A0A077ZFI5_TRITR Loading...

Ras domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFI5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 199 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	40.7	Very low	82.8	Confident	243 Å²	243	57.5 Å²	57.5	100%	1.197	33%	0.332	S	S	*	.				0	104.9	0	-62.8	178.8	-176.8	0	0	106.2	G3	M1-G3 PolarHBondContact O-N 3.17Å
2	S	56.4	Low	84.1	Confident	106 Å²	106	52.8 Å²	52.8	74%	0.741	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-68.7	119.6	169.6	52.6	0	0	0	0	106.4
3	G	68.5	Low	85	Confident	57 Å²	57	48.7 Å²	48.7	59%	0.588	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-57.3	164.7	174.2	0	0	0	0	0	110.7	M1	M1-G3 PolarHBondContact O-N 3.17Å
4	K	82.8	Confident	85.8	Confident	130 Å²	130	45.2 Å²	45.2	57%	0.565	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-48.5	131.7	172	-174.1	177.8	-176.8	174.8	0	109.4	D182	K4-D182 WeakPolarHBondContact CE-OD1 3.29Å; K4-D182 VanDerWaalsContact NZ-CG 3.3Å; K4-D182 IonicContact NZ-OD1 2.94Å; K4-D182 PolarHBondContact NZ-OD1 3.09Å; K4-D182 IonicContact NZ-OD2 2.67Å
5	P	89.3	Confident	86.4	Confident	41 Å²	41	44 Å²	44	27%	0.266	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-63.5	141.2	-178	25.9	-33.9	0	0	0	110.4	V7 N55 L57	P5-V7 PolarHBondContact O-N 2.88Å; P5-N55 CarbonylContact C-O 3.59Å; P5-N55 VanDerWaalsContact CA-O 3.29Å; P5-N55 WeakPolarHBondContact CA-O 3.27Å; P5-N55 HydrophobicContact CB-CB 4.47Å; P5-L57 HydrophobicContact CB-CB 4.02Å; P5-L57 HydrophobicContact CG-CB 4.36Å
6	C	91.8	Very high	86.8	Confident	9 Å²	9	45.8 Å²	45.8	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	117.3	171.9	177.4	0	0	0	0	109	I54 N55 L56 L57 F178	C6-I54 HydrophobicContact CB-CG2 4.32Å; C6-N55 PolarHBondContact N-O 3.21Å; C6-L56 HydrophobicContact CB-CD2 4.01Å; C6-L56 WeakPolarHBondContact O-CA 3.26Å; C6-L57 PolarHBondContact O-N 3.28Å; C6-F178 HydrophobicContact CB-CD1 3.73Å; C6-F178 HydrophobicContact CB-CE1 3.5Å; C6-F178 VanDerWaalsContact CB-CE1 3.5Å; C6-F178 WeakPolarHBondContact SG-CD1 3.44Å; C6-F178 WeakPolarHBondContact SG-CE1 3.46Å
7	V	94.3	Very high	87.2	Confident	15 Å²	15	46.2 Å²	46.2	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	127.9	179	-173.1	0	0	0	0	109.8	P5 L57 Q59 R181	P5-V7 PolarHBondContact O-N 2.88Å; V7-L57 WeakPolarHBondContact CA-O 3.49Å; V7-L57 HydrophobicContact CG2-CB 4.44Å; V7-L57 HydrophobicContact CG2-CD2 4.25Å; V7-Q59 HydrophobicContact CG1-CG 4.04Å; V7-R181 PolarHBondContact O-NH1 3.18Å
8	T	95.9	Very high	87.8	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	156.9	-178.1	58.1	0	0	0	0	110.3	L56 L57 Q59 D81 M168 I172	T8-L56 HydrophobicContact CG2-CD2 3.9Å; T8-L57 PolarHBondContact N-O 3.01Å; T8-L57 PolarHBondContact OG1-O 2.96Å; T8-Q59 VanDerWaalsContact O-CB 3.29Å; T8-Q59 WeakPolarHBondContact O-CB 3.42Å; T8-Q59 PolarHBondContact O-N 2.93Å; T8-D81 WeakPolarHBondContact CA-OD2 3.38Å; T8-M168 HydrophobicContact CG2-CE 3.99Å; T8-M168 HydrophobicContact CG2-SD 4.21Å; T8-M168 VanDerWaalsContact OG1-CE 3.22Å; T8-M168 WeakPolarHBondContact OG1-CE 3.47Å; T8-I172 HydrophobicContact CG2-CD1 3.35Å
9	K	96.4	Very high	88.2	Confident	28 Å²	28	42.2 Å²	42.2	12%	0.122	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.5	-177.7	-177.3	176.1	173.4	-174.9	0	111.6	Y76 R78 D81 A82	K9-Y76 WeakPolarHBondContact CE-O 3.47Å; K9-Y76 PolarHBondContact NZ-O 3.46Å; K9-R78 PolarHBondContact NZ-O 3.03Å; K9-D81 PolarHBondContact N-OD2 3.3Å; K9-D81 PolarHBondContact O-N 2.96Å; K9-A82 PolarHBondContact O-N 3.33Å; K9-A82 VanDerWaalsContact O-N 3.1Å
10	L	97.8	Very high	88.6	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.1	175.1	-178.4	149.3	0	0	0	109.8	L12 I58 Q59 I60 W61 A82 L84 F161 T164	L10-L12 HydrophobicContact CD2-CD1 3.52Å; L10-L12 HydrophobicContact CD2-CG 4.23Å; L10-I58 HydrophobicContact CB-CG2 3.68Å; L10-Q59 PolarHBondContact N-O 3.28Å; L10-Q59 VanDerWaalsContact O-O 3.11Å; L10-I60 HydrophobicContact CD2-CG1 4.35Å; L10-I60 HydrophobicContact CD2-CG2 3.98Å; L10-I60 CarbonylContact O-C 3.41Å; L10-I60 WeakPolarHBondContact O-CA 3.46Å; L10-W61 PolarHBondContact O-N 3.21Å; L10-A82 VanDerWaalsContact CA-O 3.28Å; L10-A82 WeakPolarHBondContact CA-O 3.29Å; L10-A82 HydrophobicContact CB-CB 4.34Å; L10-A82 HydrophobicContact CD1-CB 4.08Å; L10-A82 HydrophobicContact CG-CB 4.19Å; L10-L84 HydrophobicContact CD1-CD2 4.48Å; L10-L84 HydrophobicContact CD1-CG 4.26Å; L10-L84 HydrophobicContact CD2-CD1 4.29Å; L10-L84 HydrophobicContact CD2-CG 4.18Å; L10-L84 HydrophobicContact CG-CG 4.49Å; L10-F161 HydrophobicContact CD1-CE1 4.49Å; L10-T164 HydrophobicContact CD1-CG2 4.04Å
11	V	97.3	Very high	88.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.1	174	-56.5	0	0	0	0	110.5	V13 W61 Y76 Y77 T80 A82 A83 L84 L105	V11-V13 HydrophobicContact CG2-CG1 4.37Å; V11-W61 WeakPolarHBondContact CA-O 3.45Å; V11-W61 HydrophobicContact CG1-CB 4.12Å; V11-Y76 WeakPolarHBondContact CG1-O 3.36Å; V11-Y77 HydrophobicContact CG2-CD1 4.38Å; V11-T80 HydrophobicContact CB-CG2 4.43Å; V11-T80 HydrophobicContact CG1-CG2 3.96Å; V11-T80 VanDerWaalsContact CG1-OG1 3.28Å; V11-T80 WeakPolarHBondContact CG1-OG1 2.94Å; V11-T80 HydrophobicContact CG2-CG2 3.82Å; V11-A82 PolarHBondContact N-O 2.66Å; V11-A83 HydrophobicContact CG2-CB 3.76Å; V11-A83 CarbonylContact O-C 3.57Å; V11-A83 WeakPolarHBondContact O-CA 3.47Å; V11-L84 PolarHBondContact O-N 3.12Å; V11-L105 HydrophobicContact CG2-CD2 4.24Å
12	L	97.7	Very high	91.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.3	167.3	-66	87.6	0	0	0	108.9	L10 K20 I23 V24 I60 W61 T63 L84 V86	L10-L12 HydrophobicContact CD2-CD1 3.52Å; L10-L12 HydrophobicContact CD2-CG 4.23Å; L12-K20 HydrophobicContact CB-CB 4.23Å; L12-K20 HydrophobicContact CB-CD 4.26Å; L12-K20 HydrophobicContact CB-CG 4.45Å; L12-K20 HydrophobicContact CD2-CB 4.29Å; L12-I23 HydrophobicContact CD2-CB 4.48Å; L12-I23 HydrophobicContact CD2-CG2 4.14Å; L12-V24 HydrophobicContact CD1-CG2 3.49Å; L12-V24 VanDerWaalsContact CD1-CG2 3.49Å; L12-V24 HydrophobicContact CD2-CG2 3.58Å; L12-V24 HydrophobicContact CG-CG2 4.17Å; L12-I60 HydrophobicContact CD1-CG2 3.43Å; L12-I60 VanDerWaalsContact CD1-CG2 3.43Å; L12-W61 PolarHBondContact N-O 3.1Å; L12-T63 WeakPolarHBondContact O-CB 3.48Å; L12-T63 WeakPolarHBondContact O-CG2 3.45Å; L12-T63 PolarHBondContact O-N 2.83Å; L12-T63 PolarHBondContact O-OG1 3.18Å; L12-L84 WeakPolarHBondContact CA-O 3.34Å; L12-L84 HydrophobicContact CD2-CD1 4.23Å; L12-L84 HydrophobicContact CG-CB 4.16Å; L12-L84 HydrophobicContact CG-CD1 4.21Å; L12-L84 HydrophobicContact CG-CG 4.48Å; L12-V86 HydrophobicContact CD2-CG2 4.42Å
13	V	96.1	Very high	93.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	163.9	177.2	-61.5	0	0	0	0	110.6	V11 K20 T63 Y77 L84 I85 V86 W101 L105	V11-V13 HydrophobicContact CG2-CG1 4.37Å; V13-K20 VanDerWaalsContact C-CD 3.42Å; V13-K20 WeakPolarHBondContact O-CD 3.49Å; V13-T63 HydrophobicContact CG1-CG2 4.48Å; V13-Y77 HydrophobicContact CG1-CE1 3.55Å; V13-L84 PolarHBondContact N-O 3.13Å; V13-I85 HydrophobicContact CG2-CB 4.28Å; V13-I85 HydrophobicContact CG2-CG1 3.88Å; V13-I85 HydrophobicContact CG2-CG2 4.25Å; V13-V86 PolarHBondContact O-N 3.2Å; V13-W101 HydrophobicContact CB-CD2 4.28Å; V13-W101 HydrophobicContact CB-CE3 3.85Å; V13-W101 HydrophobicContact CB-CZ3 4.17Å; V13-W101 HydrophobicContact CG1-CE3 4.42Å; V13-W101 HydrophobicContact CG1-CZ3 4.5Å; V13-W101 HydrophobicContact CG2-CB 4.31Å; V13-W101 HydrophobicContact CG2-CD2 4.46Å; V13-W101 HydrophobicContact CG2-CE3 4.24Å; V13-L105 HydrophobicContact CG2-CD1 3.96Å
14	G	96.2	Very high	94.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.138	C	C	.	.			trans	138.8	167	-177.5	0	0	0	0	0	112	K20 G65	G14-K20 PolarHBondContact O-NZ 3.01Å; G14-G65 WeakPolarHBondContact O-CA 3.45Å
15	P	94.5	Very high	95.4	Very high	27 Å²	27	18.8 Å²	18.8	18%	0.175	13%	0.127	C	C	.	.			trans	-57.5	168.2	-178.3	-26	37	0	0	0	114.6	V18 K20 A97	P15-V18 HydrophobicContact CB-CG1 4.03Å; P15-V18 HydrophobicContact CG-CG1 4.41Å; P15-V18 VanDerWaalsContact O-CG2 3.27Å; P15-V18 WeakPolarHBondContact O-CG2 3.14Å; P15-K20 PolarHBondContact O-NZ 3.01Å; P15-A97 HydrophobicContact CG-CB 3.81Å
16	T	93.4	Very high	95.7	Very high	73 Å²	73	20.8 Å²	20.8	45%	0.448	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	144.1	172.7	-63	0	0	0	0	110.7	V18 G65 Q66	T16-V18 VanDerWaalsContact C-N 3.29Å; T16-V18 PolarHBondContact O-N 3.32Å; T16-G65 PolarHBondContact N-O 2.9Å; T16-G65 PolarHBondContact OG1-O 2.84Å; T16-Q66 HydrophobicContact CG2-CG 4.27Å; T16-Q66 WeakPolarHBondContact OG1-CA 3.42Å; T16-Q66 VanDerWaalsContact OG1-CG 3.26Å; T16-Q66 WeakPolarHBondContact OG1-CG 3.46Å; T16-Q66 PolarHBondContact OG1-N 2.81Å
17	G	93.8	Very high	95.9	Very high	53 Å²	53	21.9 Å²	21.9	55%	0.546	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-2	172.4	0	0	0	0	0	116.2	G19 K121	G17-G19 VanDerWaalsContact C-N 3.27Å; G17-G19 PolarHBondContact O-N 3.35Å; G17-K121 VanDerWaalsContact O-CE 3.29Å; G17-K121 WeakPolarHBondContact O-CE 3.47Å; G17-K121 PolarHBondContact O-NZ 3.48Å
18	V	96.7	Very high	95.7	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	14%	0.137	C	C	.	.	S	Bend	trans	-74.1	-16.3	177.1	-55.3	0	0	0	0	113.6	P15 T16 K20 V86 D88 N120	P15-V18 HydrophobicContact CB-CG1 4.03Å; P15-V18 HydrophobicContact CG-CG1 4.41Å; P15-V18 VanDerWaalsContact O-CG2 3.27Å; P15-V18 WeakPolarHBondContact O-CG2 3.14Å; T16-V18 VanDerWaalsContact C-N 3.29Å; T16-V18 PolarHBondContact O-N 3.32Å; V18-K20 HydrophobicContact CG2-CD 4.44Å; V18-K20 HydrophobicContact CG2-CG 3.76Å; V18-V86 HydrophobicContact CB-CG1 4.23Å; V18-V86 HydrophobicContact CG2-CB 3.9Å; V18-V86 HydrophobicContact CG2-CG1 3.81Å; V18-D88 HydrophobicContact CB-CB 4.36Å; V18-D88 HydrophobicContact CG1-CB 4.24Å; V18-N120 PolarHBondContact O-ND2 2.68Å
19	G	96.9	Very high	95.4	Very high	13 Å²	13	25.6 Å²	25.6	13%	0.134	17%	0.166	C	C	.	.			trans	100.3	23.8	173	0	0	0	0	0	116.4	G17 T21 S22 I23	G17-G19 VanDerWaalsContact C-N 3.27Å; G17-G19 PolarHBondContact O-N 3.35Å; G19-T21 PolarHBondContact O-N 3.21Å; G19-S22 WeakPolarHBondContact O-CB 3.43Å; G19-S22 PolarHBondContact O-N 2.8Å; G19-S22 VanDerWaalsContact O-N 3.17Å; G19-I23 WeakPolarHBondContact O-CG1 3.32Å; G19-I23 PolarHBondContact O-N 3.24Å
20	K	96.2	Very high	94.8	Very high	11 Å²	11	25.4 Å²	25.4	5%	0.048	17%	0.172	C	C	.	.	H	α-helix	trans	-52.3	-53.6	176.1	-56.8	-173.3	-60.7	-74.4	0	112.6	L12 V13 G14 P15 V18 S22 I23 V24 D62 T63 V86	L12-K20 HydrophobicContact CB-CB 4.23Å; L12-K20 HydrophobicContact CB-CD 4.26Å; L12-K20 HydrophobicContact CB-CG 4.45Å; L12-K20 HydrophobicContact CD2-CB 4.29Å; V13-K20 VanDerWaalsContact C-CD 3.42Å; V13-K20 WeakPolarHBondContact O-CD 3.49Å; G14-K20 PolarHBondContact O-NZ 3.01Å; P15-K20 PolarHBondContact O-NZ 3.01Å; V18-K20 HydrophobicContact CG2-CD 4.44Å; V18-K20 HydrophobicContact CG2-CG 3.76Å; K20-S22 VanDerWaalsContact C-N 3.32Å; K20-S22 PolarHBondContact O-N 3.48Å; K20-I23 WeakPolarHBondContact O-CB 3.25Å; K20-I23 PolarHBondContact O-N 3.37Å; K20-V24 PolarHBondContact O-N 3.16Å; K20-D62 WeakPolarHBondContact CB-OD1 3.5Å; K20-T63 WeakPolarHBondContact CE-O 3.26Å; K20-V86 HydrophobicContact CG-CB 3.96Å; K20-V86 HydrophobicContact CG-CG2 3.99Å
21	T	95.4	Very high	94.2	Very high	36 Å²	36	27.8 Å²	27.8	22%	0.221	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-43.4	176.4	-45.1	0	0	0	0	111.6	G19 I23 V24 T25 L36 T39 D62	G19-T21 PolarHBondContact O-N 3.21Å; T21-I23 VanDerWaalsContact C-N 3.35Å; T21-I23 PolarHBondContact O-N 2.7Å; T21-V24 PolarHBondContact O-N 3.23Å; T21-T25 WeakPolarHBondContact O-CB 3.43Å; T21-T25 PolarHBondContact O-N 3.27Å; T21-T25 PolarHBondContact O-OG1 3.08Å; T21-L36 HydrophobicContact CG2-CD1 4.22Å; T21-T39 PolarHBondContact OG1-OG1 3.42Å; T21-D62 VanDerWaalsContact CA-OD2 3.31Å; T21-D62 WeakPolarHBondContact CA-OD2 3.48Å; T21-D62 VanDerWaalsContact CB-OD2 3.26Å; T21-D62 WeakPolarHBondContact CB-OD2 3.29Å; T21-D62 WeakPolarHBondContact CG2-OD2 3.37Å; T21-D62 PolarHBondContact N-OD1 2.72Å; T21-D62 PolarHBondContact OG1-OD2 3.3Å
22	S	96.6	Very high	93.7	Very high	19 Å²	19	31.9 Å²	31.9	13%	0.133	22%	0.215	C	C	.	.	H	α-helix	trans	-61.7	-40.5	177.5	-48.3	0	0	0	0	112.4	G19 K20 R26 L36	G19-S22 WeakPolarHBondContact O-CB 3.43Å; G19-S22 PolarHBondContact O-N 2.8Å; G19-S22 VanDerWaalsContact O-N 3.17Å; K20-S22 VanDerWaalsContact C-N 3.32Å; K20-S22 PolarHBondContact O-N 3.48Å; S22-R26 WeakPolarHBondContact O-CB 3.45Å; S22-R26 PolarHBondContact O-N 3.02Å; S22-L36 VanDerWaalsContact OG-CD1 3.29Å; S22-L36 WeakPolarHBondContact OG-CD1 3.28Å
23	I	97.9	Very high	93	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-51.4	174.9	-73.7	169	0	0	0	109.9	L12 G19 K20 T21 R26 Y27 V86 V118 N120 A151 L157 F161	L12-I23 HydrophobicContact CD2-CB 4.48Å; L12-I23 HydrophobicContact CD2-CG2 4.14Å; G19-I23 WeakPolarHBondContact O-CG1 3.32Å; G19-I23 PolarHBondContact O-N 3.24Å; K20-I23 WeakPolarHBondContact O-CB 3.25Å; K20-I23 PolarHBondContact O-N 3.37Å; T21-I23 VanDerWaalsContact C-N 3.35Å; T21-I23 PolarHBondContact O-N 2.7Å; I23-R26 PolarHBondContact O-N 3.21Å; I23-Y27 VanDerWaalsContact O-CB 3.28Å; I23-Y27 WeakPolarHBondContact O-CB 3.42Å; I23-Y27 PolarHBondContact O-N 3.08Å; I23-V86 HydrophobicContact CD1-CG1 3.76Å; I23-V86 HydrophobicContact CD1-CG2 4.16Å; I23-V118 HydrophobicContact CD1-CG1 4.45Å; I23-N120 HydrophobicContact CD1-CB 4.07Å; I23-A151 HydrophobicContact CG1-CB 4.12Å; I23-L157 HydrophobicContact CB-CD2 4.44Å; I23-L157 HydrophobicContact CG1-CD2 4.2Å; I23-L157 HydrophobicContact CG2-CD2 3.95Å; I23-F161 HydrophobicContact CG2-CE2 3.88Å; I23-F161 HydrophobicContact CG2-CZ 4.21Å
24	V	95.9	Very high	92.2	Very high	9 Å²	9	38.1 Å²	38.1	6%	0.055	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-47.6	-178.9	173.7	0	0	0	0	111.4	L12 K20 T21 R26 Y27 N28 C45 I60 D62	L12-V24 HydrophobicContact CD1-CG2 3.49Å; L12-V24 VanDerWaalsContact CD1-CG2 3.49Å; L12-V24 HydrophobicContact CD2-CG2 3.58Å; L12-V24 HydrophobicContact CG-CG2 4.17Å; K20-V24 PolarHBondContact O-N 3.16Å; T21-V24 PolarHBondContact O-N 3.23Å; V24-R26 PolarHBondContact O-N 3.03Å; V24-Y27 PolarHBondContact O-N 3.19Å; V24-N28 WeakPolarHBondContact O-CB 3.5Å; V24-N28 PolarHBondContact O-N 3.26Å; V24-N28 VanDerWaalsContact O-N 3.08Å; V24-N28 PolarHBondContact O-ND2 3.47Å; V24-C45 WeakPolarHBondContact CG1-SG 3.16Å; V24-I60 HydrophobicContact CG1-CG2 4.25Å; V24-I60 HydrophobicContact CG2-CG2 3.91Å; V24-D62 HydrophobicContact CG2-CB 4.22Å
25	T	94.3	Very high	91.4	Very high	54 Å²	54	46.3 Å²	46.3	33%	0.331	30%	0.301	S	S	.	.	H	α-helix	trans	-59.5	-48	177.8	-60.8	0	0	0	0	111	T21 N28 G30	T21-T25 WeakPolarHBondContact O-CB 3.43Å; T21-T25 PolarHBondContact O-N 3.27Å; T21-T25 PolarHBondContact O-OG1 3.08Å; T25-N28 PolarHBondContact O-N 3.23Å; T25-G30 WeakPolarHBondContact O-CA 3.37Å; T25-G30 PolarHBondContact O-N 3Å
26	R	95.4	Very high	90.7	Very high	82 Å²	82	48.4 Å²	48.4	31%	0.309	31%	0.31	S	S	.	.	H	α-helix	trans	-64.9	-43.3	-179.3	-174.8	67	168.2	178.3	-3.8	112.1	S22 I23 V24 N28 G29 A151 T153 L157	S22-R26 WeakPolarHBondContact O-CB 3.45Å; S22-R26 PolarHBondContact O-N 3.02Å; I23-R26 PolarHBondContact O-N 3.21Å; V24-R26 PolarHBondContact O-N 3.03Å; R26-N28 VanDerWaalsContact C-N 3.33Å; R26-N28 PolarHBondContact O-N 3.27Å; R26-G29 PolarHBondContact O-N 2.98Å; R26-A151 WeakPolarHBondContact CD-O 3.48Å; R26-A151 WeakPolarHBondContact CG-O 3.33Å; R26-T153 PolarHBondContact NH2-O 3.19Å; R26-T153 VanDerWaalsContact NH2-O 3.07Å; R26-L157 HydrophobicContact CB-CD1 3.71Å; R26-L157 HydrophobicContact CG-CD1 3.36Å
