; E41-F52 HydrophobicContact CB-CE2 4.17Å; E41-F52 HydrophobicContact CG-CD2 4Å; E41-F52 HydrophobicContact CG-CE2 4.4Å; E41-F52 WeakPolarHBondContact OE2-CE2 3.5Å; K50-F52 HydrophobicContact CB-CD2 4.17Å; K50-F52 HydrophobicContact CB-CE2 3.57Å; K50-F52 HydrophobicContact CB-CZ 4.15Å; K50-F52 HydrophobicContact CD-CE2 4.2Å; K50-F52 HydrophobicContact CD-CZ 4.09Å; F52-Y54 HydrophobicContact CB-CD2 4.21Å; F52-Y54 HydrophobicContact CB-CE2 3.93Å; F52-H69 AromaticContact CD1-CE1 3.82Å; F52-T93 HydrophobicContact CD1-CG2 4.06Å; F52-T93 HydrophobicContact CE1-CG2 3.45Å; F52-T93 VanDerWaalsContact CE1-CG2 3.45Å; F52-T93 HydrophobicContact CE2-CG2 4.37Å; F52-T93 HydrophobicContact CZ-CG2 3.65Å
53	A	97.1	Very high	83.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.2	166.3	0	0	0	0	0	109.5	L11 T21 L68 N96	L11-A53 HydrophobicContact CD1-CB 3.73Å; L11-A53 HydrophobicContact CD2-CB 3.88Å; L11-A53 HydrophobicContact CG-CB 4.47Å; T21-A53 HydrophobicContact CG2-CB 4.45Å; A53-L68 HydrophobicContact CB-CB 3.92Å; A53-L68 HydrophobicContact CB-CD2 3.87Å; A53-L68 VanDerWaalsContact O-CB 3.31Å; A53-L68 WeakPolarHBondContact O-CB 3.42Å; A53-L68 PolarHBondContact O-N 3.31Å; A53-N96 WeakPolarHBondContact CB-ND2 3.44Å
54	Y	95.8	Very high	83.9	Confident	31 Å²	31	64.3 Å²	64.3	12%	0.122	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	144.3	173.1	-86.2	-114.8	0	0	0	109.8	F36 E37 R39 E41 F52 R66 P67	F36-Y54 VanDerWaalsContact CA-O 3.28Å; F36-Y54 WeakPolarHBondContact CA-O 3.34Å; E37-Y54 PolarHBondContact N-O 3.34Å; E37-Y54 PolarHBondContact O-N 3.1Å; R39-Y54 HydrophobicContact CB-CD2 3.68Å; R39-Y54 HydrophobicContact CB-CE2 3.75Å; R39-Y54 HydrophobicContact CB-CG 4.39Å; R39-Y54 HydrophobicContact CG-CD1 4.5Å; R39-Y54 HydrophobicContact CG-CD2 3.74Å; R39-Y54 HydrophobicContact CG-CE2 4.14Å; R39-Y54 HydrophobicContact CG-CG 3.95Å; E41-Y54 WeakPolarHBondContact OE1-CE2 3.2Å; E41-Y54 PolarHBondContact OE1-OH 2.85Å; F52-Y54 HydrophobicContact CB-CD2 4.21Å; F52-Y54 HydrophobicContact CB-CE2 3.93Å; Y54-R66 WeakPolarHBondContact CA-O 3.36Å; Y54-P67 HydrophobicContact CE1-CG 4.16Å; Y54-P67 HydrophobicContact CE2-CG 4.48Å
55	A	96.3	Very high	84.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134	174.6	0	0	0	0	0	109.9	Y34 A35 F36 G65 R66 L68 L71	Y34-A55 HydrophobicContact CD1-CB 3.81Å; Y34-A55 HydrophobicContact CG-CB 4.33Å; A35-A55 CarbonylContact O-C 3.48Å; A35-A55 WeakPolarHBondContact O-CA 3.5Å; F36-A55 HydrophobicContact CD1-CB 3.98Å; F36-A55 HydrophobicContact CE1-CB 3.87Å; A55-G65 WeakPolarHBondContact O-CA 3.39Å; A55-R66 PolarHBondContact N-O 3.09Å; A55-R66 PolarHBondContact O-N 3.34Å; A55-L68 HydrophobicContact CB-CD1 4.19Å; A55-L71 HydrophobicContact CB-CD1 4.34Å
56	F	94.1	Very high	85.6	Confident	13 Å²	13	58.5 Å²	58.5	6%	0.057	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.6	-179.4	-62.3	-96.2	0	0	0	108.9	Y34 A35 E37 I58 R62 G65	Y34-F56 CarbonylContact C-O 3.6Å; Y34-F56 VanDerWaalsContact CA-O 3.28Å; Y34-F56 WeakPolarHBondContact CA-O 3.41Å; A35-F56 HydrophobicContact CB-CB 4.42Å; A35-F56 PolarHBondContact N-O 3.37Å; A35-F56 PolarHBondContact O-N 2.95Å; E37-F56 HydrophobicContact CB-CE2 3.83Å; E37-F56 HydrophobicContact CG-CD2 4.19Å; E37-F56 HydrophobicContact CG-CE2 3.9Å; F56-I58 PolarHBondContact O-N 3.28Å; F56-R62 WeakPolarHBondContact CD1-O 3.17Å; F56-R62 WeakPolarHBondContact CE1-O 3.4Å; F56-G65 VanDerWaalsContact CE1-CA 3.41Å
57	D	92.5	Very high	86.9	Confident	30 Å²	30	57.6 Å²	57.6	16%	0.16	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	116.7	176.1	-177.2	-31.5	0	0	0	109.5	Y34 G59 K60 G61	Y34-D57 HydrophobicContact CD1-CB 4.27Å; Y34-D57 HydrophobicContact CE1-CB 3.84Å; D57-G59 PolarHBondContact O-N 3.2Å; D57-G59 WeakPolarHBondContact OD1-CA 3.27Å; D57-G59 PolarHBondContact OD1-N 2.9Å; D57-K60 HydrophobicContact CB-CB 4.12Å; D57-K60 HydrophobicContact CB-CD 4.17Å; D57-K60 HydrophobicContact CB-CG 4.23Å; D57-K60 PolarHBondContact O-N 3.5Å; D57-K60 PolarHBondContact OD1-N 3.23Å; D57-K60 VanDerWaalsContact OD2-CD 3.28Å; D57-K60 WeakPolarHBondContact OD2-CD 3.35Å; D57-K60 WeakPolarHBondContact OD2-CE 3.22Å; D57-K60 IonicContact OD2-NZ 3.88Å; D57-K60 PolarHBondContact OD2-NZ 2.98Å; D57-G61 PolarHBondContact O-N 3.37Å
58	I	90.3	Very high	88.3	Confident	105 Å²	105	53.4 Å²	53.4	54%	0.538	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-32.3	-176.1	-63.3	170.6	0	0	0	110.6	N33 A35 F56	N33-I58 WeakPolarHBondContact O-CG1 2.96Å; N33-I58 PolarHBondContact O-N 2.82Å; A35-I58 HydrophobicContact CB-CG1 4.44Å; F56-I58 PolarHBondContact O-N 3.28Å
59	G	88.1	Confident	89.4	Confident	74 Å²	74	53.8 Å²	53.8	76%	0.763	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.7	-180	0	0	0	0	0	114.3	D57	D57-G59 PolarHBondContact O-N 3.2Å; D57-G59 WeakPolarHBondContact OD1-CA 3.27Å; D57-G59 PolarHBondContact OD1-N 2.9Å
60	K	86.1	Confident	90	Very high	123 Å²	123	55.9 Å²	55.9	54%	0.535	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-13.1	-178.5	-63.3	178.8	-172.6	164.7	0	113.8	D57 W63 A64	D57-K60 HydrophobicContact CB-CB 4.12Å; D57-K60 HydrophobicContact CB-CD 4.17Å; D57-K60 HydrophobicContact CB-CG 4.23Å; D57-K60 PolarHBondContact O-N 3.5Å; D57-K60 PolarHBondContact OD1-N 3.23Å; D57-K60 VanDerWaalsContact OD2-CD 3.28Å; D57-K60 WeakPolarHBondContact OD2-CD 3.35Å; D57-K60 WeakPolarHBondContact OD2-CE 3.22Å; D57-K60 IonicContact OD2-NZ 3.88Å; D57-K60 PolarHBondContact OD2-NZ 2.98Å; K60-W63 VanDerWaalsContact O-CE2 3.32Å; K60-W63 PolarHBondContact O-NE1 3.46Å; K60-A64 HydrophobicContact CB-CB 3.72Å; K60-A64 HydrophobicContact CD-CB 4.37Å
61	G	74.8	Confident	90.4	Very high	32 Å²	32	52 Å²	52	33%	0.33	26%	0.263	S	S	.	.			trans	84.8	177.2	-179.3	0	0	0	0	0	113.8	D57 W63 A64	D57-G61 PolarHBondContact O-N 3.37Å; G61-W63 VanDerWaalsContact C-N 3.27Å; G61-W63 PolarHBondContact O-N 3.29Å; G61-W63 VanDerWaalsContact O-N 3.13Å; G61-A64 PolarHBondContact O-N 3.47Å
62	R	72.1	Confident	90.8	Very high	210 Å²	210	51.7 Å²	51.7	79%	0.792	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-15.5	-166	-71.8	-171.8	173.2	170.3	-0.4	116.3	F56 A64	F56-R62 WeakPolarHBondContact CD1-O 3.17Å; F56-R62 WeakPolarHBondContact CE1-O 3.4Å; R62-A64 VanDerWaalsContact C-N 3.32Å
63	W	74.9	Confident	90.9	Very high	215 Å²	215	51.7 Å²	51.7	81%	0.814	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-15	-179.8	58.4	-92.3	0	0	0	112.8	K60 G61 G65	K60-W63 VanDerWaalsContact O-CE2 3.32Å; K60-W63 PolarHBondContact O-NE1 3.46Å; G61-W63 VanDerWaalsContact C-N 3.27Å; G61-W63 PolarHBondContact O-N 3.29Å; G61-W63 VanDerWaalsContact O-N 3.13Å; W63-G65 VanDerWaalsContact C-N 3.28Å; W63-G65 PolarHBondContact O-N 3.12Å
64	A	80.2	Confident	91	Very high	27 Å²	27	55 Å²	55	22%	0.223	28%	0.276	C	S	.	.			trans	-91.9	32	-178.6	0	0	0	0	0	113.4	K60 G61 R62	K60-A64 HydrophobicContact CB-CB 3.72Å; K60-A64 HydrophobicContact CD-CB 4.37Å; G61-A64 PolarHBondContact O-N 3.47Å; R62-A64 VanDerWaalsContact C-N 3.32Å
65	G	89.5	Confident	91	Very high	24 Å²	24	58.5 Å²	58.5	25%	0.247	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	136.5	177.8	0	0	0	0	0	112.2	A55 F56 W63	A55-G65 WeakPolarHBondContact O-CA 3.39Å; F56-G65 VanDerWaalsContact CE1-CA 3.41Å; W63-G65 VanDerWaalsContact C-N 3.28Å; W63-G65 PolarHBondContact O-N 3.12Å
66	R	93.6	Very high	91.1	Very high	77 Å²	77	61.7 Å²	61.7	29%	0.291	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	162.5	173.2	70.2	177.3	-64.1	-175.7	7.9	112.5	Y54 A55 L68 E70 L71 E74	Y54-R66 WeakPolarHBondContact CA-O 3.36Å; A55-R66 PolarHBondContact N-O 3.09Å; A55-R66 PolarHBondContact O-N 3.34Å; R66-L68 PolarHBondContact O-N 3.17Å; R66-E70 IonicContact NH2-OE2 3.9Å; R66-L71 HydrophobicContact CG-CB 4.41Å; R66-L71 HydrophobicContact CG-CD1 4.33Å; R66-E74 IonicContact CZ-OE1 2.86Å; R66-E74 IonicContact CZ-OE2 2.94Å; R66-E74 IonicContact NH1-OE1 3.86Å; R66-E74 IonicContact NH1-OE2 3.92Å; R66-E74 PolarHBondContact NH1-OE2 3.07Å; R66-E74 IonicContact NH2-OE1 3.05Å; R66-E74 PolarHBondContact NH2-OE1 2.77Å; R66-E74 IonicContact NH2-OE2 3.53Å; R66-E74 PolarHBondContact NH2-OE2 2.88Å
67	P	96.8	Very high	91.3	Very high	18 Å²	18	66.9 Å²	66.9	12%	0.117	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	133	178.2	-20	31.7	0	0	0	112	Y54 H69 E70 L71	Y54-P67 HydrophobicContact CE1-CG 4.16Å; Y54-P67 HydrophobicContact CE2-CG 4.48Å; P67-H69 WeakPolarHBondContact CB-CE1 3.41Å; P67-H69 PolarHBondContact O-N 3.33Å; P67-E70 HydrophobicContact CB-CG 4.19Å; P67-E70 HydrophobicContact CG-CG 4.49Å; P67-E70 PolarHBondContact O-N 2.91Å; P67-L71 PolarHBondContact O-N 3.12Å
68	L	97.9	Very high	91.4	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.7	-39.9	-176	178.1	54.9	0	0	0	112.4	T21 I23 F36 A53 A55 R66 E70 L71 L72 N96	T21-L68 HydrophobicContact CG2-CD2 3.95Å; I23-L68 HydrophobicContact CG2-CD2 4.06Å; F36-L68 HydrophobicContact CD1-CD1 4.38Å; F36-L68 HydrophobicContact CD1-CD2 4.01Å; F36-L68 HydrophobicContact CE1-CD1 3.74Å; F36-L68 HydrophobicContact CE1-CD2 3.96Å; F36-L68 HydrophobicContact CE1-CG 4.46Å; A53-L68 HydrophobicContact CB-CB 3.92Å; A53-L68 HydrophobicContact CB-CD2 3.87Å; A53-L68 VanDerWaalsContact O-CB 3.31Å; A53-L68 WeakPolarHBondContact O-CB 3.42Å; A53-L68 PolarHBondContact O-N 3.31Å; A55-L68 HydrophobicContact CB-CD1 4.19Å; R66-L68 PolarHBondContact O-N 3.17Å; L68-E70 VanDerWaalsContact C-N 3.3Å; L68-E70 PolarHBondContact O-N 3.26Å; L68-L71 HydrophobicContact CD1-CD2 4.03Å; L68-L71 PolarHBondContact O-N 2.93Å; L68-L72 HydrophobicContact CD1-CD1 3.94Å; L68-L72 HydrophobicContact CD1-CD2 4.41Å; L68-L72 HydrophobicContact CD1-CG 3.86Å; L68-L72 HydrophobicContact CG-CD1 3.89Å; L68-L72 HydrophobicContact CG-CG 4.28Å; L68-L72 WeakPolarHBondContact O-CG 3.45Å; L68-L72 PolarHBondContact O-N 3.14Å; L68-N96 HydrophobicContact CD2-CB 4.17Å; L68-N96 HydrophobicContact CG-CB 4.24Å
69	H	98	Very high	91.7	Very high	13 Å²	13	65.3 Å²	65.3	6%	0.06	34%	0.342	C	S	.	.	H	α-helix	trans	-61.1	-37.8	179	59.3	-76.9	0	0	0	112.7	F52 P67 W73 V86 H88 N96 L101	F52-H69 AromaticContact CD1-CE1 3.82Å; P67-H69 WeakPolarHBondContact CB-CE1 3.41Å; P67-H69 PolarHBondContact O-N 3.33Å; H69-W73 VanDerWaalsContact O-CB 3.31Å; H69-W73 WeakPolarHBondContact O-CB 3.32Å; H69-W73 PolarHBondContact O-N 3.18Å; H69-V86 HydrophobicContact CB-CG1 4.41Å; H69-V86 PolarHBondContact CD2-O 2.86Å; H69-V86 PolarHBondContact NE2-O 2.93Å; H69-H88 AromaticContact CG-CE1 3.65Å; H69-H88 AromaticContact ND1-CE1 3.81Å; H69-N96 VanDerWaalsContact CB-OD1 3.29Å; H69-N96 WeakPolarHBondContact CB-OD1 3.44Å; H69-N96 PolarHBondContact N-OD1 3.39Å; H69-L101 HydrophobicContact CB-CD1 3.97Å; H69-L101 HydrophobicContact CB-CD2 3.75Å; H69-L101 WeakPolarHBondContact O-CD1 3.36Å
70	E	97.7	Very high	92.1	Very high	56 Å²	56	63.6 Å²	63.6	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-69.1	-44.5	174.5	-65.2	-176.8	179.7	0	0	111.6	R66 P67 L68 L72 W73 E74 I80	R66-E70 IonicContact NH2-OE2 3.9Å; P67-E70 HydrophobicContact CB-CG 4.19Å; P67-E70 HydrophobicContact CG-CG 4.49Å; P67-E70 PolarHBondContact O-N 2.91Å; L68-E70 VanDerWaalsContact C-N 3.3Å; L68-E70 PolarHBondContact O-N 3.26Å; E70-L72 VanDerWaalsContact C-N 3.3Å; E70-L72 PolarHBondContact O-N 3.18Å; E70-W73 PolarHBondContact O-N 2.79Å; E70-E74 WeakPolarHBondContact O-CG 3.19Å; E70-E74 PolarHBondContact O-N 2.81Å; E70-I80 HydrophobicContact CB-CD1 3.77Å; E70-I80 HydrophobicContact CG-CD1 3.88Å
71	L	97.4	Very high	92.7	Very high	14 Å²	14	59.9 Å²	59.9	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-57.8	-44.4	177.4	176.1	139.5	0	0	0	111.5	L30 Y34 A55 R66 P67 L68 K75	L30-L71 HydrophobicContact CD1-CD2 3.92Å; Y34-L71 HydrophobicContact CD1-CD1 4.3Å; Y34-L71 HydrophobicContact CE1-CD1 3.59Å; A55-L71 HydrophobicContact CB-CD1 4.34Å; R66-L71 HydrophobicContact CG-CB 4.41Å; R66-L71 HydrophobicContact CG-CD1 4.33Å; P67-L71 PolarHBondContact O-N 3.12Å; L68-L71 HydrophobicContact CD1-CD2 4.03Å; L68-L71 PolarHBondContact O-N 2.93Å; L71-K75 VanDerWaalsContact O-CB 3.28Å; L71-K75 WeakPolarHBondContact O-CB 3.46Å; L71-K75 PolarHBondContact O-N 3.04Å; L71-K75 VanDerWaalsContact O-N 3.09Å
