G4VLM8_SCHMA Loading...

Sorting nexin-3

Required for retention of late Golgi membrane proteins. Component of the retrieval machinery that functions by direct interaction with the cytosolic tails of certain TGN membrane proteins during the sorting/budding process at the prevacuolar compartment. Binds phosphatidylinositol 3-phosphate (PtdIns(P3)).

AlphaFold DB , UniProt , Accession G4VLM8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 166 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.6	Very low	54.9	Low	245 Å²	245	133.3 Å²	133.3	100%	1.207	82%	0.82	S	S	*	*				0	106.6	0	-159.6	175.9	-108.1	0	0	105.3
2	L	47.9	Very low	56.3	Low	180 Å²	180	132.8 Å²	132.8	94%	0.942	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-77.7	119.9	-170.7	-77.3	129.8	0	0	0	109.6	S4	L2-S4 PolarHBondContact O-N 3.46Å
3	E	48.5	Very low	58.1	Low	191 Å²	191	134.1 Å²	134.1	89%	0.893	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-70.5	121.7	169.3	-72	-176	152.8	0	0	109.4	P5	E3-P5 WeakPolarHBondContact O-CD 3.46Å
4	S	53.2	Low	59.5	Low	106 Å²	106	141.4 Å²	141.4	74%	0.741	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-80.3	120.9	177.8	53.5	0	0	0	0	110.8	L2 A6	L2-S4 PolarHBondContact O-N 3.46Å; S4-A6 PolarHBondContact O-N 2.71Å; S4-A6 VanDerWaalsContact O-N 3.15Å
5	P	50.1	Low	60.5	Low	138 Å²	138	142.5 Å²	142.5	90%	0.896	82%	0.815	S	S	*	*			trans	-87.3	84.8	180	33.8	-31.4	0	0	0	109.9	E3	E3-P5 WeakPolarHBondContact O-CD 3.46Å
6	A	54.7	Low	61.7	Low	82 Å²	82	142.1 Å²	142.1	68%	0.678	82%	0.815	S	S	*	*			trans	-142.3	101.3	170.8	0	0	0	0	0	108.6	S4	S4-A6 PolarHBondContact O-N 2.71Å; S4-A6 VanDerWaalsContact O-N 3.15Å
7	T	56.2	Low	62.2	Low	127 Å²	127	140.6 Å²	140.6	78%	0.779	81%	0.812	S	S	*	*			trans	170.1	55.3	144.3	-61.3	0	0	0	0	109.8
8	V	56.5	Low	62.9	Low	136 Å²	136	145.3 Å²	145.3	82%	0.824	81%	0.814	S	S	*	*	S	Bend	trans	-106	-19.4	169.1	-75.9	0	0	0	0	113.1	S10	V8-S10 VanDerWaalsContact C-N 3.33Å; V8-S10 PolarHBondContact O-N 3.37Å
9	A	60.7	Low	63.7	Low	87 Å²	87	149.9 Å²	149.9	72%	0.719	82%	0.817	S	S	*	*	G	3₁₀ helix	trans	-73	-20	-176.8	0	0	0	0	0	114.3	A11	A9-A11 VanDerWaalsContact C-N 3.31Å; A9-A11 PolarHBondContact O-N 3.15Å
10	S	63.5	Low	64.3	Low	78 Å²	78	151.4 Å²	151.4	55%	0.545	82%	0.818	S	S	.	*	G	3₁₀ helix	trans	-75.1	-19.1	-177.2	-169.6	0	0	0	0	113.5	V8 T12	V8-S10 VanDerWaalsContact C-N 3.33Å; V8-S10 PolarHBondContact O-N 3.37Å; S10-T12 VanDerWaalsContact C-N 3.27Å; S10-T12 PolarHBondContact O-N 3.15Å
11	A	65.9	Low	65	Low	96 Å²	96	147.6 Å²	147.6	79%	0.793	80%	0.8	S	S	*	*	G	3₁₀ helix	trans	-70.6	-21.9	-172.5	0	0	0	0	0	113.5	A9	A9-A11 VanDerWaalsContact C-N 3.31Å; A9-A11 PolarHBondContact O-N 3.15Å
12	T	72.3	Confident	66.6	Low	127 Å²	127	142.2 Å²	142.2	78%	0.779	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-113.1	15.6	-176.7	55.8	0	0	0	0	113.4	S10 R14	S10-T12 VanDerWaalsContact C-N 3.27Å; S10-T12 PolarHBondContact O-N 3.15Å; T12-R14 PolarHBondContact O-N 3.27Å
13	Q	78.6	Confident	68.1	Low	150 Å²	150	141.2 Å²	141.2	70%	0.701	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-63.3	126.8	178.2	-165.7	170.2	20.7	0	0	110.4	L15	Q13-L15 PolarHBondContact O-N 3.2Å
14	R	78.1	Confident	69.4	Low	237 Å²	237	136.4 Å²	136.4	89%	0.894	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-62.4	121.2	-179.9	-167.6	174.2	-173.5	179	2	109.5	T12 V16	T12-R14 PolarHBondContact O-N 3.27Å; R14-V16 PolarHBondContact O-N 3.43Å
15	L	74.8	Confident	70.5	Confident	158 Å²	158	135 Å²	135	83%	0.827	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-61.9	132.9	176.4	-62.2	175.7	0	0	0	109.9	Q13	Q13-L15 PolarHBondContact O-N 3.2Å
16	V	79.7	Confident	71.8	Confident	136 Å²	136	137.5 Å²	137.5	82%	0.824	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-66.9	122.7	171.6	-174.8	0	0	0	0	107.3	R14 R18	R14-V16 PolarHBondContact O-N 3.43Å; V16-R18 PolarHBondContact O-N 2.9Å; V16-R18 VanDerWaalsContact O-N 3.09Å
17	P	70.7	Confident	72.8	Confident	117 Å²	117	137.1 Å²	137.1	76%	0.76	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-64.2	116.6	179.8	25.2	-31.8	0	0	0	109.2	R19	P17-R19 PolarHBondContact O-N 3.42Å
18	R	74.7	Confident	73.4	Confident	225 Å²	225	136 Å²	136	85%	0.849	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-64.4	129.2	168.2	-179.5	177.8	-93	140	-7.5	107.5	V16 Q20	V16-R18 PolarHBondContact O-N 2.9Å; V16-R18 VanDerWaalsContact O-N 3.09Å; R18-Q20 PolarHBondContact O-N 3.07Å
19	R	78.1	Confident	73.9	Confident	233 Å²	233	134 Å²	134	88%	0.879	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-58.6	121.3	172.5	-81.7	-177.5	164.4	133.6	-3.2	108.3	P17 T21	P17-R19 PolarHBondContact O-N 3.42Å; R19-T21 PolarHBondContact O-N 3.42Å
20	Q	74.5	Confident	74.6	Confident	179 Å²	179	134.4 Å²	134.4	84%	0.836	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-64.1	127.7	171.2	-69.6	179.5	-40.5	0	0	108.3	R18	R18-Q20 PolarHBondContact O-N 3.07Å
21	T	80.2	Confident	75.8	Confident	72 Å²	72	135.5 Å²	135.5	44%	0.442	71%	0.714	S	S	.	*	P	Polyproline II helix	trans	-82.5	165.6	177	64.5	0	0	0	0	110.6	R19 E23 D24 A25	R19-T21 PolarHBondContact O-N 3.42Å; T21-E23 VanDerWaalsContact C-N 3.27Å; T21-D24 PolarHBondContact N-OD2 3.09Å; T21-D24 PolarHBondContact O-N 3.44Å; T21-D24 PolarHBondContact OG1-N 3.32Å; T21-D24 VanDerWaalsContact OG1-N 3.15Å; T21-D24 PolarHBondContact OG1-OD2 3.23Å; T21-A25 PolarHBondContact O-N 3.43Å
22	I	78.8	Confident	77.2	Confident	131 Å²	131	134.2 Å²	134.2	67%	0.672	69%	0.69	S	S	*	*	H	α-helix	trans	-62.9	-39.8	173.5	-57.6	176.6	0	0	0	109.5	D24 A25 Y26	I22-D24 PolarHBondContact O-N 2.95Å; I22-A25 WeakPolarHBondContact O-CB 3.07Å; I22-A25 PolarHBondContact O-N 3.26Å; I22-Y26 HydrophobicContact CG2-CD2 3.74Å; I22-Y26 HydrophobicContact CG2-CE2 3.42Å; I22-Y26 VanDerWaalsContact CG2-CE2 3.42Å; I22-Y26 WeakPolarHBondContact O-CD2 3.46Å; I22-Y26 PolarHBondContact O-N 3.4Å
23	E	80.2	Confident	78.4	Confident	159 Å²	159	130 Å²	130	74%	0.743	66%	0.663	S	S	*	*	H	α-helix	trans	-55.3	-46.5	172.1	-117.1	90.6	-162.4	0	0	112.4	T21 A25 Y26 S27	T21-E23 VanDerWaalsContact C-N 3.27Å; E23-A25 PolarHBondContact O-N 3.2Å; E23-Y26 CarbonylContact O-C 3.59Å; E23-Y26 PolarHBondContact O-N 3.22Å; E23-Y26 VanDerWaalsContact O-N 3.07Å; E23-S27 PolarHBondContact O-N 3.32Å
24	D	76.3	Confident	79.3	Confident	91 Å²	91	126.7 Å²	126.7	49%	0.487	65%	0.647	S	S	.	*	H	α-helix	trans	-61.8	-36.1	-179.9	-64.2	-47.7	0	0	0	111.6	T21 I22 Y26 S27	T21-D24 PolarHBondContact N-OD2 3.09Å; T21-D24 PolarHBondContact O-N 3.44Å; T21-D24 PolarHBondContact OG1-N 3.32Å; T21-D24 VanDerWaalsContact OG1-N 3.15Å; T21-D24 PolarHBondContact OG1-OD2 3.23Å; I22-D24 PolarHBondContact O-N 2.95Å; D24-Y26 VanDerWaalsContact C-N 3.25Å; D24-Y26 PolarHBondContact O-N 3.27Å; D24-S27 PolarHBondContact O-N 3.43Å
25	A	76.1	Confident	80.2	Confident	76 Å²	76	115.5 Å²	115.5	63%	0.628	61%	0.605	S	S	*	*	H	α-helix	trans	-68.9	-24	178	0	0	0	0	0	113	T21 I22 E23	T21-A25 PolarHBondContact O-N 3.43Å; I22-A25 WeakPolarHBondContact O-CB 3.07Å; I22-A25 PolarHBondContact O-N 3.26Å; E23-A25 PolarHBondContact O-N 3.2Å
26	Y	77.8	Confident	81.4	Confident	191 Å²	191	112.3 Å²	112.3	75%	0.749	59%	0.589	S	S	*	*	H	α-helix	trans	-107.1	3.6	177.9	-63.2	-64.5	0	0	0	113.7	I22 E23 D24	I22-Y26 HydrophobicContact CG2-CD2 3.74Å; I22-Y26 HydrophobicContact CG2-CE2 3.42Å; I22-Y26 VanDerWaalsContact CG2-CE2 3.42Å; I22-Y26 WeakPolarHBondContact O-CD2 3.46Å; I22-Y26 PolarHBondContact O-N 3.4Å; E23-Y26 CarbonylContact O-C 3.59Å; E23-Y26 PolarHBondContact O-N 3.22Å; E23-Y26 VanDerWaalsContact O-N 3.07Å; D24-Y26 VanDerWaalsContact C-N 3.25Å; D24-Y26 PolarHBondContact O-N 3.27Å
27	S	73.8	Confident	82.3	Confident	73 Å²	73	105.8 Å²	105.8	51%	0.51	55%	0.55	S	S	.	.	S	Bend	trans	-68.3	145.4	175.1	-167.8	0	0	0	0	110.2	E23 D24	E23-S27 PolarHBondContact O-N 3.32Å; D24-S27 PolarHBondContact O-N 3.43Å
28	P	68.8	Low	83.6	Confident	103 Å²	103	102 Å²	102	67%	0.669	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-51.1	143.6	171.4	-25.5	33.9	0	0	0	111.2	A30	P28-A30 PolarHBondContact O-N 3.41Å
29	P	69	Low	84.7	Confident	96 Å²	96	95.4 Å²	95.4	62%	0.623	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-50.4	138.8	178.8	-26.4	33.1	0	0	0	112	N31 N60	P29-N31 VanDerWaalsContact C-N 3.26Å; P29-N31 PolarHBondContact O-N 3.41Å; P29-N31 VanDerWaalsContact O-N 3.11Å; P29-N60 PolarHBondContact O-ND2 3.31Å
30	A	75.3	Confident	85.6	Confident	94 Å²	94	86.7 Å²	86.7	78%	0.777	48%	0.481	S	S	*	.	S	Bend	trans	-51.8	-42.2	-169.9	0	0	0	0	0	113.3	P28	P28-A30 PolarHBondContact O-N 3.41Å
31	N	88.9	Confident	86.7	Confident	102 Å²	102	82.5 Å²	82.5	55%	0.545	46%	0.463	S	S	.	.			trans	-159.7	145.9	171	-75	-55.9	0	0	0	110	P29 N60 L61	P29-N31 VanDerWaalsContact C-N 3.26Å; P29-N31 PolarHBondContact O-N 3.41Å; P29-N31 VanDerWaalsContact O-N 3.11Å; N31-N60 VanDerWaalsContact CA-OD1 3.24Å; N31-N60 WeakPolarHBondContact CA-OD1 3.24Å; N31-L61 HydrophobicContact CB-CD2 3.66Å