27	Y	94.7	Very high	90.2	Very high	33 Å²	33	50 Å²	50	13%	0.129	32%	0.324	C	S	.	.	H	α-helix	trans	-62.6	-40.9	179.7	-179.2	-106.9	0	0	0	112.1	I23 V24 G29 A47 M49 F161	I23-Y27 VanDerWaalsContact O-CB 3.28Å; I23-Y27 WeakPolarHBondContact O-CB 3.42Å; I23-Y27 PolarHBondContact O-N 3.08Å; V24-Y27 PolarHBondContact O-N 3.19Å; Y27-G29 PolarHBondContact O-N 3.11Å; Y27-A47 HydrophobicContact CE1-CB 3.87Å; Y27-M49 WeakPolarHBondContact OH-CE 3.46Å; Y27-F161 AromaticContact CD1-CD1 3.88Å; Y27-F161 HydrophobicContact CD1-CD1 3.88Å; Y27-F161 AromaticContact CD1-CD2 3.96Å; Y27-F161 HydrophobicContact CD1-CD2 3.96Å; Y27-F161 AromaticContact CD1-CE1 3.77Å; Y27-F161 HydrophobicContact CD1-CE1 3.77Å; Y27-F161 AromaticContact CD1-CE2 3.85Å; Y27-F161 HydrophobicContact CD1-CE2 3.85Å; Y27-F161 AromaticContact CD1-CG 3.97Å; Y27-F161 HydrophobicContact CD1-CG 3.97Å; Y27-F161 AromaticContact CD1-CZ 3.75Å; Y27-F161 HydrophobicContact CD1-CZ 3.75Å; Y27-F161 HydrophobicContact CD2-CB 4.25Å; Y27-F161 AromaticContact CD2-CD2 3.38Å; Y27-F161 HydrophobicContact CD2-CD2 3.38Å; Y27-F161 AromaticContact CD2-CE2 3.77Å; Y27-F161 HydrophobicContact CD2-CE2 3.77Å; Y27-F161 AromaticContact CD2-CG 3.82Å; Y27-F161 HydrophobicContact CD2-CG 3.82Å; Y27-F161 HydrophobicContact CD2-CZ 4.5Å; Y27-F161 HydrophobicContact CE1-CB 4.19Å; Y27-F161 AromaticContact CE1-CD1 3.6Å; Y27-F161 HydrophobicContact CE1-CD1 3.6Å; Y27-F161 HydrophobicContact CE1-CD2 4.15Å; Y27-F161 AromaticContact CE1-CE1 3.94Å; Y27-F161 HydrophobicContact CE1-CE1 3.94Å; Y27-F161 HydrophobicContact CE1-CE2 4.45Å; Y27-F161 AromaticContact CE1-CG 3.72Å; Y27-F161 HydrophobicContact CE1-CG 3.72Å; Y27-F161 HydrophobicContact CE1-CZ 4.35Å; Y27-F161 HydrophobicContact CE2-CB 3.55Å; Y27-F161 HydrophobicContact CE2-CD1 4.33Å; Y27-F161 AromaticContact CE2-CD2 3.62Å; Y27-F161 HydrophobicContact CE2-CD2 3.62Å; Y27-F161 HydrophobicContact CE2-CE2 4.39Å; Y27-F161 AromaticContact CE2-CG 3.58Å; Y27-F161 HydrophobicContact CE2-CG 3.58Å; Y27-F161 HydrophobicContact CG-CD1 4.34Å; Y27-F161 AromaticContact CG-CD2 3.56Å; Y27-F161 HydrophobicContact CG-CD2 3.56Å; Y27-F161 HydrophobicContact CG-CE1 4.26Å; Y27-F161 AromaticContact CG-CE2 3.46Å; Y27-F161 HydrophobicContact CG-CE2 3.46Å; Y27-F161 VanDerWaalsContact CG-CE2 3.46Å; Y27-F161 HydrophobicContact CG-CG 4.01Å; Y27-F161 AromaticContact CG-CZ 3.84Å; Y27-F161 HydrophobicContact CG-CZ 3.84Å; Y27-F161 AromaticContact CZ-CD1 3.86Å; Y27-F161 AromaticContact CZ-CG 3.52Å
28	N	91.3	Very high	89.8	Confident	34 Å²	34	51.2 Å²	51.2	18%	0.182	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	18.7	176.4	-70.5	-26.8	0	0	0	114.3	V24 T25 R26 G30 C45	V24-N28 WeakPolarHBondContact O-CB 3.5Å; V24-N28 PolarHBondContact O-N 3.26Å; V24-N28 VanDerWaalsContact O-N 3.08Å; V24-N28 PolarHBondContact O-ND2 3.47Å; T25-N28 PolarHBondContact O-N 3.23Å; R26-N28 VanDerWaalsContact C-N 3.33Å; R26-N28 PolarHBondContact O-N 3.27Å; N28-G30 VanDerWaalsContact C-N 3.32Å; N28-G30 PolarHBondContact O-N 2.86Å; N28-C45 PolarHBondContact ND2-SG 3.17Å
29	G	88.9	Confident	89.1	Confident	60 Å²	60	52.4 Å²	52.4	62%	0.619	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	6.1	176.1	0	0	0	0	0	114.8	R26 Y27	R26-G29 PolarHBondContact O-N 2.98Å; Y27-G29 PolarHBondContact O-N 3.11Å
30	G	84.1	Confident	88.4	Confident	25 Å²	25	57.6 Å²	57.6	26%	0.258	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-72.3	158.8	171.6	0	0	0	0	0	112.8	T25 N28	T25-G30 WeakPolarHBondContact O-CA 3.37Å; T25-G30 PolarHBondContact O-N 3Å; N28-G30 VanDerWaalsContact C-N 3.32Å; N28-G30 PolarHBondContact O-N 2.86Å
31	G	85.6	Confident	87.7	Confident	51 Å²	51	57.4 Å²	57.4	53%	0.526	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-71.2	169.2	168.4	0	0	0	0	0	112.4
32	F	85.2	Confident	87.4	Confident	87 Å²	87	56.9 Å²	56.9	38%	0.382	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-83.1	137.7	166.1	176.7	-96	0	0	0	109.8	A34 A151 L152	F32-A34 HydrophobicContact CE1-CB 4.13Å; F32-A151 HydrophobicContact CD2-CB 4.48Å; F32-L152 HydrophobicContact CB-CD1 4.2Å; F32-L152 HydrophobicContact CD1-CD1 3.36Å; F32-L152 HydrophobicContact CD2-CB 4.24Å; F32-L152 HydrophobicContact CD2-CD1 4.36Å; F32-L152 HydrophobicContact CE1-CD1 3.73Å; F32-L152 HydrophobicContact CE2-CB 4.34Å; F32-L152 HydrophobicContact CG-CB 4.39Å; F32-L152 HydrophobicContact CG-CD1 3.71Å; F32-L152 HydrophobicContact CZ-CD1 4.36Å
33	S	83.6	Confident	87.1	Confident	52 Å²	52	59 Å²	59	36%	0.364	37%	0.368	S	S	.	.			trans	-127.9	129.1	169.4	177.2	0	0	0	0	109.4	H35	S33-H35 PolarHBondContact OG-N 2.99Å
34	A	80.3	Confident	86.8	Confident	78 Å²	78	59.8 Å²	59.8	65%	0.645	37%	0.372	S	S	*	.	S	Bend	trans	-74.3	-17.8	173.2	0	0	0	0	0	112.6	F32	F32-A34 HydrophobicContact CE1-CB 4.13Å
35	H	78.6	Confident	86.7	Confident	172 Å²	172	60.1 Å²	60.1	80%	0.796	37%	0.374	S	S	*	.			trans	-111.4	58.6	-172.9	-57.5	-61.7	0	0	0	111.3	S33	S33-H35 PolarHBondContact OG-N 2.99Å
36	L	80.1	Confident	86.7	Confident	72 Å²	72	61.5 Å²	61.5	38%	0.377	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-86.4	125.8	173.4	-67.6	171.2	0	0	0	110.1	T21 S22	T21-L36 HydrophobicContact CG2-CD1 4.22Å; S22-L36 VanDerWaalsContact OG-CD1 3.29Å; S22-L36 WeakPolarHBondContact OG-CD1 3.28Å
37	S	83.2	Confident	86.6	Confident	106 Å²	106	57.9 Å²	57.9	74%	0.741	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-61.4	144.4	168	-64	0	0	0	0	110.1	T39	S37-T39 PolarHBondContact O-N 3.43Å
38	P	85.1	Confident	86.5	Confident	79 Å²	79	60.2 Å²	60.2	51%	0.513	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-57.6	133.5	177.1	-23.9	33.1	0	0	0	112.3	I40	P38-I40 PolarHBondContact O-N 3.07Å
39	T	82.1	Confident	86.7	Confident	26 Å²	26	59.9 Å²	59.9	16%	0.16	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-62.2	129.6	171.7	-51.6	0	0	0	0	110.1	T21 S37 D62 A64	T21-T39 PolarHBondContact OG1-OG1 3.42Å; S37-T39 PolarHBondContact O-N 3.43Å; T39-D62 PolarHBondContact OG1-OD2 2.77Å; T39-A64 WeakPolarHBondContact O-CB 3.16Å
40	I	81.3	Confident	86.9	Confident	123 Å²	123	62.3 Å²	62.3	63%	0.631	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-102.7	127	173.3	-60.7	175.6	0	0	0	107.6	P38 A42 F69	P38-I40 PolarHBondContact O-N 3.07Å; I40-A42 PolarHBondContact O-N 3.33Å; I40-A42 VanDerWaalsContact O-N 3.09Å; I40-F69 HydrophobicContact CB-CE2 4.48Å; I40-F69 HydrophobicContact CB-CZ 4.46Å; I40-F69 HydrophobicContact CG1-CE2 4.11Å; I40-F69 HydrophobicContact CG1-CZ 4.14Å; I40-F69 HydrophobicContact CG2-CE1 4.01Å; I40-F69 HydrophobicContact CG2-CE2 4.36Å; I40-F69 HydrophobicContact CG2-CZ 3.93Å
41	G	82.9	Confident	87.3	Confident	7 Å²	7	62.1 Å²	62.1	7%	0.072	36%	0.36	C	S	.	.	S	Bend	trans	66.1	-105.7	-175	0	0	0	0	0	111.7	A64	G41-A64 VanDerWaalsContact O-CB 3.29Å; G41-A64 WeakPolarHBondContact O-CB 3.4Å; G41-A64 PolarHBondContact O-N 3.18Å
42	A	87.6	Confident	87.5	Confident	24 Å²	24	63.2 Å²	63.2	20%	0.198	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	148.8	171.5	0	0	0	0	0	112.1	I40 W61 D62 T63 Y76	I40-A42 PolarHBondContact O-N 3.33Å; I40-A42 VanDerWaalsContact O-N 3.09Å; A42-W61 HydrophobicContact CB-CE3 4.04Å; A42-D62 CarbonylContact C-O 3.6Å; A42-D62 WeakPolarHBondContact CA-O 3.42Å; A42-D62 WeakPolarHBondContact CB-O 3.42Å; A42-T63 HydrophobicContact CB-CG2 4.4Å; A42-Y76 HydrophobicContact CB-CD1 3.86Å; A42-Y76 HydrophobicContact CB-CD2 4.02Å; A42-Y76 HydrophobicContact CB-CE1 3.51Å; A42-Y76 HydrophobicContact CB-CE2 3.67Å; A42-Y76 HydrophobicContact CB-CG 4.11Å; A42-Y76 PolarHBondContact N-OH 3.21Å
43	S	90.8	Very high	87.7	Confident	63 Å²	63	64.6 Å²	64.6	44%	0.441	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	148.7	167.8	-177.2	0	0	0	0	110.4	W61 D62	S43-W61 WeakPolarHBondContact O-CA 3.29Å; S43-D62 PolarHBondContact N-O 3.04Å; S43-D62 PolarHBondContact O-N 2.84Å
44	F	91.7	Very high	88	Confident	18 Å²	18	63.8 Å²	63.8	8%	0.079	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.9	-176.6	176.8	-102.4	0	0	0	111.3	R46 Q59 I60 W61 V186 S192	F44-R46 HydrophobicContact CE1-CG 3.9Å; F44-R46 HydrophobicContact CZ-CG 3.71Å; F44-Q59 HydrophobicContact CE2-CB 3.77Å; F44-Q59 HydrophobicContact CE2-CG 3.98Å; F44-Q59 HydrophobicContact CZ-CB 4.28Å; F44-Q59 HydrophobicContact CZ-CG 4.02Å; F44-I60 WeakPolarHBondContact CA-O 3.43Å; F44-W61 HydrophobicContact CB-CE3 4.35Å; F44-W61 HydrophobicContact CB-CH2 4.45Å; F44-W61 HydrophobicContact CB-CZ3 4.21Å; F44-W61 AromaticContact CD2-CD2 3.93Å; F44-W61 HydrophobicContact CD2-CD2 3.93Å; F44-W61 AromaticContact CD2-CE2 3.56Å; F44-W61 HydrophobicContact CD2-CE3 4.33Å; F44-W61 HydrophobicContact CD2-CG 4.45Å; F44-W61 HydrophobicContact CD2-CH2 4.11Å; F44-W61 AromaticContact CD2-CZ2 3.68Å; F44-W61 HydrophobicContact CD2-CZ2 3.68Å; F44-W61 HydrophobicContact CD2-CZ3 4.41Å; F44-W61 AromaticContact CD2-NE1 3.85Å; F44-W61 AromaticContact CE2-CE2 3.98Å; F44-W61 HydrophobicContact CE2-CZ2 4.06Å; F44-W61 AromaticContact CE2-NE1 3.91Å; F44-W61 HydrophobicContact CG-CH2 4.5Å; F44-W61 HydrophobicContact CG-CZ2 4.46Å; F44-V186 HydrophobicContact CE1-CB 4.46Å; F44-V186 HydrophobicContact CE1-CG2 4.19Å; F44-V186 HydrophobicContact CE2-CG2 4.32Å; F44-V186 HydrophobicContact CZ-CG2 3.86Å; F44-S192 PolarHBondContact O-OG 3.07Å
45	C	93.8	Very high	88.6	Confident	16 Å²	16	61.6 Å²	61.6	11%	0.108	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	173.2	168.3	61.8	0	0	0	0	110.8	V24 N28 I60	V24-C45 WeakPolarHBondContact CG1-SG 3.16Å; N28-C45 PolarHBondContact ND2-SG 3.17Å; C45-I60 PolarHBondContact N-O 2.82Å; C45-I60 PolarHBondContact O-N 3.09Å
46	R	93.8	Very high	89.3	Confident	83 Å²	83	53.4 Å²	53.4	31%	0.313	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145	178.4	-62.5	179.5	-176.9	172.1	0.3	110.9	F44 L57 I58	F44-R46 HydrophobicContact CE1-CG 3.9Å; F44-R46 HydrophobicContact CZ-CG 3.71Å; R46-L57 HydrophobicContact CB-CD1 4.12Å; R46-I58 VanDerWaalsContact CA-O 3.28Å; R46-I58 WeakPolarHBondContact CA-O 3.16Å
47	A	93.4	Very high	90.1	Very high	7 Å²	7	51 Å²	51	6%	0.058	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.8	167	0	0	0	0	0	109.3	Y27 I58 I60	Y27-A47 HydrophobicContact CE1-CB 3.87Å; A47-I58 PolarHBondContact N-O 2.86Å; A47-I58 PolarHBondContact O-N 3.38Å; A47-I60 HydrophobicContact CB-CD1 3.83Å
48	E	93.7	Very high	90.7	Very high	82 Å²	82	46 Å²	46	38%	0.383	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.7	169.6	-72.5	-177.9	-140.5	0	0	109	L56 L57	E48-L56 VanDerWaalsContact CA-O 3.29Å; E48-L56 WeakPolarHBondContact CA-O 3.45Å; E48-L57 HydrophobicContact CG-CD1 3.67Å
49	M	94.2	Very high	91.2	Very high	27 Å²	27	43.3 Å²	43.3	13%	0.133	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	133.1	179.6	-176.2	-179.7	-70	0	0	110.8	Y27 V51 L56 I58 F161 A165	Y27-M49 WeakPolarHBondContact OH-CE 3.46Å; M49-V51 HydrophobicContact CG-CG2 4.16Å; M49-V51 HydrophobicContact SD-CG2 4.11Å; M49-L56 PolarHBondContact N-O 3.37Å; M49-L56 WeakPolarHBondContact O-CB 3.4Å; M49-L56 PolarHBondContact O-N 3.35Å; M49-I58 HydrophobicContact CB-CD1 4.3Å; M49-F161 HydrophobicContact CE-CB 3.99Å; M49-A165 HydrophobicContact CE-CB 4.4Å; M49-A165 HydrophobicContact SD-CB 3.33Å; M49-A165 WeakPolarHBondContact SD-CB 3.29Å
50	Q	93.5	Very high	91.9	Very high	111 Å²	111	42.1 Å²	42.1	52%	0.519	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.4	172.3	-170.7	66.8	32.4	0	0	109.7	G52 S53 I54	Q50-G52 PolarHBondContact NE2-O 3.28Å; Q50-S53 PolarHBondContact NE2-O 2.99Å; Q50-I54 PolarHBondContact NE2-O 3.28Å
51	V	92.8	Very high	92.6	Very high	21 Å²	21	38.4 Å²	38.4	13%	0.127	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	100.3	174.7	179.5	0	0	0	0	108.4	M49 S53 I54 L56 A165 E166 C169	M49-V51 HydrophobicContact CG-CG2 4.16Å; M49-V51 HydrophobicContact SD-CG2 4.11Å; V51-S53 PolarHBondContact O-N 3.3Å; V51-I54 PolarHBondContact N-O 2.93Å; V51-I54 WeakPolarHBondContact O-CB 3.43Å; V51-I54 PolarHBondContact O-N 2.96Å; V51-L56 HydrophobicContact CB-CD1 4.44Å; V51-L56 HydrophobicContact CG2-CD1 3.69Å; V51-L56 HydrophobicContact CG2-CG 4.32Å; V51-A165 HydrophobicContact CG2-CB 3.95Å; V51-E166 HydrophobicContact CG1-CG 3.75Å; V51-C169 HydrophobicContact CG1-CB 4.25Å
52	G	90.2	Very high	93.1	Very high	73 Å²	73	38.2 Å²	38.2	75%	0.753	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	-120.2	-170.5	0	0	0	0	0	111.3	Q50	Q50-G52 PolarHBondContact NE2-O 3.28Å
53	S	88.5	Confident	93.3	Very high	117 Å²	117	37.2 Å²	37.2	82%	0.818	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-4	175.3	59.3	0	0	0	0	114.1	Q50 V51	Q50-S53 PolarHBondContact NE2-O 2.99Å; V51-S53 PolarHBondContact O-N 3.3Å
54	I	90.1	Very high	93	Very high	35 Å²	35	34.5 Å²	34.5	18%	0.179	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.4	-173.8	-57.7	174.5	0	0	0	109.5	C6 Q50 V51 L56 F178	C6-I54 HydrophobicContact CB-CG2 4.32Å; Q50-I54 PolarHBondContact NE2-O 3.28Å; V51-I54 PolarHBondContact N-O 2.93Å; V51-I54 WeakPolarHBondContact O-CB 3.43Å; V51-I54 PolarHBondContact O-N 2.96Å; I54-L56 HydrophobicContact CG2-CD2 3.68Å; I54-L56 HydrophobicContact CG2-CG 4.22Å; I54-F178 HydrophobicContact CD1-CE1 3.88Å; I54-F178 HydrophobicContact CD1-CE2 4.16Å; I54-F178 HydrophobicContact CD1-CZ 3.61Å; I54-F178 HydrophobicContact CG1-CE1 4.42Å; I54-F178 HydrophobicContact CG2-CD1 4.41Å; I54-F178 HydrophobicContact CG2-CE1 3.43Å; I54-F178 VanDerWaalsContact CG2-CE1 3.43Å; I54-F178 HydrophobicContact CG2-CZ 3.95Å
55	N	92.8	Very high	92.1	Very high	32 Å²	32	34.4 Å²	34.4	17%	0.171	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	116.4	166.8	-175.2	11.2	0	0	0	109.2	P5 C6	P5-N55 CarbonylContact C-O 3.59Å; P5-N55 VanDerWaalsContact CA-O 3.29Å; P5-N55 WeakPolarHBondContact CA-O 3.27Å; P5-N55 HydrophobicContact CB-CB 4.47Å; C6-N55 PolarHBondContact N-O 3.21Å
56	L	94.6	Very high	91.5	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.7	176.7	-64.2	-178.4	0	0	0	110.9	C6 T8 E48 M49 V51 I54 I58 A165 M168 F178	C6-L56 HydrophobicContact CB-CD2 4.01Å; C6-L56 WeakPolarHBondContact O-CA 3.26Å; T8-L56 HydrophobicContact CG2-CD2 3.9Å; E48-L56 VanDerWaalsContact CA-O 3.29Å; E48-L56 WeakPolarHBondContact CA-O 3.45Å; M49-L56 PolarHBondContact N-O 3.37Å; M49-L56 WeakPolarHBondContact O-CB 3.4Å; M49-L56 PolarHBondContact O-N 3.35Å; V51-L56 HydrophobicContact CB-CD1 4.44Å; V51-L56 HydrophobicContact CG2-CD1 3.69Å; V51-L56 HydrophobicContact CG2-CG 4.32Å; I54-L56 HydrophobicContact CG2-CD2 3.68Å; I54-L56 HydrophobicContact CG2-CG 4.22Å; L56-I58 HydrophobicContact CB-CG1 4.07Å; L56-A165 HydrophobicContact CD1-CB 3.91Å; L56-M168 HydrophobicContact CD1-CE 3.91Å; L56-F178 HydrophobicContact CD2-CE1 4.47Å
57	L	95.5	Very high	90.5	Very high	21 Å²	21	37.8 Å²	37.8	11%	0.11	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	102.7	161.1	-178.6	65.7	0	0	0	108.4	P5 C6 V7 T8 R46 E48	P5-L57 HydrophobicContact CB-CB 4.02Å; P5-L57 HydrophobicContact CG-CB 4.36Å; C6-L57 PolarHBondContact O-N 3.28Å; V7-L57 WeakPolarHBondContact CA-O 3.49Å; V7-L57 HydrophobicContact CG2-CB 4.44Å; V7-L57 HydrophobicContact CG2-CD2 4.25Å; T8-L57 PolarHBondContact N-O 3.01Å; T8-L57 PolarHBondContact OG1-O 2.96Å; R46-L57 HydrophobicContact CB-CD1 4.12Å; E48-L57 HydrophobicContact CG-CD1 3.67Å
58	I	96.4	Very high	89.9	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	116.4	-176.7	-48.3	179.8	0	0	0	109.2	L10 R46 A47 M49 L56 I60 A165 M168	L10-I58 HydrophobicContact CB-CG2 3.68Å; R46-I58 VanDerWaalsContact CA-O 3.28Å; R46-I58 WeakPolarHBondContact CA-O 3.16Å; A47-I58 PolarHBondContact N-O 2.86Å; A47-I58 PolarHBondContact O-N 3.38Å; M49-I58 HydrophobicContact CB-CD1 4.3Å; L56-I58 HydrophobicContact CB-CG1 4.07Å; I58-I60 HydrophobicContact CB-CG1 4.49Å; I58-I60 HydrophobicContact CG2-CG1 3.87Å; I58-I60 PolarHBondContact O-N 2.63Å; I58-A165 HydrophobicContact CD1-CB 4.2Å; I58-M168 HydrophobicContact CD1-CE 4.13Å; I58-M168 HydrophobicContact CG1-CE 4.13Å
