A0A077ZFS8_TRITR Loading...

40S ribosomal protein S15

AlphaFold DB , UniProt , Accession A0A077ZFS8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 146 aa.

						>A0A077ZFS8_TRITR|A0A077ZFS8
MEDAQEAKKKRTFKKYSYRGVDLENLLDLNNAQLGELMHARARRRLKRGLRRKHFAFLKRLRKAKKDAGALEKPAVIKTHLRDMIVLPEMIGNLVGIHNGKQFNAVEIRPEMVGHYLGEFSITYKPVKHGRPGIGATHSSRFIPLK
					

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	52.4	Low	51.6	Low	221 Å²	221	155.8 Å²	155.8	100%	1.089	75%	0.752	S	S	*	*				0	-8.6	0	-88	-172.1	-160.7	0	0	112.8
2	E	51.5	Low	51.6	Low	164 Å²	164	153.8 Å²	153.8	77%	0.766	76%	0.757	S	S	*	*			trans	-75.7	-30	175.1	-79.3	175.1	126.6	0	0	113.8	A4 Q5 E6	E2-A4 PolarHBondContact O-N 3.43Å; E2-A4 VanDerWaalsContact O-N 3.09Å; E2-Q5 PolarHBondContact O-N 3.26Å; E2-E6 PolarHBondContact O-N 3.19Å
3	D	53.1	Low	52.3	Low	128 Å²	128	157.4 Å²	157.4	68%	0.684	77%	0.766	S	S	*	*	H	α-helix	trans	-62.4	-25	-175.9	-52.5	-64.2	0	0	0	113.9	Q5 A7	D3-Q5 VanDerWaalsContact C-N 3.33Å; D3-A7 PolarHBondContact O-N 3.09Å
4	A	56.5	Low	53.3	Low	66 Å²	66	160.9 Å²	160.9	55%	0.545	78%	0.775	S	S	.	*	H	α-helix	trans	-76.2	-19.4	177.3	0	0	0	0	0	113.3	E2	E2-A4 PolarHBondContact O-N 3.43Å; E2-A4 VanDerWaalsContact O-N 3.09Å
5	Q	51.8	Low	55.1	Low	153 Å²	153	159.8 Å²	159.8	72%	0.715	77%	0.766	S	S	*	*	H	α-helix	trans	-88.3	-32.1	177.2	-64.5	-166.9	5.8	0	0	112.2	E2 D3	E2-Q5 PolarHBondContact O-N 3.26Å; D3-Q5 VanDerWaalsContact C-N 3.33Å
6	E	50.9	Low	57.1	Low	145 Å²	145	153.3 Å²	153.3	68%	0.678	73%	0.732	S	S	*	*	H	α-helix	trans	-71.9	-34.8	175.4	-87	-170	146.8	0	0	113.4	E2 K8 K9	E2-E6 PolarHBondContact O-N 3.19Å; E6-K8 PolarHBondContact O-N 3.19Å; E6-K9 PolarHBondContact O-N 3.48Å
7	A	52.7	Low	59	Low	72 Å²	72	147.8 Å²	147.8	60%	0.595	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-63.5	-23	177.5	0	0	0	0	0	113.7	D3 K9	D3-A7 PolarHBondContact O-N 3.09Å; A7-K9 VanDerWaalsContact C-N 3.33Å; A7-K9 PolarHBondContact O-N 3.47Å
8	K	52.1	Low	60.7	Low	174 Å²	174	140.9 Å²	140.9	76%	0.757	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-74.2	-18.7	178.4	-73.1	-177.7	-179.8	177.6	0	113.7	E6	E6-K8 PolarHBondContact O-N 3.19Å
9	K	52.1	Low	62.2	Low	190 Å²	190	141.3 Å²	141.3	83%	0.826	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-85.4	-1.9	-178.8	-71.4	-179.1	178.7	175.2	0	114.5	E6 A7	E6-K9 PolarHBondContact O-N 3.48Å; A7-K9 VanDerWaalsContact C-N 3.33Å; A7-K9 PolarHBondContact O-N 3.47Å
10	K	46.1	Very low	63.5	Low	186 Å²	186	137.8 Å²	137.8	81%	0.809	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-94.4	11.4	-178.3	-72.6	-174.9	179.3	177.1	0	115.8	T12	K10-T12 PolarHBondContact O-N 2.95Å
11	R	48.1	Very low	64.8	Low	215 Å²	215	132.7 Å²	132.7	81%	0.811	65%	0.652	S	S	*	*			trans	-81.3	98.7	163.2	-71.4	-175.1	179.2	-176.6	0.6	107.5	F13	R11-F13 PolarHBondContact O-N 2.93Å
12	T	51.8	Low	66.6	Low	131 Å²	131	124.3 Å²	124.3	80%	0.804	61%	0.612	S	S	*	*			trans	-54.4	105.4	167.1	47.7	0	0	0	0	107.7	K10 K14	K10-T12 PolarHBondContact O-N 2.95Å; T12-K14 PolarHBondContact O-N 2.67Å
13	F	61	Low	68.3	Low	201 Å²	201	119 Å²	119	88%	0.882	59%	0.589	S	S	*	*			trans	-57	117.1	171.3	-80.6	-87.9	0	0	0	106.8	R11 K15	R11-F13 PolarHBondContact O-N 2.93Å; F13-K15 PolarHBondContact O-N 3.42Å
14	K	66.7	Low	69.9	Low	206 Å²	206	119.8 Å²	119.8	90%	0.896	59%	0.588	S	S	*	*			trans	-64	105.3	176.1	-72.6	-174	178.5	-177.2	0	107.3	T12 Y16	T12-K14 PolarHBondContact O-N 2.67Å; K14-Y16 PolarHBondContact O-N 3.06Å; K14-Y16 VanDerWaalsContact O-N 3.13Å
15	K	80.3	Confident	71.5	Confident	145 Å²	145	120.7 Å²	120.7	63%	0.63	58%	0.584	S	S	*	*			trans	-64.6	112.9	170.4	-164.8	-177.5	-168.4	-170.4	0	106.9	F13 D22	F13-K15 PolarHBondContact O-N 3.42Å; K15-D22 VanDerWaalsContact CE-OD1 3.28Å; K15-D22 WeakPolarHBondContact CE-OD1 3.26Å; K15-D22 WeakPolarHBondContact CE-OD2 2.79Å; K15-D22 IonicContact NZ-OD1 2.78Å; K15-D22 PolarHBondContact NZ-OD1 3.22Å; K15-D22 IonicContact NZ-OD2 3.87Å; K15-D22 PolarHBondContact NZ-OD2 2.72Å
16	Y	85.9	Confident	73.3	Confident	56 Å²	56	113.5 Å²	113.5	22%	0.22	55%	0.55	C	S	.	*			trans	-81	125.5	177	-179.5	-98.3	0	0	0	109.1	K14 L23 P110 E111	K14-Y16 PolarHBondContact O-N 3.06Å; K14-Y16 VanDerWaalsContact O-N 3.13Å; Y16-L23 PolarHBondContact O-N 2.89Å; Y16-P110 HydrophobicContact CD1-CB 3.36Å; Y16-P110 HydrophobicContact CD2-CB 4.34Å; Y16-P110 VanDerWaalsContact CE1-C 3.45Å; Y16-P110 HydrophobicContact CE1-CB 3.76Å; Y16-P110 WeakPolarHBondContact CE1-O 3.49Å; Y16-P110 HydrophobicContact CG-CB 3.67Å; Y16-P110 VanDerWaalsContact CZ-C 3.48Å; Y16-P110 PolarHBondContact OH-O 3.27Å; Y16-E111 HydrophobicContact CD2-CG 3.98Å; Y16-E111 HydrophobicContact CE2-CB 4.21Å; Y16-E111 HydrophobicContact CE2-CG 3.74Å; Y16-E111 WeakPolarHBondContact OH-CA 3.44Å
17	S	89.5	Confident	75	Confident	59 Å²	59	111.1 Å²	111.1	41%	0.413	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.2	168.6	62.6	0	0	0	0	109.6	V21	S17-V21 CarbonylContact C-O 3.6Å; S17-V21 VanDerWaalsContact CA-O 3.26Å; S17-V21 WeakPolarHBondContact CA-O 3.41Å; S17-V21 WeakPolarHBondContact CB-O 3.28Å
18	Y	90.2	Very high	76.8	Confident	25 Å²	25	114.1 Å²	114.1	10%	0.098	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	111.4	175.1	-176.2	-102	0	0	0	108.9	G20 V21 L26 L37 M38 V113	Y18-G20 PolarHBondContact O-N 3Å; Y18-V21 PolarHBondContact N-O 3.2Å; Y18-V21 PolarHBondContact O-N 3.32Å; Y18-L26 HydrophobicContact CD1-CD1 4.21Å; Y18-L26 HydrophobicContact CG-CD2 4.43Å; Y18-L37 HydrophobicContact CE1-CB 4.32Å; Y18-M38 HydrophobicContact CE1-CG 4.46Å; Y18-V113 VanDerWaalsContact CE2-O 3.3Å; Y18-V113 WeakPolarHBondContact CE2-O 3.49Å
19	R	89.6	Confident	78.6	Confident	147 Å²	147	108 Å²	108	56%	0.555	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	41.5	178.8	-60.9	-179.3	173.1	-130.3	-7.7	113.3	L37	R19-L37 WeakPolarHBondContact CD-O 3.44Å; R19-L37 PolarHBondContact NE-O 3.34Å; R19-L37 PolarHBondContact NH1-O 2.79Å
20	G	88.4	Confident	80.4	Confident	72 Å²	72	103.7 Å²	103.7	74%	0.742	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-4.1	179	0	0	0	0	0	115.2	Y18	Y18-G20 PolarHBondContact O-N 3Å
21	V	89.6	Confident	82.3	Confident	30 Å²	30	99.4 Å²	99.4	18%	0.182	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.4	175.8	-176.1	0	0	0	0	109.9	S17 Y18 N25 L26 L29 L37	S17-V21 CarbonylContact C-O 3.6Å; S17-V21 VanDerWaalsContact CA-O 3.26Å; S17-V21 WeakPolarHBondContact CA-O 3.41Å; S17-V21 WeakPolarHBondContact CB-O 3.28Å; Y18-V21 PolarHBondContact N-O 3.2Å; Y18-V21 PolarHBondContact O-N 3.32Å; V21-N25 HydrophobicContact CG1-CB 3.72Å; V21-L26 HydrophobicContact CB-CD1 4.38Å; V21-L26 HydrophobicContact CG1-CB 4.35Å; V21-L26 HydrophobicContact CG1-CD1 4.25Å; V21-L29 HydrophobicContact CG1-CD1 4.43Å; V21-L37 HydrophobicContact CB-CD1 4.38Å; V21-L37 HydrophobicContact CG2-CD1 3.76Å; V21-L37 HydrophobicContact CG2-CD2 4.32Å
22	D	90.9	Very high	84.2	Confident	45 Å²	45	92.2 Å²	92.2	24%	0.241	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	152.5	175.4	-74	-39.9	0	0	0	112.1	K15 E24 N25 L26	K15-D22 VanDerWaalsContact CE-OD1 3.28Å; K15-D22 WeakPolarHBondContact CE-OD1 3.26Å; K15-D22 WeakPolarHBondContact CE-OD2 2.79Å; K15-D22 IonicContact NZ-OD1 2.78Å; K15-D22 PolarHBondContact NZ-OD1 3.22Å; K15-D22 IonicContact NZ-OD2 3.87Å; K15-D22 PolarHBondContact NZ-OD2 2.72Å; D22-E24 VanDerWaalsContact C-N 3.29Å; D22-E24 PolarHBondContact O-N 3.13Å; D22-N25 PolarHBondContact O-N 3.25Å; D22-L26 WeakPolarHBondContact O-CB 3.47Å; D22-L26 PolarHBondContact O-N 2.94Å
23	L	86.5	Confident	86.1	Confident	53 Å²	53	90.7 Å²	90.7	28%	0.277	47%	0.465	S	S	.	.	H	α-helix	trans	-55.1	-40.4	-177.5	178.2	61.7	0	0	0	114	Y16 L26 I91 P110	Y16-L23 PolarHBondContact O-N 2.89Å; L23-L26 WeakPolarHBondContact O-CB 3.3Å; L23-L26 PolarHBondContact O-N 2.73Å; L23-I91 HydrophobicContact CD1-CD1 3.37Å; L23-P110 HydrophobicContact CD1-CB 4.42Å; L23-P110 HydrophobicContact CD2-CB 4.43Å; L23-P110 HydrophobicContact CD2-CG 4.1Å
24	E	86.2	Confident	87.5	Confident	144 Å²	144	81.5 Å²	81.5	67%	0.673	43%	0.425	S	S	*	.	H	α-helix	trans	-61	-53.6	178.5	-68.6	169.8	-174.5	0	0	110.1	D22 L26 L27	D22-E24 VanDerWaalsContact C-N 3.29Å; D22-E24 PolarHBondContact O-N 3.13Å; E24-L26 PolarHBondContact O-N 3.29Å; E24-L27 PolarHBondContact O-N 3.25Å
25	N	90.2	Very high	88.7	Confident	86 Å²	86	71.8 Å²	71.8	46%	0.46	38%	0.384	S	S	.	.	H	α-helix	trans	-61.9	-28.8	178	-62.6	-17.7	0	0	0	112.7	V21 D22 L27 D28	V21-N25 HydrophobicContact CG1-CB 3.72Å; D22-N25 PolarHBondContact O-N 3.25Å; N25-L27 VanDerWaalsContact C-N 3.27Å; N25-L27 PolarHBondContact O-N 3.41Å; N25-D28 PolarHBondContact O-N 2.95Å
26	L	89.5	Confident	89.2	Confident	2 Å²	2	71.2 Å²	71.2	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-67.7	-27.2	-179	-163.6	70.7	0	0	0	112.7	Y18 V21 D22 L23 E24 D28 L29 L34 L37 P88 V113	Y18-L26 HydrophobicContact CD1-CD1 4.21Å; Y18-L26 HydrophobicContact CG-CD2 4.43Å; V21-L26 HydrophobicContact CB-CD1 4.38Å; V21-L26 HydrophobicContact CG1-CB 4.35Å; V21-L26 HydrophobicContact CG1-CD1 4.25Å; D22-L26 WeakPolarHBondContact O-CB 3.47Å; D22-L26 PolarHBondContact O-N 2.94Å; L23-L26 WeakPolarHBondContact O-CB 3.3Å; L23-L26 PolarHBondContact O-N 2.73Å; E24-L26 PolarHBondContact O-N 3.29Å; L26-D28 VanDerWaalsContact C-N 3.34Å; L26-L29 HydrophobicContact CD1-CD1 3.96Å; L26-L34 HydrophobicContact CD1-CD1 3.95Å; L26-L34 HydrophobicContact CG-CD1 4.4Å; L26-L37 HydrophobicContact CD1-CD1 4.1Å; L26-P88 HydrophobicContact CD2-CB 4.08Å; L26-P88 HydrophobicContact CD2-CG 3.71Å; L26-P88 HydrophobicContact CG-CB 4.06Å; L26-P88 HydrophobicContact CG-CG 3.61Å; L26-V113 HydrophobicContact CD2-CG1 4.13Å