72	L	98.3	Very high	93.7	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-68.4	-41.1	176.5	-68.2	173.3	0	0	0	111.7	I23 D27 L30 L68 E70 K75 H76 N96 L98 L101	I23-L72 HydrophobicContact CG2-CD1 4.18Å; D27-L72 HydrophobicContact CB-CD2 3.84Å; D27-L72 VanDerWaalsContact CG-CD2 3.43Å; L30-L72 HydrophobicContact CD1-CD2 3.54Å; L68-L72 HydrophobicContact CD1-CD1 3.94Å; L68-L72 HydrophobicContact CD1-CD2 4.41Å; L68-L72 HydrophobicContact CD1-CG 3.86Å; L68-L72 HydrophobicContact CG-CD1 3.89Å; L68-L72 HydrophobicContact CG-CG 4.28Å; L68-L72 WeakPolarHBondContact O-CG 3.45Å; L68-L72 PolarHBondContact O-N 3.14Å; E70-L72 VanDerWaalsContact C-N 3.3Å; E70-L72 PolarHBondContact O-N 3.18Å; L72-K75 PolarHBondContact O-N 3.12Å; L72-H76 PolarHBondContact O-CD2 3.33Å; L72-H76 PolarHBondContact O-N 3.44Å; L72-H76 VanDerWaalsContact O-N 3.16Å; L72-N96 HydrophobicContact CD1-CB 3.78Å; L72-N96 WeakPolarHBondContact CD1-O 3.39Å; L72-L98 HydrophobicContact CB-CD2 4.2Å; L72-L101 HydrophobicContact CB-CD1 4.39Å
73	W	98.4	Very high	94.8	Very high	23 Å²	23	58.3 Å²	58.3	9%	0.087	32%	0.32	C	S	.	.	H	α-helix	trans	-59.7	-51	176.2	-174	-82.7	0	0	0	111.6	H69 E70 K75 H76 R77 G78 I80 V86 L101 L103	H69-W73 VanDerWaalsContact O-CB 3.31Å; H69-W73 WeakPolarHBondContact O-CB 3.32Å; H69-W73 PolarHBondContact O-N 3.18Å; E70-W73 PolarHBondContact O-N 2.79Å; W73-K75 VanDerWaalsContact C-N 3.31Å; W73-K75 PolarHBondContact O-N 3.02Å; W73-H76 PolarHBondContact O-N 2.95Å; W73-R77 HydrophobicContact CD2-CB 4.02Å; W73-R77 HydrophobicContact CG-CB 4.33Å; W73-R77 VanDerWaalsContact CH2-NH1 3.28Å; W73-R77 HydrophobicContact CZ2-CB 3.86Å; W73-R77 HydrophobicContact CZ2-CG 4.36Å; W73-R77 WeakPolarHBondContact O-CA 3.41Å; W73-R77 WeakPolarHBondContact O-CB 3.4Å; W73-R77 PolarHBondContact O-N 3.11Å; W73-G78 PolarHBondContact O-N 2.96Å; W73-I80 HydrophobicContact CB-CD1 4.48Å; W73-I80 HydrophobicContact CG-CG1 4.49Å; W73-V86 HydrophobicContact CB-CG1 4.22Å; W73-V86 HydrophobicContact CB-CG2 3.74Å; W73-V86 HydrophobicContact CD2-CG1 4.28Å; W73-V86 HydrophobicContact CD2-CG2 3.76Å; W73-V86 HydrophobicContact CE3-CG1 3.86Å; W73-V86 HydrophobicContact CE3-CG2 4.16Å; W73-V86 HydrophobicContact CG-CG1 4.42Å; W73-V86 HydrophobicContact CG-CG2 3.51Å; W73-L101 HydrophobicContact CE3-CB 3.91Å; W73-L101 HydrophobicContact CZ3-CB 4.14Å; W73-L103 HydrophobicContact CD2-CB 4.5Å; W73-L103 HydrophobicContact CH2-CB 3.68Å; W73-L103 VanDerWaalsContact CH2-N 3.29Å; W73-L103 HydrophobicContact CZ2-CB 3.34Å; W73-L103 HydrophobicContact CZ2-CD2 4.33Å; W73-L103 HydrophobicContact CZ2-CG 4.35Å; W73-L103 HydrophobicContact CZ3-CB 4.38Å
74	E	97.7	Very high	95.9	Very high	69 Å²	69	52 Å²	52	32%	0.322	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-40.7	-179.3	-73.6	179.9	176.5	0	0	112.6	R66 E70 H76 G78 I80	R66-E74 IonicContact CZ-OE1 2.86Å; R66-E74 IonicContact CZ-OE2 2.94Å; R66-E74 IonicContact NH1-OE1 3.86Å; R66-E74 IonicContact NH1-OE2 3.92Å; R66-E74 PolarHBondContact NH1-OE2 3.07Å; R66-E74 IonicContact NH2-OE1 3.05Å; R66-E74 PolarHBondContact NH2-OE1 2.77Å; R66-E74 IonicContact NH2-OE2 3.53Å; R66-E74 PolarHBondContact NH2-OE2 2.88Å; E70-E74 WeakPolarHBondContact O-CG 3.19Å; E70-E74 PolarHBondContact O-N 2.81Å; E74-H76 VanDerWaalsContact C-N 3.29Å; E74-H76 PolarHBondContact O-N 2.83Å; E74-G78 VanDerWaalsContact CA-O 3.32Å; E74-G78 WeakPolarHBondContact CA-O 3.22Å; E74-G78 PolarHBondContact O-N 3.23Å; E74-I80 HydrophobicContact CG-CD1 3.94Å; E74-I80 HydrophobicContact CG-CG1 4.04Å
75	K	97	Very high	96.6	Very high	106 Å²	106	53.8 Å²	53.8	46%	0.461	30%	0.303	S	S	.	.	H	α-helix	trans	-59.7	-38.3	177.5	179.5	177.8	174.7	-169.1	0	112.6	D27 L71 L72 W73	D27-K75 IonicContact OD1-NZ 2.86Å; D27-K75 PolarHBondContact OD1-NZ 3.19Å; L71-K75 VanDerWaalsContact O-CB 3.28Å; L71-K75 WeakPolarHBondContact O-CB 3.46Å; L71-K75 PolarHBondContact O-N 3.04Å; L71-K75 VanDerWaalsContact O-N 3.09Å; L72-K75 PolarHBondContact O-N 3.12Å; W73-K75 VanDerWaalsContact C-N 3.31Å; W73-K75 PolarHBondContact O-N 3.02Å
76	H	98	Very high	97	Very high	66 Å²	66	53 Å²	53	31%	0.306	29%	0.293	S	S	.	.	H	α-helix	trans	-111.2	-26.4	-168.4	-67.3	-72.7	0	0	0	115.2	Q26 D27 L72 W73 E74 L98	Q26-H76 PolarHBondContact NE2-CE1 3.23Å; D27-H76 IonicContact OD1-CD2 3.72Å; D27-H76 IonicContact OD1-CE1 3.41Å; D27-H76 IonicContact OD1-NE2 3Å; D27-H76 PolarHBondContact OD1-NE2 3Å; D27-H76 IonicContact OD2-CD2 2.63Å; D27-H76 IonicContact OD2-CE1 3.79Å; D27-H76 IonicContact OD2-NE2 2.6Å; D27-H76 PolarHBondContact OD2-NE2 2.93Å; L72-H76 PolarHBondContact O-CD2 3.33Å; L72-H76 PolarHBondContact O-N 3.44Å; L72-H76 VanDerWaalsContact O-N 3.16Å; W73-H76 PolarHBondContact O-N 2.95Å; E74-H76 VanDerWaalsContact C-N 3.29Å; E74-H76 PolarHBondContact O-N 2.83Å; H76-L98 HydrophobicContact CB-CD1 3.81Å; H76-L98 HydrophobicContact CB-CD2 4.07Å
77	R	97.2	Very high	97	Very high	123 Å²	123	50.9 Å²	50.9	46%	0.464	29%	0.287	S	S	.	.	H	α-helix	trans	-126.3	0.2	-172.5	-64.6	-171.9	176	167.1	7.1	113.6	W73 L98 L101	W73-R77 HydrophobicContact CD2-CB 4.02Å; W73-R77 HydrophobicContact CG-CB 4.33Å; W73-R77 VanDerWaalsContact CH2-NH1 3.28Å; W73-R77 HydrophobicContact CZ2-CB 3.86Å; W73-R77 HydrophobicContact CZ2-CG 4.36Å; W73-R77 WeakPolarHBondContact O-CA 3.41Å; W73-R77 WeakPolarHBondContact O-CB 3.4Å; W73-R77 PolarHBondContact O-N 3.11Å; R77-L98 PolarHBondContact NH1-O 3.42Å; R77-L98 PolarHBondContact NH2-O 2.88Å; R77-L101 PolarHBondContact NH1-O 3.12Å
78	G	96	Very high	96.9	Very high	33 Å²	33	50.7 Å²	50.7	34%	0.34	29%	0.285	S	S	.	.			trans	89.8	-176.4	174.8	0	0	0	0	0	114.4	W73 E74	W73-G78 PolarHBondContact O-N 2.96Å; E74-G78 VanDerWaalsContact CA-O 3.32Å; E74-G78 WeakPolarHBondContact CA-O 3.22Å; E74-G78 PolarHBondContact O-N 3.23Å
79	G	95.9	Very high	96.6	Very high	68 Å²	68	53.9 Å²	53.9	70%	0.701	30%	0.301	S	S	*	.			trans	-61.3	152.4	-169.2	0	0	0	0	0	115.2
80	I	97.6	Very high	96.2	Very high	38 Å²	38	54.8 Å²	54.8	20%	0.195	31%	0.306	C	S	.	.			trans	-101.3	115	174.9	-59.3	165.4	0	0	0	107.7	E70 W73 E74 F84 V86 L103	E70-I80 HydrophobicContact CB-CD1 3.77Å; E70-I80 HydrophobicContact CG-CD1 3.88Å; W73-I80 HydrophobicContact CB-CD1 4.48Å; W73-I80 HydrophobicContact CG-CG1 4.49Å; E74-I80 HydrophobicContact CG-CD1 3.94Å; E74-I80 HydrophobicContact CG-CG1 4.04Å; I80-F84 HydrophobicContact CG2-CB 4.49Å; I80-F84 WeakPolarHBondContact CG2-O 3.43Å; I80-V86 HydrophobicContact CD1-CG2 3.58Å; I80-V86 HydrophobicContact CG1-CG2 3.98Å; I80-L103 HydrophobicContact CB-CD1 4.46Å; I80-L103 HydrophobicContact CG1-CD1 4.16Å; I80-L103 HydrophobicContact CG2-CD1 3.98Å
81	A	97	Very high	95.8	Very high	45 Å²	45	54 Å²	54	37%	0.372	31%	0.307	S	S	.	.			trans	-72.6	151.4	176.7	0	0	0	0	0	111	S83 F84	A81-S83 PolarHBondContact O-N 2.85Å; A81-F84 HydrophobicContact CB-CD2 3.93Å; A81-F84 WeakPolarHBondContact O-CA 3.28Å; A81-F84 PolarHBondContact O-N 3.02Å
82	P	95.8	Very high	95.5	Very high	135 Å²	135	53.4 Å²	53.4	88%	0.877	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.8	-175.4	-27.6	35.1	0	0	0	115.9	F84	P82-F84 VanDerWaalsContact C-N 3.3Å
83	S	96.4	Very high	95.3	Very high	74 Å²	74	54.3 Å²	54.3	52%	0.517	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	6	176.5	53.3	0	0	0	0	113.8	A81 P105 V106	A81-S83 PolarHBondContact O-N 2.85Å; S83-P105 WeakPolarHBondContact O-CA 3.48Å; S83-V106 PolarHBondContact O-N 3.21Å
84	F	97.2	Very high	95.1	Very high	83 Å²	83	53.5 Å²	53.5	36%	0.364	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	158.1	-178.9	-70	-100.3	0	0	0	111.5	I80 A81 P82 L103 V104 P105	I80-F84 HydrophobicContact CG2-CB 4.49Å; I80-F84 WeakPolarHBondContact CG2-O 3.43Å; A81-F84 HydrophobicContact CB-CD2 3.93Å; A81-F84 WeakPolarHBondContact O-CA 3.28Å; A81-F84 PolarHBondContact O-N 3.02Å; P82-F84 VanDerWaalsContact C-N 3.3Å; F84-L103 HydrophobicContact CB-CD1 3.79Å; F84-L103 HydrophobicContact CB-CD2 4.38Å; F84-L103 HydrophobicContact CB-CG 4.01Å; F84-L103 HydrophobicContact CD1-CD2 4.14Å; F84-L103 HydrophobicContact CD1-CG 3.95Å; F84-L103 HydrophobicContact CG-CD2 4.42Å; F84-L103 HydrophobicContact CG-CG 4.32Å; F84-V104 CarbonylContact C-O 3.46Å; F84-V104 VanDerWaalsContact CA-O 3.27Å; F84-V104 WeakPolarHBondContact CA-O 3.42Å; F84-P105 HydrophobicContact CE1-CG 4.21Å
85	Q	95.9	Very high	95	Very high	65 Å²	65	50.2 Å²	50.2	30%	0.304	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	155.9	177.2	59.5	178.6	-19.6	0	0	109.6	I87 L103 V104 P105 V106	Q85-I87 HydrophobicContact CG-CG2 4.31Å; Q85-L103 WeakPolarHBondContact O-CA 3.41Å; Q85-V104 HydrophobicContact CG-CG2 3.77Å; Q85-V104 PolarHBondContact N-O 3.15Å; Q85-V104 PolarHBondContact O-N 2.81Å; Q85-P105 PolarHBondContact NE2-O 3.05Å; Q85-V106 HydrophobicContact CB-CG2 4.3Å; Q85-V106 HydrophobicContact CG-CG2 4.41Å
86	V	96.9	Very high	95.1	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.036	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.2	175.3	178.8	0	0	0	0	108.9	H69 W73 I80 L101 R102 L103	H69-V86 HydrophobicContact CB-CG1 4.41Å; H69-V86 PolarHBondContact CD2-O 2.86Å; H69-V86 PolarHBondContact NE2-O 2.93Å; W73-V86 HydrophobicContact CB-CG1 4.22Å; W73-V86 HydrophobicContact CB-CG2 3.74Å; W73-V86 HydrophobicContact CD2-CG1 4.28Å; W73-V86 HydrophobicContact CD2-CG2 3.76Å; W73-V86 HydrophobicContact CE3-CG1 3.86Å; W73-V86 HydrophobicContact CE3-CG2 4.16Å; W73-V86 HydrophobicContact CG-CG1 4.42Å; W73-V86 HydrophobicContact CG-CG2 3.51Å; I80-V86 HydrophobicContact CD1-CG2 3.58Å; I80-V86 HydrophobicContact CG1-CG2 3.98Å; V86-L101 HydrophobicContact CG1-CB 4.01Å; V86-L101 HydrophobicContact CG1-CD1 4.32Å; V86-L101 HydrophobicContact CG1-CD2 4.35Å; V86-L101 HydrophobicContact CG1-CG 4.45Å; V86-R102 CarbonylContact C-O 3.59Å; V86-R102 WeakPolarHBondContact CA-O 3.46Å; V86-L103 HydrophobicContact CG2-CD1 3.75Å
87	I	95.1	Very high	95	Very high	33 Å²	33	42.5 Å²	42.5	17%	0.169	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	159.3	-179.1	63.2	161.4	0	0	0	111.8	Q85 L101 R102 V104 W108	Q85-I87 HydrophobicContact CG-CG2 4.31Å; I87-L101 CarbonylContact O-C 3.55Å; I87-L101 WeakPolarHBondContact O-CA 3.43Å; I87-R102 HydrophobicContact CG1-CB 4.04Å; I87-R102 WeakPolarHBondContact CG1-O 3.19Å; I87-R102 PolarHBondContact N-O 2.98Å; I87-R102 PolarHBondContact O-N 2.92Å; I87-V104 HydrophobicContact CB-CG2 4.47Å; I87-V104 HydrophobicContact CD1-CG1 3.81Å; I87-V104 HydrophobicContact CD1-CG2 4.06Å; I87-V104 HydrophobicContact CG1-CG1 4.05Å; I87-V104 HydrophobicContact CG1-CG2 4Å; I87-V104 HydrophobicContact CG2-CG2 3.68Å; I87-W108 HydrophobicContact CD1-CE3 3.64Å; I87-W108 HydrophobicContact CD1-CH2 4.1Å; I87-W108 HydrophobicContact CD1-CZ3 3.28Å
88	H	94.1	Very high	95	Very high	15 Å²	15	37.5 Å²	37.5	7%	0.069	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.2	171.7	-55.9	81.1	0	0	0	110.5	H69 N90 S91 V92 T93 D95 N96 N100	H69-H88 AromaticContact CG-CE1 3.65Å; H69-H88 AromaticContact ND1-CE1 3.81Å; H88-N90 VanDerWaalsContact C-N 3.32Å; H88-N90 PolarHBondContact O-N 3.42Å; H88-S91 PolarHBondContact O-N 3.5Å; H88-V92 PolarHBondContact CD2-O 3.36Å; H88-T93 PolarHBondContact CE1-O 3.35Å; H88-T93 PolarHBondContact NE2-O 2.8Å; H88-D95 PolarHBondContact CD2-O 3.33Å; H88-D95 VanDerWaalsContact CD2-O 3.28Å; H88-N96 PolarHBondContact NE2-OD1 2.86Å; H88-N100 CarbonylContact C-O 3.59Å; H88-N100 WeakPolarHBondContact CA-O 3.36Å