32	F	94.5	Very high	87.5	Confident	68 Å²	68	82 Å²	82	30%	0.298	46%	0.461	S	S	.	.			trans	-142.6	151.4	173.1	74.9	-89.7	0	0	0	111.5	E34 R58 T59 N60	F32-E34 HydrophobicContact CD2-CG 4.16Å; F32-R58 HydrophobicContact CE2-CB 4.26Å; F32-R58 HydrophobicContact CE2-CG 3.82Å; F32-R58 WeakPolarHBondContact CE2-O 3.31Å; F32-R58 HydrophobicContact CZ-CG 4.21Å; F32-T59 WeakPolarHBondContact O-CA 3.21Å; F32-T59 WeakPolarHBondContact O-CB 3.4Å; F32-T59 PolarHBondContact O-OG1 3.19Å; F32-N60 HydrophobicContact CD1-CB 4.12Å; F32-N60 HydrophobicContact CE1-CB 3.76Å; F32-N60 HydrophobicContact CZ-CB 4.46Å; F32-N60 PolarHBondContact N-OD1 3.11Å; F32-N60 PolarHBondContact O-N 3.02Å; F32-N60 PolarHBondContact O-OD1 3.23Å
33	L	96.3	Very high	88.2	Confident	39 Å²	39	78.8 Å²	78.8	20%	0.204	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	112.5	173.5	174.9	61.7	0	0	0	107.4	I35 L57 T59 L61 F64 A134	L33-I35 HydrophobicContact CD1-CD1 4.24Å; L33-I35 HydrophobicContact CD1-CG1 4.1Å; L33-I35 HydrophobicContact CG-CD1 4.4Å; L33-I35 HydrophobicContact CG-CG1 4.35Å; L33-L57 HydrophobicContact CD1-CD1 3.9Å; L33-L57 HydrophobicContact CD1-CG 4.06Å; L33-T59 HydrophobicContact CD1-CG2 4.37Å; L33-L61 HydrophobicContact CB-CD1 3.91Å; L33-L61 HydrophobicContact CD2-CD1 4.24Å; L33-F64 HydrophobicContact CD1-CD2 4.38Å; L33-F64 HydrophobicContact CD1-CE2 3.81Å; L33-F64 HydrophobicContact CD1-CZ 4.15Å; L33-F64 HydrophobicContact CD2-CE2 3.93Å; L33-F64 HydrophobicContact CD2-CZ 4.07Å; L33-F64 HydrophobicContact CG-CE2 4.49Å; L33-A134 HydrophobicContact CD2-CB 3.88Å; L33-A134 WeakPolarHBondContact CD2-O 3.39Å
34	E	97.5	Very high	88.7	Confident	80 Å²	80	77 Å²	77	37%	0.374	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.4	179.4	-66.8	166.8	171.9	0	0	107.6	F32 L57 R58	F32-E34 HydrophobicContact CD2-CG 4.16Å; E34-L57 CarbonylContact O-C 3.59Å; E34-L57 WeakPolarHBondContact O-CA 3.36Å; E34-R58 PolarHBondContact N-O 2.93Å; E34-R58 PolarHBondContact O-N 3.19Å; E34-R58 IonicContact OE1-NH2 3.57Å; E34-R58 IonicContact OE2-CZ 3.17Å; E34-R58 IonicContact OE2-NE 2.91Å; E34-R58 PolarHBondContact OE2-NE 3.32Å; E34-R58 IonicContact OE2-NH2 2.66Å; E34-R58 PolarHBondContact OE2-NH2 3.15Å
35	I	98.7	Very high	89.1	Confident	2 Å²	2	78.7 Å²	78.7	1%	0.01	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	119.2	176.2	-55.4	176.9	0	0	0	108.3	L33 V55 S56 L57 I130 N131 A134 L149	L33-I35 HydrophobicContact CD1-CD1 4.24Å; L33-I35 HydrophobicContact CD1-CG1 4.1Å; L33-I35 HydrophobicContact CG-CD1 4.4Å; L33-I35 HydrophobicContact CG-CG1 4.35Å; I35-V55 HydrophobicContact CG2-CG1 3.79Å; I35-S56 CarbonylContact C-O 3.51Å; I35-S56 VanDerWaalsContact CA-O 3.29Å; I35-S56 WeakPolarHBondContact CA-O 3.42Å; I35-L57 HydrophobicContact CD1-CD1 4.14Å; I35-L57 HydrophobicContact CG1-CB 4.32Å; I35-L57 HydrophobicContact CG1-CD1 4.16Å; I35-L57 HydrophobicContact CG1-CG 4.24Å; I35-I130 HydrophobicContact CB-CG2 4.49Å; I35-I130 HydrophobicContact CD1-CG1 4.3Å; I35-I130 HydrophobicContact CG2-CG1 4.24Å; I35-I130 HydrophobicContact CG2-CG2 3.76Å; I35-N131 PolarHBondContact O-ND2 3.03Å; I35-N131 PolarHBondContact O-OD1 3.31Å; I35-A134 HydrophobicContact CD1-CB 3.34Å; I35-L149 HydrophobicContact CD1-CD1 3.98Å; I35-L149 HydrophobicContact CD1-CD2 3.97Å; I35-L149 HydrophobicContact CG2-CD2 4.34Å
36	D	98.7	Very high	89.4	Confident	91 Å²	91	78.8 Å²	78.8	49%	0.487	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141.4	174.9	-63.4	-53.9	0	0	0	109.7	V55 S56	D36-V55 WeakPolarHBondContact O-CA 3.48Å; D36-S56 PolarHBondContact N-O 3.44Å; D36-S56 PolarHBondContact O-N 3.14Å
37	V	98.8	Very high	89.5	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	107.1	170	-177.7	0	0	0	0	107.2	Y53 E54 V55 F78 R123 L126 E127 I130	V37-Y53 HydrophobicContact CG1-CD1 4.23Å; V37-Y53 HydrophobicContact CG1-CG 4.02Å; V37-E54 CarbonylContact C-O 3.52Å; V37-E54 VanDerWaalsContact CA-O 3.31Å; V37-E54 WeakPolarHBondContact CA-O 3.29Å; V37-V55 HydrophobicContact CG2-CG1 4.46Å; V37-V55 HydrophobicContact CG2-CG2 4.29Å; V37-F78 HydrophobicContact CG1-CZ 4.43Å; V37-F78 HydrophobicContact CG2-CZ 4.33Å; V37-R123 HydrophobicContact CB-CG 4.48Å; V37-R123 HydrophobicContact CG1-CG 4.09Å; V37-R123 WeakPolarHBondContact O-CD 3.26Å; V37-R123 WeakPolarHBondContact O-CG 3.49Å; V37-R123 PolarHBondContact O-NH1 3.39Å; V37-L126 HydrophobicContact CG1-CB 4.34Å; V37-E127 HydrophobicContact CB-CB 3.97Å; V37-E127 HydrophobicContact CB-CG 4.45Å; V37-E127 HydrophobicContact CG2-CB 4.05Å; V37-E127 HydrophobicContact CG2-CG 4.46Å; V37-E127 PolarHBondContact N-OE1 3.39Å; V37-I130 HydrophobicContact CG2-CG2 3.81Å
38	C	98.1	Very high	90.1	Very high	36 Å²	36	81.6 Å²	81.6	24%	0.243	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	-172.3	-170.5	65.6	0	0	0	0	111.9	E54	C38-E54 PolarHBondContact N-O 2.8Å; C38-E54 PolarHBondContact O-N 3.48Å
39	N	98	Very high	91.2	Very high	87 Å²	87	83.1 Å²	83.1	47%	0.465	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	45.2	60	171.9	-57.5	-22.9	0	0	0	114	L41 E54 R72	N39-L41 PolarHBondContact O-N 3.32Å; N39-E54 HydrophobicContact CB-CB 3.96Å; N39-E54 PolarHBondContact ND2-OE2 3.26Å; N39-R72 PolarHBondContact O-NH2 3.17Å
40	P	98.1	Very high	92.4	Very high	51 Å²	51	81.5 Å²	81.5	33%	0.331	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	127.3	175.6	26.9	-33.5	0	0	0	109.8	T51 D52 Y53 I119	P40-T51 HydrophobicContact CB-CG2 4.14Å; P40-D52 WeakPolarHBondContact CA-O 3.33Å; P40-Y53 HydrophobicContact CB-CD1 3.97Å; P40-Y53 HydrophobicContact CB-CE1 3.94Å; P40-I119 HydrophobicContact CB-CG2 3.33Å; P40-I119 HydrophobicContact CG-CG2 3.73Å
41	L	97.4	Very high	93.3	Very high	90 Å²	90	77.7 Å²	77.7	47%	0.471	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.7	174.6	-62.9	178.1	0	0	0	109.5	N39 T51 D52 R72	N39-L41 PolarHBondContact O-N 3.32Å; L41-T51 VanDerWaalsContact O-CA 3.27Å; L41-T51 WeakPolarHBondContact O-CA 3.43Å; L41-D52 PolarHBondContact N-O 2.88Å; L41-D52 PolarHBondContact O-N 3.34Å; L41-R72 VanDerWaalsContact CB-NH2 3.31Å; L41-R72 VanDerWaalsContact CD1-CZ 3.45Å; L41-R72 VanDerWaalsContact CG-NH2 3.29Å
42	T	95.5	Very high	93.8	Very high	63 Å²	63	73.5 Å²	73.5	39%	0.387	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.8	173.4	-61.6	0	0	0	0	108.8	F50 T51 F114	T42-F50 CarbonylContact C-O 3.56Å; T42-F50 WeakPolarHBondContact CA-O 3.35Å; T42-T51 PolarHBondContact OG1-OG1 3.12Å; T42-F114 HydrophobicContact CG2-CD1 3.75Å; T42-F114 HydrophobicContact CG2-CE1 4.1Å
43	H	94.7	Very high	94	Very high	63 Å²	63	70.2 Å²	70.2	29%	0.292	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	139.1	176.1	-56	-90	0	0	0	109	R49 F50 D52	H43-R49 VanDerWaalsContact O-CA 3.26Å; H43-R49 WeakPolarHBondContact O-CA 3.42Å; H43-F50 HydrophobicContact CB-CD1 4.37Å; H43-F50 HydrophobicContact CB-CD2 4.26Å; H43-F50 HydrophobicContact CB-CE1 3.92Å; H43-F50 HydrophobicContact CB-CE2 3.82Å; H43-F50 HydrophobicContact CB-CZ 3.63Å; H43-F50 AromaticContact CD2-CD2 3.75Å; H43-F50 AromaticContact CD2-CE2 3.23Å; H43-F50 WeakPolarHBondContact CD2-CE2 3.35Å; H43-F50 AromaticContact CD2-CZ 3.86Å; H43-F50 AromaticContact CG-CE2 3.64Å; H43-F50 AromaticContact CG-CZ 3.77Å; H43-F50 PolarHBondContact N-O 3.42Å; H43-F50 PolarHBondContact O-N 3.23Å; H43-F50 VanDerWaalsContact O-N 3.08Å; H43-D52 IonicContact CD2-OD1 3.19Å; H43-D52 IonicContact CD2-OD2 3.99Å; H43-D52 IonicContact CE1-OD1 2.64Å; H43-D52 IonicContact CE1-OD2 3.2Å; H43-D52 IonicContact NE2-OD1 2.85Å; H43-D52 PolarHBondContact NE2-OD1 3.25Å; H43-D52 IonicContact NE2-OD2 3.84Å; H43-D52 PolarHBondContact NE2-OD2 2.91Å
44	E	91	Very high	94.1	Very high	120 Å²	120	70.5 Å²	70.5	56%	0.561	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	108.8	169.2	-52.8	-161	165.5	0	0	107.9	R49	E44-R49 HydrophobicContact CB-CG 4.22Å; E44-R49 VanDerWaalsContact CD-NH2 3.31Å; E44-R49 HydrophobicContact CG-CG 3.92Å; E44-R49 IonicContact OE1-CZ 3.22Å; E44-R49 IonicContact OE1-NE 2.98Å; E44-R49 PolarHBondContact OE1-NE 2.78Å; E44-R49 VanDerWaalsContact OE1-NE 3.16Å; E44-R49 IonicContact OE1-NH1 3.6Å; E44-R49 PolarHBondContact OE1-NH1 2.78Å; E44-R49 IonicContact OE1-NH2 3.29Å; E44-R49 PolarHBondContact OE1-NH2 3.07Å; E44-R49 IonicContact OE2-CZ 2.79Å; E44-R49 VanDerWaalsContact OE2-CZ 3.25Å; E44-R49 IonicContact OE2-NE 2.9Å; E44-R49 PolarHBondContact OE2-NE 3.32Å; E44-R49 IonicContact OE2-NH2 2.97Å; E44-R49 PolarHBondContact OE2-NH2 2.81Å
45	D	84	Confident	94.1	Very high	128 Å²	128	66.8 Å²	66.8	68%	0.684	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	90.6	176.4	-173.7	18.4	0	0	0	109	K47 D48	D45-K47 PolarHBondContact O-N 2.67Å; D45-D48 PolarHBondContact N-O 2.88Å; D45-D48 PolarHBondContact O-N 2.94Å
46	G	83	Confident	94.1	Very high	78 Å²	78	68 Å²	68	80%	0.804	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	-102	-176	0	0	0	0	0	112.4