27	L	88.2	Confident	89.5	Confident	95 Å²	95	70.5 Å²	70.5	50%	0.497	38%	0.383	S	S	.	.	H	α-helix	trans	-74.1	-28.1	177.1	-70.6	168.5	0	0	0	112.4	E24 N25 P88	E24-L27 PolarHBondContact O-N 3.25Å; N25-L27 VanDerWaalsContact C-N 3.27Å; N25-L27 PolarHBondContact O-N 3.41Å; L27-P88 HydrophobicContact CD2-CB 3.87Å
28	D	90.3	Very high	89.5	Confident	135 Å²	135	67.7 Å²	67.7	72%	0.722	36%	0.363	S	S	*	.	H	α-helix	trans	-85.9	-11.2	-176.7	-61.9	-34.1	0	0	0	113.1	N25 L26	N25-D28 PolarHBondContact O-N 2.95Å; L26-D28 VanDerWaalsContact C-N 3.34Å
29	L	89.2	Confident	89.7	Confident	46 Å²	46	69.4 Å²	69.4	24%	0.241	37%	0.372	C	S	.	.	S	Bend	trans	-68.6	138.2	178.8	-64.9	-176.5	0	0	0	112.4	V21 L26 Q33 L37	V21-L29 HydrophobicContact CG1-CD1 4.43Å; L26-L29 HydrophobicContact CD1-CD1 3.96Å; L29-Q33 HydrophobicContact CB-CB 4.35Å; L29-Q33 HydrophobicContact CD2-CB 4.32Å; L29-L37 HydrophobicContact CD1-CD1 3.37Å
30	N	90.5	Very high	89.9	Confident	99 Å²	99	66.2 Å²	66.2	53%	0.529	38%	0.377	S	S	.	.			trans	-67.9	154.9	168.7	-170	2	0	0	0	110.7	A32 Q33 L34	N30-A32 PolarHBondContact O-N 3.35Å; N30-A32 VanDerWaalsContact O-N 3.08Å; N30-Q33 VanDerWaalsContact N-OE1 3.09Å; N30-Q33 PolarHBondContact O-N 3.08Å; N30-L34 WeakPolarHBondContact O-CB 3.39Å; N30-L34 PolarHBondContact O-N 3.39Å
31	N	85.5	Confident	90.2	Very high	96 Å²	96	69.3 Å²	69.3	51%	0.513	37%	0.367	S	S	.	.	H	α-helix	trans	-53.5	-32.1	178.4	-71.7	-51.2	0	0	0	113.6	G35	N31-G35 PolarHBondContact O-N 3.02Å
32	A	87.9	Confident	90.4	Very high	64 Å²	64	67.9 Å²	67.9	53%	0.529	36%	0.358	S	S	.	.	H	α-helix	trans	-67	-51.9	175.7	0	0	0	0	0	111.6	N30 L34 G35 E36	N30-A32 PolarHBondContact O-N 3.35Å; N30-A32 VanDerWaalsContact O-N 3.08Å; A32-L34 PolarHBondContact O-N 3.03Å; A32-G35 WeakPolarHBondContact O-CA 3.1Å; A32-G35 PolarHBondContact O-N 3.21Å; A32-G35 VanDerWaalsContact O-N 3.12Å; A32-E36 PolarHBondContact O-N 2.79Å; A32-E36 VanDerWaalsContact O-N 3.12Å
33	Q	91.6	Very high	90.5	Very high	99 Å²	99	71.2 Å²	71.2	46%	0.463	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-42.7	178	-66.1	169.4	-49.3	0	0	111.2	L29 N30 G35 E36 L37	L29-Q33 HydrophobicContact CB-CB 4.35Å; L29-Q33 HydrophobicContact CD2-CB 4.32Å; N30-Q33 VanDerWaalsContact N-OE1 3.09Å; N30-Q33 PolarHBondContact O-N 3.08Å; Q33-G35 VanDerWaalsContact C-N 3.27Å; Q33-G35 PolarHBondContact O-N 3.29Å; Q33-E36 WeakPolarHBondContact O-CB 3.27Å; Q33-E36 PolarHBondContact O-N 3.21Å; Q33-E36 VanDerWaalsContact O-N 3.15Å; Q33-L37 PolarHBondContact O-N 3.17Å
34	L	91.2	Very high	90.8	Very high	7 Å²	7	75.2 Å²	75.2	4%	0.037	38%	0.378	C	S	.	.	H	α-helix	trans	-59.3	-40.2	174	-176.6	64.7	0	0	0	111.5	L26 N30 A32 E36 L37 M38 L87 P88	L26-L34 HydrophobicContact CD1-CD1 3.95Å; L26-L34 HydrophobicContact CG-CD1 4.4Å; N30-L34 WeakPolarHBondContact O-CB 3.39Å; N30-L34 PolarHBondContact O-N 3.39Å; A32-L34 PolarHBondContact O-N 3.03Å; L34-E36 VanDerWaalsContact C-N 3.32Å; L34-E36 PolarHBondContact O-N 3.32Å; L34-L37 PolarHBondContact O-N 3.2Å; L34-M38 HydrophobicContact CD1-CE 3.87Å; L34-M38 HydrophobicContact CD2-CE 3.83Å; L34-M38 HydrophobicContact CG-CE 3.69Å; L34-M38 HydrophobicContact CG-SD 4.37Å; L34-M38 WeakPolarHBondContact O-CG 3.47Å; L34-M38 PolarHBondContact O-N 3.4Å; L34-M38 VanDerWaalsContact O-N 3.07Å; L34-L87 HydrophobicContact CD2-CD2 4Å; L34-P88 HydrophobicContact CD1-CG 3.83Å; L34-P88 HydrophobicContact CD2-CG 4.07Å
35	G	90.8	Very high	91.1	Very high	3 Å²	3	70.6 Å²	70.6	3%	0.031	36%	0.355	C	S	.	.	H	α-helix	trans	-63.2	-35.1	176.4	0	0	0	0	0	113.5	N31 A32 Q33 M38 R43	N31-G35 PolarHBondContact O-N 3.02Å; A32-G35 WeakPolarHBondContact O-CA 3.1Å; A32-G35 PolarHBondContact O-N 3.21Å; A32-G35 VanDerWaalsContact O-N 3.12Å; Q33-G35 VanDerWaalsContact C-N 3.27Å; Q33-G35 PolarHBondContact O-N 3.29Å; G35-M38 PolarHBondContact O-N 3.04Å; G35-R43 VanDerWaalsContact O-CB 3.26Å; G35-R43 WeakPolarHBondContact O-CB 3.26Å; G35-R43 WeakPolarHBondContact O-CG 3.45Å; G35-R43 PolarHBondContact O-NE 3.25Å
36	E	91.7	Very high	91.2	Very high	133 Å²	133	67.8 Å²	67.8	62%	0.621	34%	0.34	S	S	*	.	H	α-helix	trans	-65.9	-39.6	175.4	-70.8	175.2	-176.5	0	0	111.7	A32 Q33 L34 R43	A32-E36 PolarHBondContact O-N 2.79Å; A32-E36 VanDerWaalsContact O-N 3.12Å; Q33-E36 WeakPolarHBondContact O-CB 3.27Å; Q33-E36 PolarHBondContact O-N 3.21Å; Q33-E36 VanDerWaalsContact O-N 3.15Å; L34-E36 VanDerWaalsContact C-N 3.32Å; L34-E36 PolarHBondContact O-N 3.32Å; E36-R43 PolarHBondContact O-NH2 3.5Å
37	L	91.8	Very high	91.3	Very high	40 Å²	40	76.9 Å²	76.9	21%	0.209	38%	0.379	C	S	.	.	H	α-helix	trans	-66.4	-40.6	174.7	-62.2	177	0	0	0	111.4	Y18 R19 V21 L26 L29 Q33 L34	Y18-L37 HydrophobicContact CE1-CB 4.32Å; R19-L37 WeakPolarHBondContact CD-O 3.44Å; R19-L37 PolarHBondContact NE-O 3.34Å; R19-L37 PolarHBondContact NH1-O 2.79Å; V21-L37 HydrophobicContact CB-CD1 4.38Å; V21-L37 HydrophobicContact CG2-CD1 3.76Å; V21-L37 HydrophobicContact CG2-CD2 4.32Å; L26-L37 HydrophobicContact CD1-CD1 4.1Å; L29-L37 HydrophobicContact CD1-CD1 3.37Å; Q33-L37 PolarHBondContact O-N 3.17Å; L34-L37 PolarHBondContact O-N 3.2Å
38	M	90.7	Very high	91.4	Very high	0 Å²	0	81.6 Å²	81.6	0%	0	39%	0.39	C	S	.	.	S	Bend	trans	-67.5	163.2	-175.7	-72.3	-177.8	176.4	0	0	114.7	Y18 L34 G35 A42 R43 L46 I85 L87 V113	Y18-M38 HydrophobicContact CE1-CG 4.46Å; L34-M38 HydrophobicContact CD1-CE 3.87Å; L34-M38 HydrophobicContact CD2-CE 3.83Å; L34-M38 HydrophobicContact CG-CE 3.69Å; L34-M38 HydrophobicContact CG-SD 4.37Å; L34-M38 WeakPolarHBondContact O-CG 3.47Å; L34-M38 PolarHBondContact O-N 3.4Å; L34-M38 VanDerWaalsContact O-N 3.07Å; G35-M38 PolarHBondContact O-N 3.04Å; M38-A42 HydrophobicContact CB-CB 3.83Å; M38-A42 HydrophobicContact CG-CB 4.38Å; M38-A42 HydrophobicContact SD-CB 3.93Å; M38-R43 PolarHBondContact O-NH2 3Å; M38-L46 HydrophobicContact SD-CD1 3.77Å; M38-I85 HydrophobicContact CE-CG2 4.21Å; M38-I85 HydrophobicContact SD-CG2 4.13Å; M38-L87 HydrophobicContact CE-CD2 4.21Å; M38-V113 HydrophobicContact CE-CG1 4.3Å
39	H	93.3	Very high	91.3	Very high	62 Å²	62	76.6 Å²	76.6	29%	0.287	37%	0.371	S	S	.	.			trans	-64.3	159.5	174.4	75.4	102.2	0	0	0	112.4	R41 A42 R43 G114	H39-R41 VanDerWaalsContact C-N 3.29Å; H39-R41 PolarHBondContact ND1-N 3.45Å; H39-R41 PolarHBondContact O-N 3.15Å; H39-R41 VanDerWaalsContact O-N 3.11Å; H39-A42 VanDerWaalsContact CD2-CB 3.45Å; H39-A42 WeakPolarHBondContact CD2-CB 3.31Å; H39-A42 PolarHBondContact CE1-N 3.39Å; H39-A42 VanDerWaalsContact NE2-CB 3.31Å; H39-A42 WeakPolarHBondContact NE2-CB 3.45Å; H39-A42 PolarHBondContact O-N 2.91Å; H39-R43 PolarHBondContact O-N 2.92Å; H39-G114 PolarHBondContact NE2-O 3.07Å
40	A	94.5	Very high	91.3	Very high	79 Å²	79	75.8 Å²	75.8	65%	0.653	37%	0.367	S	S	*	.	H	α-helix	trans	-53.5	-39.9	-170.4	0	0	0	0	0	114.5	R44	A40-R44 WeakPolarHBondContact O-CB 3.37Å; A40-R44 PolarHBondContact O-N 3.12Å
41	R	94.5	Very high	91.3	Very high	138 Å²	138	79 Å²	79	52%	0.521	37%	0.371	S	S	.	.	H	α-helix	trans	-71	-40.6	179.7	173.9	-170	-179.3	-165.3	4.3	111.9	H39 R44 R45 Y116	H39-R41 VanDerWaalsContact C-N 3.29Å; H39-R41 PolarHBondContact ND1-N 3.45Å; H39-R41 PolarHBondContact O-N 3.15Å; H39-R41 VanDerWaalsContact O-N 3.11Å; R41-R44 PolarHBondContact O-N 3.12Å; R41-R45 PolarHBondContact O-N 3.49Å; R41-R45 VanDerWaalsContact O-N 3.09Å; R41-Y116 HydrophobicContact CG-CE2 4.06Å; R41-Y116 WeakPolarHBondContact CG-OH 3.44Å; R41-Y116 PolarHBondContact O-OH 3.47Å
42	A	93.4	Very high	91.7	Very high	0 Å²	0	85.3 Å²	85.3	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-66.1	-44.8	174	0	0	0	0	0	111.9	M38 H39 R44 R45 L46 I85	M38-A42 HydrophobicContact CB-CB 3.83Å; M38-A42 HydrophobicContact CG-CB 4.38Å; M38-A42 HydrophobicContact SD-CB 3.93Å; H39-A42 VanDerWaalsContact CD2-CB 3.45Å; H39-A42 WeakPolarHBondContact CD2-CB 3.31Å; H39-A42 PolarHBondContact CE1-N 3.39Å; H39-A42 VanDerWaalsContact NE2-CB 3.31Å; H39-A42 WeakPolarHBondContact NE2-CB 3.45Å; H39-A42 PolarHBondContact O-N 2.91Å; A42-R44 VanDerWaalsContact C-N 3.33Å; A42-R44 PolarHBondContact O-N 2.86Å; A42-R45 WeakPolarHBondContact O-CB 3.16Å; A42-R45 PolarHBondContact O-N 3.08Å; A42-R45 VanDerWaalsContact O-N 3.07Å; A42-L46 PolarHBondContact O-N 3.49Å; A42-I85 HydrophobicContact CB-CD1 3.74Å; A42-I85 HydrophobicContact CB-CG1 4.43Å; A42-I85 HydrophobicContact CB-CG2 4.44Å
43	R	93.6	Very high	92	Very high	114 Å²	114	86.7 Å²	86.7	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-54.5	-47.6	172.7	-171.9	-178.4	-52.5	168.7	2.8	112	G35 E36 M38 H39 R45 L46 K47	G35-R43 VanDerWaalsContact O-CB 3.26Å; G35-R43 WeakPolarHBondContact O-CB 3.26Å; G35-R43 WeakPolarHBondContact O-CG 3.45Å; G35-R43 PolarHBondContact O-NE 3.25Å; E36-R43 PolarHBondContact O-NH2 3.5Å; M38-R43 PolarHBondContact O-NH2 3Å; H39-R43 PolarHBondContact O-N 2.92Å; R43-R45 VanDerWaalsContact C-N 3.29Å; R43-R45 PolarHBondContact O-N 3.44Å; R43-L46 PolarHBondContact O-N 3.18Å; R43-K47 WeakPolarHBondContact O-CB 3.49Å; R43-K47 PolarHBondContact O-N 2.78Å
44	R	93.4	Very high	92.1	Very high	137 Å²	137	82 Å²	82	52%	0.517	36%	0.36	S	S	.	.	H	α-helix	trans	-59.6	-39.8	177.1	-169	-173.9	85.1	-147.9	8.3	111.9	A40 R41 A42 R48	A40-R44 WeakPolarHBondContact O-CB 3.37Å; A40-R44 PolarHBondContact O-N 3.12Å; R41-R44 PolarHBondContact O-N 3.12Å; A42-R44 VanDerWaalsContact C-N 3.33Å; A42-R44 PolarHBondContact O-N 2.86Å; R44-R48 WeakPolarHBondContact O-CB 3.45Å; R44-R48 WeakPolarHBondContact O-CG 3.33Å; R44-R48 PolarHBondContact O-N 3.06Å