89	I	91.6	Very high	94.9	Very high	66 Å²	66	40.5 Å²	40.5	34%	0.338	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-41.6	-175.2	-61.2	163.9	0	0	0	110.9	S91 N100 R102	I89-S91 PolarHBondContact O-N 3.18Å; I89-N100 WeakPolarHBondContact CG1-O 3.36Å; I89-N100 PolarHBondContact N-O 3.46Å; I89-N100 PolarHBondContact N-OD1 2.8Å; I89-R102 HydrophobicContact CD1-CB 4.18Å; I89-R102 HydrophobicContact CG1-CB 3.94Å
90	N	89.1	Confident	94.9	Very high	32 Å²	32	37.7 Å²	37.7	17%	0.171	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	2.5	179	71	2.4	0	0	0	114.6	H88 V92 D95 N100	H88-N90 VanDerWaalsContact C-N 3.32Å; H88-N90 PolarHBondContact O-N 3.42Å; N90-V92 PolarHBondContact O-N 2.93Å; N90-V92 WeakPolarHBondContact OD1-CA 3.42Å; N90-V92 WeakPolarHBondContact OD1-CB 3.26Å; N90-V92 PolarHBondContact OD1-N 2.61Å; N90-V92 PolarHBondContact OD1-O 2.8Å; N90-D95 PolarHBondContact ND2-OD2 3.29Å; N90-N100 VanDerWaalsContact CB-OD1 3.32Å; N90-N100 WeakPolarHBondContact CB-OD1 3.34Å; N90-N100 VanDerWaalsContact CG-CG 3.46Å; N90-N100 VanDerWaalsContact CG-ND2 3.25Å; N90-N100 PolarHBondContact N-OD1 2.98Å; N90-N100 PolarHBondContact ND2-ND2 3.03Å; N90-N100 PolarHBondContact ND2-OD1 2.83Å; N90-N100 PolarHBondContact OD1-ND2 3.01Å; N90-N100 PolarHBondContact OD1-OD1 3.01Å
91	S	88.6	Confident	94.9	Very high	40 Å²	40	36 Å²	36	28%	0.28	21%	0.208	S	C	.	.	S	Bend	trans	58.2	22.6	-175.6	-58.8	0	0	0	0	115.1	H88 I89 I115 R120	H88-S91 PolarHBondContact O-N 3.5Å; I89-S91 PolarHBondContact O-N 3.18Å; S91-I115 WeakPolarHBondContact OG-CD1 3.32Å; S91-R120 PolarHBondContact O-NH2 2.78Å
92	V	91.4	Very high	94.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	21%	0.209	C	C	.	.			trans	-105.2	98	169.2	-177	0	0	0	0	107.2	H88 N90 V94 D95 R120 Y125	H88-V92 PolarHBondContact CD2-O 3.36Å; N90-V92 PolarHBondContact O-N 2.93Å; N90-V92 WeakPolarHBondContact OD1-CA 3.42Å; N90-V92 WeakPolarHBondContact OD1-CB 3.26Å; N90-V92 PolarHBondContact OD1-N 2.61Å; N90-V92 PolarHBondContact OD1-O 2.8Å; V92-V94 HydrophobicContact CG1-CG2 3.81Å; V92-V94 PolarHBondContact O-N 3.2Å; V92-D95 HydrophobicContact CB-CB 4.11Å; V92-D95 HydrophobicContact CG1-CB 4.1Å; V92-D95 PolarHBondContact O-N 3.05Å; V92-R120 HydrophobicContact CG2-CG 4.39Å; V92-Y125 HydrophobicContact CG1-CD1 3.67Å; V92-Y125 HydrophobicContact CG1-CD2 3.96Å; V92-Y125 HydrophobicContact CG1-CE1 4.14Å; V92-Y125 HydrophobicContact CG1-CE2 4.44Å; V92-Y125 HydrophobicContact CG1-CG 3.58Å
93	T	93.8	Very high	94.9	Very high	20 Å²	20	35 Å²	35	12%	0.123	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-2.9	-171.2	45.4	0	0	0	0	115.3	K50 I51 F52 H88	K50-T93 HydrophobicContact CB-CG2 4.29Å; K50-T93 HydrophobicContact CD-CG2 4.18Å; K50-T93 HydrophobicContact CG-CG2 4.43Å; I51-T93 WeakPolarHBondContact O-CB 3.25Å; I51-T93 PolarHBondContact O-OG1 2.86Å; F52-T93 HydrophobicContact CD1-CG2 4.06Å; F52-T93 HydrophobicContact CE1-CG2 3.45Å; F52-T93 VanDerWaalsContact CE1-CG2 3.45Å; F52-T93 HydrophobicContact CE2-CG2 4.37Å; F52-T93 HydrophobicContact CZ-CG2 3.65Å; H88-T93 PolarHBondContact CE1-O 3.35Å; H88-T93 PolarHBondContact NE2-O 2.8Å
94	V	94.9	Very high	94.9	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.03	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	0.6	173.9	-68.5	0	0	0	0	112.7	L11 Y20 T21 L22 I51 V92 N96 Y125	L11-V94 HydrophobicContact CD1-CG1 3.94Å; Y20-V94 WeakPolarHBondContact O-CB 3.31Å; T21-V94 WeakPolarHBondContact CA-O 3.25Å; T21-V94 WeakPolarHBondContact CB-O 3.22Å; T21-V94 PolarHBondContact OG1-O 3.45Å; L22-V94 PolarHBondContact N-O 2.91Å; I51-V94 HydrophobicContact CG2-CG1 4.46Å; I51-V94 WeakPolarHBondContact O-CG1 3.47Å; V92-V94 HydrophobicContact CG1-CG2 3.81Å; V92-V94 PolarHBondContact O-N 3.2Å; V94-N96 PolarHBondContact O-N 2.81Å; V94-N96 PolarHBondContact O-ND2 2.83Å; V94-Y125 HydrophobicContact CB-CE2 4.12Å; V94-Y125 HydrophobicContact CG2-CD2 3.95Å; V94-Y125 HydrophobicContact CG2-CE1 4.22Å; V94-Y125 HydrophobicContact CG2-CE2 3.26Å; V94-Y125 VanDerWaalsContact CG2-CZ 3.42Å
95	D	96.1	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-89.7	83.3	171.2	-174.6	2.1	0	0	0	109.6	H88 N90 V92 R97 N100 Y125	H88-D95 PolarHBondContact CD2-O 3.33Å; H88-D95 VanDerWaalsContact CD2-O 3.28Å; N90-D95 PolarHBondContact ND2-OD2 3.29Å; V92-D95 HydrophobicContact CB-CB 4.11Å; V92-D95 HydrophobicContact CG1-CB 4.1Å; V92-D95 PolarHBondContact O-N 3.05Å; D95-R97 VanDerWaalsContact C-N 3.27Å; D95-R97 PolarHBondContact O-N 3.05Å; D95-R97 WeakPolarHBondContact OD1-CG 3.35Å; D95-R97 IonicContact OD1-CZ 3.01Å; D95-R97 IonicContact OD1-NE 3.33Å; D95-R97 PolarHBondContact OD1-NE 3.12Å; D95-R97 IonicContact OD1-NH2 3.22Å; D95-R97 IonicContact OD2-CZ 3.42Å; D95-R97 IonicContact OD2-NE 3.86Å; D95-R97 IonicContact OD2-NH2 3.79Å; D95-R97 PolarHBondContact OD2-NH2 3.4Å; D95-N100 PolarHBondContact O-ND2 2.95Å; D95-Y125 HydrophobicContact CB-CD2 4.3Å
96	N	97.8	Very high	94.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.			trans	-89.8	21.3	-171.5	-66.9	-72.1	0	0	0	113.7	T21 L22 I23 A53 L68 H69 L72 H88 V94	T21-N96 PolarHBondContact OG1-ND2 3.01Å; L22-N96 CarbonylContact O-C 3.55Å; L22-N96 WeakPolarHBondContact O-CA 3.46Å; L22-N96 WeakPolarHBondContact O-CB 3.4Å; L22-N96 PolarHBondContact O-N 2.95Å; I23-N96 HydrophobicContact CG2-CB 4.4Å; A53-N96 WeakPolarHBondContact CB-ND2 3.44Å; L68-N96 HydrophobicContact CD2-CB 4.17Å; L68-N96 HydrophobicContact CG-CB 4.24Å; H69-N96 VanDerWaalsContact CB-OD1 3.29Å; H69-N96 WeakPolarHBondContact CB-OD1 3.44Å; H69-N96 PolarHBondContact N-OD1 3.39Å; L72-N96 HydrophobicContact CD1-CB 3.78Å; L72-N96 WeakPolarHBondContact CD1-O 3.39Å; H88-N96 PolarHBondContact NE2-OD1 2.86Å; V94-N96 PolarHBondContact O-N 2.81Å; V94-N96 PolarHBondContact O-ND2 2.83Å
97	R	97.1	Very high	94.2	Very high	11 Å²	11	35.2 Å²	35.2	4%	0.042	21%	0.205	C	C	.	.			trans	-63.9	139	170.5	-61.7	178.7	-59.1	115.1	8.7	110.3	L22 D95 D99 N100 L101 L124	L22-R97 HydrophobicContact CB-CG 4.04Å; D95-R97 VanDerWaalsContact C-N 3.27Å; D95-R97 PolarHBondContact O-N 3.05Å; D95-R97 WeakPolarHBondContact OD1-CG 3.35Å; D95-R97 IonicContact OD1-CZ 3.01Å; D95-R97 IonicContact OD1-NE 3.33Å; D95-R97 PolarHBondContact OD1-NE 3.12Å; D95-R97 IonicContact OD1-NH2 3.22Å; D95-R97 IonicContact OD2-CZ 3.42Å; D95-R97 IonicContact OD2-NE 3.86Å; D95-R97 IonicContact OD2-NH2 3.79Å; D95-R97 PolarHBondContact OD2-NH2 3.4Å; R97-D99 VanDerWaalsContact C-N 3.25Å; R97-D99 WeakPolarHBondContact CB-OD1 3.09Å; R97-D99 IonicContact CZ-OD1 3.94Å; R97-D99 IonicContact CZ-OD2 2.77Å; R97-D99 IonicContact NH1-OD1 3.8Å; R97-D99 PolarHBondContact NH1-OD1 3.23Å; R97-D99 IonicContact NH1-OD2 2.93Å; R97-D99 PolarHBondContact NH1-OD2 3.24Å; R97-D99 IonicContact NH2-OD1 2.65Å; R97-D99 PolarHBondContact O-N 2.9Å; R97-N100 WeakPolarHBondContact O-CA 3.37Å; R97-N100 WeakPolarHBondContact O-CB 3.19Å; R97-N100 PolarHBondContact O-N 2.77Å; R97-L101 PolarHBondContact O-N 3.2Å; R97-L124 VanDerWaalsContact CZ-CD1 3.47Å
98	L	96.6	Very high	93.9	Very high	17 Å²	17	38.3 Å²	38.3	9%	0.089	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-62.7	-30.7	-173.6	-72.5	175.7	0	0	0	113.4	D24 L72 H76 R77 N100 L101	D24-L98 WeakPolarHBondContact OD2-CB 3.45Å; D24-L98 WeakPolarHBondContact OD2-CG 3.46Å; D24-L98 PolarHBondContact OD2-N 3.28Å; L72-L98 HydrophobicContact CB-CD2 4.2Å; H76-L98 HydrophobicContact CB-CD1 3.81Å; H76-L98 HydrophobicContact CB-CD2 4.07Å; R77-L98 PolarHBondContact NH1-O 3.42Å; R77-L98 PolarHBondContact NH2-O 2.88Å; L98-N100 PolarHBondContact O-N 2.96Å; L98-L101 HydrophobicContact CD2-CD1 4.41Å; L98-L101 PolarHBondContact O-N 3.09Å
99	D	94.9	Very high	93.1	Very high	96 Å²	96	41.9 Å²	41.9	51%	0.513	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-66.7	-24	174.6	70	-22.3	0	0	0	112.6	R97	R97-D99 VanDerWaalsContact C-N 3.25Å; R97-D99 WeakPolarHBondContact CB-OD1 3.09Å; R97-D99 IonicContact CZ-OD1 3.94Å; R97-D99 IonicContact CZ-OD2 2.77Å; R97-D99 IonicContact NH1-OD1 3.8Å; R97-D99 PolarHBondContact NH1-OD1 3.23Å; R97-D99 IonicContact NH1-OD2 2.93Å; R97-D99 PolarHBondContact NH1-OD2 3.24Å; R97-D99 IonicContact NH2-OD1 2.65Å; R97-D99 PolarHBondContact O-N 2.9Å
100	N	94.8	Very high	92.2	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.048	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-90.1	-8.6	176.4	-169.5	47.9	0	0	0	113.3	H88 I89 N90 D95 R97 L98	H88-N100 CarbonylContact C-O 3.59Å; H88-N100 WeakPolarHBondContact CA-O 3.36Å; I89-N100 WeakPolarHBondContact CG1-O 3.36Å; I89-N100 PolarHBondContact N-O 3.46Å; I89-N100 PolarHBondContact N-OD1 2.8Å; N90-N100 VanDerWaalsContact CB-OD1 3.32Å; N90-N100 WeakPolarHBondContact CB-OD1 3.34Å; N90-N100 VanDerWaalsContact CG-CG 3.46Å; N90-N100 VanDerWaalsContact CG-ND2 3.25Å; N90-N100 PolarHBondContact N-OD1 2.98Å; N90-N100 PolarHBondContact ND2-ND2 3.03Å; N90-N100 PolarHBondContact ND2-OD1 2.83Å; N90-N100 PolarHBondContact OD1-ND2 3.01Å; N90-N100 PolarHBondContact OD1-OD1 3.01Å; D95-N100 PolarHBondContact O-ND2 2.95Å; R97-N100 WeakPolarHBondContact O-CA 3.37Å; R97-N100 WeakPolarHBondContact O-CB 3.19Å; R97-N100 PolarHBondContact O-N 2.77Å; L98-N100 PolarHBondContact O-N 2.96Å
101	L	96.9	Very high	91.1	Very high	2 Å²	2	47 Å²	47	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	143.9	179.9	-58.2	-174.7	0	0	0	112.2	H69 L72 W73 R77 V86 I87 R97 L98	H69-L101 HydrophobicContact CB-CD1 3.97Å; H69-L101 HydrophobicContact CB-CD2 3.75Å; H69-L101 WeakPolarHBondContact O-CD1 3.36Å; L72-L101 HydrophobicContact CB-CD1 4.39Å; W73-L101 HydrophobicContact CE3-CB 3.91Å; W73-L101 HydrophobicContact CZ3-CB 4.14Å; R77-L101 PolarHBondContact NH1-O 3.12Å; V86-L101 HydrophobicContact CG1-CB 4.01Å; V86-L101 HydrophobicContact CG1-CD1 4.32Å; V86-L101 HydrophobicContact CG1-CD2 4.35Å; V86-L101 HydrophobicContact CG1-CG 4.45Å; I87-L101 CarbonylContact O-C 3.55Å; I87-L101 WeakPolarHBondContact O-CA 3.43Å; R97-L101 PolarHBondContact O-N 3.2Å; L98-L101 HydrophobicContact CD2-CD1 4.41Å; L98-L101 PolarHBondContact O-N 3.09Å
102	R	96.4	Very high	89.5	Confident	105 Å²	105	51.6 Å²	51.6	40%	0.396	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	134.3	175.7	-170.8	179.6	-61.2	172.8	2.3	111.8	V86 I87 I89 V104	V86-R102 CarbonylContact C-O 3.59Å; V86-R102 WeakPolarHBondContact CA-O 3.46Å; I87-R102 HydrophobicContact CG1-CB 4.04Å; I87-R102 WeakPolarHBondContact CG1-O 3.19Å; I87-R102 PolarHBondContact N-O 2.98Å; I87-R102 PolarHBondContact O-N 2.92Å; I89-R102 HydrophobicContact CD1-CB 4.18Å; I89-R102 HydrophobicContact CG1-CB 3.94Å; R102-V104 HydrophobicContact CG-CG1 3.95Å
103	L	97.2	Very high	87.5	Confident	54 Å²	54	60.1 Å²	60.1	28%	0.283	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	127.1	169.1	-170.8	75.4	0	0	0	109.7	W73 I80 F84 Q85 V86	W73-L103 HydrophobicContact CD2-CB 4.5Å; W73-L103 HydrophobicContact CH2-CB 3.68Å; W73-L103 VanDerWaalsContact CH2-N 3.29Å; W73-L103 HydrophobicContact CZ2-CB 3.34Å; W73-L103 HydrophobicContact CZ2-CD2 4.33Å; W73-L103 HydrophobicContact CZ2-CG 4.35Å; W73-L103 HydrophobicContact CZ3-CB 4.38Å; I80-L103 HydrophobicContact CB-CD1 4.46Å; I80-L103 HydrophobicContact CG1-CD1 4.16Å; I80-L103 HydrophobicContact CG2-CD1 3.98Å; F84-L103 HydrophobicContact CB-CD1 3.79Å; F84-L103 HydrophobicContact CB-CD2 4.38Å; F84-L103 HydrophobicContact CB-CG 4.01Å; F84-L103 HydrophobicContact CD1-CD2 4.14Å; F84-L103 HydrophobicContact CD1-CG 3.95Å; F84-L103 HydrophobicContact CG-CD2 4.42Å; F84-L103 HydrophobicContact CG-CG 4.32Å; Q85-L103 WeakPolarHBondContact O-CA 3.41Å; V86-L103 HydrophobicContact CG2-CD1 3.75Å