59	Q	96.4	Very high	89.3	Confident	22 Å²	22	43.2 Å²	43.2	10%	0.103	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	102.8	171.1	-71.9	-171.8	-18.4	0	0	109.3	V7 T8 L10 F44	V7-Q59 HydrophobicContact CG1-CG 4.04Å; T8-Q59 VanDerWaalsContact O-CB 3.29Å; T8-Q59 WeakPolarHBondContact O-CB 3.42Å; T8-Q59 PolarHBondContact O-N 2.93Å; L10-Q59 PolarHBondContact N-O 3.28Å; L10-Q59 VanDerWaalsContact O-O 3.11Å; F44-Q59 HydrophobicContact CE2-CB 3.77Å; F44-Q59 HydrophobicContact CE2-CG 3.98Å; F44-Q59 HydrophobicContact CZ-CB 4.28Å; F44-Q59 HydrophobicContact CZ-CG 4.02Å
60	I	96.7	Very high	88.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.8	-175.1	-58.9	168	0	0	0	109.3	L10 L12 V24 F44 C45 A47 I58 F161	L10-I60 HydrophobicContact CD2-CG1 4.35Å; L10-I60 HydrophobicContact CD2-CG2 3.98Å; L10-I60 CarbonylContact O-C 3.41Å; L10-I60 WeakPolarHBondContact O-CA 3.46Å; L12-I60 HydrophobicContact CD1-CG2 3.43Å; L12-I60 VanDerWaalsContact CD1-CG2 3.43Å; V24-I60 HydrophobicContact CG1-CG2 4.25Å; V24-I60 HydrophobicContact CG2-CG2 3.91Å; F44-I60 WeakPolarHBondContact CA-O 3.43Å; C45-I60 PolarHBondContact N-O 2.82Å; C45-I60 PolarHBondContact O-N 3.09Å; A47-I60 HydrophobicContact CB-CD1 3.83Å; I58-I60 HydrophobicContact CB-CG1 4.49Å; I58-I60 HydrophobicContact CG2-CG1 3.87Å; I58-I60 PolarHBondContact O-N 2.63Å; I60-F161 HydrophobicContact CD1-CE1 3.85Å
61	W	95.5	Very high	87.9	Confident	46 Å²	46	45 Å²	45	17%	0.174	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	105.9	176.3	-67.4	85.8	0	0	0	110.2	L10 V11 L12 A42 S43 F44 Y76	L10-W61 PolarHBondContact O-N 3.21Å; V11-W61 WeakPolarHBondContact CA-O 3.45Å; V11-W61 HydrophobicContact CG1-CB 4.12Å; L12-W61 PolarHBondContact N-O 3.1Å; A42-W61 HydrophobicContact CB-CE3 4.04Å; S43-W61 WeakPolarHBondContact O-CA 3.29Å; F44-W61 HydrophobicContact CB-CE3 4.35Å; F44-W61 HydrophobicContact CB-CH2 4.45Å; F44-W61 HydrophobicContact CB-CZ3 4.21Å; F44-W61 AromaticContact CD2-CD2 3.93Å; F44-W61 HydrophobicContact CD2-CD2 3.93Å; F44-W61 AromaticContact CD2-CE2 3.56Å; F44-W61 HydrophobicContact CD2-CE3 4.33Å; F44-W61 HydrophobicContact CD2-CG 4.45Å; F44-W61 HydrophobicContact CD2-CH2 4.11Å; F44-W61 AromaticContact CD2-CZ2 3.68Å; F44-W61 HydrophobicContact CD2-CZ2 3.68Å; F44-W61 HydrophobicContact CD2-CZ3 4.41Å; F44-W61 AromaticContact CD2-NE1 3.85Å; F44-W61 AromaticContact CE2-CE2 3.98Å; F44-W61 HydrophobicContact CE2-CZ2 4.06Å; F44-W61 AromaticContact CE2-NE1 3.91Å; F44-W61 HydrophobicContact CG-CH2 4.5Å; F44-W61 HydrophobicContact CG-CZ2 4.46Å; W61-Y76 HydrophobicContact CD2-CD1 4.2Å; W61-Y76 AromaticContact CE3-CD1 3.56Å; W61-Y76 HydrophobicContact CE3-CD1 3.56Å; W61-Y76 AromaticContact CE3-CE1 3.83Å; W61-Y76 HydrophobicContact CE3-CE1 3.83Å; W61-Y76 AromaticContact CZ3-CD1 3.84Å; W61-Y76 HydrophobicContact CZ3-CD1 3.84Å; W61-Y76 AromaticContact CZ3-CE1 3.75Å; W61-Y76 HydrophobicContact CZ3-CE1 3.75Å
62	D	93.5	Very high	87.4	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	109.2	171.3	175.2	37.7	0	0	0	109.6	K20 T21 V24 T39 A42 S43	K20-D62 WeakPolarHBondContact CB-OD1 3.5Å; T21-D62 VanDerWaalsContact CA-OD2 3.31Å; T21-D62 WeakPolarHBondContact CA-OD2 3.48Å; T21-D62 VanDerWaalsContact CB-OD2 3.26Å; T21-D62 WeakPolarHBondContact CB-OD2 3.29Å; T21-D62 WeakPolarHBondContact CG2-OD2 3.37Å; T21-D62 PolarHBondContact N-OD1 2.72Å; T21-D62 PolarHBondContact OG1-OD2 3.3Å; V24-D62 HydrophobicContact CG2-CB 4.22Å; T39-D62 PolarHBondContact OG1-OD2 2.77Å; A42-D62 CarbonylContact C-O 3.6Å; A42-D62 WeakPolarHBondContact CA-O 3.42Å; A42-D62 WeakPolarHBondContact CB-O 3.42Å; S43-D62 PolarHBondContact N-O 3.04Å; S43-D62 PolarHBondContact O-N 2.84Å
63	T	90.8	Very high	87	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	151.3	-175.8	68.1	0	0	0	0	112.8	L12 V13 K20 A42 G65 Y76	L12-T63 WeakPolarHBondContact O-CB 3.48Å; L12-T63 WeakPolarHBondContact O-CG2 3.45Å; L12-T63 PolarHBondContact O-N 2.83Å; L12-T63 PolarHBondContact O-OG1 3.18Å; V13-T63 HydrophobicContact CG1-CG2 4.48Å; K20-T63 WeakPolarHBondContact CE-O 3.26Å; A42-T63 HydrophobicContact CB-CG2 4.4Å; T63-G65 PolarHBondContact O-N 3.37Å; T63-Y76 HydrophobicContact CG2-CD2 4.25Å; T63-Y76 HydrophobicContact CG2-CG 4.44Å
64	A	84.7	Confident	86.9	Confident	6 Å²	6	41.2 Å²	41.2	5%	0.05	21%	0.21	C	C	.	.			trans	-59.8	132.2	170.6	0	0	0	0	0	110.9	T39 G41 F69	T39-A64 WeakPolarHBondContact O-CB 3.16Å; G41-A64 VanDerWaalsContact O-CB 3.29Å; G41-A64 WeakPolarHBondContact O-CB 3.4Å; G41-A64 PolarHBondContact O-N 3.18Å; A64-F69 HydrophobicContact CB-CB 3.81Å; A64-F69 HydrophobicContact CB-CD2 4.02Å; A64-F69 HydrophobicContact CB-CG 4.29Å
65	G	73.6	Confident	86.8	Confident	16 Å²	16	45.4 Å²	45.4	17%	0.165	23%	0.23	C	C	.	.			trans	-88.7	-3.6	174.8	0	0	0	0	0	114.6	G14 T16 T63	G14-G65 WeakPolarHBondContact O-CA 3.45Å; T16-G65 PolarHBondContact N-O 2.9Å; T16-G65 PolarHBondContact OG1-O 2.84Å; T63-G65 PolarHBondContact O-N 3.37Å
66	Q	79.8	Confident	86.6	Confident	29 Å²	29	45.2 Å²	45.2	14%	0.136	23%	0.227	C	C	.	.			trans	-80.9	136.7	-175.9	-65.7	-174	-0.2	0	0	109.9	T16 R68 F69 R70	T16-Q66 HydrophobicContact CG2-CG 4.27Å; T16-Q66 WeakPolarHBondContact OG1-CA 3.42Å; T16-Q66 VanDerWaalsContact OG1-CG 3.26Å; T16-Q66 WeakPolarHBondContact OG1-CG 3.46Å; T16-Q66 PolarHBondContact OG1-N 2.81Å; Q66-R68 VanDerWaalsContact C-N 3.28Å; Q66-R68 HydrophobicContact CB-CG 4.2Å; Q66-R68 PolarHBondContact O-N 3.2Å; Q66-F69 HydrophobicContact CB-CD2 3.89Å; Q66-F69 HydrophobicContact CB-CE2 4.43Å; Q66-F69 PolarHBondContact O-N 3.41Å; Q66-R70 PolarHBondContact O-N 2.89Å
67	E	74.7	Confident	86.4	Confident	141 Å²	141	45.2 Å²	45.2	66%	0.659	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-55.6	-41.5	-179.9	73	-53.9	130	0	0	112.2	F69 R70	E67-F69 PolarHBondContact O-N 2.79Å; E67-F69 VanDerWaalsContact O-N 3.12Å; E67-R70 WeakPolarHBondContact O-CB 3.39Å; E67-R70 PolarHBondContact O-N 2.86Å
68	R	80.3	Confident	86	Confident	165 Å²	165	52.8 Å²	52.8	62%	0.623	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-61.1	-21.2	177.4	66.6	177.5	178.7	172.6	0.4	114.7	Q66	Q66-R68 VanDerWaalsContact C-N 3.28Å; Q66-R68 HydrophobicContact CB-CG 4.2Å; Q66-R68 PolarHBondContact O-N 3.2Å
69	F	81.7	Confident	85.6	Confident	39 Å²	39	57 Å²	57	17%	0.171	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-102.6	-3.6	176.2	-58.2	-53.4	0	0	0	113	I40 A64 Q66 E67 A71 M72	I40-F69 HydrophobicContact CB-CE2 4.48Å; I40-F69 HydrophobicContact CB-CZ 4.46Å; I40-F69 HydrophobicContact CG1-CE2 4.11Å; I40-F69 HydrophobicContact CG1-CZ 4.14Å; I40-F69 HydrophobicContact CG2-CE1 4.01Å; I40-F69 HydrophobicContact CG2-CE2 4.36Å; I40-F69 HydrophobicContact CG2-CZ 3.93Å; A64-F69 HydrophobicContact CB-CB 3.81Å; A64-F69 HydrophobicContact CB-CD2 4.02Å; A64-F69 HydrophobicContact CB-CG 4.29Å; Q66-F69 HydrophobicContact CB-CD2 3.89Å; Q66-F69 HydrophobicContact CB-CE2 4.43Å; Q66-F69 PolarHBondContact O-N 3.41Å; E67-F69 PolarHBondContact O-N 2.79Å; E67-F69 VanDerWaalsContact O-N 3.12Å; F69-A71 PolarHBondContact O-N 3.35Å; F69-M72 WeakPolarHBondContact O-CB 3.31Å; F69-M72 PolarHBondContact O-N 2.89Å
70	R	76.2	Confident	85.5	Confident	80 Å²	80	56 Å²	56	30%	0.302	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-59.3	-31.1	-177.7	-172.7	177.8	161.3	72.1	10	112.7	Q66 E67 M72 A73 P74 W101 E104	Q66-R70 PolarHBondContact O-N 2.89Å; E67-R70 WeakPolarHBondContact O-CB 3.39Å; E67-R70 PolarHBondContact O-N 2.86Å; R70-M72 PolarHBondContact O-N 3.28Å; R70-A73 VanDerWaalsContact O-CB 3.25Å; R70-A73 WeakPolarHBondContact O-CB 3.27Å; R70-A73 PolarHBondContact O-N 2.88Å; R70-P74 WeakPolarHBondContact O-CD 3.5Å; R70-W101 HydrophobicContact CG-CH2 4.44Å; R70-E104 IonicContact CZ-OE1 2.85Å; R70-E104 IonicContact CZ-OE2 3.37Å; R70-E104 IonicContact NH1-OE1 3.74Å; R70-E104 IonicContact NH1-OE2 2.7Å; R70-E104 PolarHBondContact NH1-OE2 2.94Å; R70-E104 IonicContact NH2-OE1 3.56Å; R70-E104 IonicContact NH2-OE2 3.96Å; R70-E104 PolarHBondContact NH2-OE2 3.15Å
71	A	81	Confident	85.6	Confident	96 Å²	96	56.1 Å²	56.1	79%	0.793	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-61.4	-22.3	174.9	0	0	0	0	0	113.7	F69	F69-A71 PolarHBondContact O-N 3.35Å
72	M	82.1	Confident	85.7	Confident	78 Å²	78	54 Å²	54	38%	0.384	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-82.1	-23.2	174.7	-59.1	-178.2	67.4	0	0	112.2	F69 R70 P74 M75 Y76	F69-M72 WeakPolarHBondContact O-CB 3.31Å; F69-M72 PolarHBondContact O-N 2.89Å; R70-M72 PolarHBondContact O-N 3.28Å; M72-P74 VanDerWaalsContact C-CD 3.44Å; M72-M75 HydrophobicContact CB-SD 4.33Å; M72-M75 HydrophobicContact CE-SD 4.25Å; M72-M75 WeakPolarHBondContact O-CG 3.32Å; M72-M75 PolarHBondContact O-N 3.19Å; M72-M75 VanDerWaalsContact O-N 3.12Å; M72-Y76 HydrophobicContact CB-CE2 4.35Å
73	A	81.9	Confident	85.9	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.033	26%	0.264	C	S	.	.	H	α-helix	trans	-55.6	-40.1	-170.5	0	0	0	0	0	114.6	R70 M75 Y76 Y77	R70-A73 VanDerWaalsContact O-CB 3.25Å; R70-A73 WeakPolarHBondContact O-CB 3.27Å; R70-A73 PolarHBondContact O-N 2.88Å; A73-M75 PolarHBondContact O-N 3.24Å; A73-M75 VanDerWaalsContact O-N 3.12Å; A73-Y76 PolarHBondContact O-N 3.26Å; A73-Y77 HydrophobicContact CB-CE1 4.26Å; A73-Y77 HydrophobicContact CB-CE2 4.08Å; A73-Y77 WeakPolarHBondContact CB-OH 3.45Å; A73-Y77 WeakPolarHBondContact O-CE1 3.5Å
74	P	85.7	Confident	86.3	Confident	49 Å²	49	53.7 Å²	53.7	32%	0.318	26%	0.263	S	S	.	.	H	α-helix	trans	-53	-33.5	176.8	-31.1	38.3	0	0	0	115.3	R70 M72 Y76 Y77	R70-P74 WeakPolarHBondContact O-CD 3.5Å; M72-P74 VanDerWaalsContact C-CD 3.44Å; P74-Y76 PolarHBondContact O-N 3.36Å; P74-Y77 VanDerWaalsContact CA-CD2 3.5Å; P74-Y77 HydrophobicContact CB-CD2 4.46Å; P74-Y77 HydrophobicContact CG-CE2 4.49Å; P74-Y77 PolarHBondContact O-N 2.92Å; P74-Y77 VanDerWaalsContact O-N 3.13Å
75	M	88.6	Confident	87	Confident	123 Å²	123	53.4 Å²	53.4	61%	0.606	26%	0.261	S	S	*	.	H	α-helix	trans	-64	-26.3	179.4	84.8	-167.2	-79.3	0	0	112.3	M72 A73	M72-M75 HydrophobicContact CB-SD 4.33Å; M72-M75 HydrophobicContact CE-SD 4.25Å; M72-M75 WeakPolarHBondContact O-CG 3.32Å; M72-M75 PolarHBondContact O-N 3.19Å; M72-M75 VanDerWaalsContact O-N 3.12Å; A73-M75 PolarHBondContact O-N 3.24Å; A73-M75 VanDerWaalsContact O-N 3.12Å
76	Y	89.2	Confident	88.2	Confident	27 Å²	27	52.7 Å²	52.7	11%	0.106	25%	0.253	C	S	.	.	H	α-helix	trans	-87.4	-14.9	179.2	-54.9	-68.3	0	0	0	112.8	K9 V11 A42 W61 T63 M72 A73 P74 T80	K9-Y76 WeakPolarHBondContact CE-O 3.47Å; K9-Y76 PolarHBondContact NZ-O 3.46Å; V11-Y76 WeakPolarHBondContact CG1-O 3.36Å; A42-Y76 HydrophobicContact CB-CD1 3.86Å; A42-Y76 HydrophobicContact CB-CD2 4.02Å; A42-Y76 HydrophobicContact CB-CE1 3.51Å; A42-Y76 HydrophobicContact CB-CE2 3.67Å; A42-Y76 HydrophobicContact CB-CG 4.11Å; A42-Y76 PolarHBondContact N-OH 3.21Å; W61-Y76 HydrophobicContact CD2-CD1 4.2Å; W61-Y76 AromaticContact CE3-CD1 3.56Å; W61-Y76 HydrophobicContact CE3-CD1 3.56Å; W61-Y76 AromaticContact CE3-CE1 3.83Å; W61-Y76 HydrophobicContact CE3-CE1 3.83Å; W61-Y76 AromaticContact CZ3-CD1 3.84Å; W61-Y76 HydrophobicContact CZ3-CD1 3.84Å; W61-Y76 AromaticContact CZ3-CE1 3.75Å; W61-Y76 HydrophobicContact CZ3-CE1 3.75Å; T63-Y76 HydrophobicContact CG2-CD2 4.25Å; T63-Y76 HydrophobicContact CG2-CG 4.44Å; M72-Y76 HydrophobicContact CB-CE2 4.35Å; A73-Y76 PolarHBondContact O-N 3.26Å; P74-Y76 PolarHBondContact O-N 3.36Å; Y76-T80 PolarHBondContact O-OG1 3.41Å
77	Y	90.3	Very high	89.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-81.7	-26.5	-177.6	-55.5	-26.5	0	0	0	114	V11 V13 A73 P74 N79 T80 W101 E104 L105 N108	V11-Y77 HydrophobicContact CG2-CD1 4.38Å; V13-Y77 HydrophobicContact CG1-CE1 3.55Å; A73-Y77 HydrophobicContact CB-CE1 4.26Å; A73-Y77 HydrophobicContact CB-CE2 4.08Å; A73-Y77 WeakPolarHBondContact CB-OH 3.45Å; A73-Y77 WeakPolarHBondContact O-CE1 3.5Å; P74-Y77 VanDerWaalsContact CA-CD2 3.5Å; P74-Y77 HydrophobicContact CB-CD2 4.46Å; P74-Y77 HydrophobicContact CG-CE2 4.49Å; P74-Y77 PolarHBondContact O-N 2.92Å; P74-Y77 VanDerWaalsContact O-N 3.13Å; Y77-N79 PolarHBondContact O-N 2.83Å; Y77-T80 WeakPolarHBondContact O-CB 3.38Å; Y77-T80 PolarHBondContact O-N 3.12Å; Y77-T80 VanDerWaalsContact O-N 3.09Å; Y77-T80 PolarHBondContact O-OG1 3.02Å; Y77-W101 WeakPolarHBondContact OH-CZ3 3.28Å; Y77-E104 HydrophobicContact CE2-CG 3.68Å; Y77-E104 WeakPolarHBondContact CE2-OE1 3.24Å; Y77-E104 PolarHBondContact OH-OE1 3.26Å; Y77-L105 HydrophobicContact CD1-CD2 3.84Å; Y77-L105 HydrophobicContact CE1-CD2 3.96Å; Y77-L105 HydrophobicContact CG-CD2 4.14Å; Y77-N108 HydrophobicContact CD2-CB 3.69Å; Y77-N108 HydrophobicContact CG-CB 4.35Å
78	R	86.5	Confident	90.2	Very high	181 Å²	181	45 Å²	45	68%	0.683	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	134.2	-178.7	-170.8	176.7	-177.1	170.8	2.1	111.2	K9 T80	K9-R78 PolarHBondContact NZ-O 3.03Å; R78-T80 PolarHBondContact O-N 2.89Å; R78-T80 VanDerWaalsContact O-N 3.17Å
79	N	87.9	Confident	91.1	Very high	91 Å²	91	37.1 Å²	37.1	49%	0.487	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	16.7	179.5	-57.7	-28.1	0	0	0	115.2	Y77	Y77-N79 PolarHBondContact O-N 2.83Å
80	T	95.5	Very high	91.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.			trans	-65.4	140.7	174.8	-69.2	0	0	0	0	111.1	V11 Y76 Y77 R78 A82 I109 K111	V11-T80 HydrophobicContact CB-CG2 4.43Å; V11-T80 HydrophobicContact CG1-CG2 3.96Å; V11-T80 VanDerWaalsContact CG1-OG1 3.28Å; V11-T80 WeakPolarHBondContact CG1-OG1 2.94Å; V11-T80 HydrophobicContact CG2-CG2 3.82Å; Y76-T80 PolarHBondContact O-OG1 3.41Å; Y77-T80 WeakPolarHBondContact O-CB 3.38Å; Y77-T80 PolarHBondContact O-N 3.12Å; Y77-T80 VanDerWaalsContact O-N 3.09Å; Y77-T80 PolarHBondContact O-OG1 3.02Å; R78-T80 PolarHBondContact O-N 2.89Å; R78-T80 VanDerWaalsContact O-N 3.17Å; T80-A82 WeakPolarHBondContact CG2-O 3.28Å; T80-I109 HydrophobicContact CG2-CD1 4.07Å; T80-K111 WeakPolarHBondContact O-CE 3.42Å
81	D	97.5	Very high	93	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	19%	0.194	C	C	.	.	S	Bend	trans	-107.1	-22.7	178.5	-59.4	-59.6	0	0	0	112.7	T8 K9 K111 F113 A114 M168 R175 R181	T8-D81 WeakPolarHBondContact CA-OD2 3.38Å; K9-D81 PolarHBondContact N-OD2 3.3Å; K9-D81 PolarHBondContact O-N 2.96Å; D81-K111 IonicContact OD1-NZ 3.75Å; D81-K111 PolarHBondContact OD1-NZ 3.2Å; D81-F113 CarbonylContact O-C 3.46Å; D81-F113 WeakPolarHBondContact O-CA 3.5Å; D81-F113 WeakPolarHBondContact O-CB 3.46Å; D81-A114 PolarHBondContact O-N 3.21Å; D81-M168 HydrophobicContact CB-CG 3.58Å; D81-M168 HydrophobicContact CB-SD 3.51Å; D81-M168 VanDerWaalsContact CB-SD 3.51Å; D81-R175 IonicContact OD1-CZ 3.7Å; D81-R175 IonicContact OD1-NH1 3.78Å; D81-R175 IonicContact OD1-NH2 3.86Å; D81-R175 PolarHBondContact OD1-NH2 3.42Å; D81-R181 VanDerWaalsContact CG-NH1 3.25Å; D81-R181 IonicContact OD1-CZ 2.68Å; D81-R181 IonicContact OD1-NH1 3.66Å; D81-R181 PolarHBondContact OD1-NH1 2.81Å; D81-R181 IonicContact OD1-NH2 2.8Å; D81-R181 PolarHBondContact OD1-NH2 3.03Å; D81-R181 IonicContact OD2-CZ 3.6Å; D81-R181 IonicContact OD2-NH1 3.47Å; D81-R181 PolarHBondContact OD2-NH1 3.08Å; D81-R181 IonicContact OD2-NH2 3.69Å