45	R	92.5	Very high	92.3	Very high	48 Å²	48	87.2 Å²	87.2	18%	0.181	38%	0.383	C	S	.	.	H	α-helix	trans	-66.5	-44.5	179	179.1	54.9	166.2	153.7	-16.5	111.6	R41 A42 R43 R48 G49 H54 D83 I85	R41-R45 PolarHBondContact O-N 3.49Å; R41-R45 VanDerWaalsContact O-N 3.09Å; A42-R45 WeakPolarHBondContact O-CB 3.16Å; A42-R45 PolarHBondContact O-N 3.08Å; A42-R45 VanDerWaalsContact O-N 3.07Å; R43-R45 VanDerWaalsContact C-N 3.29Å; R43-R45 PolarHBondContact O-N 3.44Å; R45-R48 PolarHBondContact O-N 2.99Å; R45-G49 PolarHBondContact NH1-O 2.92Å; R45-G49 PolarHBondContact O-N 3.04Å; R45-G49 VanDerWaalsContact O-N 3.16Å; R45-H54 PolarHBondContact NH2-CE1 3.45Å; R45-H54 PolarHBondContact NH2-NE2 3.3Å; R45-D83 IonicContact CZ-OD2 2.79Å; R45-D83 IonicContact NH2-OD2 2.83Å; R45-D83 PolarHBondContact NH2-OD2 2.76Å; R45-I85 HydrophobicContact CB-CD1 3.59Å; R45-I85 HydrophobicContact CG-CD1 3.58Å; R45-I85 HydrophobicContact CG-CG1 4.42Å
46	L	90.9	Very high	92.5	Very high	27 Å²	27	89.5 Å²	89.5	14%	0.141	40%	0.401	C	S	.	.	H	α-helix	trans	-64	-45.1	175.7	-69	177	0	0	0	111.3	M38 A42 R43 R48 G49 L87	M38-L46 HydrophobicContact SD-CD1 3.77Å; A42-L46 PolarHBondContact O-N 3.49Å; R43-L46 PolarHBondContact O-N 3.18Å; L46-R48 VanDerWaalsContact C-N 3.33Å; L46-R48 PolarHBondContact O-N 3.19Å; L46-G49 WeakPolarHBondContact O-CA 3.32Å; L46-G49 PolarHBondContact O-N 3.2Å; L46-L87 HydrophobicContact CD2-CD2 4.27Å
47	K	91.1	Very high	92.7	Very high	193 Å²	193	83.3 Å²	83.3	84%	0.839	37%	0.372	S	S	*	.	H	α-helix	trans	-61.1	-37.4	176.7	-173.9	172.9	-178.2	174.7	0	113.2	R43 G49	R43-K47 WeakPolarHBondContact O-CB 3.49Å; R43-K47 PolarHBondContact O-N 2.78Å; K47-G49 PolarHBondContact O-N 3.06Å
48	R	91.1	Very high	92.8	Very high	193 Å²	193	81.8 Å²	81.8	73%	0.728	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-12	174.6	-73.1	-174.8	179.8	-162.8	-0.3	113.4	R44 R45 L46	R44-R48 WeakPolarHBondContact O-CB 3.45Å; R44-R48 WeakPolarHBondContact O-CG 3.33Å; R44-R48 PolarHBondContact O-N 3.06Å; R45-R48 PolarHBondContact O-N 2.99Å; L46-R48 VanDerWaalsContact C-N 3.33Å; L46-R48 PolarHBondContact O-N 3.19Å
49	G	87.9	Confident	93	Very high	31 Å²	31	89.6 Å²	89.6	32%	0.32	40%	0.398	S	S	.	.			trans	86.7	152.5	-178.5	0	0	0	0	0	114.6	R45 L46 K47	R45-G49 PolarHBondContact NH1-O 2.92Å; R45-G49 PolarHBondContact O-N 3.04Å; R45-G49 VanDerWaalsContact O-N 3.16Å; L46-G49 WeakPolarHBondContact O-CA 3.32Å; L46-G49 PolarHBondContact O-N 3.2Å; K47-G49 PolarHBondContact O-N 3.06Å
50	L	89.2	Confident	93.1	Very high	28 Å²	28	92.7 Å²	92.7	15%	0.147	41%	0.407	C	S	.	.			trans	-84.6	142.2	171.4	-63.9	179.2	0	0	0	109.6	H54 F55 L58 M84 L87	L50-H54 HydrophobicContact CB-CB 3.93Å; L50-H54 HydrophobicContact CD2-CB 4.4Å; L50-F55 HydrophobicContact CB-CD2 4.42Å; L50-F55 HydrophobicContact CB-CE1 4.48Å; L50-F55 HydrophobicContact CB-CE2 3.91Å; L50-F55 HydrophobicContact CB-CZ 3.94Å; L50-F55 VanDerWaalsContact O-CE2 3.23Å; L50-F55 WeakPolarHBondContact O-CE2 3.31Å; L50-L58 HydrophobicContact CD1-CD1 4.25Å; L50-M84 HydrophobicContact CD1-CE 4.23Å; L50-M84 HydrophobicContact CD2-SD 4.21Å; L50-L87 HydrophobicContact CD1-CD1 4.43Å
51	R	90.6	Very high	93.1	Very high	166 Å²	166	89.1 Å²	89.1	63%	0.626	38%	0.377	S	S	*	.			trans	-79.3	163.9	177.8	-61.8	178.2	75.8	-179.7	2	109.6	K53 H54 F55	R51-K53 HydrophobicContact CB-CG 4.24Å; R51-K53 PolarHBondContact O-N 3.46Å; R51-H54 PolarHBondContact N-ND1 3.09Å; R51-H54 WeakPolarHBondContact O-CB 3.21Å; R51-H54 PolarHBondContact O-N 2.99Å; R51-F55 PolarHBondContact O-N 2.99Å
52	R	93.8	Very high	93	Very high	229 Å²	229	89.8 Å²	89.8	86%	0.864	38%	0.38	S	S	*	.	H	α-helix	trans	-47.4	-40.4	176.8	-174.3	178.2	175.5	-173.2	-1.1	113.8	H54 F55 A56	R52-H54 VanDerWaalsContact C-N 3.3Å; R52-H54 PolarHBondContact O-N 3.47Å; R52-F55 PolarHBondContact O-N 3.36Å; R52-A56 PolarHBondContact O-N 3Å
53	K	94.7	Very high	93.1	Very high	93 Å²	93	96.2 Å²	96.2	40%	0.404	41%	0.408	S	S	.	.	H	α-helix	trans	-61.2	-34.3	178.2	67.8	-173.1	-168.8	159.2	0	113.5	R51 F57 L81	R51-K53 HydrophobicContact CB-CG 4.24Å; R51-K53 PolarHBondContact O-N 3.46Å; K53-F57 PolarHBondContact O-N 2.73Å; K53-F57 VanDerWaalsContact O-N 3.11Å; K53-L81 HydrophobicContact CB-CD1 4.4Å; K53-L81 HydrophobicContact CB-CD2 4.5Å; K53-L81 HydrophobicContact CD-CD2 3.56Å; K53-L81 VanDerWaalsContact CE-CD2 3.48Å; K53-L81 HydrophobicContact CG-CD1 4.19Å; K53-L81 HydrophobicContact CG-CD2 3.9Å
54	H	94.5	Very high	93	Very high	0 Å²	0	91.4 Å²	91.4	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-71.8	-43.5	177.6	-60.7	91.6	0	0	0	110.8	R45 L50 R51 R52 A56 F57 L58 D83 M84	R45-H54 PolarHBondContact NH2-CE1 3.45Å; R45-H54 PolarHBondContact NH2-NE2 3.3Å; L50-H54 HydrophobicContact CB-CB 3.93Å; L50-H54 HydrophobicContact CD2-CB 4.4Å; R51-H54 PolarHBondContact N-ND1 3.09Å; R51-H54 WeakPolarHBondContact O-CB 3.21Å; R51-H54 PolarHBondContact O-N 2.99Å; R52-H54 VanDerWaalsContact C-N 3.3Å; R52-H54 PolarHBondContact O-N 3.47Å; H54-A56 PolarHBondContact O-N 3.11Å; H54-F57 WeakPolarHBondContact O-CB 3.43Å; H54-F57 PolarHBondContact O-N 2.93Å; H54-L58 WeakPolarHBondContact O-CG 3.36Å; H54-L58 PolarHBondContact O-N 3.48Å; H54-D83 IonicContact CE1-OD2 3.2Å; H54-D83 PolarHBondContact CE1-OD2 3.01Å; H54-D83 IonicContact NE2-OD1 3.27Å; H54-D83 PolarHBondContact NE2-OD1 3.41Å; H54-D83 IonicContact NE2-OD2 2.87Å; H54-D83 PolarHBondContact NE2-OD2 3.33Å; H54-M84 HydrophobicContact CB-SD 4.03Å; H54-M84 VanDerWaalsContact CD2-SD 3.5Å
55	F	94.1	Very high	92.8	Very high	117 Å²	117	89.9 Å²	89.9	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-62.7	-40.3	173.7	-69	-67.2	0	0	0	112.7	L50 R51 R52 F57 L58 K59	L50-F55 HydrophobicContact CB-CD2 4.42Å; L50-F55 HydrophobicContact CB-CE1 4.48Å; L50-F55 HydrophobicContact CB-CE2 3.91Å; L50-F55 HydrophobicContact CB-CZ 3.94Å; L50-F55 VanDerWaalsContact O-CE2 3.23Å; L50-F55 WeakPolarHBondContact O-CE2 3.31Å; R51-F55 PolarHBondContact O-N 2.99Å; R52-F55 PolarHBondContact O-N 3.36Å; F55-F57 VanDerWaalsContact C-N 3.29Å; F55-F57 PolarHBondContact O-N 3.38Å; F55-L58 HydrophobicContact CD1-CD1 4.48Å; F55-L58 PolarHBondContact O-N 3.18Å; F55-K59 PolarHBondContact O-N 3.01Å
56	A	95.6	Very high	92.6	Very high	51 Å²	51	96.3 Å²	96.3	42%	0.421	42%	0.419	S	S	.	.	H	α-helix	trans	-61.4	-38.9	174.8	0	0	0	0	0	111.9	R52 H54 K59 R60	R52-A56 PolarHBondContact O-N 3Å; H54-A56 PolarHBondContact O-N 3.11Å; A56-K59 PolarHBondContact O-N 3.1Å; A56-R60 WeakPolarHBondContact O-CG 3.46Å; A56-R60 PolarHBondContact O-N 3.07Å; A56-R60 VanDerWaalsContact O-N 3.13Å
57	F	95.6	Very high	92.6	Very high	4 Å²	4	100.3 Å²	100.3	2%	0.018	44%	0.44	C	S	.	.	H	α-helix	trans	-66	-44.5	174.7	175.7	-118.2	0	0	0	112.3	K53 H54 F55 K59 R60 L61 I77 T79 L81 M84 M90 V95 L117	K53-F57 PolarHBondContact O-N 2.73Å; K53-F57 VanDerWaalsContact O-N 3.11Å; H54-F57 WeakPolarHBondContact O-CB 3.43Å; H54-F57 PolarHBondContact O-N 2.93Å; F55-F57 VanDerWaalsContact C-N 3.29Å; F55-F57 PolarHBondContact O-N 3.38Å; F57-K59 VanDerWaalsContact C-N 3.33Å; F57-K59 PolarHBondContact O-N 2.87Å; F57-R60 WeakPolarHBondContact O-CB 3.4Å; F57-R60 PolarHBondContact O-N 2.89Å; F57-L61 HydrophobicContact CD1-CD1 3.94Å; F57-L61 HydrophobicContact CD2-CD1 4.42Å; F57-L61 HydrophobicContact CE1-CD1 3.53Å; F57-L61 HydrophobicContact CE1-CG 4.49Å; F57-L61 HydrophobicContact CE2-CD1 4.02Å; F57-L61 HydrophobicContact CE2-CD2 4.33Å; F57-L61 HydrophobicContact CE2-CG 4.14Å; F57-L61 HydrophobicContact CG-CD1 4.38Å; F57-L61 HydrophobicContact CZ-CD1 3.56Å; F57-L61 HydrophobicContact CZ-CD2 4.27Å; F57-L61 HydrophobicContact CZ-CG 4.13Å; F57-L61 WeakPolarHBondContact O-CG 3.41Å; F57-L61 PolarHBondContact O-N 3.07Å; F57-I77 HydrophobicContact CD2-CG2 3.91Å; F57-I77 HydrophobicContact CE2-CB 4.46Å; F57-I77 HydrophobicContact CE2-CG2 3.6Å; F57-T79 HydrophobicContact CE2-CG2 3.84Å; F57-T79 HydrophobicContact CZ-CG2 3.82Å; F57-L81 HydrophobicContact CB-CD1 3.96Å; F57-L81 HydrophobicContact CG-CD1 4.38Å; F57-M84 HydrophobicContact CD1-CG 4.27Å; F57-M84 HydrophobicContact CE1-CG 4.27Å; F57-M90 HydrophobicContact CD1-CE 3.88Å; F57-M90 HydrophobicContact CE1-CE 3.3Å; F57-M90 HydrophobicContact CZ-CE 4.2Å; F57-V95 HydrophobicContact CE2-CG1 4.29Å; F57-V95 HydrophobicContact CZ-CG1 3.72Å; F57-V95 HydrophobicContact CZ-CG2 4.15Å; F57-L117 HydrophobicContact CE1-CD1 3.82Å; F57-L117 HydrophobicContact CZ-CD1 4.06Å
58	L	94.5	Very high	92.3	Very high	7 Å²	7	92.3 Å²	92.3	4%	0.037	41%	0.41	C	S	.	.	H	α-helix	trans	-58.8	-43.1	173.6	-69.3	175.6	0	0	0	112.1	L50 H54 F55 R60 L61 R62 M84 L87 E89 M90	L50-L58 HydrophobicContact CD1-CD1 4.25Å; H54-L58 WeakPolarHBondContact O-CG 3.36Å; H54-L58 PolarHBondContact O-N 3.48Å; F55-L58 HydrophobicContact CD1-CD1 4.48Å; F55-L58 PolarHBondContact O-N 3.18Å; L58-R60 VanDerWaalsContact C-N 3.32Å; L58-R60 PolarHBondContact O-N 2.94Å; L58-L61 HydrophobicContact CD2-CD1 4.47Å; L58-L61 PolarHBondContact O-N 3.15Å; L58-R62 WeakPolarHBondContact O-CG 3.47Å; L58-R62 PolarHBondContact O-N 2.69Å; L58-M84 HydrophobicContact CD1-CE 3.99Å; L58-M84 HydrophobicContact CD2-CE 3.64Å; L58-M84 HydrophobicContact CG-CE 3.88Å; L58-L87 HydrophobicContact CD1-CD1 4.17Å; L58-L87 HydrophobicContact CD2-CD1 4.4Å; L58-E89 WeakPolarHBondContact CD1-OE1 3.33Å; L58-E89 VanDerWaalsContact CD2-OE1 3.25Å; L58-E89 WeakPolarHBondContact CD2-OE1 3.44Å; L58-M90 HydrophobicContact CD2-CE 3.74Å; L58-M90 HydrophobicContact CD2-CG 3.99Å; L58-M90 HydrophobicContact CD2-SD 4.01Å