104	V	96.1	Very high	85.5	Confident	7 Å²	7	64.1 Å²	64.1	4%	0.042	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	158.2	-179.5	-62	0	0	0	0	110.1	F84 Q85 I87 R102 W108	F84-V104 CarbonylContact C-O 3.46Å; F84-V104 VanDerWaalsContact CA-O 3.27Å; F84-V104 WeakPolarHBondContact CA-O 3.42Å; Q85-V104 HydrophobicContact CG-CG2 3.77Å; Q85-V104 PolarHBondContact N-O 3.15Å; Q85-V104 PolarHBondContact O-N 2.81Å; I87-V104 HydrophobicContact CB-CG2 4.47Å; I87-V104 HydrophobicContact CD1-CG1 3.81Å; I87-V104 HydrophobicContact CD1-CG2 4.06Å; I87-V104 HydrophobicContact CG1-CG1 4.05Å; I87-V104 HydrophobicContact CG1-CG2 4Å; I87-V104 HydrophobicContact CG2-CG2 3.68Å; R102-V104 HydrophobicContact CG-CG1 3.95Å; V104-W108 HydrophobicContact CB-CB 3.96Å; V104-W108 HydrophobicContact CB-CD2 4.24Å; V104-W108 HydrophobicContact CB-CE3 4.49Å; V104-W108 HydrophobicContact CB-CG 4.01Å; V104-W108 HydrophobicContact CG1-CD2 4.15Å; V104-W108 HydrophobicContact CG1-CE3 4.28Å; V104-W108 HydrophobicContact CG1-CG 4.38Å; V104-W108 HydrophobicContact CG2-CB 3.93Å; V104-W108 HydrophobicContact CG2-CD2 4.41Å; V104-W108 HydrophobicContact CG2-CE3 4.27Å; V104-W108 HydrophobicContact CG2-CG 4.31Å
105	P	96.9	Very high	83.6	Confident	68 Å²	68	66.9 Å²	66.9	44%	0.442	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	146.4	169.8	-24.1	34.9	0	0	0	111.8	S83 F84 Q85 G107 W108	S83-P105 WeakPolarHBondContact O-CA 3.48Å; F84-P105 HydrophobicContact CE1-CG 4.21Å; Q85-P105 PolarHBondContact NE2-O 3.05Å; P105-G107 PolarHBondContact O-N 2.89Å; P105-W108 WeakPolarHBondContact O-CB 3.41Å; P105-W108 PolarHBondContact O-N 3.12Å; P105-W108 VanDerWaalsContact O-N 3.11Å
106	V	93.4	Very high	82	Confident	92 Å²	92	69.5 Å²	69.5	56%	0.558	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	137.1	171	173.7	0	0	0	0	109.4	S83 Q85 W108	S83-V106 PolarHBondContact O-N 3.21Å; Q85-V106 HydrophobicContact CB-CG2 4.3Å; Q85-V106 HydrophobicContact CG-CG2 4.41Å; V106-W108 VanDerWaalsContact C-N 3.29Å; V106-W108 PolarHBondContact O-N 3.16Å
107	G	85.8	Confident	80.4	Confident	67 Å²	67	73.6 Å²	73.6	69%	0.691	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	1	-176	0	0	0	0	0	114.7	P105 S109	P105-G107 PolarHBondContact O-N 2.89Å; G107-S109 PolarHBondContact O-N 2.74Å
108	W	88.6	Confident	78.8	Confident	98 Å²	98	80.2 Å²	80.2	37%	0.371	44%	0.441	S	S	.	.			trans	-62.3	131.5	170.9	-175.9	88.9	0	0	0	111	I87 V104 P105 V106 P110	I87-W108 HydrophobicContact CD1-CE3 3.64Å; I87-W108 HydrophobicContact CD1-CH2 4.1Å; I87-W108 HydrophobicContact CD1-CZ3 3.28Å; V104-W108 HydrophobicContact CB-CB 3.96Å; V104-W108 HydrophobicContact CB-CD2 4.24Å; V104-W108 HydrophobicContact CB-CE3 4.49Å; V104-W108 HydrophobicContact CB-CG 4.01Å; V104-W108 HydrophobicContact CG1-CD2 4.15Å; V104-W108 HydrophobicContact CG1-CE3 4.28Å; V104-W108 HydrophobicContact CG1-CG 4.38Å; V104-W108 HydrophobicContact CG2-CB 3.93Å; V104-W108 HydrophobicContact CG2-CD2 4.41Å; V104-W108 HydrophobicContact CG2-CE3 4.27Å; V104-W108 HydrophobicContact CG2-CG 4.31Å; P105-W108 WeakPolarHBondContact O-CB 3.41Å; P105-W108 PolarHBondContact O-N 3.12Å; P105-W108 VanDerWaalsContact O-N 3.11Å; V106-W108 VanDerWaalsContact C-N 3.29Å; V106-W108 PolarHBondContact O-N 3.16Å; W108-P110 VanDerWaalsContact CH2-CA 3.48Å; W108-P110 HydrophobicContact CH2-CB 3.66Å; W108-P110 HydrophobicContact CZ3-CB 3.8Å; W108-P110 HydrophobicContact CZ3-CG 4.21Å
109	S	76.9	Confident	77.5	Confident	90 Å²	90	84.7 Å²	84.7	63%	0.629	46%	0.462	S	S	*	.			trans	-119.4	137.7	173.6	57.3	0	0	0	0	110.6	G107	G107-S109 PolarHBondContact O-N 2.74Å
110	P	71.8	Confident	76.4	Confident	59 Å²	59	82.6 Å²	82.6	38%	0.383	45%	0.446	S	S	.	.			trans	-66.7	150.2	174.2	26.6	-31.6	0	0	0	110.4	W108 I115	W108-P110 VanDerWaalsContact CH2-CA 3.48Å; W108-P110 HydrophobicContact CH2-CB 3.66Å; W108-P110 HydrophobicContact CZ3-CB 3.8Å; W108-P110 HydrophobicContact CZ3-CG 4.21Å; P110-I115 HydrophobicContact CB-CD1 4.46Å; P110-I115 HydrophobicContact CG-CD1 4.33Å
111	K	67	Low	75.4	Confident	147 Å²	147	84.4 Å²	84.4	64%	0.639	46%	0.455	S	S	*	.			trans	-65.8	140.5	171.4	-69.8	-179	179.4	178.3	0	109.1	E113 E114	K111-E113 PolarHBondContact O-N 2.8Å; K111-E114 HydrophobicContact CB-CG 4.49Å; K111-E114 PolarHBondContact O-N 3.38Å
112	P	54.6	Low	74.5	Confident	135 Å²	135	91.4 Å²	91.4	88%	0.877	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-19.9	-175.2	-25.7	32.8	0	0	0	115.5
113	E	50	Low	74.1	Confident	180 Å²	180	86.9 Å²	86.9	84%	0.841	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.9	-173.9	-66	166.1	174.4	0	0	113.8	K111	K111-E113 PolarHBondContact O-N 2.8Å
114	E	50.5	Low	73.8	Confident	104 Å²	104	87.6 Å²	87.6	49%	0.486	48%	0.476	S	S	.	.	S	Bend	trans	-91.1	-9.5	-164.9	-69.7	-175.5	173.2	0	0	115.7	K111 Q119	K111-E114 HydrophobicContact CB-CG 4.49Å; K111-E114 PolarHBondContact O-N 3.38Å; E114-Q119 PolarHBondContact O-OE1 3.01Å
115	I	56.1	Low	73.6	Confident	64 Å²	64	87.6 Å²	87.6	33%	0.328	48%	0.475	S	S	.	.			trans	-132.4	81.1	-176.6	-53.1	143.1	0	0	0	110	S91 P110	S91-I115 WeakPolarHBondContact OG-CD1 3.32Å; P110-I115 HydrophobicContact CB-CD1 4.46Å; P110-I115 HydrophobicContact CG-CD1 4.33Å
116	S	63.3	Low	73.4	Confident	54 Å²	54	84.9 Å²	84.9	38%	0.378	46%	0.456	S	S	.	.			trans	-68.7	144.2	169.2	-177.5	0	0	0	0	110.2	K118 Q119 R120	S116-K118 PolarHBondContact O-N 2.95Å; S116-K118 PolarHBondContact OG-N 3.31Å; S116-Q119 PolarHBondContact O-N 2.96Å; S116-R120 PolarHBondContact O-N 2.6Å
117	S	63	Low	73.3	Confident	86 Å²	86	84.4 Å²	84.4	60%	0.601	45%	0.45	S	S	*	.	H	α-helix	trans	-50.6	-32.7	171	53.9	0	0	0	0	112.6	Q119 R120 E121	S117-Q119 PolarHBondContact O-N 2.94Å; S117-R120 PolarHBondContact O-N 2.63Å; S117-E121 PolarHBondContact O-N 3.25Å
118	K	63.7	Low	73.6	Confident	151 Å²	151	81.8 Å²	81.8	66%	0.657	42%	0.422	S	S	*	.	H	α-helix	trans	-63.9	-36.8	176	-68	-175	178	-179.7	0	113.7	S116 Q122	S116-K118 PolarHBondContact O-N 2.95Å; S116-K118 PolarHBondContact OG-N 3.31Å; K118-Q122 WeakPolarHBondContact O-CG 3.29Å; K118-Q122 PolarHBondContact O-N 2.75Å
119	Q	68.7	Low	73.8	Confident	111 Å²	111	77.6 Å²	77.6	52%	0.519	41%	0.407	S	S	.	.	H	α-helix	trans	-71	-34.5	178.5	-72.6	166.8	-50.9	0	0	111.1	E114 S116 S117 Q122 S123	E114-Q119 PolarHBondContact O-OE1 3.01Å; S116-Q119 PolarHBondContact O-N 2.96Å; S117-Q119 PolarHBondContact O-N 2.94Å; Q119-Q122 CarbonylContact O-C 3.49Å; Q119-Q122 PolarHBondContact O-N 2.83Å; Q119-S123 PolarHBondContact O-N 2.87Å
120	R	71.9	Confident	74.4	Confident	51 Å²	51	78.9 Å²	78.9	19%	0.192	40%	0.402	C	S	.	.	H	α-helix	trans	-66	-42.1	176.1	-177	177.5	-95.7	-179.7	-8.4	112.2	S91 V92 S116 S117 Q122 S123 L176	S91-R120 PolarHBondContact O-NH2 2.78Å; V92-R120 HydrophobicContact CG2-CG 4.39Å; S116-R120 PolarHBondContact O-N 2.6Å; S117-R120 PolarHBondContact O-N 2.63Å; R120-Q122 PolarHBondContact O-N 2.9Å; R120-S123 WeakPolarHBondContact O-CB 3.38Å; R120-S123 PolarHBondContact O-N 3.38Å; R120-S123 VanDerWaalsContact O-N 3.12Å; R120-S123 PolarHBondContact O-OG 3.39Å; R120-L176 VanDerWaalsContact NH1-CG 3.34Å
121	E	74	Confident	75.3	Confident	48 Å²	48	83.8 Å²	83.8	22%	0.224	42%	0.42	C	S	.	.	H	α-helix	trans	-67.1	-15	176.8	-67.8	-175.8	-161.6	0	0	113.9	S117 W126 R203	S117-E121 PolarHBondContact O-N 3.25Å; E121-W126 HydrophobicContact CG-CH2 4.04Å; E121-W126 HydrophobicContact CG-CZ2 4.04Å; E121-W126 HydrophobicContact CG-CZ3 4.32Å; E121-R203 VanDerWaalsContact CD-NH1 3.34Å; E121-R203 IonicContact OE1-NH1 2.82Å; E121-R203 IonicContact OE2-CZ 3.29Å; E121-R203 IonicContact OE2-NH1 2.91Å; E121-R203 PolarHBondContact OE2-NH1 2.59Å; E121-R203 IonicContact OE2-NH2 2.75Å; E121-R203 PolarHBondContact OE2-NH2 2.82Å
122	Q	79	Confident	76.3	Confident	148 Å²	148	78.4 Å²	78.4	69%	0.692	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	5.8	176.1	-65.6	175.4	-0.8	0	0	112.5	K118 Q119 R120	K118-Q122 WeakPolarHBondContact O-CG 3.29Å; K118-Q122 PolarHBondContact O-N 2.75Å; Q119-Q122 CarbonylContact O-C 3.49Å; Q119-Q122 PolarHBondContact O-N 2.83Å; R120-Q122 PolarHBondContact O-N 2.9Å
123	S	87.6	Confident	77.5	Confident	11 Å²	11	77 Å²	77	8%	0.077	39%	0.391	C	S	.	.	S	Bend	trans	-64.1	147	175.9	65.3	0	0	0	0	110.9	Q119 R120 Y125 W126 L127	Q119-S123 PolarHBondContact O-N 2.87Å; R120-S123 WeakPolarHBondContact O-CB 3.38Å; R120-S123 PolarHBondContact O-N 3.38Å; R120-S123 VanDerWaalsContact O-N 3.12Å; R120-S123 PolarHBondContact O-OG 3.39Å; S123-Y125 PolarHBondContact O-N 3.34Å; S123-W126 WeakPolarHBondContact O-CB 3.36Å; S123-W126 PolarHBondContact O-N 2.8Å; S123-W126 WeakPolarHBondContact OG-CB 3.36Å; S123-W126 PolarHBondContact OG-N 3.28Å; S123-L127 PolarHBondContact O-N 3.44Å; S123-L127 VanDerWaalsContact O-N 3.17Å
124	L	91.1	Very high	78.5	Confident	69 Å²	69	71.9 Å²	71.9	36%	0.361	38%	0.379	S	S	.	.	H	α-helix	trans	-59.3	-34.4	174.7	-76.3	168.5	0	0	0	111.8	F4 R97 L127 A128	F4-L124 HydrophobicContact CE1-CD1 4.24Å; F4-L124 HydrophobicContact CZ-CD1 4.35Å; R97-L124 VanDerWaalsContact CZ-CD1 3.47Å; L124-L127 PolarHBondContact O-N 2.94Å; L124-A128 VanDerWaalsContact O-CB 3.28Å; L124-A128 WeakPolarHBondContact O-CB 3.46Å; L124-A128 PolarHBondContact O-N 2.85Å
125	Y	92.5	Very high	79.3	Confident	7 Å²	7	67.7 Å²	67.7	3%	0.027	36%	0.36	C	S	.	.	H	α-helix	trans	-53.9	-53.7	169.7	-177.6	-88.8	0	0	0	112	Y20 L22 V92 V94 D95 S123 L127 A128 I129	Y20-Y125 WeakPolarHBondContact O-CE2 3.38Å; Y20-Y125 PolarHBondContact O-OH 3.27Å; L22-Y125 HydrophobicContact CD1-CD2 4.42Å; L22-Y125 HydrophobicContact CG-CD2 3.91Å; V92-Y125 HydrophobicContact CG1-CD1 3.67Å; V92-Y125 HydrophobicContact CG1-CD2 3.96Å; V92-Y125 HydrophobicContact CG1-CE1 4.14Å; V92-Y125 HydrophobicContact CG1-CE2 4.44Å; V92-Y125 HydrophobicContact CG1-CG 3.58Å; V94-Y125 HydrophobicContact CB-CE2 4.12Å; V94-Y125 HydrophobicContact CG2-CD2 3.95Å; V94-Y125 HydrophobicContact CG2-CE1 4.22Å; V94-Y125 HydrophobicContact CG2-CE2 3.26Å; V94-Y125 VanDerWaalsContact CG2-CZ 3.42Å; D95-Y125 HydrophobicContact CB-CD2 4.3Å; S123-Y125 PolarHBondContact O-N 3.34Å; Y125-L127 VanDerWaalsContact C-N 3.31Å; Y125-L127 PolarHBondContact O-N 3Å; Y125-A128 PolarHBondContact O-N 2.75Å; Y125-I129 HydrophobicContact CD1-CG1 3.99Å; Y125-I129 HydrophobicContact CD2-CG1 4.35Å; Y125-I129 HydrophobicContact CE1-CD1 4.46Å; Y125-I129 HydrophobicContact CE1-CG1 3.52Å; Y125-I129 HydrophobicContact CE2-CD1 3.97Å; Y125-I129 HydrophobicContact CE2-CG1 3.88Å; Y125-I129 HydrophobicContact CG-CG1 4.37Å; Y125-I129 VanDerWaalsContact CZ-CG1 3.44Å; Y125-I129 WeakPolarHBondContact O-CG1 3.18Å; Y125-I129 PolarHBondContact O-N 2.97Å
126	W	91.6	Very high	79.4	Confident	10 Å²	10	68.7 Å²	68.7	4%	0.038	37%	0.371	C	S	.	.	H	α-helix	trans	-56.6	-46.6	-178.6	-175.5	-79.3	0	0	0	112.1	E121 S123 Q130 Y171 P173 C174	E121-W126 HydrophobicContact CG-CH2 4.04Å; E121-W126 HydrophobicContact CG-CZ2 4.04Å; E121-W126 HydrophobicContact CG-CZ3 4.32Å; S123-W126 WeakPolarHBondContact O-CB 3.36Å; S123-W126 PolarHBondContact O-N 2.8Å; S123-W126 WeakPolarHBondContact OG-CB 3.36Å; S123-W126 PolarHBondContact OG-N 3.28Å; W126-Q130 PolarHBondContact O-N 3.2Å; W126-Y171 AromaticContact CE2-CE1 3.84Å; W126-Y171 AromaticContact CH2-CD1 3.73Å; W126-Y171 HydrophobicContact CH2-CD1 3.73Å; W126-Y171 AromaticContact CH2-CE1 3.78Å; W126-Y171 HydrophobicContact CH2-CE1 3.78Å; W126-Y171 AromaticContact CZ2-CD1 3.73Å; W126-Y171 HydrophobicContact CZ2-CD1 3.73Å; W126-Y171 AromaticContact CZ2-CE1 3.26Å; W126-Y171 HydrophobicContact CZ2-CE1 3.26Å; W126-P173 HydrophobicContact CB-CB 4.46Å; W126-P173 HydrophobicContact CD2-CB 3.47Å; W126-P173 VanDerWaalsContact CD2-CB 3.47Å; W126-P173 HydrophobicContact CE3-CB 3.78Å; W126-P173 HydrophobicContact CG-CB 3.79Å; W126-P173 HydrophobicContact CZ2-CB 4.29Å; W126-P173 HydrophobicContact CZ3-CB 4.32Å; W126-C174 HydrophobicContact CH2-CB 3.81Å; W126-C174 HydrophobicContact CZ3-CB 3.53Å
127	L	91.8	Very high	79.2	Confident	82 Å²	82	69.8 Å²	69.8	43%	0.429	38%	0.375	S	S	.	.	H	α-helix	trans	-65.3	-40.7	179	-65.9	175.2	0	0	0	112.5	S123 L124 Y125 Q130	S123-L127 PolarHBondContact O-N 3.44Å; S123-L127 VanDerWaalsContact O-N 3.17Å; L124-L127 PolarHBondContact O-N 2.94Å; Y125-L127 VanDerWaalsContact C-N 3.31Å; Y125-L127 PolarHBondContact O-N 3Å; L127-Q130 PolarHBondContact O-N 3.5Å