82	A	98.4	Very high	93.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	148.6	174.4	0	0	0	0	0	112.8	K9 L10 V11 T80 A114 T164 M168	K9-A82 PolarHBondContact O-N 3.33Å; K9-A82 VanDerWaalsContact O-N 3.1Å; L10-A82 VanDerWaalsContact CA-O 3.28Å; L10-A82 WeakPolarHBondContact CA-O 3.29Å; L10-A82 HydrophobicContact CB-CB 4.34Å; L10-A82 HydrophobicContact CD1-CB 4.08Å; L10-A82 HydrophobicContact CG-CB 4.19Å; V11-A82 PolarHBondContact N-O 2.66Å; T80-A82 WeakPolarHBondContact CG2-O 3.28Å; A82-A114 CarbonylContact C-O 3.58Å; A82-A114 WeakPolarHBondContact CA-O 2.99Å; A82-A114 HydrophobicContact CB-CB 3.99Å; A82-T164 HydrophobicContact CB-CG2 3.58Å; A82-M168 HydrophobicContact CB-CB 4.44Å; A82-M168 HydrophobicContact CB-CG 4.39Å; A82-M168 HydrophobicContact CB-SD 3.76Å
83	A	98.4	Very high	94.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	129.9	173.9	0	0	0	0	0	111.1	V11 L105 F113 A114 C116	V11-A83 HydrophobicContact CG2-CB 3.76Å; V11-A83 CarbonylContact O-C 3.57Å; V11-A83 WeakPolarHBondContact O-CA 3.47Å; A83-L105 HydrophobicContact CB-CD1 3.65Å; A83-L105 HydrophobicContact CB-CD2 4.16Å; A83-F113 HydrophobicContact CB-CD2 4.16Å; A83-F113 HydrophobicContact CB-CE2 3.89Å; A83-A114 PolarHBondContact N-O 2.95Å; A83-C116 PolarHBondContact O-N 2.87Å
84	L	98.8	Very high	95.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.1	167	-52.3	-174.1	0	0	0	108.8	L10 V11 L12 V13 V86 C116 V118 F161 T164	L10-L84 HydrophobicContact CD1-CD2 4.48Å; L10-L84 HydrophobicContact CD1-CG 4.26Å; L10-L84 HydrophobicContact CD2-CD1 4.29Å; L10-L84 HydrophobicContact CD2-CG 4.18Å; L10-L84 HydrophobicContact CG-CG 4.49Å; V11-L84 PolarHBondContact O-N 3.12Å; L12-L84 WeakPolarHBondContact CA-O 3.34Å; L12-L84 HydrophobicContact CD2-CD1 4.23Å; L12-L84 HydrophobicContact CG-CB 4.16Å; L12-L84 HydrophobicContact CG-CD1 4.21Å; L12-L84 HydrophobicContact CG-CG 4.48Å; V13-L84 PolarHBondContact N-O 3.13Å; L84-V86 HydrophobicContact CB-CG2 4.38Å; L84-C116 CarbonylContact C-O 3.45Å; L84-C116 WeakPolarHBondContact CA-O 3.48Å; L84-C116 HydrophobicContact CD2-CB 3.59Å; L84-V118 HydrophobicContact CB-CG2 4.15Å; L84-V118 HydrophobicContact CD2-CG2 4.28Å; L84-F161 HydrophobicContact CD1-CE1 4.46Å; L84-F161 HydrophobicContact CD1-CE2 4.49Å; L84-F161 HydrophobicContact CD1-CZ 4.21Å; L84-T164 HydrophobicContact CD2-CG2 4.04Å
85	I	98.5	Very high	96	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	103.2	175.7	-48.4	176.3	0	0	0	107.6	V13 V98 W101 I102 L105 M115 C116 V118	V13-I85 HydrophobicContact CG2-CB 4.28Å; V13-I85 HydrophobicContact CG2-CG1 3.88Å; V13-I85 HydrophobicContact CG2-CG2 4.25Å; I85-V98 HydrophobicContact CG2-CB 4.38Å; I85-V98 HydrophobicContact CG2-CG1 3.91Å; I85-V98 HydrophobicContact CG2-CG2 4.26Å; I85-W101 HydrophobicContact CG2-CB 3.77Å; I85-W101 HydrophobicContact CG2-CG 4.33Å; I85-I102 HydrophobicContact CD1-CB 4.37Å; I85-I102 HydrophobicContact CD1-CD1 4.48Å; I85-I102 HydrophobicContact CD1-CG1 3.4Å; I85-I102 VanDerWaalsContact CD1-CG1 3.4Å; I85-L105 HydrophobicContact CD1-CD1 3.69Å; I85-L105 HydrophobicContact CG1-CD1 3.77Å; I85-M115 HydrophobicContact CD1-CG 3.96Å; I85-M115 HydrophobicContact CD1-SD 3.94Å; I85-C116 PolarHBondContact N-O 2.84Å; I85-V118 PolarHBondContact O-N 3.21Å
86	V	98.8	Very high	96.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.3	-170.1	-169.2	0	0	0	0	110.5	L12 V13 V18 K20 I23 L84 V118 N120	L12-V86 HydrophobicContact CD2-CG2 4.42Å; V13-V86 PolarHBondContact O-N 3.2Å; V18-V86 HydrophobicContact CB-CG1 4.23Å; V18-V86 HydrophobicContact CG2-CB 3.9Å; V18-V86 HydrophobicContact CG2-CG1 3.81Å; K20-V86 HydrophobicContact CG-CB 3.96Å; K20-V86 HydrophobicContact CG-CG2 3.99Å; I23-V86 HydrophobicContact CD1-CG1 3.76Å; I23-V86 HydrophobicContact CD1-CG2 4.16Å; L84-V86 HydrophobicContact CB-CG2 4.38Å; V86-V118 WeakPolarHBondContact CA-O 3.38Å; V86-V118 HydrophobicContact CG2-CB 4.34Å; V86-N120 HydrophobicContact CG1-CB 3.84Å
87	Y	98.8	Very high	96.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	166.5	167.2	75.4	-84.2	0	0	0	110.2	I89 F95 V98 I117 V118 N120 V130 A135 F146	Y87-I89 HydrophobicContact CE2-CG2 4.04Å; Y87-F95 HydrophobicContact CD1-CD2 4.05Å; Y87-F95 HydrophobicContact CD2-CB 3.73Å; Y87-F95 HydrophobicContact CD2-CD2 4.01Å; Y87-F95 HydrophobicContact CD2-CG 4.33Å; Y87-F95 HydrophobicContact CE1-CD2 4Å; Y87-F95 HydrophobicContact CE2-CB 4.24Å; Y87-F95 AromaticContact CE2-CD2 3.98Å; Y87-F95 HydrophobicContact CE2-CD2 3.98Å; Y87-F95 HydrophobicContact CE2-CG 4.46Å; Y87-F95 HydrophobicContact CG-CB 4.12Å; Y87-F95 HydrophobicContact CG-CD2 4.05Å; Y87-F95 AromaticContact CZ-CD2 3.98Å; Y87-V98 HydrophobicContact CD1-CG2 4.18Å; Y87-V98 HydrophobicContact CG-CG2 4.33Å; Y87-I117 HydrophobicContact CD1-CG2 4.05Å; Y87-I117 HydrophobicContact CE1-CG2 3.9Å; Y87-V118 WeakPolarHBondContact CD1-O 3.28Å; Y87-V118 PolarHBondContact N-O 2.88Å; Y87-N120 PolarHBondContact O-N 3.12Å; Y87-V130 HydrophobicContact CD2-CG2 4.36Å; Y87-V130 HydrophobicContact CE2-CB 3.94Å; Y87-V130 HydrophobicContact CE2-CG1 3.81Å; Y87-V130 HydrophobicContact CE2-CG2 4.1Å; Y87-A135 HydrophobicContact CE1-CB 4.11Å; Y87-A135 WeakPolarHBondContact OH-CB 3.11Å; Y87-F146 HydrophobicContact CE1-CE2 4.3Å
88	D	98.7	Very high	97.2	Very high	9 Å²	9	35.7 Å²	35.7	5%	0.048	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.4	175.5	171.8	-6.1	0	0	0	109.2	V18 T90 N91 S94 K121	V18-D88 HydrophobicContact CB-CB 4.36Å; V18-D88 HydrophobicContact CG1-CB 4.24Å; D88-T90 VanDerWaalsContact CG-OG1 3.24Å; D88-T90 PolarHBondContact O-N 2.74Å; D88-T90 VanDerWaalsContact O-N 3.08Å; D88-T90 WeakPolarHBondContact OD1-CB 3.42Å; D88-T90 PolarHBondContact OD1-N 2.66Å; D88-T90 PolarHBondContact OD1-OG1 2.67Å; D88-T90 PolarHBondContact OD2-OG1 3.27Å; D88-N91 HydrophobicContact CB-CB 3.99Å; D88-N91 PolarHBondContact O-N 3.09Å; D88-N91 VanDerWaalsContact O-O 3.12Å; D88-S94 PolarHBondContact N-OG 2.88Å; D88-S94 PolarHBondContact O-OG 2.83Å; D88-K121 HydrophobicContact CB-CD 4.42Å; D88-K121 WeakPolarHBondContact OD2-CD 3.28Å; D88-K121 WeakPolarHBondContact OD2-CE 3.22Å; D88-K121 IonicContact OD2-NZ 2.66Å; D88-K121 PolarHBondContact OD2-NZ 3.03Å
89	I	98.8	Very high	97.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21	-177.1	65.6	160.6	0	0	0	113.7	Y87 N120 K121 A129 V130	Y87-I89 HydrophobicContact CE2-CG2 4.04Å; I89-N120 WeakPolarHBondContact CG1-O 3.16Å; I89-N120 WeakPolarHBondContact CG2-O 3.37Å; I89-N120 PolarHBondContact N-O 3.07Å; I89-K121 WeakPolarHBondContact CD1-O 3.4Å; I89-A129 PolarHBondContact O-N 2.7Å; I89-V130 PolarHBondContact O-N 2.75Å; I89-V130 VanDerWaalsContact O-N 3.09Å
90	T	98.7	Very high	98.1	Very high	40 Å²	40	31.1 Å²	31.1	25%	0.245	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-7.9	179.1	71.3	0	0	0	0	112.8	D88 L124 L127 A129	D88-T90 VanDerWaalsContact CG-OG1 3.24Å; D88-T90 PolarHBondContact O-N 2.74Å; D88-T90 VanDerWaalsContact O-N 3.08Å; D88-T90 WeakPolarHBondContact OD1-CB 3.42Å; D88-T90 PolarHBondContact OD1-N 2.66Å; D88-T90 PolarHBondContact OD1-OG1 2.67Å; D88-T90 PolarHBondContact OD2-OG1 3.27Å; T90-L124 HydrophobicContact CG2-CB 3.61Å; T90-L124 HydrophobicContact CG2-CD1 4.19Å; T90-L127 HydrophobicContact CG2-CB 3.92Å; T90-A129 VanDerWaalsContact O-CB 3.31Å; T90-A129 WeakPolarHBondContact O-CB 3.33Å
91	N	98.5	Very high	98.1	Very high	66 Å²	66	31.7 Å²	31.7	35%	0.353	16%	0.163	S	C	.	.			trans	-123.1	104.5	-176.2	-177.2	-28.9	0	0	0	110.9	D88 D93 S94 F95	D88-N91 HydrophobicContact CB-CB 3.99Å; D88-N91 PolarHBondContact O-N 3.09Å; D88-N91 VanDerWaalsContact O-O 3.12Å; N91-D93 PolarHBondContact O-N 3.33Å; N91-D93 WeakPolarHBondContact OD1-CB 3.29Å; N91-D93 PolarHBondContact OD1-N 3.33Å; N91-D93 VanDerWaalsContact OD1-N 3.07Å; N91-S94 WeakPolarHBondContact O-CB 3.41Å; N91-S94 PolarHBondContact O-N 3.06Å; N91-S94 PolarHBondContact O-OG 3Å; N91-S94 PolarHBondContact OD1-N 3.24Å; N91-F95 PolarHBondContact O-N 2.85Å
92	R	98.4	Very high	98.1	Very high	111 Å²	111	32 Å²	32	42%	0.419	16%	0.164	S	C	.	.	H	α-helix	trans	-62.9	-41	-179	-179.3	56.3	-177.2	-97.6	-4.6	113.3	S94 F95 D96 A129	R92-S94 PolarHBondContact O-N 2.94Å; R92-F95 WeakPolarHBondContact O-CA 3.16Å; R92-F95 WeakPolarHBondContact O-CB 3.41Å; R92-F95 PolarHBondContact O-N 3.34Å; R92-D96 IonicContact CZ-OD1 2.82Å; R92-D96 IonicContact NE-OD1 3.6Å; R92-D96 PolarHBondContact NE-OD1 3.47Å; R92-D96 IonicContact NE-OD2 3.63Å; R92-D96 PolarHBondContact NE-OD2 2.94Å; R92-D96 IonicContact NH2-OD1 3.68Å; R92-D96 PolarHBondContact O-N 2.77Å; R92-A129 HydrophobicContact CB-CB 4.38Å
93	D	98.3	Very high	97.9	Very high	125 Å²	125	36 Å²	36	67%	0.668	19%	0.186	S	C	*	.	H	α-helix	trans	-60.1	-35.4	178.9	-59.7	-23.2	0	0	0	111.2	N91 F95 D96 A97	N91-D93 PolarHBondContact O-N 3.33Å; N91-D93 WeakPolarHBondContact OD1-CB 3.29Å; N91-D93 PolarHBondContact OD1-N 3.33Å; N91-D93 VanDerWaalsContact OD1-N 3.07Å; D93-F95 VanDerWaalsContact C-N 3.28Å; D93-F95 PolarHBondContact O-N 3.38Å; D93-D96 PolarHBondContact O-N 3.35Å; D93-A97 PolarHBondContact O-N 2.84Å; D93-A97 VanDerWaalsContact O-N 3.1Å
94	S	98.2	Very high	97.7	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-32.7	177.4	81.8	0	0	0	0	113.1	D88 N91 R92	D88-S94 PolarHBondContact N-OG 2.88Å; D88-S94 PolarHBondContact O-OG 2.83Å; N91-S94 WeakPolarHBondContact O-CB 3.41Å; N91-S94 PolarHBondContact O-N 3.06Å; N91-S94 PolarHBondContact O-OG 3Å; N91-S94 PolarHBondContact OD1-N 3.24Å; R92-S94 PolarHBondContact O-N 2.94Å
95	F	98.8	Very high	97.6	Very high	11 Å²	11	36.5 Å²	36.5	5%	0.048	19%	0.188	C	C	.	.	H	α-helix	trans	-76.1	-42.2	174	173.8	-101.5	0	0	0	111.8	Y87 N91 R92 D93 A97 V98 V130 V134 A135 L138	Y87-F95 HydrophobicContact CD1-CD2 4.05Å; Y87-F95 HydrophobicContact CD2-CB 3.73Å; Y87-F95 HydrophobicContact CD2-CD2 4.01Å; Y87-F95 HydrophobicContact CD2-CG 4.33Å; Y87-F95 HydrophobicContact CE1-CD2 4Å; Y87-F95 HydrophobicContact CE2-CB 4.24Å; Y87-F95 AromaticContact CE2-CD2 3.98Å; Y87-F95 HydrophobicContact CE2-CD2 3.98Å; Y87-F95 HydrophobicContact CE2-CG 4.46Å; Y87-F95 HydrophobicContact CG-CB 4.12Å; Y87-F95 HydrophobicContact CG-CD2 4.05Å; Y87-F95 AromaticContact CZ-CD2 3.98Å; N91-F95 PolarHBondContact O-N 2.85Å; R92-F95 WeakPolarHBondContact O-CA 3.16Å; R92-F95 WeakPolarHBondContact O-CB 3.41Å; R92-F95 PolarHBondContact O-N 3.34Å; D93-F95 VanDerWaalsContact C-N 3.28Å; D93-F95 PolarHBondContact O-N 3.38Å; F95-A97 PolarHBondContact O-N 2.82Å; F95-V98 HydrophobicContact CD2-CG2 4.28Å; F95-V98 WeakPolarHBondContact O-CB 3.1Å; F95-V98 VanDerWaalsContact O-CG2 3.24Å; F95-V98 WeakPolarHBondContact O-CG2 3.4Å; F95-V98 PolarHBondContact O-N 2.9Å; F95-V130 HydrophobicContact CB-CG1 4.09Å; F95-V130 HydrophobicContact CB-CG2 3.65Å; F95-V130 HydrophobicContact CD1-CG1 3.96Å; F95-V130 HydrophobicContact CD2-CG1 3.86Å; F95-V130 HydrophobicContact CE1-CG1 4.38Å; F95-V130 HydrophobicContact CE2-CG1 4.31Å; F95-V130 HydrophobicContact CG-CG1 3.66Å; F95-V130 HydrophobicContact CG-CG2 4.15Å; F95-V134 HydrophobicContact CE1-CG1 3.68Å; F95-V134 HydrophobicContact CZ-CG1 3.89Å; F95-A135 HydrophobicContact CD2-CB 4.19Å; F95-A135 HydrophobicContact CE2-CB 3.53Å; F95-A135 HydrophobicContact CZ-CB 4.17Å; F95-L138 HydrophobicContact CE2-CD2 3.78Å; F95-L138 HydrophobicContact CZ-CB 4.18Å; F95-L138 HydrophobicContact CZ-CD2 3.69Å
96	D	98.3	Very high	97.4	Very high	81 Å²	81	40.7 Å²	40.7	43%	0.433	21%	0.21	S	C	.	.	H	α-helix	trans	-62.1	-29.4	179.5	-68.7	-20.1	0	0	0	111.2	R92 D93 V98	R92-D96 IonicContact CZ-OD1 2.82Å; R92-D96 IonicContact NE-OD1 3.6Å; R92-D96 PolarHBondContact NE-OD1 3.47Å; R92-D96 IonicContact NE-OD2 3.63Å; R92-D96 PolarHBondContact NE-OD2 2.94Å; R92-D96 IonicContact NH2-OD1 3.68Å; R92-D96 PolarHBondContact O-N 2.77Å; D93-D96 PolarHBondContact O-N 3.35Å; D96-V98 VanDerWaalsContact C-N 3.3Å; D96-V98 PolarHBondContact O-N 2.79Å
97	A	96.9	Very high	97.2	Very high	28 Å²	28	48.5 Å²	48.5	23%	0.231	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.8	172	0	0	0	0	0	114.7	P15 D93 F95 K99 S100 W101	P15-A97 HydrophobicContact CG-CB 3.81Å; D93-A97 PolarHBondContact O-N 2.84Å; D93-A97 VanDerWaalsContact O-N 3.1Å; F95-A97 PolarHBondContact O-N 2.82Å; A97-K99 VanDerWaalsContact C-N 3.28Å; A97-K99 PolarHBondContact O-N 2.81Å; A97-S100 WeakPolarHBondContact O-CB 3.23Å; A97-S100 PolarHBondContact O-N 3.43Å; A97-S100 PolarHBondContact O-OG 3.15Å; A97-W101 PolarHBondContact O-N 2.63Å
98	V	98.2	Very high	97	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.1	-40.9	-175.3	169.9	0	0	0	0	111.7	I85 Y87 F95 D96 S100 W101 I102 I117 L138	I85-V98 HydrophobicContact CG2-CB 4.38Å; I85-V98 HydrophobicContact CG2-CG1 3.91Å; I85-V98 HydrophobicContact CG2-CG2 4.26Å; Y87-V98 HydrophobicContact CD1-CG2 4.18Å; Y87-V98 HydrophobicContact CG-CG2 4.33Å; F95-V98 HydrophobicContact CD2-CG2 4.28Å; F95-V98 WeakPolarHBondContact O-CB 3.1Å; F95-V98 VanDerWaalsContact O-CG2 3.24Å; F95-V98 WeakPolarHBondContact O-CG2 3.4Å; F95-V98 PolarHBondContact O-N 2.9Å; D96-V98 VanDerWaalsContact C-N 3.3Å; D96-V98 PolarHBondContact O-N 2.79Å; V98-S100 VanDerWaalsContact C-N 3.31Å; V98-S100 PolarHBondContact O-N 3.17Å; V98-W101 WeakPolarHBondContact O-CB 3.46Å; V98-W101 PolarHBondContact O-N 3.29Å; V98-W101 VanDerWaalsContact O-N 3.09Å; V98-I102 HydrophobicContact CG1-CD1 3.9Å; V98-I102 HydrophobicContact CG1-CG1 4.29Å; V98-I102 WeakPolarHBondContact O-CG1 3.41Å; V98-I102 PolarHBondContact O-N 2.96Å; V98-I117 HydrophobicContact CG1-CD1 3.91Å; V98-I117 HydrophobicContact CG1-CG1 4.23Å; V98-I117 HydrophobicContact CG1-CG2 4.19Å; V98-L138 HydrophobicContact CB-CD2 4.15Å; V98-L138 HydrophobicContact CG1-CD2 3.75Å
99	K	97.5	Very high	96.8	Very high	129 Å²	129	51.6 Å²	51.6	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-58.1	-43.1	177.9	-71.2	-177.4	177.7	-178.7	0	112.4	A97 W101 I102 D103 L138	A97-K99 VanDerWaalsContact C-N 3.28Å; A97-K99 PolarHBondContact O-N 2.81Å; K99-W101 VanDerWaalsContact C-N 3.27Å; K99-W101 PolarHBondContact O-N 3.46Å; K99-I102 WeakPolarHBondContact O-CB 3.43Å; K99-I102 PolarHBondContact O-N 2.88Å; K99-D103 VanDerWaalsContact O-CG 3.3Å; K99-D103 PolarHBondContact O-N 2.94Å; K99-L138 HydrophobicContact CD-CD1 4.48Å; K99-L138 HydrophobicContact CG-CD1 3.94Å; K99-L138 HydrophobicContact CG-CD2 4.28Å
100	S	95.6	Very high	96.5	Very high	47 Å²	47	58.4 Å²	58.4	33%	0.329	29%	0.293	S	S	.	.	H	α-helix	trans	-62.7	-34.5	177.7	75.9	0	0	0	0	112.8	A97 V98 E104	A97-S100 WeakPolarHBondContact O-CB 3.23Å; A97-S100 PolarHBondContact O-N 3.43Å; A97-S100 PolarHBondContact O-OG 3.15Å; V98-S100 VanDerWaalsContact C-N 3.31Å; V98-S100 PolarHBondContact O-N 3.17Å; S100-E104 WeakPolarHBondContact O-CB 3.33Å; S100-E104 PolarHBondContact O-N 3Å
101	W	95.5	Very high	96.3	Very high	13 Å²	13	58.1 Å²	58.1	5%	0.049	29%	0.288	C	S	.	.	H	α-helix	trans	-73.1	-38.3	176	-69.2	109.5	0	0	0	111.9	V13 R70 Y77 I85 A97 V98 K99 E104 L105	V13-W101 HydrophobicContact CB-CD2 4.28Å; V13-W101 HydrophobicContact CB-CE3 3.85Å; V13-W101 HydrophobicContact CB-CZ3 4.17Å; V13-W101 HydrophobicContact CG1-CE3 4.42Å; V13-W101 HydrophobicContact CG1-CZ3 4.5Å; V13-W101 HydrophobicContact CG2-CB 4.31Å; V13-W101 HydrophobicContact CG2-CD2 4.46Å; V13-W101 HydrophobicContact CG2-CE3 4.24Å; R70-W101 HydrophobicContact CG-CH2 4.44Å; Y77-W101 WeakPolarHBondContact OH-CZ3 3.28Å; I85-W101 HydrophobicContact CG2-CB 3.77Å; I85-W101 HydrophobicContact CG2-CG 4.33Å; A97-W101 PolarHBondContact O-N 2.63Å; V98-W101 WeakPolarHBondContact O-CB 3.46Å; V98-W101 PolarHBondContact O-N 3.29Å; V98-W101 VanDerWaalsContact O-N 3.09Å; K99-W101 VanDerWaalsContact C-N 3.27Å; K99-W101 PolarHBondContact O-N 3.46Å; W101-E104 WeakPolarHBondContact CZ3-OE2 3.27Å; W101-E104 PolarHBondContact O-N 2.92Å; W101-L105 VanDerWaalsContact O-CG 3.28Å; W101-L105 WeakPolarHBondContact O-CG 3.03Å; W101-L105 PolarHBondContact O-N 3.21Å