59	K	95.1	Very high	91.7	Very high	165 Å²	165	84.9 Å²	84.9	72%	0.717	39%	0.393	S	S	*	.	H	α-helix	trans	-59.9	-41.4	176.2	-172.6	177.3	-178.4	177.6	0	112.1	F55 A56 F57 K63	F55-K59 PolarHBondContact O-N 3.01Å; A56-K59 PolarHBondContact O-N 3.1Å; F57-K59 VanDerWaalsContact C-N 3.33Å; F57-K59 PolarHBondContact O-N 2.87Å; K59-K63 PolarHBondContact O-N 2.86Å
60	R	95.3	Very high	91.1	Very high	127 Å²	127	88.7 Å²	88.7	48%	0.479	42%	0.422	S	S	.	.	H	α-helix	trans	-62.8	-44.2	175.4	-70.8	171	67.2	-155.1	-0.4	111.1	A56 F57 L58 K63 A64 I77 K78	A56-R60 WeakPolarHBondContact O-CG 3.46Å; A56-R60 PolarHBondContact O-N 3.07Å; A56-R60 VanDerWaalsContact O-N 3.13Å; F57-R60 WeakPolarHBondContact O-CB 3.4Å; F57-R60 PolarHBondContact O-N 2.89Å; L58-R60 VanDerWaalsContact C-N 3.32Å; L58-R60 PolarHBondContact O-N 2.94Å; R60-K63 PolarHBondContact O-N 2.9Å; R60-A64 PolarHBondContact O-N 3.2Å; R60-I77 HydrophobicContact CB-CD1 4.09Å; R60-I77 HydrophobicContact CB-CG2 4.3Å; R60-I77 VanDerWaalsContact O-CD1 3.24Å; R60-I77 WeakPolarHBondContact O-CD1 3.34Å; R60-K78 PolarHBondContact NH1-O 2.97Å
61	L	93.9	Very high	90.5	Very high	3 Å²	3	95.7 Å²	95.7	2%	0.016	46%	0.459	C	S	.	.	H	α-helix	trans	-62.4	-45.7	177.9	-70.7	166.4	0	0	0	112.2	F57 L58 K63 A64 K65 I77 M90 N93 V95	F57-L61 HydrophobicContact CD1-CD1 3.94Å; F57-L61 HydrophobicContact CD2-CD1 4.42Å; F57-L61 HydrophobicContact CE1-CD1 3.53Å; F57-L61 HydrophobicContact CE1-CG 4.49Å; F57-L61 HydrophobicContact CE2-CD1 4.02Å; F57-L61 HydrophobicContact CE2-CD2 4.33Å; F57-L61 HydrophobicContact CE2-CG 4.14Å; F57-L61 HydrophobicContact CG-CD1 4.38Å; F57-L61 HydrophobicContact CZ-CD1 3.56Å; F57-L61 HydrophobicContact CZ-CD2 4.27Å; F57-L61 HydrophobicContact CZ-CG 4.13Å; F57-L61 WeakPolarHBondContact O-CG 3.41Å; F57-L61 PolarHBondContact O-N 3.07Å; L58-L61 HydrophobicContact CD2-CD1 4.47Å; L58-L61 PolarHBondContact O-N 3.15Å; L61-K63 VanDerWaalsContact C-N 3.28Å; L61-K63 PolarHBondContact O-N 2.85Å; L61-A64 PolarHBondContact O-N 3.3Å; L61-K65 WeakPolarHBondContact O-CB 3.44Å; L61-K65 PolarHBondContact O-N 2.96Å; L61-I77 VanDerWaalsContact CA-CD1 3.43Å; L61-I77 HydrophobicContact CB-CD1 4.28Å; L61-I77 HydrophobicContact CD2-CB 4.16Å; L61-I77 HydrophobicContact CD2-CD1 3.6Å; L61-I77 HydrophobicContact CD2-CG1 4.41Å; L61-I77 HydrophobicContact CG-CD1 3.97Å; L61-M90 HydrophobicContact CD1-CE 3.27Å; L61-M90 HydrophobicContact CD1-CG 4.21Å; L61-N93 HydrophobicContact CD2-CB 3.64Å; L61-N93 PolarHBondContact O-OD1 2.84Å; L61-V95 HydrophobicContact CD2-CG2 3.87Å
62	R	93	Very high	90.2	Very high	153 Å²	153	94.6 Å²	94.6	58%	0.577	46%	0.461	S	S	*	.	H	α-helix	trans	-58.5	-41.2	175.1	-69.2	176.6	-173.7	177.1	1.5	111.8	L58 K66 E89	L58-R62 WeakPolarHBondContact O-CG 3.47Å; L58-R62 PolarHBondContact O-N 2.69Å; R62-K66 WeakPolarHBondContact O-CB 3.3Å; R62-K66 PolarHBondContact O-N 2.97Å; R62-K66 VanDerWaalsContact O-N 3.07Å; R62-E89 IonicContact CZ-OE2 2.69Å; R62-E89 IonicContact NE-OE2 3.88Å; R62-E89 PolarHBondContact NE-OE2 2.89Å; R62-E89 IonicContact NH2-OE1 3.19Å; R62-E89 IonicContact NH2-OE2 2.86Å; R62-E89 PolarHBondContact NH2-OE2 2.93Å
63	K	93.7	Very high	89.8	Confident	135 Å²	135	90.5 Å²	90.5	59%	0.587	45%	0.449	S	S	*	.	H	α-helix	trans	-63.2	-51.3	175.1	-176.5	176.9	178.4	-176.4	0	111.4	K59 R60 L61 K65 K66 D67	K59-K63 PolarHBondContact O-N 2.86Å; R60-K63 PolarHBondContact O-N 2.9Å; L61-K63 VanDerWaalsContact C-N 3.28Å; L61-K63 PolarHBondContact O-N 2.85Å; K63-K65 VanDerWaalsContact C-N 3.29Å; K63-K65 PolarHBondContact O-N 3.11Å; K63-K66 PolarHBondContact O-N 3.16Å; K63-D67 VanDerWaalsContact CE-OD2 3.23Å; K63-D67 WeakPolarHBondContact CE-OD2 3.31Å; K63-D67 WeakPolarHBondContact CG-OD2 3.43Å; K63-D67 VanDerWaalsContact O-CG 3.24Å; K63-D67 PolarHBondContact O-N 3.39Å
64	A	91.8	Very high	89.6	Confident	13 Å²	13	86.7 Å²	86.7	11%	0.107	43%	0.434	C	S	.	.	H	α-helix	trans	-61.4	-36.1	-179.7	0	0	0	0	0	113.1	R60 L61 A68 P74 I77	R60-A64 PolarHBondContact O-N 3.2Å; L61-A64 PolarHBondContact O-N 3.3Å; A64-A68 WeakPolarHBondContact O-CB 3.25Å; A64-A68 PolarHBondContact O-N 2.98Å; A64-P74 HydrophobicContact CB-CB 4.25Å; A64-P74 WeakPolarHBondContact O-CB 3.48Å; A64-I77 HydrophobicContact CB-CD1 3.45Å; A64-I77 VanDerWaalsContact CB-CD1 3.45Å; A64-I77 HydrophobicContact CB-CG1 4.17Å
65	K	88.9	Confident	89.4	Confident	105 Å²	105	90.2 Å²	90.2	46%	0.457	46%	0.463	S	S	.	.	H	α-helix	trans	-68	-34.9	174.4	-170.4	168.7	-179.5	169.8	0	112.7	L61 K63 I91	L61-K65 WeakPolarHBondContact O-CB 3.44Å; L61-K65 PolarHBondContact O-N 2.96Å; K63-K65 VanDerWaalsContact C-N 3.29Å; K63-K65 PolarHBondContact O-N 3.11Å; K65-I91 PolarHBondContact NZ-O 3.47Å
66	K	89.5	Confident	89.5	Confident	182 Å²	182	87.9 Å²	87.9	79%	0.791	46%	0.458	S	S	*	.	H	α-helix	trans	-72.6	-38.3	176	-175.4	-178.7	177.7	-177.5	0	112.4	R62 K63 A68	R62-K66 WeakPolarHBondContact O-CB 3.3Å; R62-K66 PolarHBondContact O-N 2.97Å; R62-K66 VanDerWaalsContact O-N 3.07Å; K63-K66 PolarHBondContact O-N 3.16Å; K66-A68 VanDerWaalsContact C-N 3.27Å
67	D	90	Very high	89.4	Confident	111 Å²	111	86 Å²	86	59%	0.594	44%	0.441	S	S	*	.	H	α-helix	trans	-75.7	-18.2	-178.5	-63.6	-14	0	0	0	112	K63	K63-D67 VanDerWaalsContact CE-OD2 3.23Å; K63-D67 WeakPolarHBondContact CE-OD2 3.31Å; K63-D67 WeakPolarHBondContact CG-OD2 3.43Å; K63-D67 VanDerWaalsContact O-CG 3.24Å; K63-D67 PolarHBondContact O-N 3.39Å
68	A	84.6	Confident	89.4	Confident	26 Å²	26	91.8 Å²	91.8	22%	0.215	47%	0.466	C	S	.	.	S	Bend	trans	-76.4	135.7	176	0	0	0	0	0	111.6	A64 K66 P74	A64-A68 WeakPolarHBondContact O-CB 3.25Å; A64-A68 PolarHBondContact O-N 2.98Å; K66-A68 VanDerWaalsContact C-N 3.27Å; A68-P74 HydrophobicContact CB-CB 3.99Å
69	G	79.5	Confident	89.5	Confident	36 Å²	36	91.9 Å²	91.9	37%	0.371	47%	0.467	S	S	.	.			trans	-62.7	160.3	169.4	0	0	0	0	0	112	L71 E72	G69-L71 PolarHBondContact O-N 3.45Å; G69-E72 PolarHBondContact O-N 2.98Å
70	A	74.4	Confident	89.6	Confident	111 Å²	111	90 Å²	90	92%	0.917	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-25	-173	0	0	0	0	0	115
71	L	77.5	Confident	89.6	Confident	175 Å²	175	84.9 Å²	84.9	92%	0.916	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	2.3	178.6	-88.5	78.2	0	0	0	113.3	G69	G69-L71 PolarHBondContact O-N 3.45Å
72	E	84.8	Confident	89.6	Confident	144 Å²	144	88 Å²	88	67%	0.673	45%	0.454	S	S	*	.	S	Bend	trans	-98	144.7	-176.2	-66.4	-172.8	175.8	0	0	111.6	G69	G69-E72 PolarHBondContact O-N 2.98Å
73	K	84.7	Confident	89.7	Confident	143 Å²	143	83.5 Å²	83.5	62%	0.622	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-73.6	132.4	173.7	-64.3	-167.9	179.7	-162.7	0	109.1	E107	K73-E107 IonicContact NZ-OE2 3.56Å; K73-E107 PolarHBondContact NZ-OE2 3.25Å
74	P	90.3	Very high	89.7	Confident	13 Å²	13	77.1 Å²	77.1	8%	0.084	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-63.8	153.7	177.9	26.7	-34	0	0	0	111.5	A64 A68 G92	A64-P74 HydrophobicContact CB-CB 4.25Å; A64-P74 WeakPolarHBondContact O-CB 3.48Å; A68-P74 HydrophobicContact CB-CB 3.99Å; P74-G92 WeakPolarHBondContact CD-O 3.38Å; P74-G92 WeakPolarHBondContact CG-O 3.26Å
75	A	91.5	Very high	89.9	Confident	73 Å²	73	76.5 Å²	76.5	60%	0.603	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-57.5	142.7	178.5	0	0	0	0	0	112.1	I77	A75-I77 PolarHBondContact O-N 3.48Å
76	V	94.3	Very high	90.2	Very high	69 Å²	69	71.5 Å²	71.5	42%	0.418	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-63.8	118.9	-179.3	-175.7	0	0	0	0	110.6	L94 A105	V76-L94 WeakPolarHBondContact CA-O 3.4Å; V76-L94 HydrophobicContact CB-CD2 4.37Å; V76-L94 HydrophobicContact CB-CG 4.42Å; V76-L94 HydrophobicContact CG2-CD2 3.32Å; V76-L94 HydrophobicContact CG2-CG 3.78Å; V76-A105 HydrophobicContact CG1-CB 4.4Å
77	I	95	Very high	90.3	Very high	12 Å²	12	63.1 Å²	63.1	6%	0.062	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	110.9	174.1	-66.6	168.9	0	0	0	110.1	F57 R60 L61 A64 A75 L94 G96	F57-I77 HydrophobicContact CD2-CG2 3.91Å; F57-I77 HydrophobicContact CE2-CB 4.46Å; F57-I77 HydrophobicContact CE2-CG2 3.6Å; R60-I77 HydrophobicContact CB-CD1 4.09Å; R60-I77 HydrophobicContact CB-CG2 4.3Å; R60-I77 VanDerWaalsContact O-CD1 3.24Å; R60-I77 WeakPolarHBondContact O-CD1 3.34Å; L61-I77 VanDerWaalsContact CA-CD1 3.43Å; L61-I77 HydrophobicContact CB-CD1 4.28Å; L61-I77 HydrophobicContact CD2-CB 4.16Å; L61-I77 HydrophobicContact CD2-CD1 3.6Å; L61-I77 HydrophobicContact CD2-CG1 4.41Å; L61-I77 HydrophobicContact CG-CD1 3.97Å; A64-I77 HydrophobicContact CB-CD1 3.45Å; A64-I77 VanDerWaalsContact CB-CD1 3.45Å; A64-I77 HydrophobicContact CB-CG1 4.17Å; A75-I77 PolarHBondContact O-N 3.48Å; I77-L94 PolarHBondContact N-O 2.98Å; I77-G96 PolarHBondContact O-N 3.27Å
78	K	96	Very high	90.5	Very high	125 Å²	125	58 Å²	58	54%	0.543	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	133.6	175.8	-62.4	179	-175.7	175.7	0	111.5	R60 G96 F103	R60-K78 PolarHBondContact NH1-O 2.97Å; K78-G96 CarbonylContact C-O 3.55Å; K78-G96 WeakPolarHBondContact CA-O 3.47Å; K78-F103 HydrophobicContact CB-CD1 3.81Å; K78-F103 HydrophobicContact CB-CE1 3.82Å; K78-F103 HydrophobicContact CB-CG 4.28Å; K78-F103 HydrophobicContact CB-CZ 4.33Å; K78-F103 HydrophobicContact CD-CD2 4.07Å; K78-F103 HydrophobicContact CD-CE2 4.33Å; K78-F103 HydrophobicContact CD-CG 4.16Å; K78-F103 HydrophobicContact CG-CB 4.39Å; K78-F103 HydrophobicContact CG-CD1 4.08Å; K78-F103 HydrophobicContact CG-CD2 4.47Å; K78-F103 HydrophobicContact CG-CE1 4.47Å; K78-F103 HydrophobicContact CG-CG 4.06Å