128	A	92.7	Very high	78.9	Confident	13 Å²	13	68.8 Å²	68.8	11%	0.107	36%	0.36	C	S	.	.	H	α-helix	trans	-63.6	-49.7	178.6	0	0	0	0	0	111.2	I8 L22 L124 Y125 Q130 Q131 V132	I8-A128 HydrophobicContact CD1-CB 4.1Å; L22-A128 HydrophobicContact CD1-CB 4.15Å; L22-A128 HydrophobicContact CD2-CB 3.83Å; L124-A128 VanDerWaalsContact O-CB 3.28Å; L124-A128 WeakPolarHBondContact O-CB 3.46Å; L124-A128 PolarHBondContact O-N 2.85Å; Y125-A128 PolarHBondContact O-N 2.75Å; A128-Q130 VanDerWaalsContact C-N 3.26Å; A128-Q130 PolarHBondContact O-N 2.94Å; A128-Q131 PolarHBondContact O-N 3.39Å; A128-V132 WeakPolarHBondContact O-CG2 3.34Å; A128-V132 PolarHBondContact O-N 3.41Å
129	I	92.3	Very high	78.5	Confident	10 Å²	10	67.7 Å²	67.7	5%	0.051	36%	0.358	C	S	.	.	H	α-helix	trans	-63.4	-32.6	-178.4	-59.4	-44.4	0	0	0	112.1	Y20 Y125 Q131 V132 P172 P173	Y20-I129 HydrophobicContact CD2-CD1 4.04Å; Y20-I129 HydrophobicContact CG-CD1 4.07Å; Y125-I129 HydrophobicContact CD1-CG1 3.99Å; Y125-I129 HydrophobicContact CD2-CG1 4.35Å; Y125-I129 HydrophobicContact CE1-CD1 4.46Å; Y125-I129 HydrophobicContact CE1-CG1 3.52Å; Y125-I129 HydrophobicContact CE2-CD1 3.97Å; Y125-I129 HydrophobicContact CE2-CG1 3.88Å; Y125-I129 HydrophobicContact CG-CG1 4.37Å; Y125-I129 VanDerWaalsContact CZ-CG1 3.44Å; Y125-I129 WeakPolarHBondContact O-CG1 3.18Å; Y125-I129 PolarHBondContact O-N 2.97Å; I129-Q131 PolarHBondContact O-N 3.49Å; I129-V132 HydrophobicContact CD1-CG2 4.38Å; I129-V132 PolarHBondContact O-N 3.33Å; I129-P172 HydrophobicContact CG2-CB 4.1Å; I129-P173 HydrophobicContact CB-CB 4.38Å; I129-P173 HydrophobicContact CB-CG 4.31Å; I129-P173 HydrophobicContact CG2-CB 4.48Å; I129-P173 HydrophobicContact CG2-CG 4.15Å
130	Q	90.1	Very high	77.6	Confident	116 Å²	116	69.7 Å²	69.7	54%	0.542	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-24.7	176	-171.3	175.7	-27.7	0	0	113	W126 L127 A128 P173	W126-Q130 PolarHBondContact O-N 3.2Å; L127-Q130 PolarHBondContact O-N 3.5Å; A128-Q130 VanDerWaalsContact C-N 3.26Å; A128-Q130 PolarHBondContact O-N 2.94Å; Q130-P173 HydrophobicContact CB-CG 4.1Å
131	Q	89.1	Confident	76.8	Confident	162 Å²	162	73 Å²	73	76%	0.757	38%	0.38	S	S	*	.	H	α-helix	trans	-93.5	-11.9	178.8	-62.9	-177.1	37.8	0	0	113.2	A128 I129	A128-Q131 PolarHBondContact O-N 3.39Å; I129-Q131 PolarHBondContact O-N 3.49Å
132	V	87.9	Confident	75.7	Confident	35 Å²	35	75.5 Å²	75.5	21%	0.212	40%	0.395	C	S	.	.	S	Bend	trans	-67.5	123.7	176.1	178.2	0	0	0	0	108.2	I8 Y20 A128 I129	I8-V132 HydrophobicContact CD1-CG2 3.93Å; I8-V132 HydrophobicContact CG2-CG2 4.04Å; Y20-V132 HydrophobicContact CE1-CG1 4.12Å; Y20-V132 HydrophobicContact CE2-CG1 4.19Å; A128-V132 WeakPolarHBondContact O-CG2 3.34Å; A128-V132 PolarHBondContact O-N 3.41Å; I129-V132 HydrophobicContact CD1-CG2 4.38Å; I129-V132 PolarHBondContact O-N 3.33Å
133	P	81.3	Confident	74	Confident	106 Å²	106	77.9 Å²	77.9	69%	0.688	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-62	154.4	175.7	26.7	-33.7	0	0	0	110.4	D135	P133-D135 PolarHBondContact O-N 3.17Å
134	A	71.2	Confident	71.8	Confident	71 Å²	71	83.9 Å²	83.9	59%	0.587	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-56.3	134.5	173.2	0	0	0	0	0	109.9	P136	A134-P136 VanDerWaalsContact O-CD 3.26Å; A134-P136 WeakPolarHBondContact O-CD 3.5Å
135	D	66.8	Low	69.6	Low	17 Å²	17	82.3 Å²	82.3	9%	0.091	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-66.4	116.6	-177.5	-174.7	-15.1	0	0	0	109	R10 P133 V137 E138 E139	R10-D135 IonicContact CZ-OD2 2.81Å; R10-D135 VanDerWaalsContact CZ-OD2 3.29Å; R10-D135 IonicContact NE-OD2 3.51Å; R10-D135 PolarHBondContact NE-OD2 3.05Å; R10-D135 IonicContact NH2-OD2 3.75Å; R10-D135 PolarHBondContact NH2-OD2 3.44Å; P133-D135 PolarHBondContact O-N 3.17Å; D135-V137 PolarHBondContact O-N 3.34Å; D135-V137 VanDerWaalsContact O-N 3.13Å; D135-V137 VanDerWaalsContact OD1-CB 3.27Å; D135-V137 WeakPolarHBondContact OD1-CB 3.42Å; D135-V137 WeakPolarHBondContact OD1-CG2 3.32Å; D135-V137 PolarHBondContact OD1-N 3.18Å; D135-E138 HydrophobicContact CB-CB 4.19Å; D135-E138 HydrophobicContact CB-CG 3.96Å; D135-E138 WeakPolarHBondContact O-CB 3.47Å; D135-E138 PolarHBondContact O-N 2.92Å; D135-E139 PolarHBondContact O-N 3.48Å
136	P	58.5	Low	67.6	Low	85 Å²	85	91.3 Å²	91.3	55%	0.552	47%	0.465	S	S	*	.	H	α-helix	trans	-58.9	-26.7	179.1	-22.3	33.1	0	0	0	112.9	A134 E138 E139 Q140	A134-P136 VanDerWaalsContact O-CD 3.26Å; A134-P136 WeakPolarHBondContact O-CD 3.5Å; P136-E138 VanDerWaalsContact C-N 3.34Å; P136-E139 PolarHBondContact O-N 3.19Å; P136-Q140 PolarHBondContact O-N 3.29Å
137	V	57.8	Low	65.6	Low	77 Å²	77	93.3 Å²	93.3	47%	0.467	48%	0.479	S	S	.	.	H	α-helix	trans	-69.4	-34.5	176	-175.5	0	0	0	0	110.6	D135 Y141	D135-V137 PolarHBondContact O-N 3.34Å; D135-V137 VanDerWaalsContact O-N 3.13Å; D135-V137 VanDerWaalsContact OD1-CB 3.27Å; D135-V137 WeakPolarHBondContact OD1-CB 3.42Å; D135-V137 WeakPolarHBondContact OD1-CG2 3.32Å; D135-V137 PolarHBondContact OD1-N 3.18Å; V137-Y141 HydrophobicContact CG1-CD2 4.18Å; V137-Y141 WeakPolarHBondContact O-CB 3.16Å; V137-Y141 PolarHBondContact O-N 3.27Å
138	E	57.7	Low	63.8	Low	64 Å²	64	95.4 Å²	95.4	30%	0.299	48%	0.481	S	S	.	.	H	α-helix	trans	-67.4	-38.6	173.1	-74	-173	156	0	0	111.5	T18 D135 P136 Q140 L142	T18-E138 VanDerWaalsContact CB-OE1 3.24Å; T18-E138 WeakPolarHBondContact CB-OE1 3.14Å; T18-E138 PolarHBondContact N-OE1 2.86Å; T18-E138 PolarHBondContact OG1-OE1 3.39Å; D135-E138 HydrophobicContact CB-CB 4.19Å; D135-E138 HydrophobicContact CB-CG 3.96Å; D135-E138 WeakPolarHBondContact O-CB 3.47Å; D135-E138 PolarHBondContact O-N 2.92Å; P136-E138 VanDerWaalsContact C-N 3.34Å; E138-Q140 PolarHBondContact O-N 3.13Å; E138-L142 VanDerWaalsContact O-CD1 3.31Å; E138-L142 WeakPolarHBondContact O-CD1 3.28Å; E138-L142 VanDerWaalsContact O-CG 3.25Å; E138-L142 WeakPolarHBondContact O-CG 3.43Å
139	E	56	Low	62	Low	129 Å²	129	98.4 Å²	98.4	60%	0.603	49%	0.49	S	S	*	.	H	α-helix	trans	-67.7	-33.4	178.9	-73.1	-168.9	162.6	0	0	113.1	D135 P136	D135-E139 PolarHBondContact O-N 3.48Å; P136-E139 PolarHBondContact O-N 3.19Å
140	Q	49.8	Very low	60.4	Low	152 Å²	152	99.3 Å²	99.3	71%	0.71	49%	0.493	S	S	*	.	H	α-helix	trans	-91.9	-24.5	-176.2	-69.1	178.8	-13.7	0	0	114.3	P136 E138	P136-Q140 PolarHBondContact O-N 3.29Å; E138-Q140 PolarHBondContact O-N 3.13Å
141	Y	53.4	Low	58.9	Low	120 Å²	120	95.4 Å²	95.4	47%	0.471	48%	0.476	S	S	.	.			trans	-125.3	33.5	-171.6	-67.3	-86.4	0	0	0	114.2	V137 E143 L144 S145	V137-Y141 HydrophobicContact CG1-CD2 4.18Å; V137-Y141 WeakPolarHBondContact O-CB 3.16Å; V137-Y141 PolarHBondContact O-N 3.27Å; Y141-E143 PolarHBondContact O-N 3.2Å; Y141-E143 VanDerWaalsContact O-N 3.15Å; Y141-L144 HydrophobicContact CD1-CB 4.3Å; Y141-L144 HydrophobicContact CD1-CD1 3.68Å; Y141-L144 HydrophobicContact CE1-CD1 4.05Å; Y141-L144 PolarHBondContact O-N 2.9Å; Y141-L144 VanDerWaalsContact O-N 3.13Å; Y141-S145 PolarHBondContact O-N 3.42Å; Y141-S145 VanDerWaalsContact O-N 3.16Å; Y141-S145 PolarHBondContact O-OG 2.99Å
142	L	52.3	Low	57.3	Low	101 Å²	101	90.8 Å²	90.8	53%	0.529	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-32.6	173.7	-91.8	135.7	0	0	0	113.3	E138	E138-L142 VanDerWaalsContact O-CD1 3.31Å; E138-L142 WeakPolarHBondContact O-CD1 3.28Å; E138-L142 VanDerWaalsContact O-CG 3.25Å; E138-L142 WeakPolarHBondContact O-CG 3.43Å
143	E	42.3	Very low	55.9	Low	199 Å²	199	95.3 Å²	95.3	93%	0.93	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-23.4	-179.8	-74.8	177.3	166.7	0	0	114.3	Y141	Y141-E143 PolarHBondContact O-N 3.2Å; Y141-E143 VanDerWaalsContact O-N 3.15Å
144	L	42.7	Very low	54.8	Low	136 Å²	136	91.5 Å²	91.5	71%	0.712	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-4.8	-179.2	-78.7	166.8	0	0	0	113.4	Y141 R146	Y141-L144 HydrophobicContact CD1-CB 4.3Å; Y141-L144 HydrophobicContact CD1-CD1 3.68Å; Y141-L144 HydrophobicContact CE1-CD1 4.05Å; Y141-L144 PolarHBondContact O-N 2.9Å; Y141-L144 VanDerWaalsContact O-N 3.13Å; L144-R146 PolarHBondContact O-N 3.13Å
145	S	45	Very low	54.7	Low	37 Å²	37	93.5 Å²	93.5	26%	0.259	47%	0.465	S	S	.	.			trans	-77.4	68.3	178.5	-62.5	0	0	0	0	110.9	R13 Y141 T147	R13-S145 PolarHBondContact NH1-O 2.93Å; Y141-S145 PolarHBondContact O-N 3.42Å; Y141-S145 VanDerWaalsContact O-N 3.16Å; Y141-S145 PolarHBondContact O-OG 2.99Å; S145-T147 PolarHBondContact O-N 3.43Å
146	R	48.9	Very low	54.5	Low	196 Å²	196	97.7 Å²	97.7	74%	0.74	49%	0.488	S	S	*	.			trans	-46.1	109.1	169.7	-104.5	176.1	146.8	-161.6	-10.6	108.3	L144 R148 E158	L144-R146 PolarHBondContact O-N 3.13Å; R146-R148 PolarHBondContact O-N 2.9Å; R146-R148 VanDerWaalsContact O-N 3.12Å; R146-E158 IonicContact NH1-OE1 3.54Å; R146-E158 IonicContact NH2-OE1 2.93Å
147	T	49.3	Very low	54.9	Low	52 Å²	52	95.8 Å²	95.8	32%	0.319	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-59.3	117.9	170.4	-59.2	0	0	0	0	106.4	S145 Y149	S145-T147 PolarHBondContact O-N 3.43Å; T147-Y149 HydrophobicContact CG2-CE1 4.49Å; T147-Y149 VanDerWaalsContact O-CD2 3.22Å; T147-Y149 WeakPolarHBondContact O-CD2 3.28Å; T147-Y149 WeakPolarHBondContact O-CE2 3.34Å; T147-Y149 PolarHBondContact O-N 3.02Å
148	R	55.8	Low	54.9	Low	126 Å²	126	99.5 Å²	99.5	48%	0.475	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-75.1	121.6	175.4	-70.6	-179.8	-173.6	-179.6	1.2	108	R146 Y150 L156	R146-R148 PolarHBondContact O-N 2.9Å; R146-R148 VanDerWaalsContact O-N 3.12Å; R148-Y150 HydrophobicContact CB-CE2 3.91Å; R148-L156 HydrophobicContact CB-CD2 3.6Å; R148-L156 HydrophobicContact CG-CD2 3.91Å
149	Y	53.2	Low	54.7	Low	75 Å²	75	103.6 Å²	103.6	29%	0.294	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	143.9	174.4	-57.3	-88.1	0	0	0	108.9	T147 L156 V157	T147-Y149 HydrophobicContact CG2-CE1 4.49Å; T147-Y149 VanDerWaalsContact O-CD2 3.22Å; T147-Y149 WeakPolarHBondContact O-CD2 3.28Å; T147-Y149 WeakPolarHBondContact O-CE2 3.34Å; T147-Y149 PolarHBondContact O-N 3.02Å; Y149-L156 CarbonylContact O-C 3.55Å; Y149-L156 WeakPolarHBondContact O-CA 3.37Å; Y149-V157 PolarHBondContact O-N 2.84Å
150	Y	59.3	Low	54.2	Low	29 Å²	29	105.2 Å²	105.2	11%	0.114	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.7	177.9	-60.8	-90.3	0	0	0	109.6	V14 M40 R148 G154 E155 L156	V14-Y150 HydrophobicContact CG1-CE2 4.08Å; V14-Y150 HydrophobicContact CG2-CE2 4.41Å; M40-Y150 HydrophobicContact CB-CD2 4.42Å; R148-Y150 HydrophobicContact CB-CE2 3.91Å; Y150-G154 WeakPolarHBondContact CD1-O 3.43Å; Y150-E155 CarbonylContact C-O 3.6Å; Y150-E155 WeakPolarHBondContact CA-O 3.41Å; Y150-L156 HydrophobicContact CD1-CD2 3.88Å; Y150-L156 HydrophobicContact CD1-CG 4.24Å; Y150-L156 HydrophobicContact CE1-CD2 3.27Å; Y150-L156 HydrophobicContact CE1-CG 3.73Å; Y150-L156 HydrophobicContact CE2-CD2 4.2Å; Y150-L156 VanDerWaalsContact CZ-CD2 3.45Å
151	N	59.3	Low	53.7	Low	34 Å²	34	106 Å²	106	18%	0.182	52%	0.517	C	S	.	.			trans	-77.6	179.5	172.6	69.8	13	0	0	0	111.1	N153 G154 E155 V157	N151-N153 PolarHBondContact O-N 3.39Å; N151-N153 WeakPolarHBondContact OD1-CA 3.35Å; N151-N153 WeakPolarHBondContact OD1-CB 3.36Å; N151-N153 PolarHBondContact OD1-N 2.91Å; N151-G154 PolarHBondContact O-N 3.09Å; N151-G154 PolarHBondContact OD1-N 3.38Å; N151-E155 PolarHBondContact N-O 2.86Å; N151-E155 PolarHBondContact ND2-OE2 2.91Å; N151-E155 PolarHBondContact OD1-N 3.23Å; N151-V157 HydrophobicContact CB-CG1 3.92Å
152	A	53.9	Low	53.2	Low	65 Å²	65	106.7 Å²	106.7	54%	0.537	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.8	178.7	0	0	0	0	0	114.3	V42	V42-A152 WeakPolarHBondContact CB-O 3.39Å
153	N	59.1	Low	52.6	Low	130 Å²	130	104.1 Å²	104.1	70%	0.695	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	1.2	176.8	-55.9	-35.7	0	0	0	112.7	N151 E155	N151-N153 PolarHBondContact O-N 3.39Å; N151-N153 WeakPolarHBondContact OD1-CA 3.35Å; N151-N153 WeakPolarHBondContact OD1-CB 3.36Å; N151-N153 PolarHBondContact OD1-N 2.91Å; N153-E155 VanDerWaalsContact C-N 3.33Å; N153-E155 HydrophobicContact CB-CG 4.14Å