47	K	80.4	Confident	94.1	Very high	203 Å²	203	63.9 Å²	63.9	88%	0.883	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-19.7	-179	-164.2	175.8	-179.3	-178.8	0	113	D45	D45-K47 PolarHBondContact O-N 2.67Å
48	D	86.4	Confident	94.1	Very high	119 Å²	119	69.7 Å²	69.7	64%	0.636	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.6	-175.2	-77.7	-17.8	0	0	0	110.9	D45	D45-D48 PolarHBondContact N-O 2.88Å; D45-D48 PolarHBondContact O-N 2.94Å
49	R	91	Very high	94.1	Very high	135 Å²	135	68.1 Å²	68.1	51%	0.509	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.1	175.7	-59.6	-174	178.5	-174.7	-13.5	109.7	H43 E44 F114	H43-R49 VanDerWaalsContact O-CA 3.26Å; H43-R49 WeakPolarHBondContact O-CA 3.42Å; E44-R49 HydrophobicContact CB-CG 4.22Å; E44-R49 VanDerWaalsContact CD-NH2 3.31Å; E44-R49 HydrophobicContact CG-CG 3.92Å; E44-R49 IonicContact OE1-CZ 3.22Å; E44-R49 IonicContact OE1-NE 2.98Å; E44-R49 PolarHBondContact OE1-NE 2.78Å; E44-R49 VanDerWaalsContact OE1-NE 3.16Å; E44-R49 IonicContact OE1-NH1 3.6Å; E44-R49 PolarHBondContact OE1-NH1 2.78Å; E44-R49 IonicContact OE1-NH2 3.29Å; E44-R49 PolarHBondContact OE1-NH2 3.07Å; E44-R49 IonicContact OE2-CZ 2.79Å; E44-R49 VanDerWaalsContact OE2-CZ 3.25Å; E44-R49 IonicContact OE2-NE 2.9Å; E44-R49 PolarHBondContact OE2-NE 3.32Å; E44-R49 IonicContact OE2-NH2 2.97Å; E44-R49 PolarHBondContact OE2-NH2 2.81Å; R49-F114 HydrophobicContact CB-CE1 3.83Å; R49-F114 HydrophobicContact CB-CE2 4.24Å; R49-F114 HydrophobicContact CB-CZ 3.52Å; R49-F114 WeakPolarHBondContact O-CZ 3.49Å
50	F	93.4	Very high	93.9	Very high	63 Å²	63	66.3 Å²	66.3	28%	0.276	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	152	176.6	63.5	-93.9	0	0	0	111.4	T42 H43 R74	T42-F50 CarbonylContact C-O 3.56Å; T42-F50 WeakPolarHBondContact CA-O 3.35Å; H43-F50 HydrophobicContact CB-CD1 4.37Å; H43-F50 HydrophobicContact CB-CD2 4.26Å; H43-F50 HydrophobicContact CB-CE1 3.92Å; H43-F50 HydrophobicContact CB-CE2 3.82Å; H43-F50 HydrophobicContact CB-CZ 3.63Å; H43-F50 AromaticContact CD2-CD2 3.75Å; H43-F50 AromaticContact CD2-CE2 3.23Å; H43-F50 WeakPolarHBondContact CD2-CE2 3.35Å; H43-F50 AromaticContact CD2-CZ 3.86Å; H43-F50 AromaticContact CG-CE2 3.64Å; H43-F50 AromaticContact CG-CZ 3.77Å; H43-F50 PolarHBondContact N-O 3.42Å; H43-F50 PolarHBondContact O-N 3.23Å; H43-F50 VanDerWaalsContact O-N 3.08Å; F50-R74 HydrophobicContact CD2-CG 3.84Å; F50-R74 HydrophobicContact CE2-CG 4.23Å
51	T	96	Very high	93.7	Very high	14 Å²	14	65.3 Å²	65.3	9%	0.086	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.4	173.8	-48.5	0	0	0	0	109.4	P40 L41 T42 I119	P40-T51 HydrophobicContact CB-CG2 4.14Å; L41-T51 VanDerWaalsContact O-CA 3.27Å; L41-T51 WeakPolarHBondContact O-CA 3.43Å; T42-T51 PolarHBondContact OG1-OG1 3.12Å; T51-I119 HydrophobicContact CG2-CD1 4.19Å; T51-I119 HydrophobicContact CG2-CG1 4.35Å; T51-I119 HydrophobicContact CG2-CG2 4.27Å
52	D	97.6	Very high	93.6	Very high	13 Å²	13	67 Å²	67	7%	0.07	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	165.4	167.1	70.8	0.1	0	0	0	110.7	P40 L41 H43 R72 R73 R74	P40-D52 WeakPolarHBondContact CA-O 3.33Å; L41-D52 PolarHBondContact N-O 2.88Å; L41-D52 PolarHBondContact O-N 3.34Å; H43-D52 IonicContact CD2-OD1 3.19Å; H43-D52 IonicContact CD2-OD2 3.99Å; H43-D52 IonicContact CE1-OD1 2.64Å; H43-D52 IonicContact CE1-OD2 3.2Å; H43-D52 IonicContact NE2-OD1 2.85Å; H43-D52 PolarHBondContact NE2-OD1 3.25Å; H43-D52 IonicContact NE2-OD2 3.84Å; H43-D52 PolarHBondContact NE2-OD2 2.91Å; D52-R72 PolarHBondContact O-NH2 3.07Å; D52-R72 IonicContact OD1-CZ 2.8Å; D52-R72 IonicContact OD1-NE 3.06Å; D52-R72 PolarHBondContact OD1-NE 2.81Å; D52-R72 IonicContact OD1-NH2 2.96Å; D52-R72 PolarHBondContact OD1-NH2 2.99Å; D52-R72 WeakPolarHBondContact OD2-CB 3.2Å; D52-R72 IonicContact OD2-CZ 3.92Å; D52-R72 IonicContact OD2-NE 2.98Å; D52-R72 PolarHBondContact OD2-NE 3.41Å; D52-R73 WeakPolarHBondContact CA-O 3.48Å; D52-R74 HydrophobicContact CB-CG 3.75Å
53	Y	98.7	Very high	93.6	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.6	-177.3	-53.6	-95.2	0	0	0	108.3	V37 P40 R72 R73 I119 R122 R123 L126	V37-Y53 HydrophobicContact CG1-CD1 4.23Å; V37-Y53 HydrophobicContact CG1-CG 4.02Å; P40-Y53 HydrophobicContact CB-CD1 3.97Å; P40-Y53 HydrophobicContact CB-CE1 3.94Å; Y53-R72 CarbonylContact O-C 3.58Å; Y53-R72 VanDerWaalsContact O-CA 3.29Å; Y53-R72 WeakPolarHBondContact O-CA 3.48Å; Y53-R73 PolarHBondContact N-O 2.72Å; Y53-R73 PolarHBondContact O-N 3.31Å; Y53-I119 HydrophobicContact CE1-CG2 4.07Å; Y53-R122 WeakPolarHBondContact OH-CD 3.49Å; Y53-R123 HydrophobicContact CD1-CB 4.05Å; Y53-R123 HydrophobicContact CD1-CG 3.96Å; Y53-R123 HydrophobicContact CE1-CB 3.83Å; Y53-R123 HydrophobicContact CE1-CG 4.26Å; Y53-L126 HydrophobicContact CD2-CD1 3.71Å; Y53-L126 HydrophobicContact CE2-CD1 3.61Å; Y53-L126 HydrophobicContact CG-CD1 4.29Å
54	E	98.7	Very high	93.6	Very high	45 Å²	45	64.4 Å²	64.4	21%	0.21	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.9	166.8	-168	-179.2	139.7	0	0	108.8	V37 C38 N39 S56 S70	V37-E54 CarbonylContact C-O 3.52Å; V37-E54 VanDerWaalsContact CA-O 3.31Å; V37-E54 WeakPolarHBondContact CA-O 3.29Å; C38-E54 PolarHBondContact N-O 2.8Å; C38-E54 PolarHBondContact O-N 3.48Å; N39-E54 HydrophobicContact CB-CB 3.96Å; N39-E54 PolarHBondContact ND2-OE2 3.26Å; E54-S56 PolarHBondContact OE1-OG 3.5Å; E54-S70 WeakPolarHBondContact CG-OG 3.37Å; E54-S70 PolarHBondContact OE1-OG 2.99Å; E54-S70 VanDerWaalsContact OE1-OG 3.09Å
55	V	98.8	Very high	93.9	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.006	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	108.6	174	-174.9	0	0	0	0	106.9	I35 D36 V37 S70 V71 R73 F78 L149	I35-V55 HydrophobicContact CG2-CG1 3.79Å; D36-V55 WeakPolarHBondContact O-CA 3.48Å; V37-V55 HydrophobicContact CG2-CG1 4.46Å; V37-V55 HydrophobicContact CG2-CG2 4.29Å; V55-S70 WeakPolarHBondContact O-CA 3.39Å; V55-V71 HydrophobicContact CB-CG2 4.03Å; V55-V71 PolarHBondContact N-O 3.02Å; V55-V71 PolarHBondContact O-N 2.86Å; V55-R73 HydrophobicContact CG2-CB 4.01Å; V55-R73 HydrophobicContact CG2-CG 3.92Å; V55-F78 HydrophobicContact CG2-CE2 4.35Å; V55-F78 HydrophobicContact CG2-CZ 3.77Å; V55-L149 HydrophobicContact CG1-CD2 3.91Å
56	S	98.7	Very high	94.5	Very high	27 Å²	27	61.9 Å²	61.9	19%	0.189	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.9	-175.6	-70	0	0	0	0	109.4	I35 D36 E54 S69 S70	I35-S56 CarbonylContact C-O 3.51Å; I35-S56 VanDerWaalsContact CA-O 3.29Å; I35-S56 WeakPolarHBondContact CA-O 3.42Å; D36-S56 PolarHBondContact N-O 3.44Å; D36-S56 PolarHBondContact O-N 3.14Å; E54-S56 PolarHBondContact OE1-OG 3.5Å; S56-S69 CarbonylContact C-O 3.56Å; S56-S69 WeakPolarHBondContact CA-O 3.5Å; S56-S70 PolarHBondContact OG-OG 2.87Å
57	L	98.7	Very high	95.1	Very high	6 Å²	6	65.5 Å²	65.5	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.6	-177.4	173.1	153.1	0	0	0	109.7	L33 E34 I35 T59 F64 E68 S69 L149	L33-L57 HydrophobicContact CD1-CD1 3.9Å; L33-L57 HydrophobicContact CD1-CG 4.06Å; E34-L57 CarbonylContact O-C 3.59Å; E34-L57 WeakPolarHBondContact O-CA 3.36Å; I35-L57 HydrophobicContact CD1-CD1 4.14Å; I35-L57 HydrophobicContact CG1-CB 4.32Å; I35-L57 HydrophobicContact CG1-CD1 4.16Å; I35-L57 HydrophobicContact CG1-CG 4.24Å; L57-T59 HydrophobicContact CD2-CG2 3.66Å; L57-F64 HydrophobicContact CD1-CD1 4.17Å; L57-F64 HydrophobicContact CD1-CE1 4.1Å; L57-F64 HydrophobicContact CD1-CZ 4.49Å; L57-E68 VanDerWaalsContact O-CA 3.26Å; L57-E68 WeakPolarHBondContact O-CA 3.23Å; L57-S69 PolarHBondContact N-O 3.24Å; L57-S69 PolarHBondContact O-N 3.36Å; L57-L149 HydrophobicContact CD1-CB 4.09Å; L57-L149 HydrophobicContact CD1-CD1 3.81Å; L57-L149 HydrophobicContact CD1-CD2 4.42Å; L57-L149 HydrophobicContact CD1-CG 4.32Å
58	R	98.3	Very high	96	Very high	122 Å²	122	62.6 Å²	62.6	46%	0.46	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	126.8	168	-164.6	176.2	64.2	170.9	0.5	110	F32 E34 K67 E68	F32-R58 HydrophobicContact CE2-CB 4.26Å; F32-R58 HydrophobicContact CE2-CG 3.82Å; F32-R58 WeakPolarHBondContact CE2-O 3.31Å; F32-R58 HydrophobicContact CZ-CG 4.21Å; E34-R58 PolarHBondContact N-O 2.93Å; E34-R58 PolarHBondContact O-N 3.19Å; E34-R58 IonicContact OE1-NH2 3.57Å; E34-R58 IonicContact OE2-CZ 3.17Å; E34-R58 IonicContact OE2-NE 2.91Å; E34-R58 PolarHBondContact OE2-NE 3.32Å; E34-R58 IonicContact OE2-NH2 2.66Å; E34-R58 PolarHBondContact OE2-NH2 3.15Å; R58-K67 CarbonylContact C-O 3.46Å; R58-K67 WeakPolarHBondContact CA-O 3.48Å; R58-E68 HydrophobicContact CB-CG 4.45Å; R58-E68 HydrophobicContact CG-CG 3.9Å