102	I	97.2	Very high	96.1	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-57.5	-52.2	171.9	-68	170.7	0	0	0	109.7	I85 V98 K99 E104 L105 N106 M115 I117 L138	I85-I102 HydrophobicContact CD1-CB 4.37Å; I85-I102 HydrophobicContact CD1-CD1 4.48Å; I85-I102 HydrophobicContact CD1-CG1 3.4Å; I85-I102 VanDerWaalsContact CD1-CG1 3.4Å; V98-I102 HydrophobicContact CG1-CD1 3.9Å; V98-I102 HydrophobicContact CG1-CG1 4.29Å; V98-I102 WeakPolarHBondContact O-CG1 3.41Å; V98-I102 PolarHBondContact O-N 2.96Å; K99-I102 WeakPolarHBondContact O-CB 3.43Å; K99-I102 PolarHBondContact O-N 2.88Å; I102-E104 VanDerWaalsContact C-N 3.28Å; I102-E104 PolarHBondContact O-N 3.39Å; I102-L105 PolarHBondContact O-N 3.19Å; I102-N106 WeakPolarHBondContact O-CB 3.35Å; I102-N106 PolarHBondContact O-N 3.13Å; I102-N106 PolarHBondContact O-ND2 3.11Å; I102-M115 HydrophobicContact CB-SD 4.44Å; I102-M115 HydrophobicContact CD1-SD 4.45Å; I102-M115 HydrophobicContact CG1-SD 3.87Å; I102-M115 HydrophobicContact CG2-CE 4.05Å; I102-M115 HydrophobicContact CG2-SD 4.09Å; I102-I117 HydrophobicContact CD1-CD1 3.96Å; I102-L138 HydrophobicContact CD1-CD1 4.48Å; I102-L138 HydrophobicContact CD1-CG 4.47Å
103	D	95.8	Very high	96.1	Very high	85 Å²	85	54.9 Å²	54.9	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-63.1	-37.7	-178.6	-61.6	-26.9	0	0	0	111.7	K99 R107	K99-D103 VanDerWaalsContact O-CG 3.3Å; K99-D103 PolarHBondContact O-N 2.94Å; D103-R107 VanDerWaalsContact CB-NH1 3.29Å; D103-R107 WeakPolarHBondContact O-CB 3.11Å; D103-R107 VanDerWaalsContact O-CG 3.28Å; D103-R107 WeakPolarHBondContact O-CG 3.25Å; D103-R107 PolarHBondContact O-N 3.19Å
104	E	93.7	Very high	96.1	Very high	10 Å²	10	49 Å²	49	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-45.7	176.3	-179.6	177.6	-169.2	0	0	112.7	R70 Y77 S100 W101 I102 R107 N108	R70-E104 IonicContact CZ-OE1 2.85Å; R70-E104 IonicContact CZ-OE2 3.37Å; R70-E104 IonicContact NH1-OE1 3.74Å; R70-E104 IonicContact NH1-OE2 2.7Å; R70-E104 PolarHBondContact NH1-OE2 2.94Å; R70-E104 IonicContact NH2-OE1 3.56Å; R70-E104 IonicContact NH2-OE2 3.96Å; R70-E104 PolarHBondContact NH2-OE2 3.15Å; Y77-E104 HydrophobicContact CE2-CG 3.68Å; Y77-E104 WeakPolarHBondContact CE2-OE1 3.24Å; Y77-E104 PolarHBondContact OH-OE1 3.26Å; S100-E104 WeakPolarHBondContact O-CB 3.33Å; S100-E104 PolarHBondContact O-N 3Å; W101-E104 WeakPolarHBondContact CZ3-OE2 3.27Å; W101-E104 PolarHBondContact O-N 2.92Å; I102-E104 VanDerWaalsContact C-N 3.28Å; I102-E104 PolarHBondContact O-N 3.39Å; E104-R107 VanDerWaalsContact CA-NH2 3.33Å; E104-R107 PolarHBondContact O-N 2.94Å; E104-N108 PolarHBondContact O-N 2.99Å; E104-N108 PolarHBondContact O-ND2 2.6Å
105	L	95.9	Very high	96.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-46.5	176.5	-70.6	167.1	0	0	0	110.7	V11 V13 Y77 A83 I85 W101 I102 R107 N108 I109 F113	V11-L105 HydrophobicContact CG2-CD2 4.24Å; V13-L105 HydrophobicContact CG2-CD1 3.96Å; Y77-L105 HydrophobicContact CD1-CD2 3.84Å; Y77-L105 HydrophobicContact CE1-CD2 3.96Å; Y77-L105 HydrophobicContact CG-CD2 4.14Å; A83-L105 HydrophobicContact CB-CD1 3.65Å; A83-L105 HydrophobicContact CB-CD2 4.16Å; I85-L105 HydrophobicContact CD1-CD1 3.69Å; I85-L105 HydrophobicContact CG1-CD1 3.77Å; W101-L105 VanDerWaalsContact O-CG 3.28Å; W101-L105 WeakPolarHBondContact O-CG 3.03Å; W101-L105 PolarHBondContact O-N 3.21Å; I102-L105 PolarHBondContact O-N 3.19Å; L105-R107 VanDerWaalsContact C-N 3.26Å; L105-R107 PolarHBondContact O-N 3.18Å; L105-N108 PolarHBondContact O-N 3.23Å; L105-N108 VanDerWaalsContact O-N 3.07Å; L105-I109 HydrophobicContact CB-CD1 4.29Å; L105-I109 HydrophobicContact CD2-CD1 3.92Å; L105-I109 WeakPolarHBondContact O-CB 3.48Å; L105-I109 WeakPolarHBondContact O-CG1 3.44Å; L105-I109 PolarHBondContact O-N 2.86Å; L105-F113 HydrophobicContact CB-CE2 4.3Å; L105-F113 HydrophobicContact CB-CZ 3.8Å; L105-F113 HydrophobicContact CD1-CE2 4.42Å
106	N	95.9	Very high	96.1	Very high	88 Å²	88	48.9 Å²	48.9	47%	0.471	25%	0.25	S	S	.	.	H	α-helix	trans	-63.4	-29.6	178.4	-73	-25.4	0	0	0	113.2	I102	I102-N106 WeakPolarHBondContact O-CB 3.35Å; I102-N106 PolarHBondContact O-N 3.13Å; I102-N106 PolarHBondContact O-ND2 3.11Å
107	R	94.4	Very high	96.2	Very high	164 Å²	164	45 Å²	45	62%	0.619	23%	0.23	S	C	*	.	H	α-helix	trans	-74.1	-26.7	173.6	-79.1	-171.9	-58.5	-91.8	-2.6	113.8	D103 E104 L105	D103-R107 VanDerWaalsContact CB-NH1 3.29Å; D103-R107 WeakPolarHBondContact O-CB 3.11Å; D103-R107 VanDerWaalsContact O-CG 3.28Å; D103-R107 WeakPolarHBondContact O-CG 3.25Å; D103-R107 PolarHBondContact O-N 3.19Å; E104-R107 VanDerWaalsContact CA-NH2 3.33Å; E104-R107 PolarHBondContact O-N 2.94Å; L105-R107 VanDerWaalsContact C-N 3.26Å; L105-R107 PolarHBondContact O-N 3.18Å
108	N	93.7	Very high	96.3	Very high	64 Å²	64	43.7 Å²	43.7	34%	0.342	22%	0.219	S	C	.	.	H	α-helix	trans	-111.5	-10.9	-170.1	-71	-82.4	0	0	0	114.1	Y77 E104 L105	Y77-N108 HydrophobicContact CD2-CB 3.69Å; Y77-N108 HydrophobicContact CG-CB 4.35Å; E104-N108 PolarHBondContact O-N 2.99Å; E104-N108 PolarHBondContact O-ND2 2.6Å; L105-N108 PolarHBondContact O-N 3.23Å; L105-N108 VanDerWaalsContact O-N 3.07Å
109	I	95.4	Very high	96.3	Very high	11 Å²	11	43.7 Å²	43.7	6%	0.056	22%	0.219	C	C	.	.			trans	-110.9	113	176.4	-55.5	175.3	0	0	0	108.1	T80 L105 K111 F113	T80-I109 HydrophobicContact CG2-CD1 4.07Å; L105-I109 HydrophobicContact CB-CD1 4.29Å; L105-I109 HydrophobicContact CD2-CD1 3.92Å; L105-I109 WeakPolarHBondContact O-CB 3.48Å; L105-I109 WeakPolarHBondContact O-CG1 3.44Å; L105-I109 PolarHBondContact O-N 2.86Å; I109-K111 VanDerWaalsContact C-N 3.27Å; I109-K111 HydrophobicContact CG2-CG 4.03Å; I109-K111 WeakPolarHBondContact CG2-O 3.13Å; I109-K111 PolarHBondContact O-N 2.9Å; I109-F113 HydrophobicContact CB-CD1 3.93Å; I109-F113 HydrophobicContact CB-CE1 3.96Å; I109-F113 HydrophobicContact CD1-CD1 3.99Å; I109-F113 HydrophobicContact CD1-CD2 4.04Å; I109-F113 HydrophobicContact CD1-CE1 3.95Å; I109-F113 HydrophobicContact CD1-CE2 4Å; I109-F113 HydrophobicContact CD1-CG 4.03Å; I109-F113 HydrophobicContact CD1-CZ 3.95Å; I109-F113 HydrophobicContact CG2-CB 4.29Å; I109-F113 HydrophobicContact CG2-CD1 3.56Å; I109-F113 HydrophobicContact CG2-CE1 4.13Å; I109-F113 HydrophobicContact CG2-CG 4.1Å
110	D	91.9	Very high	96.4	Very high	142 Å²	142	37.8 Å²	37.8	76%	0.759	19%	0.193	S	C	*	.			trans	-88.5	15.9	-172.2	59.6	-15.5	0	0	0	113.9
111	K	94.1	Very high	96.5	Very high	35 Å²	35	38 Å²	38	15%	0.152	19%	0.189	C	C	.	.	S	Bend	trans	-146.3	155.6	-177.1	66.6	-171.5	-166.5	159	0	111.1	T80 D81 I109 F113 E177	T80-K111 WeakPolarHBondContact O-CE 3.42Å; D81-K111 IonicContact OD1-NZ 3.75Å; D81-K111 PolarHBondContact OD1-NZ 3.2Å; I109-K111 VanDerWaalsContact C-N 3.27Å; I109-K111 HydrophobicContact CG2-CG 4.03Å; I109-K111 WeakPolarHBondContact CG2-O 3.13Å; I109-K111 PolarHBondContact O-N 2.9Å; K111-F113 WeakPolarHBondContact O-CD1 3.15Å; K111-F113 PolarHBondContact O-N 3.1Å; K111-E177 IonicContact NZ-OE2 2.63Å
112	P	95.6	Very high	96.7	Very high	82 Å²	82	41.1 Å²	41.1	53%	0.532	20%	0.2	S	C	.	.			trans	-55.7	130.9	169.9	-25.6	35.3	0	0	0	111.5	L171 R175	P112-L171 HydrophobicContact CB-CD2 4Å; P112-R175 PolarHBondContact O-NH1 3.41Å
113	F	97.8	Very high	96.7	Very high	26 Å²	26	43.4 Å²	43.4	11%	0.114	21%	0.213	C	C	.	.			trans	-136.9	157	178.9	67.7	-81.9	0	0	0	110.5	D81 A83 L105 I109 K111 M115 L171	D81-F113 CarbonylContact O-C 3.46Å; D81-F113 WeakPolarHBondContact O-CA 3.5Å; D81-F113 WeakPolarHBondContact O-CB 3.46Å; A83-F113 HydrophobicContact CB-CD2 4.16Å; A83-F113 HydrophobicContact CB-CE2 3.89Å; L105-F113 HydrophobicContact CB-CE2 4.3Å; L105-F113 HydrophobicContact CB-CZ 3.8Å; L105-F113 HydrophobicContact CD1-CE2 4.42Å; I109-F113 HydrophobicContact CB-CD1 3.93Å; I109-F113 HydrophobicContact CB-CE1 3.96Å; I109-F113 HydrophobicContact CD1-CD1 3.99Å; I109-F113 HydrophobicContact CD1-CD2 4.04Å; I109-F113 HydrophobicContact CD1-CE1 3.95Å; I109-F113 HydrophobicContact CD1-CE2 4Å; I109-F113 HydrophobicContact CD1-CG 4.03Å; I109-F113 HydrophobicContact CD1-CZ 3.95Å; I109-F113 HydrophobicContact CG2-CB 4.29Å; I109-F113 HydrophobicContact CG2-CD1 3.56Å; I109-F113 HydrophobicContact CG2-CE1 4.13Å; I109-F113 HydrophobicContact CG2-CG 4.1Å; K111-F113 WeakPolarHBondContact O-CD1 3.15Å; K111-F113 PolarHBondContact O-N 3.1Å; F113-M115 HydrophobicContact CD2-CB 4.49Å; F113-M115 HydrophobicContact CE1-CE 4.39Å; F113-M115 HydrophobicContact CE2-CB 4Å; F113-M115 HydrophobicContact CE2-CE 3.75Å; F113-M115 HydrophobicContact CE2-CG 4.35Å; F113-M115 HydrophobicContact CZ-CE 3.38Å; F113-M115 PolarHBondContact O-N 3.35Å; F113-L171 WeakPolarHBondContact O-CD1 3.45Å
114	A	98.4	Very high	96.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	106.3	178.6	0	0	0	0	0	109.5	D81 A82 A83 T164 R167 M168 L171	D81-A114 PolarHBondContact O-N 3.21Å; A82-A114 CarbonylContact C-O 3.58Å; A82-A114 WeakPolarHBondContact CA-O 2.99Å; A82-A114 HydrophobicContact CB-CB 3.99Å; A83-A114 PolarHBondContact N-O 2.95Å; A114-T164 HydrophobicContact CB-CG2 4.4Å; A114-R167 HydrophobicContact CB-CB 3.96Å; A114-R167 HydrophobicContact CB-CG 3.73Å; A114-M168 HydrophobicContact CB-CB 4.15Å; A114-L171 HydrophobicContact CB-CD1 4.17Å; A114-L171 VanDerWaalsContact N-CD1 3.33Å
115	M	98.6	Very high	97	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.059	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	135.8	174.9	-170	-178.2	-66.5	0	0	110	I85 I102 F113 A144 L145	I85-M115 HydrophobicContact CD1-CG 3.96Å; I85-M115 HydrophobicContact CD1-SD 3.94Å; I102-M115 HydrophobicContact CB-SD 4.44Å; I102-M115 HydrophobicContact CD1-SD 4.45Å; I102-M115 HydrophobicContact CG1-SD 3.87Å; I102-M115 HydrophobicContact CG2-CE 4.05Å; I102-M115 HydrophobicContact CG2-SD 4.09Å; F113-M115 HydrophobicContact CD2-CB 4.49Å; F113-M115 HydrophobicContact CE1-CE 4.39Å; F113-M115 HydrophobicContact CE2-CB 4Å; F113-M115 HydrophobicContact CE2-CE 3.75Å; F113-M115 HydrophobicContact CE2-CG 4.35Å; F113-M115 HydrophobicContact CZ-CE 3.38Å; F113-M115 PolarHBondContact O-N 3.35Å; M115-A144 HydrophobicContact CB-CB 3.94Å; M115-A144 HydrophobicContact CG-CB 3.79Å; M115-A144 CarbonylContact O-C 3.43Å; M115-A144 VanDerWaalsContact O-CA 3.26Å; M115-A144 WeakPolarHBondContact O-CA 3.3Å; M115-A144 HydrophobicContact SD-CB 4.01Å; M115-L145 PolarHBondContact O-N 2.92Å
116	C	98.9	Very high	97.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	125.9	176.1	-178.6	0	0	0	0	110	A83 L84 I85 L145	A83-C116 PolarHBondContact O-N 2.87Å; L84-C116 CarbonylContact C-O 3.45Å; L84-C116 WeakPolarHBondContact CA-O 3.48Å; L84-C116 HydrophobicContact CD2-CB 3.59Å; I85-C116 PolarHBondContact N-O 2.84Å; C116-L145 CarbonylContact C-O 3.59Å; C116-L145 WeakPolarHBondContact CA-O 3.43Å; C116-L145 HydrophobicContact CB-CB 4.01Å
117	I	98.9	Very high	97.3	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127	173.7	-59.6	179.7	0	0	0	108.2	Y87 V98 I102 L138 A139 A144 L145 F146 F147	Y87-I117 HydrophobicContact CD1-CG2 4.05Å; Y87-I117 HydrophobicContact CE1-CG2 3.9Å; V98-I117 HydrophobicContact CG1-CD1 3.91Å; V98-I117 HydrophobicContact CG1-CG1 4.23Å; V98-I117 HydrophobicContact CG1-CG2 4.19Å; I102-I117 HydrophobicContact CD1-CD1 3.96Å; I117-L138 HydrophobicContact CD1-CD2 4.21Å; I117-L138 HydrophobicContact CD1-CG 3.97Å; I117-A139 HydrophobicContact CB-CB 4.38Å; I117-A139 HydrophobicContact CD1-CB 3.89Å; I117-A139 HydrophobicContact CG1-CB 4.36Å; I117-A144 HydrophobicContact CD1-CB 4.41Å; I117-A144 HydrophobicContact CG1-CB 4.14Å; I117-L145 PolarHBondContact N-O 3.49Å; I117-F146 HydrophobicContact CB-CD2 4.35Å; I117-F146 HydrophobicContact CG2-CD2 4.3Å; I117-F146 WeakPolarHBondContact O-CA 3.49Å; I117-F146 WeakPolarHBondContact O-CD2 3.38Å; I117-F147 PolarHBondContact O-N 3.48Å; I117-F147 VanDerWaalsContact O-N 3.15Å
118	V	98.9	Very high	97.5	Very high	1 Å²	1	47 Å²	47	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	112.1	-171.7	-171.7	0	0	0	0	110.8	I23 L84 I85 V86 Y87 N120 F147 T149 V160	I23-V118 HydrophobicContact CD1-CG1 4.45Å; L84-V118 HydrophobicContact CB-CG2 4.15Å; L84-V118 HydrophobicContact CD2-CG2 4.28Å; I85-V118 PolarHBondContact O-N 3.21Å; V86-V118 WeakPolarHBondContact CA-O 3.38Å; V86-V118 HydrophobicContact CG2-CB 4.34Å; Y87-V118 WeakPolarHBondContact CD1-O 3.28Å; Y87-V118 PolarHBondContact N-O 2.88Å; V118-N120 PolarHBondContact O-N 3.01Å; V118-F147 CarbonylContact C-O 3.45Å; V118-F147 WeakPolarHBondContact CA-O 3.44Å; V118-T149 HydrophobicContact CG1-CG2 3.69Å; V118-T149 WeakPolarHBondContact CG1-OG1 3.41Å; V118-V160 HydrophobicContact CG1-CG2 4.37Å; V118-V160 HydrophobicContact CG2-CG2 3.68Å
119	G	98.9	Very high	97.7	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	101.1	171.5	0	0	0	0	0	111.1	F147 E148 T149	G119-F147 PolarHBondContact N-O 3.47Å; G119-E148 CarbonylContact O-C 3.52Å; G119-E148 WeakPolarHBondContact O-CA 3.5Å; G119-E148 WeakPolarHBondContact O-CB 3.24Å; G119-T149 PolarHBondContact O-N 2.85Å
120	N	98.8	Very high	97.9	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	167.9	-178.3	-169.1	38.5	0	0	0	112.7	V18 I23 V86 Y87 I89 V118 T149 A151	V18-N120 PolarHBondContact O-ND2 2.68Å; I23-N120 HydrophobicContact CD1-CB 4.07Å; V86-N120 HydrophobicContact CG1-CB 3.84Å; Y87-N120 PolarHBondContact O-N 3.12Å; I89-N120 WeakPolarHBondContact CG1-O 3.16Å; I89-N120 WeakPolarHBondContact CG2-O 3.37Å; I89-N120 PolarHBondContact N-O 3.07Å; V118-N120 PolarHBondContact O-N 3.01Å; N120-T149 CarbonylContact C-O 3.54Å; N120-T149 WeakPolarHBondContact CA-O 3.39Å; N120-T149 PolarHBondContact OD1-O 2.98Å; N120-T149 PolarHBondContact OD1-OG1 2.81Å; N120-T149 VanDerWaalsContact OD1-OG1 3.09Å; N120-A151 PolarHBondContact OD1-N 2.92Å
121	K	98.4	Very high	98.2	Very high	53 Å²	53	41.9 Å²	41.9	23%	0.23	23%	0.228	C	C	.	.			trans	71.5	35.8	-176.5	-46.9	-168.1	-167.1	169.7	0	113.7	G17 D88 I89 D123 L124 T149	G17-K121 VanDerWaalsContact O-CE 3.29Å; G17-K121 WeakPolarHBondContact O-CE 3.47Å; G17-K121 PolarHBondContact O-NZ 3.48Å; D88-K121 HydrophobicContact CB-CD 4.42Å; D88-K121 WeakPolarHBondContact OD2-CD 3.28Å; D88-K121 WeakPolarHBondContact OD2-CE 3.22Å; D88-K121 IonicContact OD2-NZ 2.66Å; D88-K121 PolarHBondContact OD2-NZ 3.03Å; I89-K121 WeakPolarHBondContact CD1-O 3.4Å; K121-D123 WeakPolarHBondContact CA-OD1 3.34Å; K121-D123 PolarHBondContact O-N 2.94Å; K121-D123 VanDerWaalsContact O-N 3.08Å; K121-L124 HydrophobicContact CB-CD1 4.24Å; K121-L124 HydrophobicContact CB-CG 4.47Å; K121-L124 HydrophobicContact CD-CD1 4.21Å; K121-L124 WeakPolarHBondContact O-CB 3.25Å; K121-L124 PolarHBondContact O-N 3.44Å; K121-T149 PolarHBondContact N-O 3Å
122	R	98.6	Very high	98.4	Very high	77 Å²	77	42.3 Å²	42.3	29%	0.291	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-55.7	-22.6	175.4	-177.1	64.8	-166.8	172.2	26.8	114	L124 D125 E148 T149 F155	R122-L124 PolarHBondContact O-N 2.86Å; R122-D125 IonicContact CZ-OD1 3.09Å; R122-D125 IonicContact CZ-OD2 3.47Å; R122-D125 IonicContact NE-OD1 3.82Å; R122-D125 IonicContact NH1-OD1 2.87Å; R122-D125 PolarHBondContact NH1-OD1 3.36Å; R122-D125 IonicContact NH1-OD2 3.76Å; R122-D125 IonicContact NH2-OD1 3.31Å; R122-D125 PolarHBondContact NH2-OD1 3.36Å; R122-D125 IonicContact NH2-OD2 2.81Å; R122-D125 PolarHBondContact NH2-OD2 3.34Å; R122-D125 WeakPolarHBondContact O-CB 3.49Å; R122-D125 PolarHBondContact O-N 2.89Å; R122-E148 WeakPolarHBondContact CD-OE2 3.43Å; R122-E148 IonicContact CZ-OE2 2.75Å; R122-E148 IonicContact NE-OE2 3.21Å; R122-E148 IonicContact NH1-OE2 3.33Å; R122-E148 PolarHBondContact NH1-OE2 3.29Å; R122-T149 VanDerWaalsContact CB-O 3.29Å; R122-T149 WeakPolarHBondContact CB-O 3.31Å; R122-T149 PolarHBondContact N-O 3.08Å; R122-F155 HydrophobicContact CB-CD1 4.2Å; R122-F155 HydrophobicContact CG-CD1 3.87Å; R122-F155 HydrophobicContact CG-CE1 3.91Å