154	G	59.2	Low	52.8	Low	26 Å²	26	99 Å²	99	27%	0.268	51%	0.513	S	S	.	.	S	Bend	trans	77.3	14.9	-176.4	0	0	0	0	0	114.4	Y150 N151	Y150-G154 WeakPolarHBondContact CD1-O 3.43Å; N151-G154 PolarHBondContact O-N 3.09Å; N151-G154 PolarHBondContact OD1-N 3.38Å
155	E	67.8	Low	53.5	Low	113 Å²	113	95.4 Å²	95.4	53%	0.528	50%	0.497	S	S	.	.			trans	-90.2	145.6	178.5	-55	170.5	134.5	0	0	111.2	Y150 N151 N153	Y150-E155 CarbonylContact C-O 3.6Å; Y150-E155 WeakPolarHBondContact CA-O 3.41Å; N151-E155 PolarHBondContact N-O 2.86Å; N151-E155 PolarHBondContact ND2-OE2 2.91Å; N151-E155 PolarHBondContact OD1-N 3.23Å; N153-E155 VanDerWaalsContact C-N 3.33Å; N153-E155 HydrophobicContact CB-CG 4.14Å
156	L	62.4	Low	54.8	Low	106 Å²	106	95.2 Å²	95.2	56%	0.555	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	129.8	178.8	-73.4	168.8	0	0	0	111.7	R148 Y149 Y150	R148-L156 HydrophobicContact CB-CD2 3.6Å; R148-L156 HydrophobicContact CG-CD2 3.91Å; Y149-L156 CarbonylContact O-C 3.55Å; Y149-L156 WeakPolarHBondContact O-CA 3.37Å; Y150-L156 HydrophobicContact CD1-CD2 3.88Å; Y150-L156 HydrophobicContact CD1-CG 4.24Å; Y150-L156 HydrophobicContact CE1-CD2 3.27Å; Y150-L156 HydrophobicContact CE1-CG 3.73Å; Y150-L156 HydrophobicContact CE2-CD2 4.2Å; Y150-L156 VanDerWaalsContact CZ-CD2 3.45Å
157	V	68.1	Low	56.2	Low	45 Å²	45	89.1 Å²	89.1	27%	0.273	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.3	175.8	-62.3	0	0	0	0	111.8	Y149 N151	Y149-V157 PolarHBondContact O-N 2.84Å; N151-V157 HydrophobicContact CB-CG1 3.92Å
158	E	57.5	Low	58.1	Low	155 Å²	155	87.2 Å²	87.2	72%	0.724	46%	0.456	S	S	*	.			trans	-94.8	-17.8	-173.4	-66.1	-159.9	132.7	0	0	114.7	R146	R146-E158 IonicContact NH1-OE1 3.54Å; R146-E158 IonicContact NH2-OE1 2.93Å
159	E	52.7	Low	59.8	Low	149 Å²	149	81.2 Å²	81.2	70%	0.696	43%	0.433	S	S	*	.	S	Bend	trans	-126.3	147.5	-172.1	-73.5	-177.3	167.1	0	0	114.4	E161	E159-E161 PolarHBondContact O-N 2.95Å; E159-E161 VanDerWaalsContact O-N 3.13Å
160	E	47.1	Very low	61.6	Low	164 Å²	164	81 Å²	81	77%	0.766	44%	0.435	S	S	*	.			trans	-75.7	12.7	-172.1	-126.4	173	-161.5	0	0	114.2	C162	E160-C162 PolarHBondContact O-N 3.17Å
161	E	38.3	Very low	63.2	Low	169 Å²	169	80.3 Å²	80.3	79%	0.79	43%	0.432	S	S	*	.	S	Bend	trans	-79.4	87.2	-178.4	-72.9	-166.3	166	0	0	111.4	E159 S163	E159-E161 PolarHBondContact O-N 2.95Å; E159-E161 VanDerWaalsContact O-N 3.13Å; E161-S163 PolarHBondContact O-N 3.16Å
162	C	42.3	Very low	64.6	Low	134 Å²	134	81.7 Å²	81.7	91%	0.905	44%	0.443	S	S	*	.	S	Bend	trans	63.5	33.8	148.9	-130.7	0	0	0	0	118	E160	E160-C162 PolarHBondContact O-N 3.17Å
163	S	40.2	Very low	66.5	Low	46 Å²	46	78.8 Å²	78.8	32%	0.322	42%	0.418	S	S	.	.			trans	-104.2	117.8	169.8	73	0	0	0	0	111	E161 T165	E161-S163 PolarHBondContact O-N 3.16Å; S163-T165 PolarHBondContact O-N 3.16Å
164	C	46.2	Very low	67.9	Low	91 Å²	91	72.7 Å²	72.7	62%	0.615	39%	0.386	S	S	*	.			trans	-10.5	87	170.4	-61.3	0	0	0	0	115.6	Y166	C164-Y166 HydrophobicContact CB-CE2 4.19Å; C164-Y166 WeakPolarHBondContact O-CD2 3.35Å; C164-Y166 PolarHBondContact O-N 3.22Å
165	T	58.8	Low	69.3	Low	62 Å²	62	72.6 Å²	72.6	38%	0.38	38%	0.381	S	S	.	.			trans	-70.1	97.8	172.2	27.9	0	0	0	0	108.9	S163 Y167	S163-T165 PolarHBondContact O-N 3.16Å; T165-Y167 WeakPolarHBondContact O-CD2 3.28Å; T165-Y167 WeakPolarHBondContact O-CE2 3.29Å; T165-Y167 PolarHBondContact O-N 3.38Å; T165-Y167 WeakPolarHBondContact OG1-CE2 3.33Å; T165-Y167 PolarHBondContact OG1-OH 2.94Å; T165-Y167 VanDerWaalsContact OG1-OH 3.12Å
166	Y	71.8	Confident	70.2	Confident	32 Å²	32	70.2 Å²	70.2	13%	0.125	37%	0.372	C	S	.	.			trans	-65.5	110.9	166	-70.7	-75.2	0	0	0	108.8	M40 V42 G46 A49 C164 I177	M40-Y166 HydrophobicContact SD-CD2 4.13Å; M40-Y166 HydrophobicContact SD-CG 4.47Å; V42-Y166 HydrophobicContact CB-CE2 4.24Å; V42-Y166 HydrophobicContact CG1-CE2 3.7Å; V42-Y166 WeakPolarHBondContact CG1-OH 3.43Å; V42-Y166 HydrophobicContact CG2-CD2 4.07Å; V42-Y166 HydrophobicContact CG2-CE2 3.51Å; G46-Y166 PolarHBondContact O-OH 3.44Å; A49-Y166 HydrophobicContact CB-CD1 3.79Å; A49-Y166 HydrophobicContact CB-CD2 3.88Å; A49-Y166 HydrophobicContact CB-CE1 4.11Å; A49-Y166 HydrophobicContact CB-CE2 4.19Å; A49-Y166 HydrophobicContact CB-CG 3.68Å; C164-Y166 HydrophobicContact CB-CE2 4.19Å; C164-Y166 WeakPolarHBondContact O-CD2 3.35Å; C164-Y166 PolarHBondContact O-N 3.22Å; Y166-I177 HydrophobicContact CD1-CG2 4.06Å; Y166-I177 HydrophobicContact CG-CG2 4.28Å
167	Y	78.8	Confident	71.4	Confident	68 Å²	68	66 Å²	66	27%	0.267	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-88.7	133.5	177.5	-67.7	-72.3	0	0	0	110.6	T165 I177 E178 F184 R194	T165-Y167 WeakPolarHBondContact O-CD2 3.28Å; T165-Y167 WeakPolarHBondContact O-CE2 3.29Å; T165-Y167 PolarHBondContact O-N 3.38Å; T165-Y167 WeakPolarHBondContact OG1-CE2 3.33Å; T165-Y167 PolarHBondContact OG1-OH 2.94Å; T165-Y167 VanDerWaalsContact OG1-OH 3.12Å; Y167-I177 CarbonylContact O-C 3.53Å; Y167-I177 WeakPolarHBondContact O-CA 3.31Å; Y167-E178 VanDerWaalsContact CD2-OE2 3.29Å; Y167-E178 WeakPolarHBondContact CD2-OE2 3.17Å; Y167-E178 VanDerWaalsContact O-CB 3.32Å; Y167-E178 WeakPolarHBondContact O-CB 3.28Å; Y167-E178 PolarHBondContact O-N 3.19Å; Y167-F184 WeakPolarHBondContact O-CE2 3.38Å; Y167-R194 VanDerWaalsContact CE1-NH2 3.26Å; Y167-R194 VanDerWaalsContact CZ-CZ 3.42Å; Y167-R194 PolarHBondContact OH-NH2 3.45Å
168	E	88	Confident	72.1	Confident	13 Å²	13	64.2 Å²	64.2	6%	0.061	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-99.7	151.8	172	-164.3	-176.6	177.9	0	0	111.5	A15 K17 K19 H170 S175 L176 I177	A15-E168 HydrophobicContact CB-CB 3.88Å; K17-E168 WeakPolarHBondContact CE-OE1 3.45Å; K17-E168 WeakPolarHBondContact CE-OE2 3.27Å; K17-E168 VanDerWaalsContact NZ-CD 3.29Å; K17-E168 IonicContact NZ-OE1 2.67Å; K17-E168 PolarHBondContact NZ-OE1 2.94Å; K17-E168 IonicContact NZ-OE2 3.32Å; K19-E168 WeakPolarHBondContact CE-OE2 3.26Å; K19-E168 IonicContact NZ-OE1 3.7Å; K19-E168 PolarHBondContact NZ-OE1 2.99Å; K19-E168 IonicContact NZ-OE2 3.7Å; K19-E168 PolarHBondContact NZ-OE2 3.34Å; E168-H170 PolarHBondContact O-N 2.6Å; E168-S175 WeakPolarHBondContact OE1-CA 3.41Å; E168-L176 WeakPolarHBondContact CA-O 3.45Å; E168-L176 WeakPolarHBondContact CG-O 3.37Å; E168-I177 HydrophobicContact CB-CG1 4.2Å; E168-I177 HydrophobicContact CG-CG1 3.95Å
169	C	91	Very high	73.2	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-56.2	129.9	168.7	-173.6	0	0	0	0	110.2	K17 Y171 C174 L176 F184 C196	K17-C169 PolarHBondContact NZ-O 3.36Å; C169-Y171 VanDerWaalsContact C-N 3.32Å; C169-Y171 PolarHBondContact O-N 3.47Å; C169-C174 HydrophobicContact CB-CB 4.04Å; C169-L176 HydrophobicContact CB-CB 4.47Å; C169-L176 PolarHBondContact N-O 3.42Å; C169-F184 HydrophobicContact CB-CE2 4.21Å; C169-F184 VanDerWaalsContact N-CE2 3.32Å; C169-C196 HydrophobicContact CB-CB 4.27Å
170	H	91.8	Very high	74.2	Confident	70 Å²	70	67.1 Å²	67.1	32%	0.324	34%	0.336	S	S	.	.	S	Bend	trans	-68.7	-29.4	-176.9	-175.5	-90.1	0	0	0	112.8	E168 P172 A193 R194 Y195 D204 H208	E168-H170 PolarHBondContact O-N 2.6Å; H170-P172 WeakPolarHBondContact O-CD 3.1Å; H170-P172 VanDerWaalsContact O-N 3.16Å; H170-A193 HydrophobicContact CB-CB 4.24Å; H170-R194 VanDerWaalsContact CB-O 3.27Å; H170-R194 WeakPolarHBondContact CB-O 3.22Å; H170-R194 PolarHBondContact N-O 2.89Å; H170-Y195 HydrophobicContact CB-CD1 4.15Å; H170-Y195 HydrophobicContact CB-CE1 3.74Å; H170-D204 IonicContact CE1-OD2 3.68Å; H170-D204 PolarHBondContact CE1-OD2 3.39Å; H170-D204 VanDerWaalsContact CE1-OD2 3.32Å; H170-D204 IonicContact CG-OD2 3.85Å; H170-D204 IonicContact ND1-OD2 2.74Å; H170-D204 PolarHBondContact ND1-OD2 2.72Å; H170-H208 AromaticContact CE1-ND1 4Å
171	Y	92.1	Very high	75.5	Confident	15 Å²	15	66.3 Å²	66.3	6%	0.059	34%	0.336	C	S	.	.	S	Bend	trans	-61.4	118.4	178.6	-176.3	-125.6	0	0	0	110.2	K17 W126 C169 P173 C174 C200 R203 D204	K17-Y171 PolarHBondContact NZ-O 2.86Å; W126-Y171 AromaticContact CE2-CE1 3.84Å; W126-Y171 AromaticContact CH2-CD1 3.73Å; W126-Y171 HydrophobicContact CH2-CD1 3.73Å; W126-Y171 AromaticContact CH2-CE1 3.78Å; W126-Y171 HydrophobicContact CH2-CE1 3.78Å; W126-Y171 AromaticContact CZ2-CD1 3.73Å; W126-Y171 HydrophobicContact CZ2-CD1 3.73Å; W126-Y171 AromaticContact CZ2-CE1 3.26Å; W126-Y171 HydrophobicContact CZ2-CE1 3.26Å; C169-Y171 VanDerWaalsContact C-N 3.32Å; C169-Y171 PolarHBondContact O-N 3.47Å; Y171-P173 HydrophobicContact CD1-CB 4.35Å; Y171-P173 HydrophobicContact CD1-CG 4.3Å; Y171-P173 HydrophobicContact CE1-CB 3.89Å; Y171-P173 HydrophobicContact CE1-CG 3.66Å; Y171-P173 HydrophobicContact CE2-CG 4.32Å; Y171-C174 HydrophobicContact CD1-CB 4.25Å; Y171-C174 WeakPolarHBondContact O-CB 3.36Å; Y171-C174 PolarHBondContact O-N 2.83Å; Y171-C200 HydrophobicContact CD1-CB 4.49Å; Y171-C200 HydrophobicContact CG-CB 4.42Å; Y171-R203 HydrophobicContact CD2-CB 4.32Å; Y171-R203 HydrophobicContact CE1-CB 4.25Å; Y171-R203 HydrophobicContact CE2-CB 3.83Å; Y171-D204 HydrophobicContact CD2-CB 3.6Å; Y171-D204 HydrophobicContact CE2-CB 4.44Å; Y171-D204 HydrophobicContact CG-CB 4.3Å
172	P	90.6	Very high	77.3	Confident	62 Å²	62	68.8 Å²	68.8	40%	0.403	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-43.7	-165.1	-24.9	31.7	0	0	0	115.3	K17 I129 H170 C174	K17-P172 PolarHBondContact NZ-O 3.42Å; I129-P172 HydrophobicContact CG2-CB 4.1Å; H170-P172 WeakPolarHBondContact O-CD 3.1Å; H170-P172 VanDerWaalsContact O-N 3.16Å; P172-C174 PolarHBondContact O-N 3.27Å
173	P	91.8	Very high	79.4	Confident	4 Å²	4	67.3 Å²	67.3	3%	0.026	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.7	176.6	-26.8	38	0	0	0	115.1	W126 I129 Q130 Y171	W126-P173 HydrophobicContact CB-CB 4.46Å; W126-P173 HydrophobicContact CD2-CB 3.47Å; W126-P173 VanDerWaalsContact CD2-CB 3.47Å; W126-P173 HydrophobicContact CE3-CB 3.78Å; W126-P173 HydrophobicContact CG-CB 3.79Å; W126-P173 HydrophobicContact CZ2-CB 4.29Å; W126-P173 HydrophobicContact CZ3-CB 4.32Å; I129-P173 HydrophobicContact CB-CB 4.38Å; I129-P173 HydrophobicContact CB-CG 4.31Å; I129-P173 HydrophobicContact CG2-CB 4.48Å; I129-P173 HydrophobicContact CG2-CG 4.15Å; Q130-P173 HydrophobicContact CB-CG 4.1Å; Y171-P173 HydrophobicContact CD1-CB 4.35Å; Y171-P173 HydrophobicContact CD1-CG 4.3Å; Y171-P173 HydrophobicContact CE1-CB 3.89Å; Y171-P173 HydrophobicContact CE1-CG 3.66Å; Y171-P173 HydrophobicContact CE2-CG 4.32Å
174	C	90.4	Very high	81.8	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.02	31%	0.305	C	S	.	.			trans	-85.6	120.6	-175.3	-172.6	0	0	0	0	112.3	K17 W126 C169 Y171 P172	K17-C174 PolarHBondContact NZ-O 3.12Å; W126-C174 HydrophobicContact CH2-CB 3.81Å; W126-C174 HydrophobicContact CZ3-CB 3.53Å; C169-C174 HydrophobicContact CB-CB 4.04Å; Y171-C174 HydrophobicContact CD1-CB 4.25Å; Y171-C174 WeakPolarHBondContact O-CB 3.36Å; Y171-C174 PolarHBondContact O-N 2.83Å; P172-C174 PolarHBondContact O-N 3.27Å
175	S	87.9	Confident	84	Confident	23 Å²	23	65.2 Å²	65.2	16%	0.161	30%	0.297	C	S	.	.			trans	-95.8	16.4	179.6	69.7	0	0	0	0	114.1	E168	E168-S175 WeakPolarHBondContact OE1-CA 3.41Å
176	L	87.5	Confident	85.5	Confident	63 Å²	63	65.3 Å²	65.3	33%	0.33	29%	0.294	S	S	.	.			trans	-74.1	127.9	-177.8	-82.5	169.6	0	0	0	111.1	R120 E168 C169 F184 C196	R120-L176 VanDerWaalsContact NH1-CG 3.34Å; E168-L176 WeakPolarHBondContact CA-O 3.45Å; E168-L176 WeakPolarHBondContact CG-O 3.37Å; C169-L176 HydrophobicContact CB-CB 4.47Å; C169-L176 PolarHBondContact N-O 3.42Å; L176-F184 HydrophobicContact CB-CZ 3.99Å; L176-F184 WeakPolarHBondContact O-CE2 3.47Å; L176-F184 WeakPolarHBondContact O-CZ 3.32Å; L176-C196 HydrophobicContact CB-CB 4.16Å; L176-C196 HydrophobicContact CD1-CB 3.71Å