59	T	97.1	Very high	96.6	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.018	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	154.5	-177.8	-168.4	0	0	0	0	112.7	F32 L33 L57 L61 F64 K67	F32-T59 WeakPolarHBondContact O-CA 3.21Å; F32-T59 WeakPolarHBondContact O-CB 3.4Å; F32-T59 PolarHBondContact O-OG1 3.19Å; L33-T59 HydrophobicContact CD1-CG2 4.37Å; L57-T59 HydrophobicContact CD2-CG2 3.66Å; T59-L61 WeakPolarHBondContact OG1-CB 3.38Å; T59-L61 WeakPolarHBondContact OG1-CG 3.29Å; T59-L61 PolarHBondContact OG1-N 3.12Å; T59-F64 HydrophobicContact CG2-CB 3.83Å; T59-F64 HydrophobicContact CG2-CD2 3.71Å; T59-F64 HydrophobicContact CG2-CG 3.99Å; T59-K67 PolarHBondContact N-O 3.09Å; T59-K67 WeakPolarHBondContact O-CA 3.27Å; T59-K67 VanDerWaalsContact O-CB 3.31Å; T59-K67 WeakPolarHBondContact O-CB 3.41Å
60	N	94.4	Very high	96.9	Very high	49 Å²	49	54.6 Å²	54.6	26%	0.262	29%	0.29	S	S	.	.			trans	-105.6	2.5	164.6	67.5	-10.7	0	0	0	113	P29 N31 F32	P29-N60 PolarHBondContact O-ND2 3.31Å; N31-N60 VanDerWaalsContact CA-OD1 3.24Å; N31-N60 WeakPolarHBondContact CA-OD1 3.24Å; F32-N60 HydrophobicContact CD1-CB 4.12Å; F32-N60 HydrophobicContact CE1-CB 3.76Å; F32-N60 HydrophobicContact CZ-CB 4.46Å; F32-N60 PolarHBondContact N-OD1 3.11Å; F32-N60 PolarHBondContact O-N 3.02Å; F32-N60 PolarHBondContact O-OD1 3.23Å
61	L	94.9	Very high	97.1	Very high	29 Å²	29	51.9 Å²	51.9	15%	0.152	28%	0.279	C	S	.	.			trans	-68.4	128.9	-178.8	-69.2	172.3	0	0	0	110.6	N31 L33 T59 I63 F64	N31-L61 HydrophobicContact CB-CD2 3.66Å; L33-L61 HydrophobicContact CB-CD1 3.91Å; L33-L61 HydrophobicContact CD2-CD1 4.24Å; T59-L61 WeakPolarHBondContact OG1-CB 3.38Å; T59-L61 WeakPolarHBondContact OG1-CG 3.29Å; T59-L61 PolarHBondContact OG1-N 3.12Å; L61-I63 HydrophobicContact CB-CG2 4.16Å; L61-I63 PolarHBondContact O-N 3.44Å; L61-I63 VanDerWaalsContact O-N 3.17Å; L61-F64 HydrophobicContact CB-CD2 3.99Å; L61-F64 HydrophobicContact CB-CE2 4.42Å; L61-F64 HydrophobicContact CD1-CD2 4.4Å; L61-F64 HydrophobicContact CD1-CE2 4.01Å; L61-F64 PolarHBondContact O-N 3.46Å
62	P	93.6	Very high	97.2	Very high	125 Å²	125	54.8 Å²	54.8	81%	0.812	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.4	-176	29.6	-36.5	0	0	0	114.1	F64	P62-F64 VanDerWaalsContact C-N 3.26Å; P62-F64 PolarHBondContact O-N 3.25Å
63	I	95.4	Very high	97.3	Very high	63 Å²	63	54.5 Å²	54.5	32%	0.323	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.5	177.5	-164.1	152.4	0	0	0	112.4	L61 Q140 H146	L61-I63 HydrophobicContact CB-CG2 4.16Å; L61-I63 PolarHBondContact O-N 3.44Å; L61-I63 VanDerWaalsContact O-N 3.17Å; I63-Q140 HydrophobicContact CD1-CB 3.75Å; I63-Q140 VanDerWaalsContact CD1-O 3.29Å; I63-Q140 WeakPolarHBondContact CD1-O 3.43Å; I63-Q140 HydrophobicContact CG1-CB 4.46Å; I63-Q140 HydrophobicContact CG2-CB 4.41Å; I63-H146 PolarHBondContact O-CE1 3.4Å
64	F	96.4	Very high	97.2	Very high	10 Å²	10	58.8 Å²	58.8	4%	0.044	30%	0.302	C	S	.	.	S	Bend	trans	-93.4	130.1	175.6	-66.8	-76.2	0	0	0	109.8	L33 L57 T59 L61 P62 H66 H146 L149	L33-F64 HydrophobicContact CD1-CD2 4.38Å; L33-F64 HydrophobicContact CD1-CE2 3.81Å; L33-F64 HydrophobicContact CD1-CZ 4.15Å; L33-F64 HydrophobicContact CD2-CE2 3.93Å; L33-F64 HydrophobicContact CD2-CZ 4.07Å; L33-F64 HydrophobicContact CG-CE2 4.49Å; L57-F64 HydrophobicContact CD1-CD1 4.17Å; L57-F64 HydrophobicContact CD1-CE1 4.1Å; L57-F64 HydrophobicContact CD1-CZ 4.49Å; T59-F64 HydrophobicContact CG2-CB 3.83Å; T59-F64 HydrophobicContact CG2-CD2 3.71Å; T59-F64 HydrophobicContact CG2-CG 3.99Å; L61-F64 HydrophobicContact CB-CD2 3.99Å; L61-F64 HydrophobicContact CB-CE2 4.42Å; L61-F64 HydrophobicContact CD1-CD2 4.4Å; L61-F64 HydrophobicContact CD1-CE2 4.01Å; L61-F64 PolarHBondContact O-N 3.46Å; P62-F64 VanDerWaalsContact C-N 3.26Å; P62-F64 PolarHBondContact O-N 3.25Å; F64-H66 VanDerWaalsContact C-N 3.29Å; F64-H66 PolarHBondContact O-N 3.22Å; F64-H146 AromaticContact CD1-CE1 3.73Å; F64-H146 AromaticContact CD1-ND1 3.48Å; F64-H146 WeakPolarHBondContact CD1-ND1 3.27Å; F64-H146 AromaticContact CE1-CE1 3.82Å; F64-H146 AromaticContact CE1-ND1 3.76Å; F64-L149 HydrophobicContact CE1-CD1 3.83Å; F64-L149 HydrophobicContact CZ-CD1 4.41Å
65	A	95.4	Very high	97.1	Very high	87 Å²	87	58.2 Å²	58.2	72%	0.719	30%	0.298	S	S	*	.	S	Bend	trans	-65.8	-34.9	-176.6	0	0	0	0	0	112.3	Q150	A65-Q150 VanDerWaalsContact N-OE1 3.08Å
66	H	97.3	Very high	96.9	Very high	108 Å²	108	60.6 Å²	60.6	50%	0.5	32%	0.315	S	S	.	.			trans	-113	135	176.6	-49.9	86.8	0	0	0	110.3	F64 E68 Q150	F64-H66 VanDerWaalsContact C-N 3.29Å; F64-H66 PolarHBondContact O-N 3.22Å; H66-E68 VanDerWaalsContact C-N 3.28Å; H66-E68 WeakPolarHBondContact CB-O 3.38Å; H66-Q150 PolarHBondContact ND1-OE1 2.66Å; H66-Q150 PolarHBondContact O-NE2 3.43Å
67	K	96.4	Very high	96.8	Very high	154 Å²	154	60.1 Å²	60.1	67%	0.67	31%	0.31	S	S	*	.	S	Bend	trans	-69.9	-29.2	174.9	-67	-172.8	-180	-178.6	0	112.5	R58 T59	R58-K67 CarbonylContact C-O 3.46Å; R58-K67 WeakPolarHBondContact CA-O 3.48Å; T59-K67 PolarHBondContact N-O 3.09Å; T59-K67 WeakPolarHBondContact O-CA 3.27Å; T59-K67 VanDerWaalsContact O-CB 3.31Å; T59-K67 WeakPolarHBondContact O-CB 3.41Å
68	E	98.3	Very high	96.8	Very high	141 Å²	141	59.8 Å²	59.8	66%	0.659	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.6	176.7	-72.9	176.3	-162.8	0	0	109.1	L57 R58 H66	L57-E68 VanDerWaalsContact O-CA 3.26Å; L57-E68 WeakPolarHBondContact O-CA 3.23Å; R58-E68 HydrophobicContact CB-CG 4.45Å; R58-E68 HydrophobicContact CG-CG 3.9Å; H66-E68 VanDerWaalsContact C-N 3.28Å; H66-E68 WeakPolarHBondContact CB-O 3.38Å
69	S	98.4	Very high	96.7	Very high	19 Å²	19	58 Å²	58	13%	0.133	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	147.8	172.6	60.9	0	0	0	0	110.7	S56 L57 L149	S56-S69 CarbonylContact C-O 3.56Å; S56-S69 WeakPolarHBondContact CA-O 3.5Å; L57-S69 PolarHBondContact N-O 3.24Å; L57-S69 PolarHBondContact O-N 3.36Å; S69-L149 PolarHBondContact OG-O 2.83Å
70	S	98.3	Very high	96.7	Very high	67 Å²	67	59.1 Å²	59.1	47%	0.469	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	123.6	172.8	175.9	0	0	0	0	109.1	E54 V55 S56	E54-S70 WeakPolarHBondContact CG-OG 3.37Å; E54-S70 PolarHBondContact OE1-OG 2.99Å; E54-S70 VanDerWaalsContact OE1-OG 3.09Å; V55-S70 WeakPolarHBondContact O-CA 3.39Å; S56-S70 PolarHBondContact OG-OG 2.87Å
71	V	98.6	Very high	96.8	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.042	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.6	-176.8	-64	0	0	0	0	110.7	V55 R73	V55-V71 HydrophobicContact CB-CG2 4.03Å; V55-V71 PolarHBondContact N-O 3.02Å; V55-V71 PolarHBondContact O-N 2.86Å; V71-R73 HydrophobicContact CG2-CG 4.19Å
72	R	98.1	Very high	96.9	Very high	75 Å²	75	58.6 Å²	58.6	28%	0.283	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.8	174.3	-59.4	-160.8	72.8	80.7	9	111.6	N39 L41 D52 Y53	N39-R72 PolarHBondContact O-NH2 3.17Å; L41-R72 VanDerWaalsContact CB-NH2 3.31Å; L41-R72 VanDerWaalsContact CD1-CZ 3.45Å; L41-R72 VanDerWaalsContact CG-NH2 3.29Å; D52-R72 PolarHBondContact O-NH2 3.07Å; D52-R72 IonicContact OD1-CZ 2.8Å; D52-R72 IonicContact OD1-NE 3.06Å; D52-R72 PolarHBondContact OD1-NE 2.81Å; D52-R72 IonicContact OD1-NH2 2.96Å; D52-R72 PolarHBondContact OD1-NH2 2.99Å; D52-R72 WeakPolarHBondContact OD2-CB 3.2Å; D52-R72 IonicContact OD2-CZ 3.92Å; D52-R72 IonicContact OD2-NE 2.98Å; D52-R72 PolarHBondContact OD2-NE 3.41Å; Y53-R72 CarbonylContact O-C 3.58Å; Y53-R72 VanDerWaalsContact O-CA 3.29Å; Y53-R72 WeakPolarHBondContact O-CA 3.48Å
73	R	98.3	Very high	97	Very high	6 Å²	6	54.8 Å²	54.8	2%	0.023	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.7	-175.7	-63.3	-64.4	179.1	-114.2	9.8	112.1	D52 Y53 V55 V71 D77 F78 M147 F148 E151 K152	D52-R73 WeakPolarHBondContact CA-O 3.48Å; Y53-R73 PolarHBondContact N-O 2.72Å; Y53-R73 PolarHBondContact O-N 3.31Å; V55-R73 HydrophobicContact CG2-CB 4.01Å; V55-R73 HydrophobicContact CG2-CG 3.92Å; V71-R73 HydrophobicContact CG2-CG 4.19Å; R73-D77 HydrophobicContact CB-CB 4.46Å; R73-F78 HydrophobicContact CB-CD2 4.2Å; R73-F78 HydrophobicContact CB-CE2 3.65Å; R73-F78 HydrophobicContact CB-CZ 4.37Å; R73-M147 PolarHBondContact NH2-O 3.34Å; R73-M147 VanDerWaalsContact NH2-O 3.14Å; R73-F148 HydrophobicContact CB-CE2 4.11Å; R73-F148 HydrophobicContact CB-CZ 3.94Å; R73-F148 HydrophobicContact CG-CD2 4.4Å; R73-F148 HydrophobicContact CG-CE1 4.22Å; R73-F148 HydrophobicContact CG-CE2 3.74Å; R73-F148 HydrophobicContact CG-CZ 3.63Å; R73-F148 VanDerWaalsContact CZ-O 3.23Å; R73-F148 PolarHBondContact NE-O 3.21Å; R73-F148 PolarHBondContact NH2-O 2.92Å; R73-E151 PolarHBondContact NH2-O 2.79Å; R73-K152 PolarHBondContact NH1-O 3.29Å; R73-K152 VanDerWaalsContact NH1-O 3.08Å
74	R	96.1	Very high	96.9	Very high	91 Å²	91	52.1 Å²	52.1	34%	0.343	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	161	171.6	-62	-177.3	-61.3	177.7	-6.4	110.2	F50 D52 S76 D77 F78	F50-R74 HydrophobicContact CD2-CG 3.84Å; F50-R74 HydrophobicContact CE2-CG 4.23Å; D52-R74 HydrophobicContact CB-CG 3.75Å; R74-S76 PolarHBondContact O-N 3.39Å; R74-D77 WeakPolarHBondContact CB-OD2 3.43Å; R74-D77 PolarHBondContact N-OD2 3.08Å; R74-D77 WeakPolarHBondContact O-CB 3.39Å; R74-D77 PolarHBondContact O-N 2.63Å; R74-F78 WeakPolarHBondContact O-CD2 3.46Å; R74-F78 PolarHBondContact O-N 2.81Å