123	D	98.3	Very high	98.5	Very high	56 Å²	56	43.6 Å²	43.6	30%	0.299	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-62.1	-20.5	170.5	52.3	-71.7	0	0	0	113.8	K121 S150 L152 T153	K121-D123 WeakPolarHBondContact CA-OD1 3.34Å; K121-D123 PolarHBondContact O-N 2.94Å; K121-D123 VanDerWaalsContact O-N 3.08Å; D123-S150 VanDerWaalsContact CG-OG 3.27Å; D123-S150 VanDerWaalsContact OD1-CB 3.27Å; D123-S150 WeakPolarHBondContact OD1-CB 3.48Å; D123-S150 PolarHBondContact OD1-OG 3.06Å; D123-L152 HydrophobicContact CB-CD2 4.21Å; D123-L152 VanDerWaalsContact OD2-CD2 3.29Å; D123-L152 WeakPolarHBondContact OD2-CD2 3.29Å; D123-T153 HydrophobicContact CB-CG2 4.08Å
124	L	98.2	Very high	98.5	Very high	66 Å²	66	44.3 Å²	44.3	35%	0.346	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-100.7	26.9	176.7	-56.1	-179.8	0	0	0	112.6	T90 K121 R122 P126 L127	T90-L124 HydrophobicContact CG2-CB 3.61Å; T90-L124 HydrophobicContact CG2-CD1 4.19Å; K121-L124 HydrophobicContact CB-CD1 4.24Å; K121-L124 HydrophobicContact CB-CG 4.47Å; K121-L124 HydrophobicContact CD-CD1 4.21Å; K121-L124 WeakPolarHBondContact O-CB 3.25Å; K121-L124 PolarHBondContact O-N 3.44Å; R122-L124 PolarHBondContact O-N 2.86Å; L124-P126 VanDerWaalsContact C-N 3.28Å; L124-P126 VanDerWaalsContact O-N 3.14Å; L124-L127 WeakPolarHBondContact O-CA 3.16Å; L124-L127 WeakPolarHBondContact O-CB 3.21Å; L124-L127 PolarHBondContact O-N 2.96Å
125	D	98.3	Very high	98.5	Very high	56 Å²	56	44.3 Å²	44.3	30%	0.299	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-49.8	-36.7	-179.2	-160.9	55	0	0	0	115.4	R122 L127 R128	R122-D125 IonicContact CZ-OD1 3.09Å; R122-D125 IonicContact CZ-OD2 3.47Å; R122-D125 IonicContact NE-OD1 3.82Å; R122-D125 IonicContact NH1-OD1 2.87Å; R122-D125 PolarHBondContact NH1-OD1 3.36Å; R122-D125 IonicContact NH1-OD2 3.76Å; R122-D125 IonicContact NH2-OD1 3.31Å; R122-D125 PolarHBondContact NH2-OD1 3.36Å; R122-D125 IonicContact NH2-OD2 2.81Å; R122-D125 PolarHBondContact NH2-OD2 3.34Å; R122-D125 WeakPolarHBondContact O-CB 3.49Å; R122-D125 PolarHBondContact O-N 2.89Å; D125-L127 PolarHBondContact O-N 3.46Å; D125-L127 VanDerWaalsContact O-N 3.09Å; D125-R128 WeakPolarHBondContact O-CB 3.4Å; D125-R128 PolarHBondContact O-N 3.2Å; D125-R128 IonicContact OD1-CZ 3.68Å; D125-R128 VanDerWaalsContact OD1-CZ 3.22Å; D125-R128 IonicContact OD1-NE 3.95Å; D125-R128 PolarHBondContact OD1-NE 2.8Å; D125-R128 IonicContact OD1-NH2 2.7Å; D125-R128 PolarHBondContact OD1-NH2 2.87Å
126	P	98.3	Very high	98.5	Very high	122 Å²	122	47.8 Å²	47.8	79%	0.792	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-60.1	-19.1	174.4	-25.8	36.6	0	0	0	114.8	L124	L124-P126 VanDerWaalsContact C-N 3.28Å; L124-P126 VanDerWaalsContact O-N 3.14Å
127	L	98.4	Very high	98.5	Very high	120 Å²	120	55 Å²	55	63%	0.628	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-103.3	14.1	178.4	-56.4	179	0	0	0	112.6	T90 L124 D125 A129	T90-L127 HydrophobicContact CG2-CB 3.92Å; L124-L127 WeakPolarHBondContact O-CA 3.16Å; L124-L127 WeakPolarHBondContact O-CB 3.21Å; L124-L127 PolarHBondContact O-N 2.96Å; D125-L127 PolarHBondContact O-N 3.46Å; D125-L127 VanDerWaalsContact O-N 3.09Å; L127-A129 PolarHBondContact O-N 2.82Å
128	R	98.7	Very high	98.5	Very high	59 Å²	59	55.9 Å²	55.9	22%	0.223	29%	0.285	C	S	.	.			trans	-56.1	123.5	-177.6	174.5	176.5	-66.2	-82.1	-4.4	112	D125 V130 T132 E148	D125-R128 WeakPolarHBondContact O-CB 3.4Å; D125-R128 PolarHBondContact O-N 3.2Å; D125-R128 IonicContact OD1-CZ 3.68Å; D125-R128 VanDerWaalsContact OD1-CZ 3.22Å; D125-R128 IonicContact OD1-NE 3.95Å; D125-R128 PolarHBondContact OD1-NE 2.8Å; D125-R128 IonicContact OD1-NH2 2.7Å; D125-R128 PolarHBondContact OD1-NH2 2.87Å; R128-V130 VanDerWaalsContact CD-O 3.25Å; R128-V130 WeakPolarHBondContact CD-O 3.29Å; R128-V130 WeakPolarHBondContact CG-O 3.1Å; R128-V130 PolarHBondContact NH1-O 3.21Å; R128-T132 PolarHBondContact NH1-OG1 3.37Å; R128-E148 IonicContact CZ-OE1 2.78Å; R128-E148 IonicContact CZ-OE2 3.83Å; R128-E148 IonicContact NH1-OE1 3.64Å; R128-E148 PolarHBondContact NH1-OE1 3.39Å; R128-E148 IonicContact NH1-OE2 3.7Å; R128-E148 VanDerWaalsContact NH2-CD 3.31Å; R128-E148 IonicContact NH2-OE1 2.8Å; R128-E148 PolarHBondContact NH2-OE1 2.69Å; R128-E148 IonicContact NH2-OE2 3.22Å; R128-E148 PolarHBondContact NH2-OE2 2.94Å
129	A	98.5	Very high	98.5	Very high	44 Å²	44	55.9 Å²	55.9	36%	0.364	29%	0.286	S	S	.	.			trans	-102.6	-15.8	171.7	0	0	0	0	0	112.6	I89 T90 R92 L127	I89-A129 PolarHBondContact O-N 2.7Å; T90-A129 VanDerWaalsContact O-CB 3.31Å; T90-A129 WeakPolarHBondContact O-CB 3.33Å; R92-A129 HydrophobicContact CB-CB 4.38Å; L127-A129 PolarHBondContact O-N 2.82Å
130	V	98.6	Very high	98.5	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-115.4	107.6	-178.6	-174.7	0	0	0	0	109.7	Y87 I89 F95 R128 T132 A135	Y87-V130 HydrophobicContact CD2-CG2 4.36Å; Y87-V130 HydrophobicContact CE2-CB 3.94Å; Y87-V130 HydrophobicContact CE2-CG1 3.81Å; Y87-V130 HydrophobicContact CE2-CG2 4.1Å; I89-V130 PolarHBondContact O-N 2.75Å; I89-V130 VanDerWaalsContact O-N 3.09Å; F95-V130 HydrophobicContact CB-CG1 4.09Å; F95-V130 HydrophobicContact CB-CG2 3.65Å; F95-V130 HydrophobicContact CD1-CG1 3.96Å; F95-V130 HydrophobicContact CD2-CG1 3.86Å; F95-V130 HydrophobicContact CE1-CG1 4.38Å; F95-V130 HydrophobicContact CE2-CG1 4.31Å; F95-V130 HydrophobicContact CG-CG1 3.66Å; F95-V130 HydrophobicContact CG-CG2 4.15Å; R128-V130 VanDerWaalsContact CD-O 3.25Å; R128-V130 WeakPolarHBondContact CD-O 3.29Å; R128-V130 WeakPolarHBondContact CG-O 3.1Å; R128-V130 PolarHBondContact NH1-O 3.21Å; V130-T132 PolarHBondContact O-N 3.46Å; V130-A135 HydrophobicContact CG1-CB 4.39Å
131	P	98.4	Very high	98.4	Very high	66 Å²	66	65.9 Å²	65.9	43%	0.429	34%	0.343	S	S	.	.			trans	-59.7	132.7	174.5	-22.7	33.2	0	0	0	111.2	E133 V134 A135	P131-E133 VanDerWaalsContact C-N 3.25Å; P131-E133 PolarHBondContact O-N 3.24Å; P131-V134 HydrophobicContact CB-CG2 4.01Å; P131-V134 HydrophobicContact CG-CG2 4.19Å; P131-V134 WeakPolarHBondContact O-CB 3.36Å; P131-V134 PolarHBondContact O-N 3.12Å; P131-A135 PolarHBondContact O-N 3.3Å
132	T	98.5	Very high	98.4	Very high	43 Å²	43	65.1 Å²	65.1	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-53.8	-41.3	-177.5	-57.1	0	0	0	0	112.3	R128 V130 V134 A135 K136 F146 E148	R128-T132 PolarHBondContact NH1-OG1 3.37Å; V130-T132 PolarHBondContact O-N 3.46Å; T132-V134 VanDerWaalsContact C-N 3.26Å; T132-V134 PolarHBondContact O-N 3.01Å; T132-A135 PolarHBondContact O-N 3.33Å; T132-A135 VanDerWaalsContact O-N 3.17Å; T132-K136 WeakPolarHBondContact O-CB 3.37Å; T132-K136 PolarHBondContact O-N 3.09Å; T132-F146 HydrophobicContact CG2-CE1 3.67Å; T132-F146 HydrophobicContact CG2-CZ 3.99Å; T132-E148 PolarHBondContact OG1-OE1 3Å
133	E	98.4	Very high	98.4	Very high	110 Å²	110	67.3 Å²	67.3	51%	0.514	36%	0.362	S	S	.	.	H	α-helix	trans	-65.5	-23.6	178.3	-66.5	-52.9	136.4	0	0	114.4	P131 R137	P131-E133 VanDerWaalsContact C-N 3.25Å; P131-E133 PolarHBondContact O-N 3.24Å; E133-R137 WeakPolarHBondContact O-CB 3.49Å; E133-R137 VanDerWaalsContact O-CG 3.27Å; E133-R137 WeakPolarHBondContact O-CG 3.47Å; E133-R137 PolarHBondContact O-N 2.83Å; E133-R137 PolarHBondContact O-NE 2.78Å; E133-R137 VanDerWaalsContact O-NE 3.08Å
134	V	98.4	Very high	98.4	Very high	41 Å²	41	65.3 Å²	65.3	25%	0.248	35%	0.353	C	S	.	.	H	α-helix	trans	-73.2	-44.1	174	175.6	0	0	0	0	109.9	F95 P131 T132 L138	F95-V134 HydrophobicContact CE1-CG1 3.68Å; F95-V134 HydrophobicContact CZ-CG1 3.89Å; P131-V134 HydrophobicContact CB-CG2 4.01Å; P131-V134 HydrophobicContact CG-CG2 4.19Å; P131-V134 WeakPolarHBondContact O-CB 3.36Å; P131-V134 PolarHBondContact O-N 3.12Å; T132-V134 VanDerWaalsContact C-N 3.26Å; T132-V134 PolarHBondContact O-N 3.01Å; V134-L138 PolarHBondContact O-N 3.05Å
135	A	98.6	Very high	98.4	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-69.8	-39.3	178.5	0	0	0	0	0	112.6	Y87 F95 V130 P131 T132 L138 A139 F146	Y87-A135 HydrophobicContact CE1-CB 4.11Å; Y87-A135 WeakPolarHBondContact OH-CB 3.11Å; F95-A135 HydrophobicContact CD2-CB 4.19Å; F95-A135 HydrophobicContact CE2-CB 3.53Å; F95-A135 HydrophobicContact CZ-CB 4.17Å; V130-A135 HydrophobicContact CG1-CB 4.39Å; P131-A135 PolarHBondContact O-N 3.3Å; T132-A135 PolarHBondContact O-N 3.33Å; T132-A135 VanDerWaalsContact O-N 3.17Å; A135-L138 WeakPolarHBondContact O-CB 3.27Å; A135-L138 PolarHBondContact O-N 2.91Å; A135-A139 PolarHBondContact O-N 2.82Å; A135-F146 HydrophobicContact CB-CD2 4.24Å; A135-F146 HydrophobicContact CB-CE2 3.45Å; A135-F146 VanDerWaalsContact CB-CE2 3.45Å; A135-F146 HydrophobicContact CB-CZ 3.8Å
136	K	98.5	Very high	98.4	Very high	85 Å²	85	63.6 Å²	63.6	37%	0.37	34%	0.342	S	S	.	.	H	α-helix	trans	-60.7	-47.2	175	-170.9	-179.8	176.4	-173	0	112.2	T132 L138 A139 E140 F146	T132-K136 WeakPolarHBondContact O-CB 3.37Å; T132-K136 PolarHBondContact O-N 3.09Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 3.22Å; K136-A139 WeakPolarHBondContact O-CB 3.49Å; K136-A139 PolarHBondContact O-N 2.89Å; K136-A139 VanDerWaalsContact O-N 3.12Å; K136-E140 VanDerWaalsContact CE-OE1 3.31Å; K136-E140 WeakPolarHBondContact CE-OE1 3.26Å; K136-E140 WeakPolarHBondContact O-CG 2.88Å; K136-E140 PolarHBondContact O-N 3.05Å; K136-F146 HydrophobicContact CB-CD1 3.92Å; K136-F146 HydrophobicContact CB-CE1 4.14Å; K136-F146 HydrophobicContact CB-CG 4.45Å; K136-F146 HydrophobicContact CG-CD1 4.14Å
137	R	98.6	Very high	98.4	Very high	151 Å²	151	59.9 Å²	59.9	57%	0.57	31%	0.313	S	S	*	.	H	α-helix	trans	-59.9	-39	175.3	-77.9	-176.4	-67.1	-177.5	0.4	112.7	E133 S141	E133-R137 WeakPolarHBondContact O-CB 3.49Å; E133-R137 VanDerWaalsContact O-CG 3.27Å; E133-R137 WeakPolarHBondContact O-CG 3.47Å; E133-R137 PolarHBondContact O-N 2.83Å; E133-R137 PolarHBondContact O-NE 2.78Å; E133-R137 VanDerWaalsContact O-NE 3.08Å; R137-S141 WeakPolarHBondContact O-CB 3.31Å; R137-S141 PolarHBondContact O-N 3.23Å; R137-S141 PolarHBondContact O-OG 3.05Å
138	L	98.6	Very high	98.5	Very high	19 Å²	19	55.1 Å²	55.1	10%	0.099	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-45.7	174.8	177.9	61	0	0	0	111	F95 V98 K99 I102 I117 V134 A135 K136 S141 S142	F95-L138 HydrophobicContact CE2-CD2 3.78Å; F95-L138 HydrophobicContact CZ-CB 4.18Å; F95-L138 HydrophobicContact CZ-CD2 3.69Å; V98-L138 HydrophobicContact CB-CD2 4.15Å; V98-L138 HydrophobicContact CG1-CD2 3.75Å; K99-L138 HydrophobicContact CD-CD1 4.48Å; K99-L138 HydrophobicContact CG-CD1 3.94Å; K99-L138 HydrophobicContact CG-CD2 4.28Å; I102-L138 HydrophobicContact CD1-CD1 4.48Å; I102-L138 HydrophobicContact CD1-CG 4.47Å; I117-L138 HydrophobicContact CD1-CD2 4.21Å; I117-L138 HydrophobicContact CD1-CG 3.97Å; V134-L138 PolarHBondContact O-N 3.05Å; A135-L138 WeakPolarHBondContact O-CB 3.27Å; A135-L138 PolarHBondContact O-N 2.91Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 3.22Å; L138-S141 PolarHBondContact O-N 3.42Å; L138-S141 PolarHBondContact O-OG 3.24Å; L138-S142 WeakPolarHBondContact O-CB 3.18Å; L138-S142 PolarHBondContact O-N 3.01Å; L138-S142 VanDerWaalsContact O-N 3.08Å; L138-S142 PolarHBondContact O-OG 3.24Å
139	A	98.7	Very high	98.5	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-47.5	178.3	0	0	0	0	0	112.3	I117 A135 K136 S141 S142 N143 A144 F146	I117-A139 HydrophobicContact CB-CB 4.38Å; I117-A139 HydrophobicContact CD1-CB 3.89Å; I117-A139 HydrophobicContact CG1-CB 4.36Å; A135-A139 PolarHBondContact O-N 2.82Å; K136-A139 WeakPolarHBondContact O-CB 3.49Å; K136-A139 PolarHBondContact O-N 2.89Å; K136-A139 VanDerWaalsContact O-N 3.12Å; A139-S141 PolarHBondContact O-N 3.25Å; A139-S142 CarbonylContact O-C 3.59Å; A139-S142 PolarHBondContact O-N 2.79Å; A139-N143 PolarHBondContact O-N 3.46Å; A139-N143 VanDerWaalsContact O-N 3.08Å; A139-A144 HydrophobicContact CB-CB 4.25Å; A139-A144 PolarHBondContact O-N 3.07Å; A139-F146 HydrophobicContact CB-CB 3.63Å; A139-F146 HydrophobicContact CB-CG 4.39Å
140	E	98.3	Very high	98.5	Very high	120 Å²	120	50.2 Å²	50.2	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-56.3	-49.1	176.1	-72	170.2	-179.6	0	0	111.4	K136 S142 N143	K136-E140 VanDerWaalsContact CE-OE1 3.31Å; K136-E140 WeakPolarHBondContact CE-OE1 3.26Å; K136-E140 WeakPolarHBondContact O-CG 2.88Å; K136-E140 PolarHBondContact O-N 3.05Å; E140-S142 PolarHBondContact O-N 2.62Å; E140-N143 PolarHBondContact O-N 3.06Å; E140-N143 VanDerWaalsContact O-N 3.16Å
141	S	98.1	Very high	98.4	Very high	95 Å²	95	50.4 Å²	50.4	66%	0.664	26%	0.261	S	S	*	.	H	α-helix	trans	-64.8	-20.3	178.2	69.8	0	0	0	0	114	R137 L138 A139	R137-S141 WeakPolarHBondContact O-CB 3.31Å; R137-S141 PolarHBondContact O-N 3.23Å; R137-S141 PolarHBondContact O-OG 3.05Å; L138-S141 PolarHBondContact O-N 3.42Å; L138-S141 PolarHBondContact O-OG 3.24Å; A139-S141 PolarHBondContact O-N 3.25Å
142	S	97.7	Very high	98.3	Very high	36 Å²	36	50.8 Å²	50.8	25%	0.252	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	6.6	-179.7	-50.6	0	0	0	0	112.8	L138 A139 E140 A144	L138-S142 WeakPolarHBondContact O-CB 3.18Å; L138-S142 PolarHBondContact O-N 3.01Å; L138-S142 VanDerWaalsContact O-N 3.08Å; L138-S142 PolarHBondContact O-OG 3.24Å; A139-S142 CarbonylContact O-C 3.59Å; A139-S142 PolarHBondContact O-N 2.79Å; E140-S142 PolarHBondContact O-N 2.62Å; S142-A144 PolarHBondContact O-N 3.42Å
143	N	97.3	Very high	98.2	Very high	124 Å²	124	52.5 Å²	52.5	66%	0.663	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	38.4	-172.9	-173.6	38.2	0	0	0	112.6	A139 E140 R167	A139-N143 PolarHBondContact O-N 3.46Å; A139-N143 VanDerWaalsContact O-N 3.08Å; E140-N143 PolarHBondContact O-N 3.06Å; E140-N143 VanDerWaalsContact O-N 3.16Å; N143-R167 PolarHBondContact OD1-NH2 2.87Å
144	A	98.6	Very high	98.2	Very high	14 Å²	14	48.5 Å²	48.5	12%	0.116	26%	0.258	C	S	.	.			trans	-107	150.2	178.8	0	0	0	0	0	110.7	M115 I117 A139 S142	M115-A144 HydrophobicContact CB-CB 3.94Å; M115-A144 HydrophobicContact CG-CB 3.79Å; M115-A144 CarbonylContact O-C 3.43Å; M115-A144 VanDerWaalsContact O-CA 3.26Å; M115-A144 WeakPolarHBondContact O-CA 3.3Å; M115-A144 HydrophobicContact SD-CB 4.01Å; I117-A144 HydrophobicContact CD1-CB 4.41Å; I117-A144 HydrophobicContact CG1-CB 4.14Å; A139-A144 HydrophobicContact CB-CB 4.25Å; A139-A144 PolarHBondContact O-N 3.07Å; S142-A144 PolarHBondContact O-N 3.42Å
145	L	98.7	Very high	98.2	Very high	45 Å²	45	52.1 Å²	52.1	24%	0.236	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	158.9	163.4	-60	174.8	0	0	0	110	M115 C116 I117 F147 E163 R167	M115-L145 PolarHBondContact O-N 2.92Å; C116-L145 CarbonylContact C-O 3.59Å; C116-L145 WeakPolarHBondContact CA-O 3.43Å; C116-L145 HydrophobicContact CB-CB 4.01Å; I117-L145 PolarHBondContact N-O 3.49Å; L145-F147 HydrophobicContact CB-CD2 4.43Å; L145-F147 HydrophobicContact CB-CE2 3.91Å; L145-F147 HydrophobicContact CD1-CE2 4.34Å; L145-E163 HydrophobicContact CD1-CB 4.34Å; L145-R167 HydrophobicContact CD1-CB 4.08Å
146	F	98.8	Very high	98.1	Very high	40 Å²	40	52.8 Å²	52.8	18%	0.175	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.2	175.5	174.7	-106.6	0	0	0	111.5	Y87 I117 T132 A135 K136 A139 E148	Y87-F146 HydrophobicContact CE1-CE2 4.3Å; I117-F146 HydrophobicContact CB-CD2 4.35Å; I117-F146 HydrophobicContact CG2-CD2 4.3Å; I117-F146 WeakPolarHBondContact O-CA 3.49Å; I117-F146 WeakPolarHBondContact O-CD2 3.38Å; T132-F146 HydrophobicContact CG2-CE1 3.67Å; T132-F146 HydrophobicContact CG2-CZ 3.99Å; A135-F146 HydrophobicContact CB-CD2 4.24Å; A135-F146 HydrophobicContact CB-CE2 3.45Å; A135-F146 VanDerWaalsContact CB-CE2 3.45Å; A135-F146 HydrophobicContact CB-CZ 3.8Å; K136-F146 HydrophobicContact CB-CD1 3.92Å; K136-F146 HydrophobicContact CB-CE1 4.14Å; K136-F146 HydrophobicContact CB-CG 4.45Å; K136-F146 HydrophobicContact CG-CD1 4.14Å; A139-F146 HydrophobicContact CB-CB 3.63Å; A139-F146 HydrophobicContact CB-CG 4.39Å; F146-E148 HydrophobicContact CE1-CG 4.25Å; F146-E148 HydrophobicContact CE2-CG 4.48Å; F146-E148 HydrophobicContact CZ-CG 3.71Å