79	T	96.1	Very high	90.8	Very high	8 Å²	8	59.6 Å²	59.6	5%	0.049	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	144.2	178.6	-170.3	0	0	0	0	112.6	F57 L81 V95 G96 H98 L117	F57-T79 HydrophobicContact CE2-CG2 3.84Å; F57-T79 HydrophobicContact CZ-CG2 3.82Å; T79-L81 WeakPolarHBondContact OG1-CB 3.33Å; T79-L81 WeakPolarHBondContact OG1-CG 3.4Å; T79-L81 PolarHBondContact OG1-N 3.38Å; T79-V95 HydrophobicContact CG2-CG1 3.6Å; T79-G96 PolarHBondContact N-O 3.06Å; T79-H98 PolarHBondContact O-N 2.92Å; T79-L117 HydrophobicContact CG2-CD1 4.17Å
80	H	96.1	Very high	91.5	Very high	126 Å²	126	57.9 Å²	57.9	58%	0.583	31%	0.309	S	S	*	.			trans	-95.9	-3.3	167.7	-62.7	92.6	0	0	0	111.9	R82 H98 F103	H80-R82 VanDerWaalsContact C-N 3.28Å; H80-R82 PolarHBondContact O-N 3.41Å; H80-H98 AromaticContact CD2-CD2 3.49Å; H80-H98 PolarHBondContact CD2-CD2 3.25Å; H80-H98 VanDerWaalsContact CD2-CD2 3.49Å; H80-H98 AromaticContact CD2-CG 3.51Å; H80-H98 AromaticContact NE2-CD2 3.87Å; H80-H98 AromaticContact NE2-CG 3.77Å; H80-F103 AromaticContact CE1-CZ 3.56Å; H80-F103 AromaticContact NE2-CZ 3.54Å
81	L	95.2	Very high	92.3	Very high	20 Å²	20	53.7 Å²	53.7	11%	0.105	27%	0.271	C	S	.	.			trans	-78.6	73.3	-174.8	-56.3	-179.5	0	0	0	111.5	K53 F57 T79 D83 M84	K53-L81 HydrophobicContact CB-CD1 4.4Å; K53-L81 HydrophobicContact CB-CD2 4.5Å; K53-L81 HydrophobicContact CD-CD2 3.56Å; K53-L81 VanDerWaalsContact CE-CD2 3.48Å; K53-L81 HydrophobicContact CG-CD1 4.19Å; K53-L81 HydrophobicContact CG-CD2 3.9Å; F57-L81 HydrophobicContact CB-CD1 3.96Å; F57-L81 HydrophobicContact CG-CD1 4.38Å; T79-L81 WeakPolarHBondContact OG1-CB 3.33Å; T79-L81 WeakPolarHBondContact OG1-CG 3.4Å; T79-L81 PolarHBondContact OG1-N 3.38Å; L81-D83 PolarHBondContact O-N 3.48Å; L81-M84 HydrophobicContact CB-CB 4.36Å; L81-M84 PolarHBondContact O-N 3.21Å
82	R	94.8	Very high	92.9	Very high	69 Å²	69	46.9 Å²	46.9	26%	0.26	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16	174.3	-62.4	176.4	64.6	79.6	6.7	113	H80 I97 H98 G118 S121 T123	H80-R82 VanDerWaalsContact C-N 3.28Å; H80-R82 PolarHBondContact O-N 3.41Å; R82-I97 HydrophobicContact CG-CG2 4.24Å; R82-H98 WeakPolarHBondContact CD-O 3.49Å; R82-H98 PolarHBondContact NH1-O 3.49Å; R82-G118 PolarHBondContact NH2-O 3.37Å; R82-G118 PolarHBondContact O-N 3.19Å; R82-S121 VanDerWaalsContact CZ-O 3.31Å; R82-S121 PolarHBondContact NH1-O 3.24Å; R82-S121 PolarHBondContact NH2-O 2.82Å; R82-T123 VanDerWaalsContact NH2-CG2 3.34Å
83	D	94.5	Very high	93.3	Very high	57 Å²	57	40.2 Å²	40.2	31%	0.305	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	1	179	74.1	-57	0	0	0	114.2	R45 H54 L81 Y116	R45-D83 IonicContact CZ-OD2 2.79Å; R45-D83 IonicContact NH2-OD2 2.83Å; R45-D83 PolarHBondContact NH2-OD2 2.76Å; H54-D83 IonicContact CE1-OD2 3.2Å; H54-D83 PolarHBondContact CE1-OD2 3.01Å; H54-D83 IonicContact NE2-OD1 3.27Å; H54-D83 PolarHBondContact NE2-OD1 3.41Å; H54-D83 IonicContact NE2-OD2 2.87Å; H54-D83 PolarHBondContact NE2-OD2 3.33Å; L81-D83 PolarHBondContact O-N 3.48Å; D83-Y116 WeakPolarHBondContact O-CD1 3.34Å; D83-Y116 VanDerWaalsContact O-CE1 3.31Å; D83-Y116 WeakPolarHBondContact O-CE1 3.46Å
84	M	94.9	Very high	93.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.191	C	C	.	.			trans	-76.4	136.1	175.3	-174.6	58.9	-178.3	0	0	110.3	L50 H54 F57 L58 L81 L87 M90 Y116 L117	L50-M84 HydrophobicContact CD1-CE 4.23Å; L50-M84 HydrophobicContact CD2-SD 4.21Å; H54-M84 HydrophobicContact CB-SD 4.03Å; H54-M84 VanDerWaalsContact CD2-SD 3.5Å; F57-M84 HydrophobicContact CD1-CG 4.27Å; F57-M84 HydrophobicContact CE1-CG 4.27Å; L58-M84 HydrophobicContact CD1-CE 3.99Å; L58-M84 HydrophobicContact CD2-CE 3.64Å; L58-M84 HydrophobicContact CG-CE 3.88Å; L81-M84 HydrophobicContact CB-CB 4.36Å; L81-M84 PolarHBondContact O-N 3.21Å; M84-L87 HydrophobicContact CE-CD1 3.89Å; M84-L87 HydrophobicContact CE-CG 4.21Å; M84-M90 HydrophobicContact CE-CE 3.97Å; M84-M90 HydrophobicContact CE-SD 4.08Å; M84-M90 HydrophobicContact CG-CE 4.03Å; M84-Y116 WeakPolarHBondContact O-CA 3.46Å; M84-L117 HydrophobicContact CB-CD1 3.84Å; M84-L117 HydrophobicContact CB-CG 4.2Å; M84-L117 HydrophobicContact CG-CD1 4.26Å; M84-L117 PolarHBondContact O-N 2.88Å
85	I	94.9	Very high	94	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-84.3	138.6	172.7	-61.1	161.8	0	0	0	107.8	M38 A42 R45 L87 Y116	M38-I85 HydrophobicContact CE-CG2 4.21Å; M38-I85 HydrophobicContact SD-CG2 4.13Å; A42-I85 HydrophobicContact CB-CD1 3.74Å; A42-I85 HydrophobicContact CB-CG1 4.43Å; A42-I85 HydrophobicContact CB-CG2 4.44Å; R45-I85 HydrophobicContact CB-CD1 3.59Å; R45-I85 HydrophobicContact CG-CD1 3.58Å; R45-I85 HydrophobicContact CG-CG1 4.42Å; I85-L87 PolarHBondContact O-N 3.4Å; I85-L87 VanDerWaalsContact O-N 3.15Å; I85-Y116 HydrophobicContact CD1-CE1 4.11Å; I85-Y116 HydrophobicContact CG1-CD1 3.87Å; I85-Y116 HydrophobicContact CG1-CE1 3.41Å; I85-Y116 VanDerWaalsContact CG1-CE1 3.41Å; I85-Y116 HydrophobicContact CG1-CE2 4.41Å
86	V	95	Very high	94.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.			trans	-68.9	110.1	171.8	179.4	0	0	0	0	108.8	I108 M112 V113 G114 H115 L117 F120	V86-I108 HydrophobicContact CG1-CG2 3.5Å; V86-I108 VanDerWaalsContact CG1-CG2 3.5Å; V86-I108 HydrophobicContact CG2-CD1 4.47Å; V86-M112 WeakPolarHBondContact CB-O 3.33Å; V86-M112 HydrophobicContact CG1-CB 4.33Å; V86-V113 HydrophobicContact CG1-CG2 4.47Å; V86-G114 PolarHBondContact O-N 2.89Å; V86-H115 PolarHBondContact N-O 3.3Å; V86-L117 HydrophobicContact CG2-CD2 3.74Å; V86-L117 HydrophobicContact CG2-CG 4.48Å; V86-F120 HydrophobicContact CG2-CE2 4.03Å
87	L	93	Very high	94.4	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.026	14%	0.138	C	C	.	.			trans	-89.8	153.3	174.5	-60.9	178.9	0	0	0	110.6	L34 M38 L46 L50 L58 M84 I85 E89 M90	L34-L87 HydrophobicContact CD2-CD2 4Å; M38-L87 HydrophobicContact CE-CD2 4.21Å; L46-L87 HydrophobicContact CD2-CD2 4.27Å; L50-L87 HydrophobicContact CD1-CD1 4.43Å; L58-L87 HydrophobicContact CD1-CD1 4.17Å; L58-L87 HydrophobicContact CD2-CD1 4.4Å; M84-L87 HydrophobicContact CE-CD1 3.89Å; M84-L87 HydrophobicContact CE-CG 4.21Å; I85-L87 PolarHBondContact O-N 3.4Å; I85-L87 VanDerWaalsContact O-N 3.15Å; L87-E89 HydrophobicContact CB-CG 4.07Å; L87-E89 PolarHBondContact O-N 2.95Å; L87-M90 HydrophobicContact CB-CG 4.16Å; L87-M90 HydrophobicContact CB-SD 4.01Å; L87-M90 HydrophobicContact CG-SD 4.37Å; L87-M90 PolarHBondContact N-SD 2.98Å; L87-M90 VanDerWaalsContact O-CB 3.31Å; L87-M90 WeakPolarHBondContact O-CB 3.2Å; L87-M90 PolarHBondContact O-N 3.24Å
88	P	93	Very high	94.6	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.032	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-52.9	-38.2	178	-27.2	34.9	0	0	0	113.7	L26 L27 L34 M90 I91 V113	L26-P88 HydrophobicContact CD2-CB 4.08Å; L26-P88 HydrophobicContact CD2-CG 3.71Å; L26-P88 HydrophobicContact CG-CB 4.06Å; L26-P88 HydrophobicContact CG-CG 3.61Å; L27-P88 HydrophobicContact CD2-CB 3.87Å; L34-P88 HydrophobicContact CD1-CG 3.83Å; L34-P88 HydrophobicContact CD2-CG 4.07Å; P88-M90 PolarHBondContact O-N 2.94Å; P88-I91 WeakPolarHBondContact O-CB 3.35Å; P88-I91 VanDerWaalsContact O-CD1 3.31Å; P88-I91 WeakPolarHBondContact O-CD1 3.3Å; P88-I91 WeakPolarHBondContact O-CG1 3.31Å; P88-I91 PolarHBondContact O-N 2.83Å; P88-V113 HydrophobicContact CG-CG1 4.15Å
89	E	91.8	Very high	94.5	Very high	58 Å²	58	24.5 Å²	24.5	27%	0.271	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-61.1	-20.3	178.2	65.4	173.1	165.2	0	0	114.2	L58 R62 L87 I91	L58-E89 WeakPolarHBondContact CD1-OE1 3.33Å; L58-E89 VanDerWaalsContact CD2-OE1 3.25Å; L58-E89 WeakPolarHBondContact CD2-OE1 3.44Å; R62-E89 IonicContact CZ-OE2 2.69Å; R62-E89 IonicContact NE-OE2 3.88Å; R62-E89 PolarHBondContact NE-OE2 2.89Å; R62-E89 IonicContact NH2-OE1 3.19Å; R62-E89 IonicContact NH2-OE2 2.86Å; R62-E89 PolarHBondContact NH2-OE2 2.93Å; L87-E89 HydrophobicContact CB-CG 4.07Å; L87-E89 PolarHBondContact O-N 2.95Å; E89-I91 VanDerWaalsContact C-N 3.33Å
90	M	93.2	Very high	94.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-83.5	-11.3	-175.9	-54.2	172.9	98.8	0	0	112.5	F57 L58 L61 M84 L87 P88 G92 N93 I108	F57-M90 HydrophobicContact CD1-CE 3.88Å; F57-M90 HydrophobicContact CE1-CE 3.3Å; F57-M90 HydrophobicContact CZ-CE 4.2Å; L58-M90 HydrophobicContact CD2-CE 3.74Å; L58-M90 HydrophobicContact CD2-CG 3.99Å; L58-M90 HydrophobicContact CD2-SD 4.01Å; L61-M90 HydrophobicContact CD1-CE 3.27Å; L61-M90 HydrophobicContact CD1-CG 4.21Å; M84-M90 HydrophobicContact CE-CE 3.97Å; M84-M90 HydrophobicContact CE-SD 4.08Å; M84-M90 HydrophobicContact CG-CE 4.03Å; L87-M90 HydrophobicContact CB-CG 4.16Å; L87-M90 HydrophobicContact CB-SD 4.01Å; L87-M90 HydrophobicContact CG-SD 4.37Å; L87-M90 PolarHBondContact N-SD 2.98Å; L87-M90 VanDerWaalsContact O-CB 3.31Å; L87-M90 WeakPolarHBondContact O-CB 3.2Å; L87-M90 PolarHBondContact O-N 3.24Å; P88-M90 PolarHBondContact O-N 2.94Å; M90-G92 PolarHBondContact O-N 3.41Å; M90-N93 VanDerWaalsContact O-CB 3.3Å; M90-N93 WeakPolarHBondContact O-CB 3.43Å; M90-N93 PolarHBondContact O-N 2.82Å; M90-N93 VanDerWaalsContact O-N 3.11Å; M90-N93 PolarHBondContact O-ND2 3.42Å; M90-I108 HydrophobicContact CB-CG2 4.41Å