75	Y	96.7	Very high	96.8	Very high	33 Å²	33	51.7 Å²	51.7	13%	0.129	26%	0.257	C	S	.	.	H	α-helix	trans	-50.1	-36.9	171.6	177.4	-87.6	0	0	0	112.7	D77 F78 K79 L96 P97 K99 L126	Y75-D77 VanDerWaalsContact C-N 3.25Å; Y75-D77 PolarHBondContact O-N 2.97Å; Y75-F78 PolarHBondContact O-N 3.35Å; Y75-K79 PolarHBondContact O-N 2.93Å; Y75-L96 HydrophobicContact CE2-CB 4.43Å; Y75-P97 HydrophobicContact CE2-CG 4.21Å; Y75-P97 WeakPolarHBondContact CE2-O 3.45Å; Y75-P97 PolarHBondContact OH-O 3.03Å; Y75-P97 VanDerWaalsContact OH-O 3.07Å; Y75-K99 HydrophobicContact CE1-CB 4.17Å; Y75-K99 HydrophobicContact CE1-CD 4.24Å; Y75-K99 HydrophobicContact CE1-CG 4.06Å; Y75-L126 HydrophobicContact CD2-CD2 4.11Å
76	S	95	Very high	96.7	Very high	51 Å²	51	51.5 Å²	51.5	36%	0.357	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-30.3	177.4	55.6	0	0	0	0	113.6	R74 K79 W80	R74-S76 PolarHBondContact O-N 3.39Å; S76-K79 PolarHBondContact O-N 2.84Å; S76-W80 PolarHBondContact O-N 3.14Å
77	D	97.9	Very high	96.4	Very high	16 Å²	16	53.9 Å²	53.9	9%	0.086	25%	0.249	C	C	.	.	H	α-helix	trans	-76.2	-37.9	179.1	-55.3	-40.8	0	0	0	110.6	R73 R74 Y75 K79 W80 L81 F148 I154 R156	R73-D77 HydrophobicContact CB-CB 4.46Å; R74-D77 WeakPolarHBondContact CB-OD2 3.43Å; R74-D77 PolarHBondContact N-OD2 3.08Å; R74-D77 WeakPolarHBondContact O-CB 3.39Å; R74-D77 PolarHBondContact O-N 2.63Å; Y75-D77 VanDerWaalsContact C-N 3.25Å; Y75-D77 PolarHBondContact O-N 2.97Å; D77-K79 VanDerWaalsContact C-N 3.33Å; D77-K79 PolarHBondContact O-N 3.46Å; D77-W80 WeakPolarHBondContact O-CB 3.17Å; D77-W80 PolarHBondContact O-N 3.24Å; D77-L81 PolarHBondContact O-N 3.13Å; D77-F148 HydrophobicContact CB-CE2 4.07Å; D77-I154 HydrophobicContact CB-CD1 3.72Å; D77-R156 IonicContact OD1-CZ 2.83Å; D77-R156 IonicContact OD1-NH2 2.79Å; D77-R156 PolarHBondContact OD1-NH2 2.92Å
78	F	98.4	Very high	96	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-39.8	169.7	-73.8	-95.8	0	0	0	111.9	V37 V55 R73 R74 Y75 W80 L81 R82 L96 L126 F129 I130 F148	V37-F78 HydrophobicContact CG1-CZ 4.43Å; V37-F78 HydrophobicContact CG2-CZ 4.33Å; V55-F78 HydrophobicContact CG2-CE2 4.35Å; V55-F78 HydrophobicContact CG2-CZ 3.77Å; R73-F78 HydrophobicContact CB-CD2 4.2Å; R73-F78 HydrophobicContact CB-CE2 3.65Å; R73-F78 HydrophobicContact CB-CZ 4.37Å; R74-F78 WeakPolarHBondContact O-CD2 3.46Å; R74-F78 PolarHBondContact O-N 2.81Å; Y75-F78 PolarHBondContact O-N 3.35Å; F78-W80 VanDerWaalsContact C-N 3.35Å; F78-L81 PolarHBondContact O-N 2.9Å; F78-R82 WeakPolarHBondContact O-CB 3.33Å; F78-R82 PolarHBondContact O-N 2.83Å; F78-L96 HydrophobicContact CB-CD2 3.84Å; F78-L126 HydrophobicContact CB-CD2 3.94Å; F78-L126 HydrophobicContact CD1-CB 4.39Å; F78-L126 HydrophobicContact CD1-CD2 3.86Å; F78-L126 HydrophobicContact CD2-CD1 4.13Å; F78-L126 HydrophobicContact CD2-CD2 3.89Å; F78-L126 HydrophobicContact CD2-CG 4.49Å; F78-L126 HydrophobicContact CE1-CB 3.95Å; F78-L126 HydrophobicContact CE1-CD2 4.25Å; F78-L126 HydrophobicContact CE2-CB 4.43Å; F78-L126 HydrophobicContact CE2-CD1 3.93Å; F78-L126 HydrophobicContact CE2-CD2 4.31Å; F78-L126 HydrophobicContact CE2-CG 4.44Å; F78-L126 HydrophobicContact CG-CD2 3.65Å; F78-L126 HydrophobicContact CZ-CB 3.98Å; F78-L126 HydrophobicContact CZ-CD1 4.3Å; F78-L126 HydrophobicContact CZ-CD2 4.47Å; F78-L126 HydrophobicContact CZ-CG 4.47Å; F78-F129 AromaticContact CD1-CD1 3.87Å; F78-F129 HydrophobicContact CD1-CD1 3.87Å; F78-F129 HydrophobicContact CD1-CE1 4.1Å; F78-I130 HydrophobicContact CE1-CB 4.18Å; F78-F148 HydrophobicContact CD1-CE1 4.18Å; F78-F148 HydrophobicContact CD1-CE2 4.35Å; F78-F148 AromaticContact CD1-CZ 3.54Å; F78-F148 HydrophobicContact CD1-CZ 3.54Å; F78-F148 HydrophobicContact CD2-CE2 4.27Å; F78-F148 AromaticContact CD2-CZ 3.83Å; F78-F148 HydrophobicContact CD2-CZ 3.83Å; F78-F148 AromaticContact CE1-CE1 3.92Å; F78-F148 HydrophobicContact CE1-CE1 3.92Å; F78-F148 AromaticContact CE1-CZ 3.54Å; F78-F148 HydrophobicContact CE1-CZ 3.54Å; F78-F148 AromaticContact CE2-CZ 3.81Å; F78-F148 HydrophobicContact CE2-CZ 3.81Å; F78-F148 HydrophobicContact CG-CE2 4.14Å; F78-F148 AromaticContact CG-CZ 3.69Å; F78-F148 HydrophobicContact CG-CZ 3.69Å; F78-F148 HydrophobicContact CZ-CE1 4.23Å; F78-F148 AromaticContact CZ-CZ 3.67Å; F78-F148 HydrophobicContact CZ-CZ 3.67Å
79	K	96.7	Very high	95.3	Very high	84 Å²	84	44.6 Å²	44.6	37%	0.365	21%	0.21	S	C	.	.	H	α-helix	trans	-60.6	-44.9	172.6	-173.5	-175.6	179.1	-63.9	0	111.5	Y75 S76 D77 R82 D83 L96	Y75-K79 PolarHBondContact O-N 2.93Å; S76-K79 PolarHBondContact O-N 2.84Å; D77-K79 VanDerWaalsContact C-N 3.33Å; D77-K79 PolarHBondContact O-N 3.46Å; K79-R82 PolarHBondContact O-N 2.91Å; K79-D83 IonicContact NZ-OD2 3.67Å; K79-D83 PolarHBondContact NZ-OD2 2.8Å; K79-D83 WeakPolarHBondContact O-CB 3.32Å; K79-D83 PolarHBondContact O-N 3.32Å; K79-L96 HydrophobicContact CB-CD1 4.06Å; K79-L96 HydrophobicContact CG-CD1 4.46Å
80	W	95.9	Very high	94.8	Very high	26 Å²	26	53.5 Å²	53.5	10%	0.098	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-48.1	175.2	165.8	74.4	0	0	0	111.6	S76 D77 F78 R82 D83 E84 C144 M147 F148 I154	S76-W80 PolarHBondContact O-N 3.14Å; D77-W80 WeakPolarHBondContact O-CB 3.17Å; D77-W80 PolarHBondContact O-N 3.24Å; F78-W80 VanDerWaalsContact C-N 3.35Å; W80-R82 PolarHBondContact O-N 3.14Å; W80-D83 PolarHBondContact O-N 3.01Å; W80-E84 PolarHBondContact O-N 3.15Å; W80-C144 HydrophobicContact CH2-CB 3.92Å; W80-C144 HydrophobicContact CZ2-CB 4.26Å; W80-M147 HydrophobicContact CH2-CG 4.42Å; W80-M147 HydrophobicContact CH2-SD 3.84Å; W80-M147 HydrophobicContact CZ2-SD 4.3Å; W80-F148 HydrophobicContact CZ3-CB 4.3Å; W80-F148 HydrophobicContact CZ3-CD2 4.44Å; W80-I154 HydrophobicContact CD2-CG2 4.03Å; W80-I154 HydrophobicContact CE3-CD1 4.02Å; W80-I154 HydrophobicContact CE3-CG2 3.74Å; W80-I154 HydrophobicContact CH2-CG2 3.49Å; W80-I154 VanDerWaalsContact CH2-CG2 3.49Å; W80-I154 HydrophobicContact CZ2-CG2 3.8Å; W80-I154 HydrophobicContact CZ3-CD1 4.02Å; W80-I154 HydrophobicContact CZ3-CG1 4.31Å; W80-I154 HydrophobicContact CZ3-CG2 3.46Å; W80-I154 VanDerWaalsContact CZ3-CG2 3.46Å
81	L	97.2	Very high	94.5	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.8	-47.2	176.7	173.1	63.7	0	0	0	111.6	D77 F78 D83 E84 L85 F129 I130 C144 L145 F148	D77-L81 PolarHBondContact O-N 3.13Å; F78-L81 PolarHBondContact O-N 2.9Å; L81-D83 VanDerWaalsContact C-N 3.29Å; L81-D83 PolarHBondContact O-N 2.88Å; L81-E84 PolarHBondContact O-N 3.46Å; L81-L85 HydrophobicContact CD1-CD1 3.79Å; L81-L85 HydrophobicContact CD1-CG 3.99Å; L81-L85 HydrophobicContact CG-CD1 3.87Å; L81-L85 HydrophobicContact CG-CG 4.47Å; L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 WeakPolarHBondContact O-CG 3.47Å; L81-L85 PolarHBondContact O-N 2.82Å; L81-F129 HydrophobicContact CD2-CE1 4.26Å; L81-I130 HydrophobicContact CD2-CD1 3.67Å; L81-C144 HydrophobicContact CD1-CB 4.28Å; L81-L145 HydrophobicContact CD1-CB 4.47Å; L81-L145 HydrophobicContact CD2-CD1 4.2Å; L81-F148 HydrophobicContact CB-CD2 3.97Å; L81-F148 HydrophobicContact CB-CE2 4.42Å; L81-F148 HydrophobicContact CB-CG 4.3Å; L81-F148 HydrophobicContact CD1-CB 4.21Å; L81-F148 HydrophobicContact CD2-CB 4.03Å; L81-F148 HydrophobicContact CD2-CD1 3.65Å; L81-F148 HydrophobicContact CD2-CD2 4.04Å; L81-F148 HydrophobicContact CD2-CE1 4.1Å; L81-F148 HydrophobicContact CD2-CE2 4.45Å; L81-F148 HydrophobicContact CD2-CG 3.62Å; L81-F148 HydrophobicContact CD2-CZ 4.47Å; L81-F148 HydrophobicContact CG-CG 4.38Å
82	R	96.8	Very high	94.3	Very high	67 Å²	67	57.4 Å²	57.4	25%	0.253	27%	0.266	S	S	.	.	H	α-helix	trans	-55	-46.8	176.4	-179.5	-86.8	162.1	-148.5	-9	111.3	F78 K79 W80 D86 V93 L96 F129	F78-R82 WeakPolarHBondContact O-CB 3.33Å; F78-R82 PolarHBondContact O-N 2.83Å; K79-R82 PolarHBondContact O-N 2.91Å; W80-R82 PolarHBondContact O-N 3.14Å; R82-D86 VanDerWaalsContact CZ-CG 3.4Å; R82-D86 IonicContact CZ-OD1 3.39Å; R82-D86 IonicContact CZ-OD2 2.89Å; R82-D86 VanDerWaalsContact NH1-CG 3.33Å; R82-D86 IonicContact NH1-OD2 2.77Å; R82-D86 PolarHBondContact NH1-OD2 2.88Å; R82-D86 IonicContact NH2-OD1 3.12Å; R82-D86 PolarHBondContact NH2-OD1 2.79Å; R82-D86 IonicContact NH2-OD2 3.92Å; R82-D86 PolarHBondContact NH2-OD2 2.78Å; R82-D86 WeakPolarHBondContact O-CB 3.4Å; R82-D86 PolarHBondContact O-N 2.65Å; R82-V93 HydrophobicContact CB-CG1 4.33Å; R82-V93 HydrophobicContact CG-CG1 3.73Å; R82-L96 HydrophobicContact CB-CD1 3.81Å; R82-L96 HydrophobicContact CB-CG 4.38Å; R82-L96 HydrophobicContact CG-CD1 4.18Å; R82-F129 HydrophobicContact CB-CE2 4.06Å; R82-F129 HydrophobicContact CB-CZ 3.82Å; R82-F129 HydrophobicContact CG-CE2 4.17Å; R82-F129 HydrophobicContact CG-CZ 4.42Å