147	F	98.8	Very high	98.1	Very high	44 Å²	44	49 Å²	49	19%	0.193	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.2	173.8	-64	-89.2	0	0	0	110.6	I117 V118 G119 L145 N159 V160 E163	I117-F147 PolarHBondContact O-N 3.48Å; I117-F147 VanDerWaalsContact O-N 3.15Å; V118-F147 CarbonylContact C-O 3.45Å; V118-F147 WeakPolarHBondContact CA-O 3.44Å; G119-F147 PolarHBondContact N-O 3.47Å; L145-F147 HydrophobicContact CB-CD2 4.43Å; L145-F147 HydrophobicContact CB-CE2 3.91Å; L145-F147 HydrophobicContact CD1-CE2 4.34Å; F147-N159 HydrophobicContact CD1-CB 4.38Å; F147-N159 HydrophobicContact CE1-CB 4.23Å; F147-V160 HydrophobicContact CB-CB 4.23Å; F147-V160 HydrophobicContact CB-CG2 3.81Å; F147-V160 HydrophobicContact CD2-CB 4.31Å; F147-V160 HydrophobicContact CD2-CG2 3.71Å; F147-V160 HydrophobicContact CG-CB 4.23Å; F147-V160 HydrophobicContact CG-CG2 3.94Å; F147-E163 HydrophobicContact CE1-CG 4.19Å; F147-E163 HydrophobicContact CE2-CB 3.91Å; F147-E163 HydrophobicContact CE2-CG 4.47Å; F147-E163 HydrophobicContact CZ-CB 3.52Å; F147-E163 HydrophobicContact CZ-CG 3.59Å
148	E	98.8	Very high	98	Very high	21 Å²	21	48 Å²	48	10%	0.098	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	139.2	163.6	-64.6	-172.9	163.4	0	0	109.6	G119 R122 R128 T132 F146 F155	G119-E148 CarbonylContact O-C 3.52Å; G119-E148 WeakPolarHBondContact O-CA 3.5Å; G119-E148 WeakPolarHBondContact O-CB 3.24Å; R122-E148 WeakPolarHBondContact CD-OE2 3.43Å; R122-E148 IonicContact CZ-OE2 2.75Å; R122-E148 IonicContact NE-OE2 3.21Å; R122-E148 IonicContact NH1-OE2 3.33Å; R122-E148 PolarHBondContact NH1-OE2 3.29Å; R128-E148 IonicContact CZ-OE1 2.78Å; R128-E148 IonicContact CZ-OE2 3.83Å; R128-E148 IonicContact NH1-OE1 3.64Å; R128-E148 PolarHBondContact NH1-OE1 3.39Å; R128-E148 IonicContact NH1-OE2 3.7Å; R128-E148 VanDerWaalsContact NH2-CD 3.31Å; R128-E148 IonicContact NH2-OE1 2.8Å; R128-E148 PolarHBondContact NH2-OE1 2.69Å; R128-E148 IonicContact NH2-OE2 3.22Å; R128-E148 PolarHBondContact NH2-OE2 2.94Å; T132-E148 PolarHBondContact OG1-OE1 3Å; F146-E148 HydrophobicContact CE1-CG 4.25Å; F146-E148 HydrophobicContact CE2-CG 4.48Å; F146-E148 HydrophobicContact CZ-CG 3.71Å; E148-F155 WeakPolarHBondContact O-CE1 3.28Å
149	T	98.7	Very high	97.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	160.2	-175.9	63.2	0	0	0	0	111.7	V118 G119 N120 K121 R122 F155 L157 V160	V118-T149 HydrophobicContact CG1-CG2 3.69Å; V118-T149 WeakPolarHBondContact CG1-OG1 3.41Å; G119-T149 PolarHBondContact O-N 2.85Å; N120-T149 CarbonylContact C-O 3.54Å; N120-T149 WeakPolarHBondContact CA-O 3.39Å; N120-T149 PolarHBondContact OD1-O 2.98Å; N120-T149 PolarHBondContact OD1-OG1 2.81Å; N120-T149 VanDerWaalsContact OD1-OG1 3.09Å; K121-T149 PolarHBondContact N-O 3Å; R122-T149 VanDerWaalsContact CB-O 3.29Å; R122-T149 WeakPolarHBondContact CB-O 3.31Å; R122-T149 PolarHBondContact N-O 3.08Å; T149-F155 CarbonylContact C-O 3.48Å; T149-F155 VanDerWaalsContact CA-O 3.23Å; T149-F155 WeakPolarHBondContact CA-O 3.46Å; T149-L157 HydrophobicContact CG2-CD2 3.99Å; T149-V160 HydrophobicContact CG2-CB 4.2Å; T149-V160 HydrophobicContact CG2-CG1 4.19Å
150	S	98.5	Very high	97.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.			trans	-128	114	161.6	172	0	0	0	0	109.2	D123 L152 T153 G154 F155	D123-S150 VanDerWaalsContact CG-OG 3.27Å; D123-S150 VanDerWaalsContact OD1-CB 3.27Å; D123-S150 WeakPolarHBondContact OD1-CB 3.48Å; D123-S150 PolarHBondContact OD1-OG 3.06Å; S150-L152 PolarHBondContact O-N 3.38Å; S150-L152 PolarHBondContact OG-N 2.88Å; S150-T153 VanDerWaalsContact CB-OG1 3.27Å; S150-T153 WeakPolarHBondContact CB-OG1 3.13Å; S150-T153 PolarHBondContact OG-N 3.26Å; S150-T153 PolarHBondContact OG-OG1 3.42Å; S150-G154 CarbonylContact O-C 3.55Å; S150-G154 WeakPolarHBondContact O-CA 3.48Å; S150-G154 PolarHBondContact O-N 3.17Å; S150-F155 PolarHBondContact N-O 2.84Å; S150-F155 PolarHBondContact O-N 2.87Å
151	A	97.5	Very high	97.9	Very high	3 Å²	3	45.8 Å²	45.8	3%	0.025	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.8	169.8	0	0	0	0	0	112.8	I23 R26 F32 N120	I23-A151 HydrophobicContact CG1-CB 4.12Å; R26-A151 WeakPolarHBondContact CD-O 3.48Å; R26-A151 WeakPolarHBondContact CG-O 3.33Å; F32-A151 HydrophobicContact CD2-CB 4.48Å; N120-A151 PolarHBondContact OD1-N 2.92Å
152	L	97	Very high	97.9	Very high	75 Å²	75	43 Å²	43	39%	0.393	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-53	177.1	175.3	63.4	0	0	0	110.9	F32 D123 S150	F32-L152 HydrophobicContact CB-CD1 4.2Å; F32-L152 HydrophobicContact CD1-CD1 3.36Å; F32-L152 HydrophobicContact CD2-CB 4.24Å; F32-L152 HydrophobicContact CD2-CD1 4.36Å; F32-L152 HydrophobicContact CE1-CD1 3.73Å; F32-L152 HydrophobicContact CE2-CB 4.34Å; F32-L152 HydrophobicContact CG-CB 4.39Å; F32-L152 HydrophobicContact CG-CD1 3.71Å; F32-L152 HydrophobicContact CZ-CD1 4.36Å; D123-L152 HydrophobicContact CB-CD2 4.21Å; D123-L152 VanDerWaalsContact OD2-CD2 3.29Å; D123-L152 WeakPolarHBondContact OD2-CD2 3.29Å; S150-L152 PolarHBondContact O-N 3.38Å; S150-L152 PolarHBondContact OG-N 2.88Å
153	T	96.4	Very high	97.9	Very high	79 Å²	79	45 Å²	45	49%	0.485	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-27.8	-175.7	67.3	0	0	0	0	112.3	R26 D123 S150 F155	R26-T153 PolarHBondContact NH2-O 3.19Å; R26-T153 VanDerWaalsContact NH2-O 3.07Å; D123-T153 HydrophobicContact CB-CG2 4.08Å; S150-T153 VanDerWaalsContact CB-OG1 3.27Å; S150-T153 WeakPolarHBondContact CB-OG1 3.13Å; S150-T153 PolarHBondContact OG-N 3.26Å; S150-T153 PolarHBondContact OG-OG1 3.42Å; T153-F155 WeakPolarHBondContact OG1-CB 3.29Å; T153-F155 PolarHBondContact OG1-N 3.39Å
154	G	96.6	Very high	98	Very high	26 Å²	26	39.1 Å²	39.1	27%	0.268	21%	0.21	S	C	.	.			trans	94.2	-1.4	-168.9	0	0	0	0	0	113.6	S150 G156 L157	S150-G154 CarbonylContact O-C 3.55Å; S150-G154 WeakPolarHBondContact O-CA 3.48Å; S150-G154 PolarHBondContact O-N 3.17Å; G154-G156 PolarHBondContact O-N 3.39Å; G154-L157 PolarHBondContact O-N 3.45Å
155	F	98.3	Very high	97.9	Very high	117 Å²	117	38.6 Å²	38.6	51%	0.513	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	131.2	179.6	176.7	-91.7	0	0	0	111.8	R122 E148 T149 S150 T153 L157	R122-F155 HydrophobicContact CB-CD1 4.2Å; R122-F155 HydrophobicContact CG-CD1 3.87Å; R122-F155 HydrophobicContact CG-CE1 3.91Å; E148-F155 WeakPolarHBondContact O-CE1 3.28Å; T149-F155 CarbonylContact C-O 3.48Å; T149-F155 VanDerWaalsContact CA-O 3.23Å; T149-F155 WeakPolarHBondContact CA-O 3.46Å; S150-F155 PolarHBondContact N-O 2.84Å; S150-F155 PolarHBondContact O-N 2.87Å; T153-F155 WeakPolarHBondContact OG1-CB 3.29Å; T153-F155 PolarHBondContact OG1-N 3.39Å; F155-L157 PolarHBondContact O-N 3.46Å; F155-L157 VanDerWaalsContact O-N 3.14Å
156	G	98	Very high	97.9	Very high	14 Å²	14	41 Å²	41	14%	0.144	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	-5.2	173.8	0	0	0	0	0	115.9	G154 N159 V160	G154-G156 PolarHBondContact O-N 3.39Å; G156-N159 PolarHBondContact O-N 3.08Å; G156-V160 PolarHBondContact O-N 3.45Å
157	L	97.8	Very high	97.8	Very high	6 Å²	6	43 Å²	43	3%	0.031	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-40.2	-175.6	-66.6	-174	0	0	0	112.6	I23 R26 T149 G154 F155 V160 F161	I23-L157 HydrophobicContact CB-CD2 4.44Å; I23-L157 HydrophobicContact CG1-CD2 4.2Å; I23-L157 HydrophobicContact CG2-CD2 3.95Å; R26-L157 HydrophobicContact CB-CD1 3.71Å; R26-L157 HydrophobicContact CG-CD1 3.36Å; T149-L157 HydrophobicContact CG2-CD2 3.99Å; G154-L157 PolarHBondContact O-N 3.45Å; F155-L157 PolarHBondContact O-N 3.46Å; F155-L157 VanDerWaalsContact O-N 3.14Å; L157-V160 WeakPolarHBondContact O-CG1 3.23Å; L157-F161 VanDerWaalsContact O-CD2 3.29Å; L157-F161 WeakPolarHBondContact O-CD2 3.18Å; L157-F161 PolarHBondContact O-N 3.24Å
158	E	96.3	Very high	97.7	Very high	130 Å²	130	40.9 Å²	40.9	61%	0.607	21%	0.212	S	C	*	.	H	α-helix	trans	-64.8	-46.5	178.2	-64.3	-168.6	162.8	0	0	111	V160 F161 S162 K197	E158-V160 PolarHBondContact O-N 3.09Å; E158-F161 PolarHBondContact O-N 2.87Å; E158-S162 WeakPolarHBondContact O-CB 3.37Å; E158-S162 PolarHBondContact O-N 3.01Å; E158-S162 PolarHBondContact O-OG 2.84Å; E158-S162 VanDerWaalsContact O-OG 3.13Å; E158-K197 IonicContact OE1-NZ 3.45Å
159	N	97.8	Very high	97.5	Very high	90 Å²	90	40 Å²	40	48%	0.481	21%	0.209	S	C	.	.	H	α-helix	trans	-59.4	-45.9	177.8	-59.1	78.5	0	0	0	112.8	F147 G156 F161 S162 E163	F147-N159 HydrophobicContact CD1-CB 4.38Å; F147-N159 HydrophobicContact CE1-CB 4.23Å; G156-N159 PolarHBondContact O-N 3.08Å; N159-F161 VanDerWaalsContact C-N 3.29Å; N159-F161 PolarHBondContact O-N 2.84Å; N159-S162 WeakPolarHBondContact CA-OG 3.36Å; N159-S162 PolarHBondContact O-N 3.02Å; N159-S162 PolarHBondContact O-OG 3.49Å; N159-E163 VanDerWaalsContact O-CB 3.27Å; N159-E163 WeakPolarHBondContact O-CB 3.26Å; N159-E163 VanDerWaalsContact O-CG 3.24Å; N159-E163 WeakPolarHBondContact O-CG 3.35Å; N159-E163 PolarHBondContact O-N 3.09Å
160	V	98.3	Very high	97.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.3	-39.1	-176.8	85.6	0	0	0	0	111.2	V118 F147 T149 G156 L157 E158 T164	V118-V160 HydrophobicContact CG1-CG2 4.37Å; V118-V160 HydrophobicContact CG2-CG2 3.68Å; F147-V160 HydrophobicContact CB-CB 4.23Å; F147-V160 HydrophobicContact CB-CG2 3.81Å; F147-V160 HydrophobicContact CD2-CB 4.31Å; F147-V160 HydrophobicContact CD2-CG2 3.71Å; F147-V160 HydrophobicContact CG-CB 4.23Å; F147-V160 HydrophobicContact CG-CG2 3.94Å; T149-V160 HydrophobicContact CG2-CB 4.2Å; T149-V160 HydrophobicContact CG2-CG1 4.19Å; G156-V160 PolarHBondContact O-N 3.45Å; L157-V160 WeakPolarHBondContact O-CG1 3.23Å; E158-V160 PolarHBondContact O-N 3.09Å; V160-T164 WeakPolarHBondContact O-CB 3.16Å; V160-T164 PolarHBondContact O-N 2.95Å; V160-T164 PolarHBondContact O-OG1 3.05Å
161	F	98.1	Very high	97.3	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	23%	0.233	C	C	.	.	H	α-helix	trans	-76.5	-40.8	179.1	-81.7	-90.7	0	0	0	111.8	L10 I23 Y27 M49 I60 L84 L157 E158 N159 A165	L10-F161 HydrophobicContact CD1-CE1 4.49Å; I23-F161 HydrophobicContact CG2-CE2 3.88Å; I23-F161 HydrophobicContact CG2-CZ 4.21Å; Y27-F161 AromaticContact CD1-CD1 3.88Å; Y27-F161 HydrophobicContact CD1-CD1 3.88Å; Y27-F161 AromaticContact CD1-CD2 3.96Å; Y27-F161 HydrophobicContact CD1-CD2 3.96Å; Y27-F161 AromaticContact CD1-CE1 3.77Å; Y27-F161 HydrophobicContact CD1-CE1 3.77Å; Y27-F161 AromaticContact CD1-CE2 3.85Å; Y27-F161 HydrophobicContact CD1-CE2 3.85Å; Y27-F161 AromaticContact CD1-CG 3.97Å; Y27-F161 HydrophobicContact CD1-CG 3.97Å; Y27-F161 AromaticContact CD1-CZ 3.75Å; Y27-F161 HydrophobicContact CD1-CZ 3.75Å; Y27-F161 HydrophobicContact CD2-CB 4.25Å; Y27-F161 AromaticContact CD2-CD2 3.38Å; Y27-F161 HydrophobicContact CD2-CD2 3.38Å; Y27-F161 AromaticContact CD2-CE2 3.77Å; Y27-F161 HydrophobicContact CD2-CE2 3.77Å; Y27-F161 AromaticContact CD2-CG 3.82Å; Y27-F161 HydrophobicContact CD2-CG 3.82Å; Y27-F161 HydrophobicContact CD2-CZ 4.5Å; Y27-F161 HydrophobicContact CE1-CB 4.19Å; Y27-F161 AromaticContact CE1-CD1 3.6Å; Y27-F161 HydrophobicContact CE1-CD1 3.6Å; Y27-F161 HydrophobicContact CE1-CD2 4.15Å; Y27-F161 AromaticContact CE1-CE1 3.94Å; Y27-F161 HydrophobicContact CE1-CE1 3.94Å; Y27-F161 HydrophobicContact CE1-CE2 4.45Å; Y27-F161 AromaticContact CE1-CG 3.72Å; Y27-F161 HydrophobicContact CE1-CG 3.72Å; Y27-F161 HydrophobicContact CE1-CZ 4.35Å; Y27-F161 HydrophobicContact CE2-CB 3.55Å; Y27-F161 HydrophobicContact CE2-CD1 4.33Å; Y27-F161 AromaticContact CE2-CD2 3.62Å; Y27-F161 HydrophobicContact CE2-CD2 3.62Å; Y27-F161 HydrophobicContact CE2-CE2 4.39Å; Y27-F161 AromaticContact CE2-CG 3.58Å; Y27-F161 HydrophobicContact CE2-CG 3.58Å; Y27-F161 HydrophobicContact CG-CD1 4.34Å; Y27-F161 AromaticContact CG-CD2 3.56Å; Y27-F161 HydrophobicContact CG-CD2 3.56Å; Y27-F161 HydrophobicContact CG-CE1 4.26Å; Y27-F161 AromaticContact CG-CE2 3.46Å; Y27-F161 HydrophobicContact CG-CE2 3.46Å; Y27-F161 VanDerWaalsContact CG-CE2 3.46Å; Y27-F161 HydrophobicContact CG-CG 4.01Å; Y27-F161 AromaticContact CG-CZ 3.84Å; Y27-F161 HydrophobicContact CG-CZ 3.84Å; Y27-F161 AromaticContact CZ-CD1 3.86Å; Y27-F161 AromaticContact CZ-CG 3.52Å; M49-F161 HydrophobicContact CE-CB 3.99Å; I60-F161 HydrophobicContact CD1-CE1 3.85Å; L84-F161 HydrophobicContact CD1-CE1 4.46Å; L84-F161 HydrophobicContact CD1-CE2 4.49Å; L84-F161 HydrophobicContact CD1-CZ 4.21Å; L157-F161 VanDerWaalsContact O-CD2 3.29Å; L157-F161 WeakPolarHBondContact O-CD2 3.18Å; L157-F161 PolarHBondContact O-N 3.24Å; E158-F161 PolarHBondContact O-N 2.87Å; N159-F161 VanDerWaalsContact C-N 3.29Å; N159-F161 PolarHBondContact O-N 2.84Å; F161-A165 VanDerWaalsContact O-CB 3.23Å; F161-A165 WeakPolarHBondContact O-CB 3.16Å; F161-A165 PolarHBondContact O-N 2.78Å
162	S	97.5	Very high	97.1	Very high	36 Å²	36	44.5 Å²	44.5	25%	0.252	23%	0.232	S	C	.	.	H	α-helix	trans	-66.3	-47.9	-179.4	63.4	0	0	0	0	112.4	E158 N159 T164 A165 E166	E158-S162 WeakPolarHBondContact O-CB 3.37Å; E158-S162 PolarHBondContact O-N 3.01Å; E158-S162 PolarHBondContact O-OG 2.84Å; E158-S162 VanDerWaalsContact O-OG 3.13Å; N159-S162 WeakPolarHBondContact CA-OG 3.36Å; N159-S162 PolarHBondContact O-N 3.02Å; N159-S162 PolarHBondContact O-OG 3.49Å; S162-T164 VanDerWaalsContact C-N 3.35Å; S162-T164 PolarHBondContact O-N 3.25Å; S162-A165 WeakPolarHBondContact O-CB 3.37Å; S162-A165 PolarHBondContact O-N 2.8Å; S162-A165 VanDerWaalsContact O-N 3.11Å; S162-E166 PolarHBondContact O-N 3.31Å
163	E	98.5	Very high	96.8	Very high	79 Å²	79	45.6 Å²	45.6	37%	0.369	24%	0.237	S	C	.	.	H	α-helix	trans	-68.5	-36.3	-178.7	-67.1	-84.7	-174.7	0	0	111.5	L145 F147 N159 A165 R167	L145-E163 HydrophobicContact CD1-CB 4.34Å; F147-E163 HydrophobicContact CE1-CG 4.19Å; F147-E163 HydrophobicContact CE2-CB 3.91Å; F147-E163 HydrophobicContact CE2-CG 4.47Å; F147-E163 HydrophobicContact CZ-CB 3.52Å; F147-E163 HydrophobicContact CZ-CG 3.59Å; N159-E163 VanDerWaalsContact O-CB 3.27Å; N159-E163 WeakPolarHBondContact O-CB 3.26Å; N159-E163 VanDerWaalsContact O-CG 3.24Å; N159-E163 WeakPolarHBondContact O-CG 3.35Å; N159-E163 PolarHBondContact O-N 3.09Å; E163-A165 VanDerWaalsContact C-N 3.33Å; E163-R167 WeakPolarHBondContact O-CB 3.22Å; E163-R167 PolarHBondContact O-N 3.22Å
164	T	98.5	Very high	96.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-39.6	171.8	-60	0	0	0	0	111	L10 A82 L84 A114 V160 S162 M168	L10-T164 HydrophobicContact CD1-CG2 4.04Å; A82-T164 HydrophobicContact CB-CG2 3.58Å; L84-T164 HydrophobicContact CD2-CG2 4.04Å; A114-T164 HydrophobicContact CB-CG2 4.4Å; V160-T164 WeakPolarHBondContact O-CB 3.16Å; V160-T164 PolarHBondContact O-N 2.95Å; V160-T164 PolarHBondContact O-OG1 3.05Å; S162-T164 VanDerWaalsContact C-N 3.35Å; S162-T164 PolarHBondContact O-N 3.25Å; T164-M168 WeakPolarHBondContact O-CB 3.41Å; T164-M168 PolarHBondContact O-N 2.93Å
165	A	97.7	Very high	96.5	Very high	2 Å²	2	50.8 Å²	50.8	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-68.2	-39.2	178.3	0	0	0	0	0	112.9	M49 V51 L56 I58 F161 S162 E163 M168 C169	M49-A165 HydrophobicContact CE-CB 4.4Å; M49-A165 HydrophobicContact SD-CB 3.33Å; M49-A165 WeakPolarHBondContact SD-CB 3.29Å; V51-A165 HydrophobicContact CG2-CB 3.95Å; L56-A165 HydrophobicContact CD1-CB 3.91Å; I58-A165 HydrophobicContact CD1-CB 4.2Å; F161-A165 VanDerWaalsContact O-CB 3.23Å; F161-A165 WeakPolarHBondContact O-CB 3.16Å; F161-A165 PolarHBondContact O-N 2.78Å; S162-A165 WeakPolarHBondContact O-CB 3.37Å; S162-A165 PolarHBondContact O-N 2.8Å; S162-A165 VanDerWaalsContact O-N 3.11Å; E163-A165 VanDerWaalsContact C-N 3.33Å; A165-M168 HydrophobicContact CB-CE 4.5Å; A165-M168 WeakPolarHBondContact O-CB 3.39Å; A165-M168 PolarHBondContact O-N 3.14Å; A165-C169 WeakPolarHBondContact O-CB 3.34Å; A165-C169 PolarHBondContact O-N 3.35Å