91	I	91.8	Very high	94.3	Very high	22 Å²	22	29.1 Å²	29.1	11%	0.113	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	134.1	-177.5	-63	166.9	0	0	0	110.6	L23 K65 P88 E89 N93 P110 V113	L23-I91 HydrophobicContact CD1-CD1 3.37Å; K65-I91 PolarHBondContact NZ-O 3.47Å; P88-I91 WeakPolarHBondContact O-CB 3.35Å; P88-I91 VanDerWaalsContact O-CD1 3.31Å; P88-I91 WeakPolarHBondContact O-CD1 3.3Å; P88-I91 WeakPolarHBondContact O-CG1 3.31Å; P88-I91 PolarHBondContact O-N 2.83Å; E89-I91 VanDerWaalsContact C-N 3.33Å; I91-N93 VanDerWaalsContact C-N 3.34Å; I91-P110 HydrophobicContact CD1-CB 4.41Å; I91-P110 HydrophobicContact CG2-CG 3.93Å; I91-V113 HydrophobicContact CD1-CG2 3.66Å; I91-V113 HydrophobicContact CG1-CG2 4.02Å
92	G	90.3	Very high	94.3	Very high	33 Å²	33	33.3 Å²	33.3	34%	0.34	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-7.1	-176.1	0	0	0	0	0	114.6	P74 M90 I108	P74-G92 WeakPolarHBondContact CD-O 3.38Å; P74-G92 WeakPolarHBondContact CG-O 3.26Å; M90-G92 PolarHBondContact O-N 3.41Å; G92-I108 PolarHBondContact N-O 3.24Å
93	N	93.2	Very high	94.4	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	18%	0.182	C	C	.	.			trans	-78.9	151.1	174.8	-70.6	-65	0	0	0	112.4	L61 M90 I91 V95 I108	L61-N93 HydrophobicContact CD2-CB 3.64Å; L61-N93 PolarHBondContact O-OD1 2.84Å; M90-N93 VanDerWaalsContact O-CB 3.3Å; M90-N93 WeakPolarHBondContact O-CB 3.43Å; M90-N93 PolarHBondContact O-N 2.82Å; M90-N93 VanDerWaalsContact O-N 3.11Å; M90-N93 PolarHBondContact O-ND2 3.42Å; I91-N93 VanDerWaalsContact C-N 3.34Å; N93-V95 HydrophobicContact CB-CG2 4.49Å; N93-I108 PolarHBondContact O-N 2.73Å
94	L	94.2	Very high	94.4	Very high	34 Å²	34	32.4 Å²	32.4	18%	0.178	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	112.3	171.1	-167.6	59.9	0	0	0	109.8	V76 I77 A105 E107	V76-L94 WeakPolarHBondContact CA-O 3.4Å; V76-L94 HydrophobicContact CB-CD2 4.37Å; V76-L94 HydrophobicContact CB-CG 4.42Å; V76-L94 HydrophobicContact CG2-CD2 3.32Å; V76-L94 HydrophobicContact CG2-CG 3.78Å; I77-L94 PolarHBondContact N-O 2.98Å; L94-A105 HydrophobicContact CD1-CB 4.26Å; L94-E107 HydrophobicContact CD1-CB 4.04Å
95	V	96.2	Very high	94.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.9	-175.3	-178	0	0	0	0	110.1	F57 L61 T79 N93 I97 V106 I108 L117	F57-V95 HydrophobicContact CE2-CG1 4.29Å; F57-V95 HydrophobicContact CZ-CG1 3.72Å; F57-V95 HydrophobicContact CZ-CG2 4.15Å; L61-V95 HydrophobicContact CD2-CG2 3.87Å; T79-V95 HydrophobicContact CG2-CG1 3.6Å; N93-V95 HydrophobicContact CB-CG2 4.49Å; V95-I97 HydrophobicContact CB-CG1 4.43Å; V95-I97 HydrophobicContact CG1-CG1 3.79Å; V95-I97 PolarHBondContact O-N 2.91Å; V95-V106 PolarHBondContact N-O 3.06Å; V95-V106 PolarHBondContact O-N 3.36Å; V95-I108 HydrophobicContact CB-CD1 4.41Å; V95-I108 HydrophobicContact CG2-CD1 4.12Å; V95-I108 HydrophobicContact CG2-CG1 3.79Å; V95-L117 HydrophobicContact CG1-CD1 4.2Å
96	G	96.9	Very high	94.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	102.9	170.3	0	0	0	0	0	110.4	I77 K78 T79 F103 N104	I77-G96 PolarHBondContact O-N 3.27Å; K78-G96 CarbonylContact C-O 3.55Å; K78-G96 WeakPolarHBondContact CA-O 3.47Å; T79-G96 PolarHBondContact N-O 3.06Å; G96-F103 WeakPolarHBondContact O-CD1 3.38Å; G96-N104 CarbonylContact C-O 3.48Å; G96-N104 WeakPolarHBondContact CA-O 3.46Å
97	I	97.3	Very high	94.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	116.1	-176.9	-51.8	173.1	0	0	0	109.3	R82 V95 N99 N104 V106 L117 F120 S121	R82-I97 HydrophobicContact CG-CG2 4.24Å; V95-I97 HydrophobicContact CB-CG1 4.43Å; V95-I97 HydrophobicContact CG1-CG1 3.79Å; V95-I97 PolarHBondContact O-N 2.91Å; I97-N99 PolarHBondContact O-N 3.18Å; I97-N104 PolarHBondContact N-O 3.2Å; I97-N104 PolarHBondContact O-N 2.87Å; I97-V106 HydrophobicContact CD1-CB 4.12Å; I97-V106 HydrophobicContact CD1-CG2 3.93Å; I97-L117 HydrophobicContact CD1-CB 4.05Å; I97-L117 HydrophobicContact CD1-CD2 4.04Å; I97-L117 VanDerWaalsContact CD1-O 3.26Å; I97-L117 WeakPolarHBondContact CD1-O 3.35Å; I97-F120 HydrophobicContact CD1-CB 4.15Å; I97-S121 PolarHBondContact O-OG 3.43Å
98	H	97.4	Very high	94.5	Very high	44 Å²	44	40.3 Å²	40.3	20%	0.204	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	132.3	178.9	-163.4	64.7	0	0	0	111.9	T79 H80 R82 G100 Q102 F103	T79-H98 PolarHBondContact O-N 2.92Å; H80-H98 AromaticContact CD2-CD2 3.49Å; H80-H98 PolarHBondContact CD2-CD2 3.25Å; H80-H98 VanDerWaalsContact CD2-CD2 3.49Å; H80-H98 AromaticContact CD2-CG 3.51Å; H80-H98 AromaticContact NE2-CD2 3.87Å; H80-H98 AromaticContact NE2-CG 3.77Å; R82-H98 WeakPolarHBondContact CD-O 3.49Å; R82-H98 PolarHBondContact NH1-O 3.49Å; H98-G100 PolarHBondContact CD2-N 2.89Å; H98-G100 VanDerWaalsContact CD2-N 3.27Å; H98-G100 WeakPolarHBondContact NE2-CA 3.24Å; H98-G100 PolarHBondContact NE2-N 2.98Å; H98-Q102 PolarHBondContact ND1-O 3.27Å; H98-F103 HydrophobicContact CB-CD1 3.82Å; H98-F103 HydrophobicContact CB-CE1 3.57Å; H98-F103 HydrophobicContact CB-CZ 4.16Å; H98-F103 AromaticContact CG-CE1 4Å; H98-F103 AromaticContact ND1-CD2 3.9Å; H98-F103 AromaticContact ND1-CE1 3.84Å; H98-F103 AromaticContact ND1-CE2 3.61Å; H98-F103 AromaticContact ND1-CZ 3.59Å
99	N	95.3	Very high	94.5	Very high	28 Å²	28	45.8 Å²	45.8	15%	0.15	25%	0.247	C	C	.	.			trans	-107.8	-0.1	176	75.5	-12.1	0	0	0	114.8	I97 K101 Q102 N104 I122	I97-N99 PolarHBondContact O-N 3.18Å; N99-K101 PolarHBondContact OD1-N 3.07Å; N99-Q102 PolarHBondContact N-O 3.39Å; N99-Q102 PolarHBondContact OD1-N 3.07Å; N99-Q102 PolarHBondContact OD1-O 3.31Å; N99-N104 PolarHBondContact ND2-ND2 3.19Å; N99-I122 VanDerWaalsContact CB-O 3.3Å; N99-I122 WeakPolarHBondContact CB-O 3.49Å; N99-I122 PolarHBondContact ND2-O 2.91Å
100	G	94.2	Very high	94.5	Very high	63 Å²	63	44.7 Å²	44.7	65%	0.649	25%	0.245	S	C	*	.	S	Bend	trans	108	-18.8	-174.7	0	0	0	0	0	113.7	H98	H98-G100 PolarHBondContact CD2-N 2.89Å; H98-G100 VanDerWaalsContact CD2-N 3.27Å; H98-G100 WeakPolarHBondContact NE2-CA 3.24Å; H98-G100 PolarHBondContact NE2-N 2.98Å
101	K	93.3	Very high	94.4	Very high	167 Å²	167	49.8 Å²	49.8	73%	0.726	27%	0.269	S	S	*	.	S	Bend	trans	-124.4	-42.6	176.4	-174.7	173.7	-177	173.4	0	112.6	N99	N99-K101 PolarHBondContact OD1-N 3.07Å
102	Q	95	Very high	94.6	Very high	108 Å²	108	50.1 Å²	50.1	51%	0.505	27%	0.27	S	S	.	.	S	Bend	trans	-140.4	166.8	-176.1	66.2	-172.9	21	0	0	111.2	H98 N99 N104	H98-Q102 PolarHBondContact ND1-O 3.27Å; N99-Q102 PolarHBondContact N-O 3.39Å; N99-Q102 PolarHBondContact OD1-N 3.07Å; N99-Q102 PolarHBondContact OD1-O 3.31Å; Q102-N104 WeakPolarHBondContact CG-OD1 3.42Å; Q102-N104 PolarHBondContact NE2-OD1 3.27Å
103	F	96.6	Very high	94.7	Very high	68 Å²	68	48.6 Å²	48.6	30%	0.298	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	107.2	171.1	-69.6	-89.6	0	0	0	108.8	K78 H80 G96 H98 A105	K78-F103 HydrophobicContact CB-CD1 3.81Å; K78-F103 HydrophobicContact CB-CE1 3.82Å; K78-F103 HydrophobicContact CB-CG 4.28Å; K78-F103 HydrophobicContact CB-CZ 4.33Å; K78-F103 HydrophobicContact CD-CD2 4.07Å; K78-F103 HydrophobicContact CD-CE2 4.33Å; K78-F103 HydrophobicContact CD-CG 4.16Å; K78-F103 HydrophobicContact CG-CB 4.39Å; K78-F103 HydrophobicContact CG-CD1 4.08Å; K78-F103 HydrophobicContact CG-CD2 4.47Å; K78-F103 HydrophobicContact CG-CE1 4.47Å; K78-F103 HydrophobicContact CG-CG 4.06Å; H80-F103 AromaticContact CE1-CZ 3.56Å; H80-F103 AromaticContact NE2-CZ 3.54Å; G96-F103 WeakPolarHBondContact O-CD1 3.38Å; H98-F103 HydrophobicContact CB-CD1 3.82Å; H98-F103 HydrophobicContact CB-CE1 3.57Å; H98-F103 HydrophobicContact CB-CZ 4.16Å; H98-F103 AromaticContact CG-CE1 4Å; H98-F103 AromaticContact ND1-CD2 3.9Å; H98-F103 AromaticContact ND1-CE1 3.84Å; H98-F103 AromaticContact ND1-CE2 3.61Å; H98-F103 AromaticContact ND1-CZ 3.59Å; F103-A105 PolarHBondContact O-N 3.49Å
104	N	94.7	Very high	94.7	Very high	40 Å²	40	48.5 Å²	48.5	21%	0.214	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	119.5	174.8	-65.1	-28	0	0	0	108.5	G96 I97 N99 Q102 V106 S121	G96-N104 CarbonylContact C-O 3.48Å; G96-N104 WeakPolarHBondContact CA-O 3.46Å; I97-N104 PolarHBondContact N-O 3.2Å; I97-N104 PolarHBondContact O-N 2.87Å; N99-N104 PolarHBondContact ND2-ND2 3.19Å; Q102-N104 WeakPolarHBondContact CG-OD1 3.42Å; Q102-N104 PolarHBondContact NE2-OD1 3.27Å; N104-V106 PolarHBondContact O-N 2.83Å; N104-S121 PolarHBondContact ND2-OG 3.47Å
105	A	95.5	Very high	94.7	Very high	63 Å²	63	50.7 Å²	50.7	52%	0.521	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	120.2	177	0	0	0	0	0	109.7	V76 L94 F103	V76-A105 HydrophobicContact CG1-CB 4.4Å; L94-A105 HydrophobicContact CD1-CB 4.26Å; F103-A105 PolarHBondContact O-N 3.49Å
106	V	95.3	Very high	94.7	Very high	21 Å²	21	51.4 Å²	51.4	13%	0.127	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.5	179.8	-179	0	0	0	0	108.6	V95 I97 N104 I108 M112 F120	V95-V106 PolarHBondContact N-O 3.06Å; V95-V106 PolarHBondContact O-N 3.36Å; I97-V106 HydrophobicContact CD1-CB 4.12Å; I97-V106 HydrophobicContact CD1-CG2 3.93Å; N104-V106 PolarHBondContact O-N 2.83Å; V106-I108 HydrophobicContact CG1-CD1 4.5Å; V106-M112 HydrophobicContact CG1-CE 4.14Å; V106-M112 HydrophobicContact CG1-SD 4.16Å; V106-F120 HydrophobicContact CG1-CB 4.1Å; V106-F120 HydrophobicContact CG2-CB 4.25Å