83	D	95.2	Very high	94.1	Very high	46 Å²	46	54.6 Å²	54.6	25%	0.246	26%	0.257	C	S	.	.	H	α-helix	trans	-71.8	-31	-176.1	-66.6	-21.9	0	0	0	112.3	K79 W80 L81 R87	K79-D83 IonicContact NZ-OD2 3.67Å; K79-D83 PolarHBondContact NZ-OD2 2.8Å; K79-D83 WeakPolarHBondContact O-CB 3.32Å; K79-D83 PolarHBondContact O-N 3.32Å; W80-D83 PolarHBondContact O-N 3.01Å; L81-D83 VanDerWaalsContact C-N 3.29Å; L81-D83 PolarHBondContact O-N 2.88Å; D83-R87 PolarHBondContact O-N 3.34Å
84	E	93.8	Very high	94	Very high	7 Å²	7	55.7 Å²	55.7	3%	0.033	27%	0.265	C	S	.	.	H	α-helix	trans	-72.8	-43.2	175.3	-152.3	62.1	-132.3	0	0	110.9	W80 L81 D86 R87 E88 C144	W80-E84 PolarHBondContact O-N 3.15Å; L81-E84 PolarHBondContact O-N 3.46Å; E84-D86 PolarHBondContact O-N 2.81Å; E84-R87 PolarHBondContact O-N 2.89Å; E84-R87 VanDerWaalsContact O-N 3.16Å; E84-R87 IonicContact OE1-CZ 3.96Å; E84-R87 IonicContact OE1-NH1 3.57Å; E84-R87 PolarHBondContact OE1-NH1 2.86Å; E84-R87 IonicContact OE2-CZ 3.02Å; E84-R87 IonicContact OE2-NH1 3.88Å; E84-R87 PolarHBondContact OE2-NH1 3.43Å; E84-E88 PolarHBondContact O-N 3.03Å; E84-C144 HydrophobicContact CB-CB 4.04Å; E84-C144 HydrophobicContact CG-CB 3.78Å
85	L	94.8	Very high	94	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-39.1	174.9	-71.3	168.9	0	0	0	112.9	L81 R87 S89 I91 V93 V133 A139 E142	L81-L85 HydrophobicContact CD1-CD1 3.79Å; L81-L85 HydrophobicContact CD1-CG 3.99Å; L81-L85 HydrophobicContact CG-CD1 3.87Å; L81-L85 HydrophobicContact CG-CG 4.47Å; L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 WeakPolarHBondContact O-CG 3.47Å; L81-L85 PolarHBondContact O-N 2.82Å; L85-R87 PolarHBondContact O-N 2.9Å; L85-S89 CarbonylContact O-C 3.57Å; L85-S89 WeakPolarHBondContact O-CA 3.36Å; L85-S89 WeakPolarHBondContact O-CB 3.41Å; L85-S89 PolarHBondContact O-N 3.31Å; L85-I91 HydrophobicContact CB-CD1 4.44Å; L85-I91 HydrophobicContact CD2-CD1 4.37Å; L85-V93 HydrophobicContact CB-CG1 4.43Å; L85-V93 HydrophobicContact CB-CG2 3.93Å; L85-V133 HydrophobicContact CD1-CB 4.43Å; L85-V133 HydrophobicContact CD1-CG1 3.35Å; L85-V133 HydrophobicContact CD1-CG2 4.17Å; L85-A139 HydrophobicContact CD2-CB 4.26Å; L85-E142 HydrophobicContact CD2-CB 3.98Å; L85-E142 HydrophobicContact CD2-CG 3.85Å
86	D	93.6	Very high	94	Very high	84 Å²	84	62.9 Å²	62.9	45%	0.449	29%	0.294	S	S	.	.	H	α-helix	trans	-66.5	-22.8	177.8	-165.1	62.5	0	0	0	112.5	R82 E84 V93	R82-D86 VanDerWaalsContact CZ-CG 3.4Å; R82-D86 IonicContact CZ-OD1 3.39Å; R82-D86 IonicContact CZ-OD2 2.89Å; R82-D86 VanDerWaalsContact NH1-CG 3.33Å; R82-D86 IonicContact NH1-OD2 2.77Å; R82-D86 PolarHBondContact NH1-OD2 2.88Å; R82-D86 IonicContact NH2-OD1 3.12Å; R82-D86 PolarHBondContact NH2-OD1 2.79Å; R82-D86 IonicContact NH2-OD2 3.92Å; R82-D86 PolarHBondContact NH2-OD2 2.78Å; R82-D86 WeakPolarHBondContact O-CB 3.4Å; R82-D86 PolarHBondContact O-N 2.65Å; E84-D86 PolarHBondContact O-N 2.81Å; D86-V93 HydrophobicContact CB-CG2 4.07Å
87	R	90.7	Very high	93.9	Very high	158 Å²	158	61.6 Å²	61.6	60%	0.596	29%	0.285	S	S	*	.	H	α-helix	trans	-91.2	-48.7	178.5	-173.1	-168.3	-59.3	133.7	8.7	112.2	D83 E84 L85	D83-R87 PolarHBondContact O-N 3.34Å; E84-R87 PolarHBondContact O-N 2.89Å; E84-R87 VanDerWaalsContact O-N 3.16Å; E84-R87 IonicContact OE1-CZ 3.96Å; E84-R87 IonicContact OE1-NH1 3.57Å; E84-R87 PolarHBondContact OE1-NH1 2.86Å; E84-R87 IonicContact OE2-CZ 3.02Å; E84-R87 IonicContact OE2-NH1 3.88Å; E84-R87 PolarHBondContact OE2-NH1 3.43Å; L85-R87 PolarHBondContact O-N 2.9Å
88	E	87	Confident	93.4	Very high	87 Å²	87	64.8 Å²	64.8	41%	0.407	31%	0.308	S	S	.	.	H	α-helix	trans	-88.7	-29.4	-171.3	-61.7	-167	139.6	0	0	112.3	E84	E84-E88 PolarHBondContact O-N 3.03Å
89	S	84.9	Confident	92.7	Very high	13 Å²	13	68 Å²	68	9%	0.091	32%	0.322	C	S	.	.			trans	-110.6	150	-173.8	-150.8	0	0	0	0	112.5	L85 I91 E142	L85-S89 CarbonylContact O-C 3.57Å; L85-S89 WeakPolarHBondContact O-CA 3.36Å; L85-S89 WeakPolarHBondContact O-CB 3.41Å; L85-S89 PolarHBondContact O-N 3.31Å; S89-I91 VanDerWaalsContact C-N 3.26Å; S89-I91 PolarHBondContact O-N 3.37Å; S89-E142 PolarHBondContact OG-OE1 3.46Å
90	K	87.8	Confident	92.2	Very high	205 Å²	205	64.5 Å²	64.5	89%	0.891	31%	0.309	S	S	*	.			trans	-88.2	10.8	177.7	-65.9	-176.5	179.3	-179.9	0	113.4
91	I	91.7	Very high	91.6	Very high	15 Å²	15	70.7 Å²	70.7	8%	0.077	33%	0.332	C	S	.	.	S	Bend	trans	-75.9	152.7	-177.4	70.7	-178.4	0	0	0	110.9	L85 S89 V93 H136 L138 A139	L85-I91 HydrophobicContact CB-CD1 4.44Å; L85-I91 HydrophobicContact CD2-CD1 4.37Å; S89-I91 VanDerWaalsContact C-N 3.26Å; S89-I91 PolarHBondContact O-N 3.37Å; I91-V93 HydrophobicContact CD1-CG2 4.33Å; I91-V93 HydrophobicContact CG1-CG2 3.86Å; I91-V93 PolarHBondContact O-N 2.92Å; I91-V93 VanDerWaalsContact O-N 3.1Å; I91-H136 WeakPolarHBondContact CG2-CE1 3.41Å; I91-H136 WeakPolarHBondContact CG2-ND1 3.45Å; I91-L138 HydrophobicContact CG2-CB 3.62Å; I91-L138 HydrophobicContact CG2-CD1 4.18Å; I91-L138 HydrophobicContact CG2-CG 4.49Å; I91-A139 HydrophobicContact CD1-CB 3.75Å
92	V	93.9	Very high	90.9	Very high	141 Å²	141	78.8 Å²	78.8	86%	0.855	37%	0.368	S	S	*	.			trans	-76	98.5	165	-179.6	0	0	0	0	107.8	P94	V92-P94 WeakPolarHBondContact O-CD 3.43Å
93	V	94.2	Very high	90.2	Very high	17 Å²	17	78.8 Å²	78.8	10%	0.103	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-68.2	125.3	-176.9	-166.3	0	0	0	0	110	R82 L85 D86 I91 F129 V133	R82-V93 HydrophobicContact CB-CG1 4.33Å; R82-V93 HydrophobicContact CG-CG1 3.73Å; L85-V93 HydrophobicContact CB-CG1 4.43Å; L85-V93 HydrophobicContact CB-CG2 3.93Å; D86-V93 HydrophobicContact CB-CG2 4.07Å; I91-V93 HydrophobicContact CD1-CG2 4.33Å; I91-V93 HydrophobicContact CG1-CG2 3.86Å; I91-V93 PolarHBondContact O-N 2.92Å; I91-V93 VanDerWaalsContact O-N 3.1Å; V93-F129 HydrophobicContact CG1-CE2 4.08Å; V93-F129 HydrophobicContact CG1-CZ 4.45Å; V93-V133 HydrophobicContact CG1-CG2 4.49Å
94	P	96	Very high	89.6	Confident	28 Å²	28	81.4 Å²	81.4	18%	0.182	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-55.6	151.3	177.2	-24.4	33.3	0	0	0	112.4	V92 F129 K132 V133	V92-P94 WeakPolarHBondContact O-CD 3.43Å; P94-F129 HydrophobicContact CB-CD2 3.97Å; P94-F129 HydrophobicContact CB-CE2 4.47Å; P94-F129 WeakPolarHBondContact O-CD2 3.39Å; P94-F129 VanDerWaalsContact O-CE2 3.26Å; P94-F129 WeakPolarHBondContact O-CE2 3.47Å; P94-K132 HydrophobicContact CB-CB 4.3Å; P94-K132 HydrophobicContact CB-CD 4.3Å; P94-K132 HydrophobicContact CG-CB 3.57Å; P94-K132 HydrophobicContact CG-CD 4.27Å; P94-V133 HydrophobicContact CG-CG2 4.03Å
95	R	95.6	Very high	89.2	Confident	241 Å²	241	86.3 Å²	86.3	91%	0.909	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-73.5	137.7	177.3	-63.1	-178.5	-177.6	-121.8	0.4	110.2
96	L	96.5	Very high	88.2	Confident	34 Å²	34	90.7 Å²	90.7	18%	0.178	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-74.3	154.2	169.4	-73.4	167	0	0	0	110.8	Y75 F78 K79 R82 L126 F129	Y75-L96 HydrophobicContact CE2-CB 4.43Å; F78-L96 HydrophobicContact CB-CD2 3.84Å; K79-L96 HydrophobicContact CB-CD1 4.06Å; K79-L96 HydrophobicContact CG-CD1 4.46Å; R82-L96 HydrophobicContact CB-CD1 3.81Å; R82-L96 HydrophobicContact CB-CG 4.38Å; R82-L96 HydrophobicContact CG-CD1 4.18Å; L96-L126 HydrophobicContact CD2-CD2 4.09Å; L96-F129 HydrophobicContact CD2-CB 4.26Å; L96-F129 HydrophobicContact CD2-CD1 3.69Å; L96-F129 HydrophobicContact CD2-CD2 3.57Å; L96-F129 HydrophobicContact CD2-CE1 3.87Å; L96-F129 HydrophobicContact CD2-CE2 3.75Å; L96-F129 HydrophobicContact CD2-CG 3.55Å; L96-F129 HydrophobicContact CD2-CZ 3.9Å; L96-F129 HydrophobicContact CG-CD2 3.96Å; L96-F129 HydrophobicContact CG-CE2 3.92Å; L96-F129 HydrophobicContact CG-CG 4.43Å; L96-F129 HydrophobicContact CG-CZ 4.36Å
97	P	93.7	Very high	87.6	Confident	25 Å²	25	96.6 Å²	96.6	16%	0.162	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-59.3	163.2	169.1	25.3	-32.4	0	0	0	111	Y75 K99 R122 L126	Y75-P97 HydrophobicContact CE2-CG 4.21Å; Y75-P97 WeakPolarHBondContact CE2-O 3.45Å; Y75-P97 PolarHBondContact OH-O 3.03Å; Y75-P97 VanDerWaalsContact OH-O 3.07Å; P97-K99 PolarHBondContact O-N 3.34Å; P97-R122 HydrophobicContact CG-CG 4.31Å; P97-L126 HydrophobicContact CG-CD2 3.76Å; P97-L126 HydrophobicContact CG-CG 3.94Å
98	S	86.9	Confident	87	Confident	82 Å²	82	93.9 Å²	93.9	57%	0.573	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-56.3	133.9	-175.2	-175.3	0	0	0	0	112.4	A100 R122	S98-A100 PolarHBondContact O-N 2.94Å; S98-A100 PolarHBondContact OG-N 3.35Å; S98-A100 VanDerWaalsContact OG-N 3.08Å; S98-R122 PolarHBondContact O-NH2 3.27Å