177	I	87	Confident	86.4	Confident	17 Å²	17	63.9 Å²	63.9	9%	0.087	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-109.6	137	173.6	-61.9	177.7	0	0	0	108.2	M40 A49 I51 Y166 Y167 E168 R179	M40-I177 HydrophobicContact CE-CD1 4.47Å; A49-I177 HydrophobicContact CB-CD1 4.46Å; A49-I177 HydrophobicContact CB-CG2 4.32Å; A49-I177 WeakPolarHBondContact O-CD1 3.06Å; I51-I177 HydrophobicContact CD1-CD1 3.81Å; I51-I177 HydrophobicContact CG1-CD1 3.87Å; Y166-I177 HydrophobicContact CD1-CG2 4.06Å; Y166-I177 HydrophobicContact CG-CG2 4.28Å; Y167-I177 CarbonylContact O-C 3.53Å; Y167-I177 WeakPolarHBondContact O-CA 3.31Å; E168-I177 HydrophobicContact CB-CG1 4.2Å; E168-I177 HydrophobicContact CG-CG1 3.95Å; I177-R179 PolarHBondContact O-N 3.48Å
178	E	83.4	Confident	86.9	Confident	9 Å²	9	63.6 Å²	63.6	4%	0.042	31%	0.306	C	S	.	.			trans	-62	128.1	-178.9	-161	178.6	-140.2	0	0	109.9	Y167 R180 R182 E183 F184	Y167-E178 VanDerWaalsContact CD2-OE2 3.29Å; Y167-E178 WeakPolarHBondContact CD2-OE2 3.17Å; Y167-E178 VanDerWaalsContact O-CB 3.32Å; Y167-E178 WeakPolarHBondContact O-CB 3.28Å; Y167-E178 PolarHBondContact O-N 3.19Å; E178-R180 WeakPolarHBondContact CG-O 3.38Å; E178-R182 VanDerWaalsContact OE1-C 3.23Å; E178-R182 WeakPolarHBondContact OE1-CA 3.18Å; E178-R182 PolarHBondContact OE1-N 3.17Å; E178-E183 HydrophobicContact CG-CB 3.81Å; E178-E183 PolarHBondContact OE1-N 2.84Å; E178-F184 HydrophobicContact CB-CD1 4.3Å; E178-F184 HydrophobicContact CB-CD2 4.09Å; E178-F184 HydrophobicContact CB-CE1 4.21Å; E178-F184 HydrophobicContact CB-CE2 3.97Å; E178-F184 HydrophobicContact CB-CG 4.25Å; E178-F184 HydrophobicContact CB-CZ 4.05Å; E178-F184 HydrophobicContact CG-CD1 4.06Å; E178-F184 HydrophobicContact CG-CD2 4.46Å; E178-F184 HydrophobicContact CG-CE1 4.33Å; E178-F184 HydrophobicContact CG-CG 4.14Å; E178-F184 VanDerWaalsContact N-CZ 3.31Å; E178-F184 PolarHBondContact OE1-N 2.82Å
179	R	79.1	Confident	86.9	Confident	164 Å²	164	69.4 Å²	69.4	62%	0.619	33%	0.328	S	S	*	.	S	Bend	trans	-95.1	-27.6	180	-56	-178	92.3	174.6	10.2	111.5	N47 I177 E183	N47-R179 PolarHBondContact O-NE 3.35Å; I177-R179 PolarHBondContact O-N 3.48Å; R179-E183 PolarHBondContact N-OE2 2.92Å
180	R	74.8	Confident	86.7	Confident	201 Å²	201	69.9 Å²	69.9	76%	0.758	33%	0.331	S	S	*	.	S	Bend	trans	-130.2	140.1	178.1	-62.5	-179.5	-175.7	147	0.4	110.4	E178 R182 E183	E178-R180 WeakPolarHBondContact CG-O 3.38Å; R180-R182 PolarHBondContact O-N 3.06Å; R180-E183 HydrophobicContact CB-CB 4.46Å; R180-E183 PolarHBondContact N-OE2 3.04Å; R180-E183 VanDerWaalsContact O-CB 3.22Å; R180-E183 WeakPolarHBondContact O-CB 3.4Å; R180-E183 PolarHBondContact O-N 3.2Å
181	L	73.6	Confident	86.4	Confident	147 Å²	147	71 Å²	71	77%	0.77	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	126.2	177.5	-66.5	174.2	0	0	0	111.6	E183	L181-E183 VanDerWaalsContact C-N 3.3Å; L181-E183 PolarHBondContact O-N 3.44Å
182	R	75.7	Confident	86	Confident	221 Å²	221	74.4 Å²	74.4	83%	0.834	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	22.6	178	-51.3	-179.3	176.4	-178.2	-0.1	115.2	E178 R180 F184	E178-R182 VanDerWaalsContact OE1-C 3.23Å; E178-R182 WeakPolarHBondContact OE1-CA 3.18Å; E178-R182 PolarHBondContact OE1-N 3.17Å; R180-R182 PolarHBondContact O-N 3.06Å; R182-F184 VanDerWaalsContact C-N 3.28Å
183	E	86.1	Confident	85.8	Confident	103 Å²	103	71.7 Å²	71.7	48%	0.481	34%	0.342	S	S	.	.			trans	-64.9	-32.2	165.2	174.1	-175.1	-167.5	0	0	111.6	E178 R179 R180 L181	E178-E183 HydrophobicContact CG-CB 3.81Å; E178-E183 PolarHBondContact OE1-N 2.84Å; R179-E183 PolarHBondContact N-OE2 2.92Å; R180-E183 HydrophobicContact CB-CB 4.46Å; R180-E183 PolarHBondContact N-OE2 3.04Å; R180-E183 VanDerWaalsContact O-CB 3.22Å; R180-E183 WeakPolarHBondContact O-CB 3.4Å; R180-E183 PolarHBondContact O-N 3.2Å; L181-E183 VanDerWaalsContact C-N 3.3Å; L181-E183 PolarHBondContact O-N 3.44Å
184	F	91.3	Very high	85.8	Confident	10 Å²	10	74.1 Å²	74.1	4%	0.044	35%	0.35	C	S	.	.	S	Bend	trans	-87.3	142.7	179.6	-72	5	0	0	0	112.6	Y167 C169 L176 E178 R182 I186 R194 Y195 C196	Y167-F184 WeakPolarHBondContact O-CE2 3.38Å; C169-F184 HydrophobicContact CB-CE2 4.21Å; C169-F184 VanDerWaalsContact N-CE2 3.32Å; L176-F184 HydrophobicContact CB-CZ 3.99Å; L176-F184 WeakPolarHBondContact O-CE2 3.47Å; L176-F184 WeakPolarHBondContact O-CZ 3.32Å; E178-F184 HydrophobicContact CB-CD1 4.3Å; E178-F184 HydrophobicContact CB-CD2 4.09Å; E178-F184 HydrophobicContact CB-CE1 4.21Å; E178-F184 HydrophobicContact CB-CE2 3.97Å; E178-F184 HydrophobicContact CB-CG 4.25Å; E178-F184 HydrophobicContact CB-CZ 4.05Å; E178-F184 HydrophobicContact CG-CD1 4.06Å; E178-F184 HydrophobicContact CG-CD2 4.46Å; E178-F184 HydrophobicContact CG-CE1 4.33Å; E178-F184 HydrophobicContact CG-CG 4.14Å; E178-F184 VanDerWaalsContact N-CZ 3.31Å; E178-F184 PolarHBondContact OE1-N 2.82Å; R182-F184 VanDerWaalsContact C-N 3.28Å; F184-I186 PolarHBondContact O-N 3.31Å; F184-R194 HydrophobicContact CB-CB 4.12Å; F184-R194 HydrophobicContact CD2-CB 4.36Å; F184-Y195 CarbonylContact C-O 3.6Å; F184-Y195 WeakPolarHBondContact CA-O 3.12Å; F184-Y195 WeakPolarHBondContact CB-O 3.32Å; F184-C196 HydrophobicContact CD1-CB 4.02Å; F184-C196 HydrophobicContact CE1-CB 3.67Å; F184-C196 HydrophobicContact CE2-CB 4.44Å; F184-C196 HydrophobicContact CZ-CB 3.9Å
185	N	91.9	Very high	85.9	Confident	82 Å²	82	74 Å²	74	44%	0.439	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	124.7	174.1	-70.3	-35.5	0	0	0	110.5	R194 Y195	N185-R194 CarbonylContact O-C 3.52Å; N185-R194 WeakPolarHBondContact O-CA 3.49Å; N185-Y195 PolarHBondContact N-O 3.26Å; N185-Y195 PolarHBondContact O-N 3.03Å
186	I	90.9	Very high	86.1	Confident	64 Å²	64	75 Å²	75	33%	0.328	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	135.6	175	-53.3	176.9	0	0	0	108.9	F184 G188 R194	F184-I186 PolarHBondContact O-N 3.31Å; I186-G188 PolarHBondContact O-N 2.96Å; I186-G188 VanDerWaalsContact O-N 3.12Å; I186-R194 HydrophobicContact CG1-CG 4.17Å
187	C	91.7	Very high	86.4	Confident	3 Å²	3	72.9 Å²	72.9	2%	0.02	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-57.7	117.9	174.3	177.6	0	0	0	0	110.9	R189 C190 Q191 A193 Y195	C187-R189 PolarHBondContact O-N 3.32Å; C187-R189 VanDerWaalsContact O-N 3.1Å; C187-C190 VanDerWaalsContact CB-SG 3.53Å; C187-C190 VanDerWaalsContact SG-SG 3.64Å; C187-Q191 WeakPolarHBondContact O-CA 3.46Å; C187-Q191 PolarHBondContact O-N 3.28Å; C187-Q191 PolarHBondContact O-NE2 3.36Å; C187-A193 HydrophobicContact CB-CB 4.22Å; C187-A193 PolarHBondContact N-O 3.06Å; C187-Y195 HydrophobicContact CB-CE2 4.4Å
188	G	89.2	Confident	86.7	Confident	61 Å²	61	75 Å²	75	63%	0.629	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-29.8	-178.9	0	0	0	0	0	114.9	I186 Q191	I186-G188 PolarHBondContact O-N 2.96Å; I186-G188 VanDerWaalsContact O-N 3.12Å; G188-Q191 VanDerWaalsContact C-NE2 3.3Å; G188-Q191 VanDerWaalsContact CA-NE2 3.3Å; G188-Q191 PolarHBondContact O-NE2 3.18Å
189	R	87	Confident	87.1	Confident	135 Å²	135	79.8 Å²	79.8	51%	0.509	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-57.1	-177.5	-174.6	176.5	-175.1	-162.4	3.3	112.6	C187 E214	C187-R189 PolarHBondContact O-N 3.32Å; C187-R189 VanDerWaalsContact O-N 3.1Å; R189-E214 WeakPolarHBondContact O-CA 3.17Å
190	C	86.7	Confident	87.9	Confident	10 Å²	10	72.1 Å²	72.1	7%	0.068	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-21.3	-175.4	70.4	0	0	0	0	114.3	C187 V192 R213 R215	C187-C190 VanDerWaalsContact CB-SG 3.53Å; C187-C190 VanDerWaalsContact SG-SG 3.64Å; C190-V192 WeakPolarHBondContact O-CG2 3.49Å; C190-V192 PolarHBondContact O-N 2.96Å; C190-V192 VanDerWaalsContact O-N 3.08Å; C190-R213 WeakPolarHBondContact CA-O 3.5Å; C190-R213 WeakPolarHBondContact CB-O 3.45Å; C190-R215 WeakPolarHBondContact O-CB 3.35Å
191	Q	85.1	Confident	88.8	Confident	93 Å²	93	65.2 Å²	65.2	44%	0.435	34%	0.336	S	S	.	.	S	Bend	trans	56	22.7	-176.2	-58	-66.6	-39.4	0	0	113.9	C187 G188	C187-Q191 WeakPolarHBondContact O-CA 3.46Å; C187-Q191 PolarHBondContact O-N 3.28Å; C187-Q191 PolarHBondContact O-NE2 3.36Å; G188-Q191 VanDerWaalsContact C-NE2 3.3Å; G188-Q191 VanDerWaalsContact CA-NE2 3.3Å; G188-Q191 PolarHBondContact O-NE2 3.18Å
192	V	83.5	Confident	89.8	Confident	88 Å²	88	64.9 Å²	64.9	53%	0.533	33%	0.331	S	S	.	.			trans	-119.1	-56	-179.2	175.2	0	0	0	0	111.1	C190 R194	C190-V192 WeakPolarHBondContact O-CG2 3.49Å; C190-V192 PolarHBondContact O-N 2.96Å; C190-V192 VanDerWaalsContact O-N 3.08Å; V192-R194 PolarHBondContact O-NH1 3.21Å
193	A	88.1	Confident	90.6	Very high	5 Å²	5	59.4 Å²	59.4	4%	0.041	31%	0.31	C	S	.	.			trans	-68.2	135	-178.6	0	0	0	0	0	111.3	H170 C187 Y195	H170-A193 HydrophobicContact CB-CB 4.24Å; C187-A193 HydrophobicContact CB-CB 4.22Å; C187-A193 PolarHBondContact N-O 3.06Å; A193-Y195 HydrophobicContact CB-CE2 3.86Å
194	R	91.4	Very high	91	Very high	55 Å²	55	54.9 Å²	54.9	21%	0.208	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.1	179.6	-68.3	178.4	179	81.7	-12.1	110.2	Y167 H170 F184 N185 I186 V192	Y167-R194 VanDerWaalsContact CE1-NH2 3.26Å; Y167-R194 VanDerWaalsContact CZ-CZ 3.42Å; Y167-R194 PolarHBondContact OH-NH2 3.45Å; H170-R194 VanDerWaalsContact CB-O 3.27Å; H170-R194 WeakPolarHBondContact CB-O 3.22Å; H170-R194 PolarHBondContact N-O 2.89Å; F184-R194 HydrophobicContact CB-CB 4.12Å; F184-R194 HydrophobicContact CD2-CB 4.36Å; N185-R194 CarbonylContact O-C 3.52Å; N185-R194 WeakPolarHBondContact O-CA 3.49Å; I186-R194 HydrophobicContact CG1-CG 4.17Å; V192-R194 PolarHBondContact O-NH1 3.21Å
195	Y	92.9	Very high	91.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.4	-179	-57.5	-86.3	0	0	0	110.3	H170 F184 N185 C187 A193 G197 C200 Q201 D204 H208	H170-Y195 HydrophobicContact CB-CD1 4.15Å; H170-Y195 HydrophobicContact CB-CE1 3.74Å; F184-Y195 CarbonylContact C-O 3.6Å; F184-Y195 WeakPolarHBondContact CA-O 3.12Å; F184-Y195 WeakPolarHBondContact CB-O 3.32Å; N185-Y195 PolarHBondContact N-O 3.26Å; N185-Y195 PolarHBondContact O-N 3.03Å; C187-Y195 HydrophobicContact CB-CE2 4.4Å; A193-Y195 HydrophobicContact CB-CE2 3.86Å; Y195-G197 PolarHBondContact O-N 2.96Å; Y195-C200 HydrophobicContact CD1-CB 4.16Å; Y195-Q201 HydrophobicContact CD1-CB 4Å; Y195-Q201 HydrophobicContact CD2-CB 3.74Å; Y195-Q201 HydrophobicContact CD2-CG 3.8Å; Y195-Q201 HydrophobicContact CE1-CB 4.3Å; Y195-Q201 HydrophobicContact CE2-CB 4.08Å; Y195-Q201 HydrophobicContact CE2-CG 3.73Å; Y195-Q201 HydrophobicContact CG-CB 3.7Å; Y195-Q201 HydrophobicContact CG-CG 4.27Å; Y195-D204 HydrophobicContact CE1-CB 3.74Å; Y195-D204 WeakPolarHBondContact CE1-OD2 3.37Å; Y195-D204 PolarHBondContact OH-OD2 2.85Å; Y195-H208 PolarHBondContact OH-CD2 3.46Å
196	C	91.7	Very high	91.1	Very high	43 Å²	43	59.1 Å²	59.1	29%	0.291	31%	0.308	S	S	.	.	S	Bend	trans	-63.5	-10.5	175.4	68	0	0	0	0	113.7	C169 L176 F184	C169-C196 HydrophobicContact CB-CB 4.27Å; L176-C196 HydrophobicContact CB-CB 4.16Å; L176-C196 HydrophobicContact CD1-CB 3.71Å; F184-C196 HydrophobicContact CD1-CB 4.02Å; F184-C196 HydrophobicContact CE1-CB 3.67Å; F184-C196 HydrophobicContact CE2-CB 4.44Å; F184-C196 HydrophobicContact CZ-CB 3.9Å
197	G	92.8	Very high	91	Very high	19 Å²	19	58.6 Å²	58.6	20%	0.196	31%	0.314	C	S	.	.	S	Bend	trans	179.4	169	176.9	0	0	0	0	0	112.1	Y195 Q199 C200 Q201	Y195-G197 PolarHBondContact O-N 2.96Å; G197-Q199 PolarHBondContact O-N 2.94Å; G197-C200 PolarHBondContact O-N 3.06Å; G197-Q201 PolarHBondContact O-N 3.01Å
198	S	93.1	Very high	90.9	Very high	62 Å²	62	59 Å²	59	43%	0.434	32%	0.315	S	S	.	.	H	α-helix	trans	-60.1	-31.1	-179.8	55.1	0	0	0	0	113.2	Q201 Q202	S198-Q201 WeakPolarHBondContact O-CB 3.46Å; S198-Q201 PolarHBondContact O-N 2.65Å; S198-Q202 VanDerWaalsContact O-CG 3.29Å; S198-Q202 WeakPolarHBondContact O-CG 3.31Å; S198-Q202 PolarHBondContact O-N 2.94Å