107	E	94.4	Very high	94.7	Very high	85 Å²	85	51.4 Å²	51.4	40%	0.397	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	120.7	170.9	-174.8	176.8	158.4	0	0	108.9	K73 L94 R109	K73-E107 IonicContact NZ-OE2 3.56Å; K73-E107 PolarHBondContact NZ-OE2 3.25Å; L94-E107 HydrophobicContact CD1-CB 4.04Å; E107-R109 PolarHBondContact O-N 2.88Å
108	I	94.3	Very high	94.5	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.015	27%	0.273	C	S	.	.			trans	-76	108.2	-176.6	-57.1	-58.8	0	0	0	109.7	V86 M90 G92 N93 V95 V106 M112 L117	V86-I108 HydrophobicContact CG1-CG2 3.5Å; V86-I108 VanDerWaalsContact CG1-CG2 3.5Å; V86-I108 HydrophobicContact CG2-CD1 4.47Å; M90-I108 HydrophobicContact CB-CG2 4.41Å; G92-I108 PolarHBondContact N-O 3.24Å; N93-I108 PolarHBondContact O-N 2.73Å; V95-I108 HydrophobicContact CB-CD1 4.41Å; V95-I108 HydrophobicContact CG2-CD1 4.12Å; V95-I108 HydrophobicContact CG2-CG1 3.79Å; V106-I108 HydrophobicContact CG1-CD1 4.5Å; I108-M112 HydrophobicContact CD1-SD 4.43Å; I108-L117 HydrophobicContact CD1-CD2 3.92Å
109	R	92.8	Very high	94.4	Very high	121 Å²	121	54.8 Å²	54.8	46%	0.457	29%	0.286	S	S	.	.			trans	-91.4	157.6	176.6	-67.9	176	58.5	-169	-7.5	111.5	E107 E111 M112	E107-R109 PolarHBondContact O-N 2.88Å; R109-E111 IonicContact CZ-OE1 2.67Å; R109-E111 IonicContact CZ-OE2 3.54Å; R109-E111 IonicContact NH2-OE1 3.42Å; R109-E111 PolarHBondContact NH2-OE1 3.1Å; R109-E111 IonicContact NH2-OE2 2.73Å; R109-E111 PolarHBondContact NH2-OE2 2.86Å; R109-E111 PolarHBondContact O-N 2.99Å; R109-M112 HydrophobicContact CB-CE 4.25Å; R109-M112 HydrophobicContact CB-CG 4.26Å; R109-M112 HydrophobicContact CB-SD 4.35Å; R109-M112 HydrophobicContact CG-CE 4.35Å; R109-M112 PolarHBondContact N-SD 3.46Å; R109-M112 VanDerWaalsContact O-CB 3.32Å; R109-M112 WeakPolarHBondContact O-CB 3.23Å; R109-M112 PolarHBondContact O-N 3.49Å
110	P	92.3	Very high	94.5	Very high	34 Å²	34	56.5 Å²	56.5	22%	0.221	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-54.6	-36.7	176.9	-26.4	34.3	0	0	0	114.1	Y16 L23 I91 M112 V113	Y16-P110 HydrophobicContact CD1-CB 3.36Å; Y16-P110 HydrophobicContact CD2-CB 4.34Å; Y16-P110 VanDerWaalsContact CE1-C 3.45Å; Y16-P110 HydrophobicContact CE1-CB 3.76Å; Y16-P110 WeakPolarHBondContact CE1-O 3.49Å; Y16-P110 HydrophobicContact CG-CB 3.67Å; Y16-P110 VanDerWaalsContact CZ-C 3.48Å; Y16-P110 PolarHBondContact OH-O 3.27Å; L23-P110 HydrophobicContact CD1-CB 4.42Å; L23-P110 HydrophobicContact CD2-CB 4.43Å; L23-P110 HydrophobicContact CD2-CG 4.1Å; I91-P110 HydrophobicContact CD1-CB 4.41Å; I91-P110 HydrophobicContact CG2-CG 3.93Å; P110-M112 PolarHBondContact O-N 3.27Å; P110-M112 VanDerWaalsContact O-N 3.08Å; P110-V113 VanDerWaalsContact O-CG2 3.27Å; P110-V113 WeakPolarHBondContact O-CG2 3.44Å; P110-V113 PolarHBondContact O-N 2.98Å
111	E	92.1	Very high	94.5	Very high	109 Å²	109	53.6 Å²	53.6	51%	0.509	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-59.1	-19.2	176.6	-67.6	160.2	-149.6	0	0	114.1	Y16 R109	Y16-E111 HydrophobicContact CD2-CG 3.98Å; Y16-E111 HydrophobicContact CE2-CB 4.21Å; Y16-E111 HydrophobicContact CE2-CG 3.74Å; Y16-E111 WeakPolarHBondContact OH-CA 3.44Å; R109-E111 IonicContact CZ-OE1 2.67Å; R109-E111 IonicContact CZ-OE2 3.54Å; R109-E111 IonicContact NH2-OE1 3.42Å; R109-E111 PolarHBondContact NH2-OE1 3.1Å; R109-E111 IonicContact NH2-OE2 2.73Å; R109-E111 PolarHBondContact NH2-OE2 2.86Å; R109-E111 PolarHBondContact O-N 2.99Å
112	M	94.4	Very high	94.6	Very high	29 Å²	29	50 Å²	50	14%	0.143	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-87.5	-7.1	-176.2	-58.8	-178.5	176	0	0	113.2	V86 V106 I108 R109 P110 G114 H115 F120	V86-M112 WeakPolarHBondContact CB-O 3.33Å; V86-M112 HydrophobicContact CG1-CB 4.33Å; V106-M112 HydrophobicContact CG1-CE 4.14Å; V106-M112 HydrophobicContact CG1-SD 4.16Å; I108-M112 HydrophobicContact CD1-SD 4.43Å; R109-M112 HydrophobicContact CB-CE 4.25Å; R109-M112 HydrophobicContact CB-CG 4.26Å; R109-M112 HydrophobicContact CB-SD 4.35Å; R109-M112 HydrophobicContact CG-CE 4.35Å; R109-M112 PolarHBondContact N-SD 3.46Å; R109-M112 VanDerWaalsContact O-CB 3.32Å; R109-M112 WeakPolarHBondContact O-CB 3.23Å; R109-M112 PolarHBondContact O-N 3.49Å; P110-M112 PolarHBondContact O-N 3.27Å; P110-M112 VanDerWaalsContact O-N 3.08Å; M112-G114 PolarHBondContact O-N 3.04Å; M112-H115 WeakPolarHBondContact O-CB 3.17Å; M112-H115 PolarHBondContact O-N 3.05Å; M112-F120 HydrophobicContact CB-CE1 4.05Å; M112-F120 HydrophobicContact CB-CE2 3.96Å; M112-F120 HydrophobicContact CB-CZ 3.45Å; M112-F120 VanDerWaalsContact CB-CZ 3.45Å; M112-F120 HydrophobicContact CE-CD1 4.18Å; M112-F120 HydrophobicContact CE-CE1 4.21Å; M112-F120 HydrophobicContact CG-CD1 4.36Å; M112-F120 HydrophobicContact CG-CE1 3.59Å; M112-F120 HydrophobicContact CG-CE2 4.29Å; M112-F120 HydrophobicContact CG-CZ 3.55Å; M112-F120 HydrophobicContact SD-CD1 4.14Å; M112-F120 HydrophobicContact SD-CE1 3.95Å; M112-F120 HydrophobicContact SD-CE2 4.46Å; M112-F120 HydrophobicContact SD-CG 4.48Å; M112-F120 HydrophobicContact SD-CZ 4.13Å
113	V	92.9	Very high	94.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	133.9	-176.8	175.7	0	0	0	0	111.3	Y18 L26 M38 V86 P88 I91 P110 H115	Y18-V113 VanDerWaalsContact CE2-O 3.3Å; Y18-V113 WeakPolarHBondContact CE2-O 3.49Å; L26-V113 HydrophobicContact CD2-CG1 4.13Å; M38-V113 HydrophobicContact CE-CG1 4.3Å; V86-V113 HydrophobicContact CG1-CG2 4.47Å; P88-V113 HydrophobicContact CG-CG1 4.15Å; I91-V113 HydrophobicContact CD1-CG2 3.66Å; I91-V113 HydrophobicContact CG1-CG2 4.02Å; P110-V113 VanDerWaalsContact O-CG2 3.27Å; P110-V113 WeakPolarHBondContact O-CG2 3.44Å; P110-V113 PolarHBondContact O-N 2.98Å; V113-H115 VanDerWaalsContact C-N 3.31Å; V113-H115 PolarHBondContact O-N 3.37Å
114	G	92.8	Very high	94.4	Very high	2 Å²	2	53.1 Å²	53.1	2%	0.021	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-10.9	-179.9	0	0	0	0	0	114.9	H39 V86 M112	H39-G114 PolarHBondContact NE2-O 3.07Å; V86-G114 PolarHBondContact O-N 2.89Å; M112-G114 PolarHBondContact O-N 3.04Å
115	H	95.7	Very high	94	Very high	79 Å²	79	59.1 Å²	59.1	37%	0.366	29%	0.29	S	S	.	.	S	Bend	trans	-83.5	160.5	171.5	-68.5	-84.3	0	0	0	111.7	V86 M112 V113 E119 F120	V86-H115 PolarHBondContact N-O 3.3Å; M112-H115 WeakPolarHBondContact O-CB 3.17Å; M112-H115 PolarHBondContact O-N 3.05Å; V113-H115 VanDerWaalsContact C-N 3.31Å; V113-H115 PolarHBondContact O-N 3.37Å; H115-E119 IonicContact CE1-OE2 3.51Å; H115-E119 IonicContact CG-OE2 3.79Å; H115-E119 IonicContact ND1-OE2 3.02Å; H115-E119 PolarHBondContact ND1-OE2 2.95Å; H115-F120 HydrophobicContact CB-CE2 3.69Å; H115-F120 HydrophobicContact CB-CZ 3.61Å
116	Y	95.9	Very high	93.7	Very high	15 Å²	15	59.8 Å²	59.8	6%	0.059	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-82.8	143.6	171.1	-73	-86.3	0	0	0	111.4	R41 D83 M84 I85 G118 E119	R41-Y116 HydrophobicContact CG-CE2 4.06Å; R41-Y116 WeakPolarHBondContact CG-OH 3.44Å; R41-Y116 PolarHBondContact O-OH 3.47Å; D83-Y116 WeakPolarHBondContact O-CD1 3.34Å; D83-Y116 VanDerWaalsContact O-CE1 3.31Å; D83-Y116 WeakPolarHBondContact O-CE1 3.46Å; M84-Y116 WeakPolarHBondContact O-CA 3.46Å; I85-Y116 HydrophobicContact CD1-CE1 4.11Å; I85-Y116 HydrophobicContact CG1-CD1 3.87Å; I85-Y116 HydrophobicContact CG1-CE1 3.41Å; I85-Y116 VanDerWaalsContact CG1-CE1 3.41Å; I85-Y116 HydrophobicContact CG1-CE2 4.41Å; Y116-G118 PolarHBondContact O-N 3.19Å; Y116-G118 VanDerWaalsContact O-N 3.1Å; Y116-E119 WeakPolarHBondContact CB-OE1 3.45Å; Y116-E119 WeakPolarHBondContact CD2-OE1 3.49Å; Y116-E119 PolarHBondContact N-OE1 3.06Å; Y116-E119 WeakPolarHBondContact O-CB 3.39Å; Y116-E119 PolarHBondContact O-N 3.04Å
117	L	95.9	Very high	93.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-53.4	-35.4	175.1	-73.5	-174.2	0	0	0	112.5	F57 T79 M84 V86 V95 I97 I108 E119 F120	F57-L117 HydrophobicContact CE1-CD1 3.82Å; F57-L117 HydrophobicContact CZ-CD1 4.06Å; T79-L117 HydrophobicContact CG2-CD1 4.17Å; M84-L117 HydrophobicContact CB-CD1 3.84Å; M84-L117 HydrophobicContact CB-CG 4.2Å; M84-L117 HydrophobicContact CG-CD1 4.26Å; M84-L117 PolarHBondContact O-N 2.88Å; V86-L117 HydrophobicContact CG2-CD2 3.74Å; V86-L117 HydrophobicContact CG2-CG 4.48Å; V95-L117 HydrophobicContact CG1-CD1 4.2Å; I97-L117 HydrophobicContact CD1-CB 4.05Å; I97-L117 HydrophobicContact CD1-CD2 4.04Å; I97-L117 VanDerWaalsContact CD1-O 3.26Å; I97-L117 WeakPolarHBondContact CD1-O 3.35Å; I108-L117 HydrophobicContact CD1-CD2 3.92Å; L117-E119 PolarHBondContact O-N 3.5Å; L117-F120 PolarHBondContact O-N 2.83Å
118	G	94.6	Very high	92.8	Very high	15 Å²	15	69.5 Å²	69.5	16%	0.155	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-59.1	-25.2	177.1	0	0	0	0	0	114.7	R82 Y116 F120 S121	R82-G118 PolarHBondContact NH2-O 3.37Å; R82-G118 PolarHBondContact O-N 3.19Å; Y116-G118 PolarHBondContact O-N 3.19Å; Y116-G118 VanDerWaalsContact O-N 3.1Å; G118-F120 VanDerWaalsContact C-N 3.27Å; G118-F120 PolarHBondContact O-N 3.11Å; G118-S121 PolarHBondContact O-N 3.06Å
119	E	95.3	Very high	92.2	Very high	100 Å²	100	78.6 Å²	78.6	47%	0.467	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-69.5	-26.4	-179.4	-64.6	170.9	-140.4	0	0	112	H115 Y116 L117	H115-E119 IonicContact CE1-OE2 3.51Å; H115-E119 IonicContact CG-OE2 3.79Å; H115-E119 IonicContact ND1-OE2 3.02Å; H115-E119 PolarHBondContact ND1-OE2 2.95Å; Y116-E119 WeakPolarHBondContact CB-OE1 3.45Å; Y116-E119 WeakPolarHBondContact CD2-OE1 3.49Å; Y116-E119 PolarHBondContact N-OE1 3.06Å; Y116-E119 WeakPolarHBondContact O-CB 3.39Å; Y116-E119 PolarHBondContact O-N 3.04Å; L117-E119 PolarHBondContact O-N 3.5Å