99	K	83.8	Confident	86.8	Confident	69 Å²	69	95.3 Å²	95.3	30%	0.3	47%	0.471	S	S	.	.			trans	-62	-20.7	168.3	-171.7	158.6	177.7	-175.7	0	111.8	Y75 P97 W101 R122	Y75-K99 HydrophobicContact CE1-CB 4.17Å; Y75-K99 HydrophobicContact CE1-CD 4.24Å; Y75-K99 HydrophobicContact CE1-CG 4.06Å; P97-K99 PolarHBondContact O-N 3.34Å; K99-W101 HydrophobicContact CD-CD2 4.04Å; K99-W101 HydrophobicContact CD-CE3 4.47Å; K99-W101 HydrophobicContact CD-CH2 3.97Å; K99-W101 HydrophobicContact CD-CZ2 3.38Å; K99-W101 HydrophobicContact CD-CZ3 4.42Å; K99-W101 HydrophobicContact CG-CD2 3.99Å; K99-W101 HydrophobicContact CG-CE3 4.45Å; K99-W101 HydrophobicContact CG-CG 4.45Å; K99-W101 HydrophobicContact CG-CZ2 4.26Å; K99-W101 PolarHBondContact O-N 3.29Å; K99-R122 PolarHBondContact O-NH2 2.9Å; K99-R122 VanDerWaalsContact O-NH2 3.16Å
100	A	86.2	Confident	86.8	Confident	10 Å²	10	97.6 Å²	97.6	8%	0.083	48%	0.483	C	S	.	.			trans	55	45.1	176.5	0	0	0	0	0	113.8	S98 K102 R103 F118	S98-A100 PolarHBondContact O-N 2.94Å; S98-A100 PolarHBondContact OG-N 3.35Å; S98-A100 VanDerWaalsContact OG-N 3.08Å; A100-K102 PolarHBondContact O-N 3.23Å; A100-K102 VanDerWaalsContact O-N 3.1Å; A100-R103 HydrophobicContact CB-CB 4.09Å; A100-R103 HydrophobicContact CB-CG 4.08Å; A100-R103 WeakPolarHBondContact O-CA 3.29Å; A100-R103 WeakPolarHBondContact O-CB 3.43Å; A100-R103 PolarHBondContact O-N 3.49Å; A100-F118 HydrophobicContact CB-CE1 4.31Å; A100-F118 HydrophobicContact CB-CE2 3.41Å; A100-F118 VanDerWaalsContact CB-CE2 3.41Å; A100-F118 HydrophobicContact CB-CZ 3.25Å
101	W	83	Confident	86.6	Confident	156 Å²	156	94.3 Å²	94.3	59%	0.591	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-49.4	-37.9	176.8	-66	121.3	0	0	0	113.6	K99 R103 Q104	K99-W101 HydrophobicContact CD-CD2 4.04Å; K99-W101 HydrophobicContact CD-CE3 4.47Å; K99-W101 HydrophobicContact CD-CH2 3.97Å; K99-W101 HydrophobicContact CD-CZ2 3.38Å; K99-W101 HydrophobicContact CD-CZ3 4.42Å; K99-W101 HydrophobicContact CG-CD2 3.99Å; K99-W101 HydrophobicContact CG-CE3 4.45Å; K99-W101 HydrophobicContact CG-CG 4.45Å; K99-W101 HydrophobicContact CG-CZ2 4.26Å; K99-W101 PolarHBondContact O-N 3.29Å; W101-R103 PolarHBondContact O-N 3.02Å; W101-Q104 VanDerWaalsContact CE3-OE1 3.31Å; W101-Q104 PolarHBondContact O-N 3.34Å; W101-Q104 VanDerWaalsContact O-N 3.07Å
102	K	82.2	Confident	86.5	Confident	170 Å²	170	93.9 Å²	93.9	74%	0.739	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-63.3	-24.9	176.3	-64.7	-178.1	178	-177.7	0	113.7	A100 Q104 R108	A100-K102 PolarHBondContact O-N 3.23Å; A100-K102 VanDerWaalsContact O-N 3.1Å; K102-Q104 VanDerWaalsContact C-N 3.32Å; K102-R108 PolarHBondContact O-NH1 2.93Å
103	R	83	Confident	86.3	Confident	67 Å²	67	88.4 Å²	88.4	25%	0.253	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-83.9	-6	176.7	-66.8	-173.4	175.6	-105	8.1	113.1	A100 W101 D110 G112 I113 F118	A100-R103 HydrophobicContact CB-CB 4.09Å; A100-R103 HydrophobicContact CB-CG 4.08Å; A100-R103 WeakPolarHBondContact O-CA 3.29Å; A100-R103 WeakPolarHBondContact O-CB 3.43Å; A100-R103 PolarHBondContact O-N 3.49Å; W101-R103 PolarHBondContact O-N 3.02Å; R103-D110 IonicContact NH1-OD2 2.84Å; R103-G112 WeakPolarHBondContact O-CA 3.41Å; R103-I113 HydrophobicContact CB-CG2 3.73Å; R103-F118 VanDerWaalsContact CD-CD2 3.42Å; R103-F118 VanDerWaalsContact NE-CD2 3.34Å
104	Q	82.9	Confident	86.2	Confident	101 Å²	101	90.5 Å²	90.5	47%	0.472	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-95.8	-3.9	174.3	-63.9	-172.5	-25.5	0	0	113.2	W101 K102 I113	W101-Q104 VanDerWaalsContact CE3-OE1 3.31Å; W101-Q104 PolarHBondContact O-N 3.34Å; W101-Q104 VanDerWaalsContact O-N 3.07Å; K102-Q104 VanDerWaalsContact C-N 3.32Å; Q104-I113 HydrophobicContact CG-CD1 4.29Å; Q104-I113 HydrophobicContact CG-CG1 4.49Å; Q104-I113 HydrophobicContact CG-CG2 3.73Å
105	L	84.4	Confident	86	Confident	109 Å²	109	90.9 Å²	90.9	57%	0.571	44%	0.442	S	S	*	.	S	Bend	trans	-69.9	145.6	179.6	-68.9	174	0	0	0	111.5
106	P	75	Confident	85.9	Confident	93 Å²	93	86.3 Å²	86.3	60%	0.604	43%	0.43	S	S	*	.	S	Bend	trans	-65.9	167.1	171	29.8	-34.5	0	0	0	111.4
107	F	79.9	Confident	85.7	Confident	208 Å²	208	90.9 Å²	90.9	91%	0.912	46%	0.455	S	S	*	.	S	Bend	trans	66.8	32.4	176.4	-44.4	-75.6	0	0	0	115.6
108	R	79.2	Confident	85.7	Confident	100 Å²	100	90 Å²	90	38%	0.377	45%	0.449	S	S	.	.			trans	-91.7	149.3	169.4	-62.9	178.7	62.9	95.9	8.1	110.5	K102 D110	K102-R108 PolarHBondContact O-NH1 2.93Å; R108-D110 WeakPolarHBondContact CB-OD1 3.39Å; R108-D110 IonicContact CZ-OD1 3.43Å; R108-D110 IonicContact CZ-OD2 3.6Å; R108-D110 IonicContact NE-OD1 2.73Å; R108-D110 PolarHBondContact NE-OD1 3.43Å; R108-D110 IonicContact NE-OD2 3.66Å; R108-D110 IonicContact NH2-OD1 3.29Å; R108-D110 PolarHBondContact NH2-OD1 3.37Å; R108-D110 IonicContact NH2-OD2 2.7Å; R108-D110 PolarHBondContact NH2-OD2 2.96Å
109	A	81.9	Confident	86.2	Confident	118 Å²	118	86.8 Å²	86.8	98%	0.975	43%	0.425	S	S	*	.	S	Bend	trans	-80.3	-19.6	173.1	0	0	0	0	0	112.8
110	D	84.2	Confident	86.8	Confident	61 Å²	61	86.8 Å²	86.8	33%	0.326	43%	0.426	S	S	.	.	S	Bend	trans	-95.6	173.8	179.2	69.9	-2.6	0	0	0	112.4	R103 R108 G112	R103-D110 IonicContact NH1-OD2 2.84Å; R108-D110 WeakPolarHBondContact CB-OD1 3.39Å; R108-D110 IonicContact CZ-OD1 3.43Å; R108-D110 IonicContact CZ-OD2 3.6Å; R108-D110 IonicContact NE-OD1 2.73Å; R108-D110 PolarHBondContact NE-OD1 3.43Å; R108-D110 IonicContact NE-OD2 3.66Å; R108-D110 IonicContact NH2-OD1 3.29Å; R108-D110 PolarHBondContact NH2-OD1 3.37Å; R108-D110 IonicContact NH2-OD2 2.7Å; R108-D110 PolarHBondContact NH2-OD2 2.96Å; D110-G112 PolarHBondContact O-N 3.28Å; D110-G112 VanDerWaalsContact O-N 3.14Å; D110-G112 PolarHBondContact OD1-N 3.1Å; D110-G112 VanDerWaalsContact OD1-N 3.15Å
111	K	85	Confident	87.3	Confident	136 Å²	136	92.2 Å²	92.2	59%	0.591	45%	0.449	S	S	*	.			trans	-76.6	11.5	176.2	-60.5	-179	-175.4	174.8	0	113.2	I113 F114 D115	K111-I113 PolarHBondContact O-N 3.44Å; K111-F114 HydrophobicContact CB-CB 4.43Å; K111-F114 PolarHBondContact O-N 2.96Å; K111-D115 HydrophobicContact CB-CB 4.16Å
112	G	88.5	Confident	87.9	Confident	6 Å²	6	85.7 Å²	85.7	6%	0.062	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	59.3	-117.9	177.1	0	0	0	0	0	113.3	R103 D110 F114 D115	R103-G112 WeakPolarHBondContact O-CA 3.41Å; D110-G112 PolarHBondContact O-N 3.28Å; D110-G112 VanDerWaalsContact O-N 3.14Å; D110-G112 PolarHBondContact OD1-N 3.1Å; D110-G112 VanDerWaalsContact OD1-N 3.15Å; G112-F114 VanDerWaalsContact C-N 3.29Å; G112-D115 WeakPolarHBondContact O-CB 3.43Å
113	I	90	Very high	88.7	Confident	25 Å²	25	79.2 Å²	79.2	13%	0.128	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-81.5	-6.4	177.9	61.5	160	0	0	0	114	R103 Q104 K111 F118	R103-I113 HydrophobicContact CB-CG2 3.73Å; Q104-I113 HydrophobicContact CG-CD1 4.29Å; Q104-I113 HydrophobicContact CG-CG1 4.49Å; Q104-I113 HydrophobicContact CG-CG2 3.73Å; K111-I113 PolarHBondContact O-N 3.44Å; I113-F118 HydrophobicContact CB-CD1 4.2Å; I113-F118 HydrophobicContact CB-CE1 3.87Å; I113-F118 HydrophobicContact CG2-CE1 3.94Å; I113-F118 HydrophobicContact CG2-CZ 4.43Å; I113-F118 WeakPolarHBondContact O-CD1 3.35Å
114	F	91.7	Very high	89.4	Confident	61 Å²	61	81.6 Å²	81.6	27%	0.268	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-102.5	8.6	177.3	-52.3	-70.5	0	0	0	112.1	T42 R49 K111 G112	T42-F114 HydrophobicContact CG2-CD1 3.75Å; T42-F114 HydrophobicContact CG2-CE1 4.1Å; R49-F114 HydrophobicContact CB-CE1 3.83Å; R49-F114 HydrophobicContact CB-CE2 4.24Å; R49-F114 HydrophobicContact CB-CZ 3.52Å; R49-F114 WeakPolarHBondContact O-CZ 3.49Å; K111-F114 HydrophobicContact CB-CB 4.43Å; K111-F114 PolarHBondContact O-N 2.96Å; G112-F114 VanDerWaalsContact C-N 3.29Å
115	D	92.5	Very high	90.2	Very high	37 Å²	37	77.8 Å²	77.8	20%	0.198	40%	0.395	C	S	.	.			trans	-72	136.4	173.5	-168.4	-105.4	0	0	0	110.4	K111 G112 D117 F118 I119	K111-D115 HydrophobicContact CB-CB 4.16Å; G112-D115 WeakPolarHBondContact O-CB 3.43Å; D115-D117 PolarHBondContact O-N 3.16Å; D115-F118 HydrophobicContact CB-CB 4.17Å; D115-F118 WeakPolarHBondContact O-CB 3.43Å; D115-F118 PolarHBondContact O-N 3.39Å; D115-I119 WeakPolarHBondContact O-CG1 3.5Å; D115-I119 PolarHBondContact O-N 3.18Å
116	E	93.3	Very high	90.9	Very high	144 Å²	144	72.6 Å²	72.6	67%	0.673	37%	0.368	S	S	*	.	H	α-helix	trans	-64.5	-41.7	-170.9	-70.1	173.5	-159.9	0	0	111.9	F118 I119 E120	E116-F118 VanDerWaalsContact C-N 3.27Å; E116-F118 PolarHBondContact O-N 3.32Å; E116-I119 PolarHBondContact O-N 2.93Å; E116-E120 PolarHBondContact O-N 2.84Å
117	D	93.1	Very high	92	Very high	130 Å²	130	70.3 Å²	70.3	70%	0.695	35%	0.35	S	S	*	.	H	α-helix	trans	-61	-40.7	176.8	-70.1	-24.9	0	0	0	111	D115 E120 E121	D115-D117 PolarHBondContact O-N 3.16Å; D117-E120 PolarHBondContact O-N 2.79Å; D117-E121 WeakPolarHBondContact O-CB 3.44Å; D117-E121 PolarHBondContact O-N 3.45Å