166	E	97.8	Very high	96.1	Very high	96 Å²	96	48 Å²	48	45%	0.449	25%	0.248	S	C	.	.	H	α-helix	trans	-60.5	-51.3	172.2	-75.7	178.3	-162.1	0	0	111.5	V51 S162 M168 C169 D170	V51-E166 HydrophobicContact CG1-CG 3.75Å; S162-E166 PolarHBondContact O-N 3.31Å; E166-M168 PolarHBondContact O-N 3.31Å; E166-C169 WeakPolarHBondContact O-CB 3.49Å; E166-C169 PolarHBondContact O-N 3.2Å; E166-C169 VanDerWaalsContact O-N 3.15Å; E166-D170 PolarHBondContact O-N 2.81Å
167	R	97.9	Very high	95.4	Very high	81 Å²	81	50.1 Å²	50.1	31%	0.306	25%	0.254	S	S	.	.	H	α-helix	trans	-60.6	-36.9	177	-173.8	58.4	168.7	-162.5	-7.6	112.2	A114 N143 L145 E163 L171	A114-R167 HydrophobicContact CB-CB 3.96Å; A114-R167 HydrophobicContact CB-CG 3.73Å; N143-R167 PolarHBondContact OD1-NH2 2.87Å; L145-R167 HydrophobicContact CD1-CB 4.08Å; E163-R167 WeakPolarHBondContact O-CB 3.22Å; E163-R167 PolarHBondContact O-N 3.22Å; R167-L171 WeakPolarHBondContact O-CG 3.22Å; R167-L171 PolarHBondContact O-N 3.38Å
168	M	96.1	Very high	94.4	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-47.5	175.7	-176.9	171.8	62.6	0	0	111.3	T8 L56 I58 D81 A82 A114 T164 A165 E166 D170 L171 I172	T8-M168 HydrophobicContact CG2-CE 3.99Å; T8-M168 HydrophobicContact CG2-SD 4.21Å; T8-M168 VanDerWaalsContact OG1-CE 3.22Å; T8-M168 WeakPolarHBondContact OG1-CE 3.47Å; L56-M168 HydrophobicContact CD1-CE 3.91Å; I58-M168 HydrophobicContact CD1-CE 4.13Å; I58-M168 HydrophobicContact CG1-CE 4.13Å; D81-M168 HydrophobicContact CB-CG 3.58Å; D81-M168 HydrophobicContact CB-SD 3.51Å; D81-M168 VanDerWaalsContact CB-SD 3.51Å; A82-M168 HydrophobicContact CB-CB 4.44Å; A82-M168 HydrophobicContact CB-CG 4.39Å; A82-M168 HydrophobicContact CB-SD 3.76Å; A114-M168 HydrophobicContact CB-CB 4.15Å; T164-M168 WeakPolarHBondContact O-CB 3.41Å; T164-M168 PolarHBondContact O-N 2.93Å; A165-M168 HydrophobicContact CB-CE 4.5Å; A165-M168 WeakPolarHBondContact O-CB 3.39Å; A165-M168 PolarHBondContact O-N 3.14Å; E166-M168 PolarHBondContact O-N 3.31Å; M168-D170 PolarHBondContact O-N 3.41Å; M168-L171 PolarHBondContact O-N 3.01Å; M168-I172 HydrophobicContact CG-CD1 3.93Å; M168-I172 VanDerWaalsContact O-CG1 3.25Å; M168-I172 WeakPolarHBondContact O-CG1 3.5Å; M168-I172 PolarHBondContact O-N 3.3Å
169	C	95.2	Very high	93.2	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.02	27%	0.269	C	S	.	.	H	α-helix	trans	-54.8	-49.9	174.1	-87.7	0	0	0	0	112.1	V51 A165 E166 L171 I172 L173 F178	V51-C169 HydrophobicContact CG1-CB 4.25Å; A165-C169 WeakPolarHBondContact O-CB 3.34Å; A165-C169 PolarHBondContact O-N 3.35Å; E166-C169 WeakPolarHBondContact O-CB 3.49Å; E166-C169 PolarHBondContact O-N 3.2Å; E166-C169 VanDerWaalsContact O-N 3.15Å; C169-L171 VanDerWaalsContact C-N 3.26Å; C169-L171 PolarHBondContact O-N 3.3Å; C169-I172 PolarHBondContact O-N 2.99Å; C169-I172 VanDerWaalsContact O-N 3.11Å; C169-L173 PolarHBondContact O-N 2.89Å; C169-F178 HydrophobicContact CB-CZ 4.45Å
170	D	95.7	Very high	91.8	Very high	76 Å²	76	53 Å²	53	41%	0.406	28%	0.283	S	S	.	.	H	α-helix	trans	-55.6	-42.6	179.3	-79.3	-8.2	0	0	0	112.3	E166 M168 K174	E166-D170 PolarHBondContact O-N 2.81Å; M168-D170 PolarHBondContact O-N 3.41Å; D170-K174 WeakPolarHBondContact O-CB 3.48Å; D170-K174 VanDerWaalsContact O-CG 3.26Å; D170-K174 WeakPolarHBondContact O-CG 3.45Å; D170-K174 PolarHBondContact O-N 3.34Å
171	L	95.9	Very high	90.4	Very high	20 Å²	20	54.8 Å²	54.8	11%	0.105	29%	0.29	C	S	.	.	H	α-helix	trans	-70.7	-38.6	178.8	-68.1	171.8	0	0	0	111.9	P112 F113 A114 R167 M168 C169 R175	P112-L171 HydrophobicContact CB-CD2 4Å; F113-L171 WeakPolarHBondContact O-CD1 3.45Å; A114-L171 HydrophobicContact CB-CD1 4.17Å; A114-L171 VanDerWaalsContact N-CD1 3.33Å; R167-L171 WeakPolarHBondContact O-CG 3.22Å; R167-L171 PolarHBondContact O-N 3.38Å; M168-L171 PolarHBondContact O-N 3.01Å; C169-L171 VanDerWaalsContact C-N 3.26Å; C169-L171 PolarHBondContact O-N 3.3Å; L171-R175 VanDerWaalsContact O-CG 3.27Å; L171-R175 WeakPolarHBondContact O-CG 3.29Å; L171-R175 PolarHBondContact O-N 3.25Å; L171-R175 VanDerWaalsContact O-N 3.17Å; L171-R175 PolarHBondContact O-NE 3.19Å
172	I	93.7	Very high	88.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.2	-41.5	175.3	-61.3	166.6	0	0	0	110.6	T8 M168 C169 R175 G176 E177 F178	T8-I172 HydrophobicContact CG2-CD1 3.35Å; M168-I172 HydrophobicContact CG-CD1 3.93Å; M168-I172 VanDerWaalsContact O-CG1 3.25Å; M168-I172 WeakPolarHBondContact O-CG1 3.5Å; M168-I172 PolarHBondContact O-N 3.3Å; C169-I172 PolarHBondContact O-N 2.99Å; C169-I172 VanDerWaalsContact O-N 3.11Å; I172-R175 PolarHBondContact O-N 2.66Å; I172-G176 PolarHBondContact O-N 2.91Å; I172-E177 HydrophobicContact CG2-CB 4.05Å; I172-E177 PolarHBondContact O-N 2.84Å; I172-F178 HydrophobicContact CB-CD2 3.93Å; I172-F178 HydrophobicContact CB-CE2 3.45Å; I172-F178 VanDerWaalsContact CB-CE2 3.45Å; I172-F178 HydrophobicContact CB-CZ 4.04Å; I172-F178 HydrophobicContact CD1-CZ 4.49Å; I172-F178 HydrophobicContact CG2-CD1 4.39Å; I172-F178 HydrophobicContact CG2-CD2 3.32Å; I172-F178 HydrophobicContact CG2-CE1 4.41Å; I172-F178 HydrophobicContact CG2-CE2 3.33Å; I172-F178 HydrophobicContact CG2-CG 3.87Å; I172-F178 HydrophobicContact CG2-CZ 3.92Å
173	L	91.6	Very high	86.3	Confident	98 Å²	98	61.7 Å²	61.7	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-60.6	-48.7	175.6	-76.1	173.8	0	0	0	111.1	C169 R175 G176 F178	C169-L173 PolarHBondContact O-N 2.89Å; L173-R175 PolarHBondContact O-N 2.91Å; L173-G176 PolarHBondContact O-N 2.84Å; L173-F178 HydrophobicContact CB-CD2 4.45Å; L173-F178 HydrophobicContact CB-CE2 4.32Å; L173-F178 HydrophobicContact CD2-CD2 3.46Å; L173-F178 VanDerWaalsContact CD2-CD2 3.46Å; L173-F178 HydrophobicContact CD2-CE2 3.67Å; L173-F178 HydrophobicContact CD2-CG 4.37Å; L173-F178 HydrophobicContact CG-CD2 3.8Å; L173-F178 HydrophobicContact CG-CE2 3.53Å
174	K	93.6	Very high	83.6	Confident	161 Å²	161	62.9 Å²	62.9	70%	0.7	34%	0.342	S	S	*	.	H	α-helix	trans	-60.4	-27.4	178.4	-75.6	171.9	-178.4	173.9	0	113.6	D170	D170-K174 WeakPolarHBondContact O-CB 3.48Å; D170-K174 VanDerWaalsContact O-CG 3.26Å; D170-K174 WeakPolarHBondContact O-CG 3.45Å; D170-K174 PolarHBondContact O-N 3.34Å
175	R	93	Very high	80.8	Confident	54 Å²	54	67 Å²	67	20%	0.204	38%	0.377	C	S	.	.	H	α-helix	trans	-86.1	-12	176.4	-68.4	173.7	-68.9	-178.9	0.6	113.7	D81 P112 L171 I172 L173 E177	D81-R175 IonicContact OD1-CZ 3.7Å; D81-R175 IonicContact OD1-NH1 3.78Å; D81-R175 IonicContact OD1-NH2 3.86Å; D81-R175 PolarHBondContact OD1-NH2 3.42Å; P112-R175 PolarHBondContact O-NH1 3.41Å; L171-R175 VanDerWaalsContact O-CG 3.27Å; L171-R175 WeakPolarHBondContact O-CG 3.29Å; L171-R175 PolarHBondContact O-N 3.25Å; L171-R175 VanDerWaalsContact O-N 3.17Å; L171-R175 PolarHBondContact O-NE 3.19Å; I172-R175 PolarHBondContact O-N 2.66Å; L173-R175 PolarHBondContact O-N 2.91Å; R175-E177 VanDerWaalsContact C-N 3.29Å; R175-E177 HydrophobicContact CB-CB 4.45Å; R175-E177 HydrophobicContact CB-CG 3.79Å; R175-E177 WeakPolarHBondContact CD-OE1 3.5Å; R175-E177 IonicContact CZ-OE2 2.72Å; R175-E177 IonicContact NE-OE2 3.84Å; R175-E177 IonicContact NH1-OE2 3.3Å; R175-E177 PolarHBondContact O-N 3.46Å
176	G	88.8	Confident	78.2	Confident	57 Å²	57	68.9 Å²	68.9	59%	0.588	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	21	-175.9	0	0	0	0	0	114.2	I172 L173	I172-G176 PolarHBondContact O-N 2.91Å; L173-G176 PolarHBondContact O-N 2.84Å
177	E	83.9	Confident	75	Confident	59 Å²	59	71 Å²	71	28%	0.276	40%	0.402	S	S	.	.			trans	-91.4	-5.3	-169.6	-72.3	175	-169.1	0	0	114.5	K111 I172 R175 G179 H180 R181	K111-E177 IonicContact NZ-OE2 2.63Å; I172-E177 HydrophobicContact CG2-CB 4.05Å; I172-E177 PolarHBondContact O-N 2.84Å; R175-E177 VanDerWaalsContact C-N 3.29Å; R175-E177 HydrophobicContact CB-CB 4.45Å; R175-E177 HydrophobicContact CB-CG 3.79Å; R175-E177 WeakPolarHBondContact CD-OE1 3.5Å; R175-E177 IonicContact CZ-OE2 2.72Å; R175-E177 IonicContact NE-OE2 3.84Å; R175-E177 IonicContact NH1-OE2 3.3Å; R175-E177 PolarHBondContact O-N 3.46Å; E177-G179 VanDerWaalsContact C-N 3.28Å; E177-G179 PolarHBondContact O-N 3.25Å; E177-H180 PolarHBondContact O-N 3.38Å; E177-R181 WeakPolarHBondContact O-CD 3.27Å; E177-R181 WeakPolarHBondContact O-CG 3.27Å; E177-R181 IonicContact OE2-CZ 3.94Å; E177-R181 IonicContact OE2-NE 2.66Å; E177-R181 IonicContact OE2-NH2 3.98Å; E177-R181 PolarHBondContact OE2-NH2 2.66Å
178	F	77.2	Confident	71.9	Confident	50 Å²	50	74.5 Å²	74.5	22%	0.219	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-58.4	-35.4	-173.7	-99.4	-78.4	0	0	0	114.1	C6 I54 L56 C169 I172 L173 H180	C6-F178 HydrophobicContact CB-CD1 3.73Å; C6-F178 HydrophobicContact CB-CE1 3.5Å; C6-F178 VanDerWaalsContact CB-CE1 3.5Å; C6-F178 WeakPolarHBondContact SG-CD1 3.44Å; C6-F178 WeakPolarHBondContact SG-CE1 3.46Å; I54-F178 HydrophobicContact CD1-CE1 3.88Å; I54-F178 HydrophobicContact CD1-CE2 4.16Å; I54-F178 HydrophobicContact CD1-CZ 3.61Å; I54-F178 HydrophobicContact CG1-CE1 4.42Å; I54-F178 HydrophobicContact CG2-CD1 4.41Å; I54-F178 HydrophobicContact CG2-CE1 3.43Å; I54-F178 VanDerWaalsContact CG2-CE1 3.43Å; I54-F178 HydrophobicContact CG2-CZ 3.95Å; L56-F178 HydrophobicContact CD2-CE1 4.47Å; C169-F178 HydrophobicContact CB-CZ 4.45Å; I172-F178 HydrophobicContact CB-CD2 3.93Å; I172-F178 HydrophobicContact CB-CE2 3.45Å; I172-F178 VanDerWaalsContact CB-CE2 3.45Å; I172-F178 HydrophobicContact CB-CZ 4.04Å; I172-F178 HydrophobicContact CD1-CZ 4.49Å; I172-F178 HydrophobicContact CG2-CD1 4.39Å; I172-F178 HydrophobicContact CG2-CD2 3.32Å; I172-F178 HydrophobicContact CG2-CE1 4.41Å; I172-F178 HydrophobicContact CG2-CE2 3.33Å; I172-F178 HydrophobicContact CG2-CG 3.87Å; I172-F178 HydrophobicContact CG2-CZ 3.92Å; L173-F178 HydrophobicContact CB-CD2 4.45Å; L173-F178 HydrophobicContact CB-CE2 4.32Å; L173-F178 HydrophobicContact CD2-CD2 3.46Å; L173-F178 VanDerWaalsContact CD2-CD2 3.46Å; L173-F178 HydrophobicContact CD2-CE2 3.67Å; L173-F178 HydrophobicContact CD2-CG 4.37Å; L173-F178 HydrophobicContact CG-CD2 3.8Å; L173-F178 HydrophobicContact CG-CE2 3.53Å; F178-H180 PolarHBondContact O-N 2.79Å
179	G	69.8	Low	68.8	Low	71 Å²	71	83.1 Å²	83.1	73%	0.732	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-77.2	-14.2	-177.8	0	0	0	0	0	115.6	E177	E177-G179 VanDerWaalsContact C-N 3.28Å; E177-G179 PolarHBondContact O-N 3.25Å
180	H	68.4	Low	66	Low	167 Å²	167	87.4 Å²	87.4	77%	0.773	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-105.5	3.5	-170.9	-66.9	83.7	0	0	0	113.5	E177 F178 D182	E177-H180 PolarHBondContact O-N 3.38Å; F178-H180 PolarHBondContact O-N 2.79Å; H180-D182 PolarHBondContact O-N 3.38Å
181	R	69.8	Low	62.9	Low	37 Å²	37	88.8 Å²	88.8	14%	0.14	52%	0.515	C	S	.	.			trans	-96	72.1	-170.4	-72.6	168.3	171.7	-109	2.1	111.4	V7 D81 E177	V7-R181 PolarHBondContact O-NH1 3.18Å; D81-R181 VanDerWaalsContact CG-NH1 3.25Å; D81-R181 IonicContact OD1-CZ 2.68Å; D81-R181 IonicContact OD1-NH1 3.66Å; D81-R181 PolarHBondContact OD1-NH1 2.81Å; D81-R181 IonicContact OD1-NH2 2.8Å; D81-R181 PolarHBondContact OD1-NH2 3.03Å; D81-R181 IonicContact OD2-CZ 3.6Å; D81-R181 IonicContact OD2-NH1 3.47Å; D81-R181 PolarHBondContact OD2-NH1 3.08Å; D81-R181 IonicContact OD2-NH2 3.69Å; E177-R181 WeakPolarHBondContact O-CD 3.27Å; E177-R181 WeakPolarHBondContact O-CG 3.27Å; E177-R181 IonicContact OE2-CZ 3.94Å; E177-R181 IonicContact OE2-NE 2.66Å; E177-R181 IonicContact OE2-NH2 3.98Å; E177-R181 PolarHBondContact OE2-NH2 2.66Å
182	D	56.6	Low	60.1	Low	107 Å²	107	91 Å²	91	57%	0.572	53%	0.533	S	S	*	.			trans	-78.3	148.2	171.9	-78.2	-23.5	0	0	0	112.2	K4 H180 V184	K4-D182 WeakPolarHBondContact CE-OD1 3.29Å; K4-D182 VanDerWaalsContact NZ-CG 3.3Å; K4-D182 IonicContact NZ-OD1 2.94Å; K4-D182 PolarHBondContact NZ-OD1 3.09Å; K4-D182 IonicContact NZ-OD2 2.67Å; H180-D182 PolarHBondContact O-N 3.38Å; D182-V184 PolarHBondContact O-N 2.86Å
183	S	53	Low	57.5	Low	76 Å²	76	94.5 Å²	94.5	53%	0.531	56%	0.557	S	S	.	*			trans	-62.7	105.3	-178.5	49.1	0	0	0	0	112	A185	S183-A185 PolarHBondContact O-N 3.28Å
184	V	42.2	Very low	54.8	Low	103 Å²	103	94 Å²	94	62%	0.624	56%	0.558	S	S	*	*			trans	-67.1	116.5	162.2	-176.6	0	0	0	0	107.6	D182 V186	D182-V184 PolarHBondContact O-N 2.86Å; V184-V186 PolarHBondContact O-N 3.25Å
185	A	39.5	Very low	52.3	Low	89 Å²	89	94.6 Å²	94.6	74%	0.736	56%	0.556	S	S	*	*			trans	-62	105.4	165.1	0	0	0	0	0	107.3	S183 D187	S183-A185 PolarHBondContact O-N 3.28Å; A185-D187 PolarHBondContact O-N 2.86Å
186	V	41.5	Very low	49.5	Very low	40 Å²	40	101.8 Å²	101.8	24%	0.242	58%	0.583	C	S	.	*			trans	-65.5	119.5	166.3	-179.5	0	0	0	0	105.6	F44 V184 N188	F44-V186 HydrophobicContact CE1-CB 4.46Å; F44-V186 HydrophobicContact CE1-CG2 4.19Å; F44-V186 HydrophobicContact CE2-CG2 4.32Å; F44-V186 HydrophobicContact CZ-CG2 3.86Å; V184-V186 PolarHBondContact O-N 3.25Å; V186-N188 PolarHBondContact O-N 3.3Å
187	D	32.2	Very low	47.1	Very low	142 Å²	142	106.2 Å²	106.2	76%	0.759	59%	0.586	S	S	*	*			trans	-50.8	131.8	-177.5	-148.1	-5.7	0	0	0	109.8	A185 Q189	A185-D187 PolarHBondContact O-N 2.86Å; D187-Q189 PolarHBondContact O-N 3.08Å
188	N	31.4	Very low	44.4	Very low	153 Å²	153	109 Å²	109	82%	0.818	61%	0.611	S	S	*	*	S	Bend	trans	-80.6	43.5	-151	-136.8	12.7	0	0	0	113.2	V186	V186-N188 PolarHBondContact O-N 3.3Å
189	Q	32.2	Very low	42.7	Very low	182 Å²	182	116.7 Å²	116.7	85%	0.85	67%	0.668	S	S	*	*	S	Bend	trans	-103.3	3.8	-177.7	-73.1	-165.2	13.7	0	0	115.6	D187	D187-Q189 PolarHBondContact O-N 3.08Å
190	T	35.6	Very low	41.3	Very low	93 Å²	93	119 Å²	119	57%	0.571	67%	0.665	S	S	*	*	S	Bend	trans	-131.6	92.9	166.2	52.4	0	0	0	0	109.9	S192	T190-S192 PolarHBondContact O-N 2.55Å
191	A	30.7	Very low	39.9	Very low	105 Å²	105	116.4 Å²	116.4	87%	0.868	66%	0.66	S	S	*	*			trans	-56.1	117.3	171	0	0	0	0	0	109.8
192	S	38.4	Very low	38.2	Very low	67 Å²	67	120.8 Å²	120.8	47%	0.469	69%	0.688	S	S	.	*			trans	-146.7	136.5	158.7	70.2	0	0	0	0	110.1	F44 T190	F44-S192 PolarHBondContact O-OG 3.07Å; T190-S192 PolarHBondContact O-N 2.55Å
193	S	38.3	Very low	37.1	Very low	74 Å²	74	121.6 Å²	121.6	52%	0.517	70%	0.695	S	S	.	*			trans	-67	132.9	-169.6	48	0	0	0	0	112.6	W195	S193-W195 PolarHBondContact O-N 3.07Å; S193-W195 PolarHBondContact OG-NE1 3.22Å
194	V	35.4	Very low	36.1	Very low	88 Å²	88	124.5 Å²	124.5	53%	0.533	71%	0.705	S	S	.	*			trans	-71.4	113.3	168	178.6	0	0	0	0	108.1
195	W	39.6	Very low	35.7	Very low	172 Å²	172	125.9 Å²	125.9	65%	0.652	71%	0.711	S	S	*	*			trans	-99.5	122.8	172	-63.4	104	0	0	0	109.5	S193	S193-W195 PolarHBondContact O-N 3.07Å; S193-W195 PolarHBondContact OG-NE1 3.22Å
196	R	35.3	Very low	35.5	Very low	206 Å²	206	128.6 Å²	128.6	78%	0.777	71%	0.709	S	S	*	*			trans	-91.4	117.5	169.8	-65.5	-175.8	-172.2	179.3	4.2	108.2
197	K	37.7	Very low	35	Very low	149 Å²	149	135.4 Å²	135.4	65%	0.648	75%	0.745	S	S	*	*			trans	-90	112.4	159.1	-88.7	-175.7	171.7	-176.7	0	107.5	E158	E158-K197 IonicContact OE1-NZ 3.45Å
198	C	27.3	Very low	35.2	Very low	119 Å²	119	134.8 Å²	134.8	80%	0.804	74%	0.744	S	S	*	*			trans	-78.3	145.6	157.3	-75.4	0	0	0	0	108
199	C	40.9	Very low	35.6	Very low	210 Å²	210	133.2 Å²	133.2	100%	1.419	74%	0.737	S	S	*	*			trans	-45.2	0	177.5	-51.8	0	0	0	0	113.7

Retrieved 199 of 199 residues in 1399.7 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).