120	F	95.8	Very high	91.5	Very high	64 Å²	64	75.5 Å²	75.5	28%	0.281	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-90.7	2.1	-177.1	-56.5	-71.3	0	0	0	114.2	V86 I97 V106 M112 H115 L117 G118	V86-F120 HydrophobicContact CG2-CE2 4.03Å; I97-F120 HydrophobicContact CD1-CB 4.15Å; V106-F120 HydrophobicContact CG1-CB 4.1Å; V106-F120 HydrophobicContact CG2-CB 4.25Å; M112-F120 HydrophobicContact CB-CE1 4.05Å; M112-F120 HydrophobicContact CB-CE2 3.96Å; M112-F120 HydrophobicContact CB-CZ 3.45Å; M112-F120 VanDerWaalsContact CB-CZ 3.45Å; M112-F120 HydrophobicContact CE-CD1 4.18Å; M112-F120 HydrophobicContact CE-CE1 4.21Å; M112-F120 HydrophobicContact CG-CD1 4.36Å; M112-F120 HydrophobicContact CG-CE1 3.59Å; M112-F120 HydrophobicContact CG-CE2 4.29Å; M112-F120 HydrophobicContact CG-CZ 3.55Å; M112-F120 HydrophobicContact SD-CD1 4.14Å; M112-F120 HydrophobicContact SD-CE1 3.95Å; M112-F120 HydrophobicContact SD-CE2 4.46Å; M112-F120 HydrophobicContact SD-CG 4.48Å; M112-F120 HydrophobicContact SD-CZ 4.13Å; H115-F120 HydrophobicContact CB-CE2 3.69Å; H115-F120 HydrophobicContact CB-CZ 3.61Å; L117-F120 PolarHBondContact O-N 2.83Å; G118-F120 VanDerWaalsContact C-N 3.27Å; G118-F120 PolarHBondContact O-N 3.11Å
121	S	95	Very high	90.7	Very high	2 Å²	2	85.5 Å²	85.5	1%	0.014	42%	0.419	C	S	.	.	S	Bend	trans	-140.3	103.7	-177.4	-178.6	0	0	0	0	110.4	R82 I97 N104 G118 T123	R82-S121 VanDerWaalsContact CZ-O 3.31Å; R82-S121 PolarHBondContact NH1-O 3.24Å; R82-S121 PolarHBondContact NH2-O 2.82Å; I97-S121 PolarHBondContact O-OG 3.43Å; N104-S121 PolarHBondContact ND2-OG 3.47Å; G118-S121 PolarHBondContact O-N 3.06Å; S121-T123 PolarHBondContact O-N 3.29Å
122	I	94.4	Very high	89.8	Confident	93 Å²	93	84 Å²	84	48%	0.477	42%	0.419	S	S	.	.			trans	-66.8	130.4	-178.5	-49.9	176.5	0	0	0	109.7	N99 Y124	N99-I122 VanDerWaalsContact CB-O 3.3Å; N99-I122 WeakPolarHBondContact CB-O 3.49Å; N99-I122 PolarHBondContact ND2-O 2.91Å; I122-Y124 HydrophobicContact CG2-CD1 3.72Å; I122-Y124 HydrophobicContact CG2-CE1 3.72Å; I122-Y124 HydrophobicContact CG2-CG 4.21Å; I122-Y124 WeakPolarHBondContact CG2-O 3.39Å
123	T	95.5	Very high	88.7	Confident	84 Å²	84	84.9 Å²	84.9	52%	0.515	44%	0.436	S	S	.	.	S	Bend	trans	-81.2	-19.6	-177.5	48.2	0	0	0	0	113.9	R82 S121	R82-T123 VanDerWaalsContact NH2-CG2 3.34Å; S121-T123 PolarHBondContact O-N 3.29Å
124	Y	92.7	Very high	87.5	Confident	156 Å²	156	91.5 Å²	91.5	61%	0.612	47%	0.469	S	S	*	.	S	Bend	trans	-121.7	163.4	-179.1	67.2	-81.7	0	0	0	110.7	I122 P126	I122-Y124 HydrophobicContact CG2-CD1 3.72Å; I122-Y124 HydrophobicContact CG2-CE1 3.72Å; I122-Y124 HydrophobicContact CG2-CG 4.21Å; I122-Y124 WeakPolarHBondContact CG2-O 3.39Å; Y124-P126 HydrophobicContact CE2-CB 4.31Å; Y124-P126 HydrophobicContact CE2-CG 4.19Å
125	K	87.3	Confident	86.3	Confident	167 Å²	167	93.1 Å²	93.1	73%	0.726	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-90	119.5	166.9	-68	-176.7	174.5	-169.3	0	107.5	V127	K125-V127 PolarHBondContact O-N 3.19Å
126	P	89.1	Confident	85.3	Confident	76 Å²	76	92.9 Å²	92.9	49%	0.494	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-54.6	123.8	177.5	-26.3	34.7	0	0	0	111	Y124 K128	Y124-P126 HydrophobicContact CE2-CB 4.31Å; Y124-P126 HydrophobicContact CE2-CG 4.19Å; P126-K128 PolarHBondContact O-N 3.02Å
127	V	86.8	Confident	84.3	Confident	128 Å²	128	94.6 Å²	94.6	78%	0.776	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-75.6	121.1	176.2	-177.4	0	0	0	0	107.2	K125	K125-V127 PolarHBondContact O-N 3.19Å
128	K	83.2	Confident	83.4	Confident	182 Å²	182	101.5 Å²	101.5	79%	0.791	54%	0.542	S	S	*	.			trans	-115.7	130.3	169.9	-66.2	-175.7	178.4	-175.3	0	107.4	P126 G130	P126-K128 PolarHBondContact O-N 3.02Å; K128-G130 PolarHBondContact O-N 3.41Å; K128-G130 VanDerWaalsContact O-N 3.07Å
129	H	81.9	Confident	82.5	Confident	194 Å²	194	105.6 Å²	105.6	90%	0.898	57%	0.569	S	S	*	*			trans	-72.6	100	166.6	-62.8	-71.1	0	0	0	107.2
130	G	78.9	Confident	81.4	Confident	57 Å²	57	101.6 Å²	101.6	59%	0.588	55%	0.551	S	S	*	*	S	Bend	trans	-130.7	-170.7	170.9	0	0	0	0	0	109.2	K128 P132	K128-G130 PolarHBondContact O-N 3.41Å; K128-G130 VanDerWaalsContact O-N 3.07Å; G130-P132 WeakPolarHBondContact O-CD 3.23Å; G130-P132 VanDerWaalsContact O-N 3.16Å
131	R	74.8	Confident	80.2	Confident	243 Å²	243	106.9 Å²	106.9	92%	0.917	57%	0.57	S	S	*	*	S	Bend	trans	-52.9	124.7	169	-171.8	174.9	-176	173.5	1.4	108.2	G133	R131-G133 PolarHBondContact O-N 3.13Å
132	P	74.2	Confident	79.3	Confident	78 Å²	78	114.8 Å²	114.8	51%	0.506	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-53.4	129.8	176.9	-24.3	32.2	0	0	0	109.2	G130 A136 T137	G130-P132 WeakPolarHBondContact O-CD 3.23Å; G130-P132 VanDerWaalsContact O-N 3.16Å; P132-A136 HydrophobicContact CB-CB 4.35Å; P132-T137 HydrophobicContact CB-CG2 3.71Å; P132-T137 HydrophobicContact CG-CG2 3.84Å
133	G	70	Confident	78.3	Confident	47 Å²	47	115.4 Å²	115.4	49%	0.485	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-55.7	146.6	169.4	0	0	0	0	0	109.1	R131 G135 A136	R131-G133 PolarHBondContact O-N 3.13Å; G133-G135 PolarHBondContact O-N 3.21Å; G133-G135 VanDerWaalsContact O-N 3.1Å; G133-A136 WeakPolarHBondContact O-CB 3.34Å; G133-A136 PolarHBondContact O-N 2.93Å
134	I	67.4	Low	77.3	Confident	139 Å²	139	116.9 Å²	116.9	71%	0.713	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	121.9	175.9	-56	171.2	0	0	0	107.5	L145	I134-L145 HydrophobicContact CB-CD2 4.35Å; I134-L145 HydrophobicContact CG2-CD2 3.55Å
135	G	68.4	Low	76.2	Confident	37 Å²	37	116.2 Å²	116.2	38%	0.381	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	91	1.9	-175	0	0	0	0	0	116.2	G133 S140	G133-G135 PolarHBondContact O-N 3.21Å; G133-G135 VanDerWaalsContact O-N 3.1Å; G135-S140 PolarHBondContact N-OG 3.29Å
136	A	75.5	Confident	75.2	Confident	74 Å²	74	121.4 Å²	121.4	61%	0.612	65%	0.647	S	S	*	*			trans	-85	-28.8	-179.1	0	0	0	0	0	114.1	P132 G133	P132-A136 HydrophobicContact CB-CB 4.35Å; G133-A136 WeakPolarHBondContact O-CB 3.34Å; G133-A136 PolarHBondContact O-N 2.93Å
137	T	74.1	Confident	74.5	Confident	50 Å²	50	123.7 Å²	123.7	31%	0.307	66%	0.655	S	S	.	*	S	Bend	trans	-90.4	148	174.1	59.2	0	0	0	0	110.6	P132 S139 S140 R141	P132-T137 HydrophobicContact CB-CG2 3.71Å; P132-T137 HydrophobicContact CG-CG2 3.84Å; T137-S139 PolarHBondContact O-N 3.26Å; T137-S139 VanDerWaalsContact O-N 3.12Å; T137-S139 PolarHBondContact OG1-OG 3.09Å; T137-S140 PolarHBondContact N-OG 2.95Å; T137-S140 PolarHBondContact O-N 3.22Å; T137-S140 PolarHBondContact O-OG 3.49Å; T137-S140 VanDerWaalsContact O-OG 3.09Å; T137-S140 WeakPolarHBondContact OG1-CB 3.25Å; T137-S140 PolarHBondContact OG1-N 3.01Å; T137-S140 PolarHBondContact OG1-OG 3.12Å; T137-R141 PolarHBondContact O-N 2.97Å
138	H	76.3	Confident	73.8	Confident	145 Å²	145	123.5 Å²	123.5	67%	0.671	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-54.2	-33.5	174.4	-167.9	-89.9	0	0	0	112.3
139	S	75.4	Confident	73.3	Confident	102 Å²	102	120.2 Å²	120.2	71%	0.713	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-70.6	-27.5	176	55.1	0	0	0	0	114.7	T137	T137-S139 PolarHBondContact O-N 3.26Å; T137-S139 VanDerWaalsContact O-N 3.12Å; T137-S139 PolarHBondContact OG1-OG 3.09Å
140	S	73	Confident	72.8	Confident	15 Å²	15	115.9 Å²	115.9	11%	0.105	63%	0.626	C	S	.	*	G	3₁₀ helix	trans	-95.2	-3.1	-179	59.6	0	0	0	0	113.7	G135 T137 F142 I143	G135-S140 PolarHBondContact N-OG 3.29Å; T137-S140 PolarHBondContact N-OG 2.95Å; T137-S140 PolarHBondContact O-N 3.22Å; T137-S140 PolarHBondContact O-OG 3.49Å; T137-S140 VanDerWaalsContact O-OG 3.09Å; T137-S140 WeakPolarHBondContact OG1-CB 3.25Å; T137-S140 PolarHBondContact OG1-N 3.01Å; T137-S140 PolarHBondContact OG1-OG 3.12Å; S140-F142 PolarHBondContact O-N 3.32Å; S140-I143 PolarHBondContact O-N 3.23Å
141	R	71.5	Confident	72.4	Confident	175 Å²	175	119.6 Å²	119.6	66%	0.66	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-25.8	-174.3	-141.6	178.3	-160.8	171.2	3.1	113.9	T137	T137-R141 PolarHBondContact O-N 2.97Å
142	F	75	Confident	72.2	Confident	168 Å²	168	111.3 Å²	111.3	74%	0.737	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	4.4	-176.8	-57	-74.7	0	0	0	113.5	S140 P144	S140-F142 PolarHBondContact O-N 3.32Å; F142-P144 VanDerWaalsContact O-CD 3.25Å; F142-P144 WeakPolarHBondContact O-CD 3.25Å
143	I	74.3	Confident	72.1	Confident	106 Å²	106	113.7 Å²	113.7	54%	0.544	62%	0.616	S	S	.	*	S	Bend	trans	-74.7	116.6	174.9	-58.3	175.8	0	0	0	107	S140 L145	S140-I143 PolarHBondContact O-N 3.23Å; I143-L145 PolarHBondContact O-N 3.33Å
144	P	74.2	Confident	72.3	Confident	116 Å²	116	118.8 Å²	118.8	75%	0.753	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-61	129.5	179	-19	31.8	0	0	0	110	F142 K146	F142-P144 VanDerWaalsContact O-CD 3.25Å; F142-P144 WeakPolarHBondContact O-CD 3.25Å; P144-K146 PolarHBondContact O-N 3.41Å
145	L	69.4	Low	72.7	Confident	141 Å²	141	117.2 Å²	117.2	74%	0.738	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-71.5	121.2	166.3	-65.5	170.7	0	0	0	106.9	I134 I143	I134-L145 HydrophobicContact CB-CD2 4.35Å; I134-L145 HydrophobicContact CG2-CD2 3.55Å; I143-L145 PolarHBondContact O-N 3.33Å
146	K	65.1	Low	73.1	Confident	277 Å²	277	124.5 Å²	124.5	100%	1.204	64%	0.64	S	S	*	*			trans	-75.6	0	171.8	-167.9	173.8	-176.1	177.3	0	110.6	P144	P144-K146 PolarHBondContact O-N 3.41Å

Retrieved 146 of 146 residues in 141.3 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).