199	Q	93.6	Very high	91	Very high	109 Å²	109	61.3 Å²	61.3	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-62.5	-46.7	178.5	-62.5	-176.6	23.4	0	0	112.4	G197 Q201 Q202 R203	G197-Q199 PolarHBondContact O-N 2.94Å; Q199-Q201 VanDerWaalsContact C-N 3.32Å; Q199-Q201 PolarHBondContact O-N 3.18Å; Q199-Q202 PolarHBondContact O-N 3.35Å; Q199-R203 WeakPolarHBondContact O-CG 3.46Å; Q199-R203 PolarHBondContact O-N 3.46Å
200	C	94.2	Very high	91	Very high	4 Å²	4	62.8 Å²	62.8	3%	0.027	32%	0.318	C	S	.	.	H	α-helix	trans	-63.3	-39.6	176.1	-80	0	0	0	0	111.3	Y171 Y195 G197 R203 D204	Y171-C200 HydrophobicContact CD1-CB 4.49Å; Y171-C200 HydrophobicContact CG-CB 4.42Å; Y195-C200 HydrophobicContact CD1-CB 4.16Å; G197-C200 PolarHBondContact O-N 3.06Å; C200-R203 PolarHBondContact O-N 2.86Å; C200-D204 VanDerWaalsContact O-CB 3.26Å; C200-D204 WeakPolarHBondContact O-CB 3.2Å; C200-D204 PolarHBondContact O-N 3.32Å
201	Q	94.6	Very high	90.9	Very high	55 Å²	55	67.6 Å²	67.6	26%	0.257	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-44.2	175.9	-174	-178.7	15.4	0	0	112.3	Y195 G197 S198 Q199 D204 W205	Y195-Q201 HydrophobicContact CD1-CB 4Å; Y195-Q201 HydrophobicContact CD2-CB 3.74Å; Y195-Q201 HydrophobicContact CD2-CG 3.8Å; Y195-Q201 HydrophobicContact CE1-CB 4.3Å; Y195-Q201 HydrophobicContact CE2-CB 4.08Å; Y195-Q201 HydrophobicContact CE2-CG 3.73Å; Y195-Q201 HydrophobicContact CG-CB 3.7Å; Y195-Q201 HydrophobicContact CG-CG 4.27Å; G197-Q201 PolarHBondContact O-N 3.01Å; S198-Q201 WeakPolarHBondContact O-CB 3.46Å; S198-Q201 PolarHBondContact O-N 2.65Å; Q199-Q201 VanDerWaalsContact C-N 3.32Å; Q199-Q201 PolarHBondContact O-N 3.18Å; Q201-D204 PolarHBondContact O-N 3.37Å; Q201-W205 WeakPolarHBondContact O-CB 3.37Å; Q201-W205 PolarHBondContact O-N 3.41Å
202	Q	94.7	Very high	91.1	Very high	141 Å²	141	63.5 Å²	63.5	66%	0.659	32%	0.321	S	S	*	.	H	α-helix	trans	-65.3	-41.8	179.6	-72.7	171.4	21.9	0	0	112	S198 Q199 W205	S198-Q202 VanDerWaalsContact O-CG 3.29Å; S198-Q202 WeakPolarHBondContact O-CG 3.31Å; S198-Q202 PolarHBondContact O-N 2.94Å; Q199-Q202 PolarHBondContact O-N 3.35Å; Q202-W205 WeakPolarHBondContact O-CB 3.36Å; Q202-W205 PolarHBondContact O-N 3.33Å
203	R	93.1	Very high	91.2	Very high	106 Å²	106	68.9 Å²	68.9	40%	0.4	33%	0.332	S	S	.	.	H	α-helix	trans	-65.9	-37.8	176.7	-71	179.8	178.8	163.9	2.4	112.1	E121 Y171 Q199 C200 P206	E121-R203 VanDerWaalsContact CD-NH1 3.34Å; E121-R203 IonicContact OE1-NH1 2.82Å; E121-R203 IonicContact OE2-CZ 3.29Å; E121-R203 IonicContact OE2-NH1 2.91Å; E121-R203 PolarHBondContact OE2-NH1 2.59Å; E121-R203 IonicContact OE2-NH2 2.75Å; E121-R203 PolarHBondContact OE2-NH2 2.82Å; Y171-R203 HydrophobicContact CD2-CB 4.32Å; Y171-R203 HydrophobicContact CE1-CB 4.25Å; Y171-R203 HydrophobicContact CE2-CB 3.83Å; Q199-R203 WeakPolarHBondContact O-CG 3.46Å; Q199-R203 PolarHBondContact O-N 3.46Å; C200-R203 PolarHBondContact O-N 2.86Å; R203-P206 WeakPolarHBondContact O-CD 3.38Å
204	D	93.1	Very high	90.9	Very high	8 Å²	8	76.3 Å²	76.3	4%	0.043	37%	0.365	C	S	.	.	H	α-helix	trans	-79.1	-21.7	179.6	-163.6	42	0	0	0	113.9	H170 Y171 Y195 C200 Q201 P206 A207 H208	H170-D204 IonicContact CE1-OD2 3.68Å; H170-D204 PolarHBondContact CE1-OD2 3.39Å; H170-D204 VanDerWaalsContact CE1-OD2 3.32Å; H170-D204 IonicContact CG-OD2 3.85Å; H170-D204 IonicContact ND1-OD2 2.74Å; H170-D204 PolarHBondContact ND1-OD2 2.72Å; Y171-D204 HydrophobicContact CD2-CB 3.6Å; Y171-D204 HydrophobicContact CE2-CB 4.44Å; Y171-D204 HydrophobicContact CG-CB 4.3Å; Y195-D204 HydrophobicContact CE1-CB 3.74Å; Y195-D204 WeakPolarHBondContact CE1-OD2 3.37Å; Y195-D204 PolarHBondContact OH-OD2 2.85Å; C200-D204 VanDerWaalsContact O-CB 3.26Å; C200-D204 WeakPolarHBondContact O-CB 3.2Å; C200-D204 PolarHBondContact O-N 3.32Å; Q201-D204 PolarHBondContact O-N 3.37Å; D204-P206 VanDerWaalsContact C-N 3.34Å; D204-P206 VanDerWaalsContact O-N 3.15Å; D204-A207 PolarHBondContact O-N 2.82Å; D204-H208 PolarHBondContact O-N 2.81Å
205	W	93.6	Very high	89.9	Confident	105 Å²	105	81.4 Å²	81.4	40%	0.398	39%	0.385	S	S	.	.	H	α-helix	trans	-49.9	-42.2	-173.3	-177.4	-118.4	0	0	0	115.1	Q201 Q202 A207 H208 K209	Q201-W205 WeakPolarHBondContact O-CB 3.37Å; Q201-W205 PolarHBondContact O-N 3.41Å; Q202-W205 WeakPolarHBondContact O-CB 3.36Å; Q202-W205 PolarHBondContact O-N 3.33Å; W205-A207 PolarHBondContact O-N 2.84Å; W205-H208 AromaticContact CE3-CD2 3.94Å; W205-H208 AromaticContact CZ3-CD2 3.85Å; W205-H208 PolarHBondContact O-N 2.94Å; W205-K209 HydrophobicContact CD2-CB 3.91Å; W205-K209 HydrophobicContact CE3-CB 4.07Å; W205-K209 HydrophobicContact CH2-CB 3.89Å; W205-K209 HydrophobicContact CZ2-CB 3.72Å; W205-K209 HydrophobicContact CZ3-CB 4.06Å; W205-K209 VanDerWaalsContact O-CB 3.25Å; W205-K209 WeakPolarHBondContact O-CB 3.47Å; W205-K209 WeakPolarHBondContact O-CG 3.49Å; W205-K209 PolarHBondContact O-N 2.93Å
206	P	92.3	Very high	88.2	Confident	75 Å²	75	90.5 Å²	90.5	49%	0.487	42%	0.424	S	S	.	.	H	α-helix	trans	-57	-34.4	178	-25.2	36.1	0	0	0	114	R203 D204	R203-P206 WeakPolarHBondContact O-CD 3.38Å; D204-P206 VanDerWaalsContact C-N 3.34Å; D204-P206 VanDerWaalsContact O-N 3.15Å
207	A	88.6	Confident	86.3	Confident	54 Å²	54	99.8 Å²	99.8	45%	0.446	45%	0.453	S	S	.	.	H	α-helix	trans	-84.6	-54.1	175.5	0	0	0	0	0	110.9	D204 W205 K209 K210	D204-A207 PolarHBondContact O-N 2.82Å; W205-A207 PolarHBondContact O-N 2.84Å; A207-K209 VanDerWaalsContact C-N 3.33Å; A207-K209 PolarHBondContact O-N 3.03Å; A207-K210 WeakPolarHBondContact O-CB 3.28Å; A207-K210 WeakPolarHBondContact O-CG 3.41Å; A207-K210 PolarHBondContact O-N 2.86Å
208	H	89.7	Confident	84.3	Confident	12 Å²	12	105.2 Å²	105.2	6%	0.056	48%	0.482	C	S	.	.	H	α-helix	trans	-57.6	-39.9	-175	176.1	62.4	0	0	0	113.5	H170 Y195 D204 W205 K210 Q211 C212	H170-H208 AromaticContact CE1-ND1 4Å; Y195-H208 PolarHBondContact OH-CD2 3.46Å; D204-H208 PolarHBondContact O-N 2.81Å; W205-H208 AromaticContact CE3-CD2 3.94Å; W205-H208 AromaticContact CZ3-CD2 3.85Å; W205-H208 PolarHBondContact O-N 2.94Å; H208-K210 PolarHBondContact O-N 2.83Å; H208-Q211 CarbonylContact O-C 3.58Å; H208-Q211 PolarHBondContact O-N 3.01Å; H208-C212 WeakPolarHBondContact NE2-CB 3.43Å; H208-C212 PolarHBondContact NE2-SG 3.21Å; H208-C212 WeakPolarHBondContact O-CB 3.27Å; H208-C212 PolarHBondContact O-N 3.04Å
209	K	90.8	Very high	81.8	Confident	108 Å²	108	109.9 Å²	109.9	47%	0.47	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.7	-176.8	73.2	-172.8	-179.5	178.4	0	113.9	W205 A207 Q211	W205-K209 HydrophobicContact CD2-CB 3.91Å; W205-K209 HydrophobicContact CE3-CB 4.07Å; W205-K209 HydrophobicContact CH2-CB 3.89Å; W205-K209 HydrophobicContact CZ2-CB 3.72Å; W205-K209 HydrophobicContact CZ3-CB 4.06Å; W205-K209 VanDerWaalsContact O-CB 3.25Å; W205-K209 WeakPolarHBondContact O-CB 3.47Å; W205-K209 WeakPolarHBondContact O-CG 3.49Å; W205-K209 PolarHBondContact O-N 2.93Å; A207-K209 VanDerWaalsContact C-N 3.33Å; A207-K209 PolarHBondContact O-N 3.03Å; K209-Q211 VanDerWaalsContact C-N 3.3Å
210	K	88.5	Confident	79.4	Confident	167 Å²	167	108.8 Å²	108.8	73%	0.726	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-31.1	177.6	-58.5	178.6	-176.6	178.8	0	112	A207 H208	A207-K210 WeakPolarHBondContact O-CB 3.28Å; A207-K210 WeakPolarHBondContact O-CG 3.41Å; A207-K210 PolarHBondContact O-N 2.86Å; H208-K210 PolarHBondContact O-N 2.83Å
211	Q	84	Confident	76.8	Confident	111 Å²	111	116.8 Å²	116.8	52%	0.519	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.8	-10.6	-176.6	-59.8	175.9	6.9	0	0	112.6	H208 K209 R213	H208-Q211 CarbonylContact O-C 3.58Å; H208-Q211 PolarHBondContact O-N 3.01Å; K209-Q211 VanDerWaalsContact C-N 3.3Å; Q211-R213 PolarHBondContact O-N 3.33Å; Q211-R213 VanDerWaalsContact O-N 3.12Å
212	C	88.2	Confident	74.1	Confident	6 Å²	6	122.4 Å²	122.4	4%	0.041	58%	0.579	C	S	.	*			trans	-68.2	105.8	-179.9	-170	0	0	0	0	111.9	H208	H208-C212 WeakPolarHBondContact NE2-CB 3.43Å; H208-C212 PolarHBondContact NE2-SG 3.21Å; H208-C212 WeakPolarHBondContact O-CB 3.27Å; H208-C212 PolarHBondContact O-N 3.04Å
213	R	86.8	Confident	71.5	Confident	202 Å²	202	121.1 Å²	121.1	76%	0.762	59%	0.585	S	S	*	*			trans	-118.6	146.4	177.6	-62.5	-178	-175.6	-141	1.8	110.7	C190 Q211 R215	C190-R213 WeakPolarHBondContact CA-O 3.5Å; C190-R213 WeakPolarHBondContact CB-O 3.45Å; Q211-R213 PolarHBondContact O-N 3.33Å; Q211-R213 VanDerWaalsContact O-N 3.12Å; R213-R215 PolarHBondContact O-N 3.48Å
214	E	81.2	Confident	68.7	Low	160 Å²	160	123.3 Å²	123.3	75%	0.748	60%	0.6	S	S	*	*			trans	-66.3	126.4	177.8	-171.5	168.1	-166.9	0	0	110.3	R189 K216	R189-E214 WeakPolarHBondContact O-CA 3.17Å; E214-K216 PolarHBondContact O-N 2.84Å
215	R	70.9	Confident	66.4	Low	162 Å²	162	128 Å²	128	61%	0.611	63%	0.631	S	S	*	*			trans	-78	114.8	175.2	-164.5	171.8	-173.1	-172.2	0.7	107.3	C190 R213 R217	C190-R215 WeakPolarHBondContact O-CB 3.35Å; R213-R215 PolarHBondContact O-N 3.48Å; R215-R217 PolarHBondContact O-N 3.41Å; R215-R217 VanDerWaalsContact O-N 3.13Å
216	K	57	Low	64	Low	192 Å²	192	132.5 Å²	132.5	84%	0.835	66%	0.656	S	S	*	*			trans	-55	123	169.3	-71.8	-173.3	178.6	-178	0	107.1	E214 V218	E214-K216 PolarHBondContact O-N 2.84Å; K216-V218 PolarHBondContact O-N 2.86Å
217	R	52.6	Low	61.7	Low	238 Å²	238	143.5 Å²	143.5	90%	0.898	69%	0.688	S	S	*	*			trans	-54.5	111.9	170.7	-78.9	-179.1	177.7	176.5	-0.6	106.7	R215 L219	R215-R217 PolarHBondContact O-N 3.41Å; R215-R217 VanDerWaalsContact O-N 3.13Å; R217-L219 PolarHBondContact O-N 2.83Å; R217-L219 VanDerWaalsContact O-N 3.1Å
218	V	49.7	Very low	60.4	Low	132 Å²	132	148 Å²	148	80%	0.8	70%	0.7	S	S	*	*			trans	-64.6	111.5	160.8	-178.9	0	0	0	0	103.5	K216 A220	K216-V218 PolarHBondContact O-N 2.86Å; V218-A220 PolarHBondContact O-N 3.42Å
219	L	41.5	Very low	58.8	Low	161 Å²	161	155.1 Å²	155.1	84%	0.843	73%	0.734	S	S	*	*			trans	-50.6	117.1	169.6	-77	158.2	0	0	0	105.7	R217 L221	R217-L219 PolarHBondContact O-N 2.83Å; R217-L219 VanDerWaalsContact O-N 3.1Å; L219-L221 PolarHBondContact O-N 2.85Å
220	A	42.1	Very low	57	Low	85 Å²	85	157.7 Å²	157.7	70%	0.702	75%	0.749	S	S	*	*			trans	-54.2	117.5	173.4	0	0	0	0	0	106.3	V218 E222	V218-A220 PolarHBondContact O-N 3.42Å; A220-E222 VanDerWaalsContact C-N 3.29Å; A220-E222 PolarHBondContact O-N 2.92Å
221	L	40.8	Very low	55.2	Low	172 Å²	172	157.2 Å²	157.2	90%	0.901	75%	0.75	S	S	*	*			trans	-55.3	107.2	159.3	-92	144.7	0	0	0	104.7	L219 S223	L219-L221 PolarHBondContact O-N 2.85Å; L221-S223 PolarHBondContact O-N 3.01Å
222	E	36.8	Very low	53.4	Low	173 Å²	173	160.1 Å²	160.1	81%	0.808	77%	0.765	S	S	*	*			trans	-52.9	109.2	170	-65.5	178.7	151.7	0	0	106	A220 E224	A220-E222 VanDerWaalsContact C-N 3.29Å; A220-E222 PolarHBondContact O-N 2.92Å; E222-E224 VanDerWaalsContact C-N 3.31Å; E222-E224 PolarHBondContact O-N 3.46Å
223	S	41.2	Very low	51.1	Low	114 Å²	114	170.3 Å²	170.3	80%	0.797	81%	0.813	S	S	*	*			trans	-62.6	103.2	160.5	50.6	0	0	0	0	105.5	L221	L221-S223 PolarHBondContact O-N 3.01Å
224	E	33.1	Very low	48.5	Very low	152 Å²	152	168.1 Å²	168.1	71%	0.71	82%	0.817	S	S	*	*			trans	-43.2	133.9	170.1	-82.1	-85.3	124.8	0	0	109.3	E222 E226	E222-E224 VanDerWaalsContact C-N 3.31Å; E222-E224 PolarHBondContact O-N 3.46Å; E224-E226 PolarHBondContact O-N 3.11Å
225	P	45.4	Very low	46	Very low	106 Å²	106	168.7 Å²	168.7	69%	0.688	82%	0.822	S	S	*	*			trans	-64.5	121.6	176.2	25.6	-30	0	0	0	108.6	R227	P225-R227 PolarHBondContact O-N 3.49Å
226	E	43.3	Very low	43.9	Very low	200 Å²	200	169.3 Å²	169.3	94%	0.935	84%	0.839	S	S	*	*			trans	-48.7	123.7	170.8	-73.4	177.6	151.1	0	0	109.4	E224	E224-E226 PolarHBondContact O-N 3.11Å
227	R	43.8	Very low	42.7	Very low	306 Å²	306	167.2 Å²	167.2	100%	1.155	84%	0.84	S	S	*	*			trans	-108.5	0	174.8	-122.6	-166.9	-75.6	-175.6	-4.7	109.8	P225	P225-R227 PolarHBondContact O-N 3.49Å

Retrieved 227 of 227 residues in 62.2 ms (Link to these results)

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