118	F	93.5	Very high	92.9	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.035	33%	0.328	C	S	.	.	H	α-helix	trans	-68.4	-41.1	177.6	178.6	-102.4	0	0	0	112.6	A100 R103 I113 D115 E116 E120 R122	A100-F118 HydrophobicContact CB-CE1 4.31Å; A100-F118 HydrophobicContact CB-CE2 3.41Å; A100-F118 VanDerWaalsContact CB-CE2 3.41Å; A100-F118 HydrophobicContact CB-CZ 3.25Å; R103-F118 VanDerWaalsContact CD-CD2 3.42Å; R103-F118 VanDerWaalsContact NE-CD2 3.34Å; I113-F118 HydrophobicContact CB-CD1 4.2Å; I113-F118 HydrophobicContact CB-CE1 3.87Å; I113-F118 HydrophobicContact CG2-CE1 3.94Å; I113-F118 HydrophobicContact CG2-CZ 4.43Å; I113-F118 WeakPolarHBondContact O-CD1 3.35Å; D115-F118 HydrophobicContact CB-CB 4.17Å; D115-F118 WeakPolarHBondContact O-CB 3.43Å; D115-F118 PolarHBondContact O-N 3.39Å; E116-F118 VanDerWaalsContact C-N 3.27Å; E116-F118 PolarHBondContact O-N 3.32Å; F118-E120 VanDerWaalsContact C-N 3.32Å; F118-R122 VanDerWaalsContact CZ-CZ 3.43Å; F118-R122 VanDerWaalsContact O-CB 3.22Å; F118-R122 WeakPolarHBondContact O-CB 3.32Å; F118-R122 PolarHBondContact O-N 3.28Å
119	I	96.1	Very high	93.8	Very high	14 Å²	14	59.8 Å²	59.8	7%	0.072	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-43.4	176.2	-72.7	170	0	0	0	110	P40 T51 Y53 D115 E116 R122 R123	P40-I119 HydrophobicContact CB-CG2 3.33Å; P40-I119 HydrophobicContact CG-CG2 3.73Å; T51-I119 HydrophobicContact CG2-CD1 4.19Å; T51-I119 HydrophobicContact CG2-CG1 4.35Å; T51-I119 HydrophobicContact CG2-CG2 4.27Å; Y53-I119 HydrophobicContact CE1-CG2 4.07Å; D115-I119 WeakPolarHBondContact O-CG1 3.5Å; D115-I119 PolarHBondContact O-N 3.18Å; E116-I119 PolarHBondContact O-N 2.93Å; I119-R122 PolarHBondContact O-N 2.88Å; I119-R123 VanDerWaalsContact O-CB 3.32Å; I119-R123 WeakPolarHBondContact O-CB 3.08Å; I119-R123 PolarHBondContact O-N 2.89Å
120	E	97.2	Very high	94.6	Very high	68 Å²	68	54.2 Å²	54.2	32%	0.318	26%	0.264	S	S	.	.	H	α-helix	trans	-69.8	-42.5	179	179.5	54.7	-156.3	0	0	112.5	E116 D117 F118 R122 R123 K124	E116-E120 PolarHBondContact O-N 2.84Å; D117-E120 PolarHBondContact O-N 2.79Å; F118-E120 VanDerWaalsContact C-N 3.32Å; E120-R122 VanDerWaalsContact C-N 3.29Å; E120-R122 PolarHBondContact O-N 3.06Å; E120-R123 VanDerWaalsContact CD-NE 3.32Å; E120-R123 WeakPolarHBondContact O-CB 3.04Å; E120-R123 PolarHBondContact O-N 2.98Å; E120-R123 IonicContact OE1-CZ 3.31Å; E120-R123 IonicContact OE1-NE 3.16Å; E120-R123 PolarHBondContact OE1-NE 3.23Å; E120-R123 VanDerWaalsContact OE1-NE 3.12Å; E120-R123 IonicContact OE1-NH2 3.95Å; E120-R123 PolarHBondContact OE1-NH2 2.68Å; E120-R123 WeakPolarHBondContact OE2-CD 3.31Å; E120-R123 IonicContact OE2-CZ 3.88Å; E120-R123 IonicContact OE2-NE 2.68Å; E120-R123 PolarHBondContact OE2-NE 2.84Å; E120-R123 IonicContact OE2-NH2 3.25Å; E120-K124 WeakPolarHBondContact O-CG 3.11Å; E120-K124 PolarHBondContact O-N 2.94Å; E120-K124 WeakPolarHBondContact OE1-CE 3.48Å; E120-K124 IonicContact OE1-NZ 2.81Å
121	E	96.2	Very high	95.3	Very high	124 Å²	124	54 Å²	54	58%	0.579	26%	0.263	S	S	*	.	H	α-helix	trans	-57.2	-46	172.8	-172.5	-163.5	156.8	0	0	110.6	D117 G125	D117-E121 WeakPolarHBondContact O-CB 3.44Å; D117-E121 PolarHBondContact O-N 3.45Å; E121-G125 PolarHBondContact O-N 3.35Å; E121-G125 VanDerWaalsContact O-N 3.08Å
122	R	96.8	Very high	95.9	Very high	20 Å²	20	53.2 Å²	53.2	8%	0.075	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-45.4	177.1	176	175.1	-80.6	179	-6.5	111.2	Y53 P97 S98 K99 F118 I119 E120 K124 G125 L126	Y53-R122 WeakPolarHBondContact OH-CD 3.49Å; P97-R122 HydrophobicContact CG-CG 4.31Å; S98-R122 PolarHBondContact O-NH2 3.27Å; K99-R122 PolarHBondContact O-NH2 2.9Å; K99-R122 VanDerWaalsContact O-NH2 3.16Å; F118-R122 VanDerWaalsContact CZ-CZ 3.43Å; F118-R122 VanDerWaalsContact O-CB 3.22Å; F118-R122 WeakPolarHBondContact O-CB 3.32Å; F118-R122 PolarHBondContact O-N 3.28Å; I119-R122 PolarHBondContact O-N 2.88Å; E120-R122 VanDerWaalsContact C-N 3.29Å; E120-R122 PolarHBondContact O-N 3.06Å; R122-K124 PolarHBondContact O-N 2.9Å; R122-G125 PolarHBondContact O-N 3.42Å; R122-G125 VanDerWaalsContact O-N 3.12Å; R122-L126 HydrophobicContact CG-CD1 3.84Å; R122-L126 HydrophobicContact CG-CG 4.13Å; R122-L126 VanDerWaalsContact O-CG 3.27Å; R122-L126 WeakPolarHBondContact O-CG 3.23Å; R122-L126 PolarHBondContact O-N 3.03Å
123	R	98.2	Very high	96.4	Very high	33 Å²	33	53 Å²	53	13%	0.125	26%	0.257	C	S	.	.	H	α-helix	trans	-54.2	-51.9	177.9	-172.7	-154	66.7	68.4	-1.3	111.1	V37 Y53 I119 E120 G125 L126 E127	V37-R123 HydrophobicContact CB-CG 4.48Å; V37-R123 HydrophobicContact CG1-CG 4.09Å; V37-R123 WeakPolarHBondContact O-CD 3.26Å; V37-R123 WeakPolarHBondContact O-CG 3.49Å; V37-R123 PolarHBondContact O-NH1 3.39Å; Y53-R123 HydrophobicContact CD1-CB 4.05Å; Y53-R123 HydrophobicContact CD1-CG 3.96Å; Y53-R123 HydrophobicContact CE1-CB 3.83Å; Y53-R123 HydrophobicContact CE1-CG 4.26Å; I119-R123 VanDerWaalsContact O-CB 3.32Å; I119-R123 WeakPolarHBondContact O-CB 3.08Å; I119-R123 PolarHBondContact O-N 2.89Å; E120-R123 VanDerWaalsContact CD-NE 3.32Å; E120-R123 WeakPolarHBondContact O-CB 3.04Å; E120-R123 PolarHBondContact O-N 2.98Å; E120-R123 IonicContact OE1-CZ 3.31Å; E120-R123 IonicContact OE1-NE 3.16Å; E120-R123 PolarHBondContact OE1-NE 3.23Å; E120-R123 VanDerWaalsContact OE1-NE 3.12Å; E120-R123 IonicContact OE1-NH2 3.95Å; E120-R123 PolarHBondContact OE1-NH2 2.68Å; E120-R123 WeakPolarHBondContact OE2-CD 3.31Å; E120-R123 IonicContact OE2-CZ 3.88Å; E120-R123 IonicContact OE2-NE 2.68Å; E120-R123 PolarHBondContact OE2-NE 2.84Å; E120-R123 IonicContact OE2-NH2 3.25Å; R123-G125 VanDerWaalsContact C-N 3.3Å; R123-G125 PolarHBondContact O-N 2.98Å; R123-L126 PolarHBondContact O-N 2.9Å; R123-L126 VanDerWaalsContact O-N 3.13Å; R123-E127 VanDerWaalsContact NH1-CD 3.27Å; R123-E127 IonicContact NH1-OE1 4Å; R123-E127 PolarHBondContact NH1-OE1 2.85Å; R123-E127 IonicContact NH1-OE2 3.83Å; R123-E127 PolarHBondContact NH1-OE2 3.07Å; R123-E127 WeakPolarHBondContact O-CB 3.41Å; R123-E127 PolarHBondContact O-N 3.02Å
124	K	98.5	Very high	96.7	Very high	118 Å²	118	51.8 Å²	51.8	51%	0.513	25%	0.251	S	S	.	.	H	α-helix	trans	-56.2	-43.5	175.2	-69.4	177.3	-171.4	179	0	112.3	E120 R122 E127 N128	E120-K124 WeakPolarHBondContact O-CG 3.11Å; E120-K124 PolarHBondContact O-N 2.94Å; E120-K124 WeakPolarHBondContact OE1-CE 3.48Å; E120-K124 IonicContact OE1-NZ 2.81Å; R122-K124 PolarHBondContact O-N 2.9Å; K124-E127 PolarHBondContact O-N 3.29Å; K124-N128 WeakPolarHBondContact O-CB 3.5Å; K124-N128 PolarHBondContact O-N 3.13Å
125	G	98.5	Very high	96.9	Very high	20 Å²	20	51.3 Å²	51.3	21%	0.206	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-39.6	177.3	0	0	0	0	0	113.3	E121 R122 R123 F129	E121-G125 PolarHBondContact O-N 3.35Å; E121-G125 VanDerWaalsContact O-N 3.08Å; R122-G125 PolarHBondContact O-N 3.42Å; R122-G125 VanDerWaalsContact O-N 3.12Å; R123-G125 VanDerWaalsContact C-N 3.3Å; R123-G125 PolarHBondContact O-N 2.98Å; G125-F129 WeakPolarHBondContact O-CB 3.31Å; G125-F129 PolarHBondContact O-N 2.91Å
126	L	98.8	Very high	97.1	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.8	-40.6	177.2	-66.7	174.6	0	0	0	111.8	V37 Y53 Y75 F78 L96 P97 R122 R123 F129 I130	V37-L126 HydrophobicContact CG1-CB 4.34Å; Y53-L126 HydrophobicContact CD2-CD1 3.71Å; Y53-L126 HydrophobicContact CE2-CD1 3.61Å; Y53-L126 HydrophobicContact CG-CD1 4.29Å; Y75-L126 HydrophobicContact CD2-CD2 4.11Å; F78-L126 HydrophobicContact CB-CD2 3.94Å; F78-L126 HydrophobicContact CD1-CB 4.39Å; F78-L126 HydrophobicContact CD1-CD2 3.86Å; F78-L126 HydrophobicContact CD2-CD1 4.13Å; F78-L126 HydrophobicContact CD2-CD2 3.89Å; F78-L126 HydrophobicContact CD2-CG 4.49Å; F78-L126 HydrophobicContact CE1-CB 3.95Å; F78-L126 HydrophobicContact CE1-CD2 4.25Å; F78-L126 HydrophobicContact CE2-CB 4.43Å; F78-L126 HydrophobicContact CE2-CD1 3.93Å; F78-L126 HydrophobicContact CE2-CD2 4.31Å; F78-L126 HydrophobicContact CE2-CG 4.44Å; F78-L126 HydrophobicContact CG-CD2 3.65Å; F78-L126 HydrophobicContact CZ-CB 3.98Å; F78-L126 HydrophobicContact CZ-CD1 4.3Å; F78-L126 HydrophobicContact CZ-CD2 4.47Å; F78-L126 HydrophobicContact CZ-CG 4.47Å; L96-L126 HydrophobicContact CD2-CD2 4.09Å; P97-L126 HydrophobicContact CG-CD2 3.76Å; P97-L126 HydrophobicContact CG-CG 3.94Å; R122-L126 HydrophobicContact CG-CD1 3.84Å; R122-L126 HydrophobicContact CG-CG 4.13Å; R122-L126 VanDerWaalsContact O-CG 3.27Å; R122-L126 WeakPolarHBondContact O-CG 3.23Å; R122-L126 PolarHBondContact O-N 3.03Å; R123-L126 PolarHBondContact O-N 2.9Å; R123-L126 VanDerWaalsContact O-N 3.13Å; L126-F129 WeakPolarHBondContact O-CB 3.39Å; L126-F129 PolarHBondContact O-N 3.43Å; L126-I130 WeakPolarHBondContact O-CG2 3.49Å; L126-I130 PolarHBondContact O-N 3.49Å
127	E	98.8	Very high	97.1	Very high	45 Å²	45	50.3 Å²	50.3	21%	0.21	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-49.2	174.6	-171	164.6	-92.9	0	0	111.9	V37 R123 K124 F129 I130 N131	V37-E127 HydrophobicContact CB-CB 3.97Å; V37-E127 HydrophobicContact CB-CG 4.45Å; V37-E127 HydrophobicContact CG2-CB 4.05Å; V37-E127 HydrophobicContact CG2-CG 4.46Å; V37-E127 PolarHBondContact N-OE1 3.39Å; R123-E127 VanDerWaalsContact NH1-CD 3.27Å; R123-E127 IonicContact NH1-OE1 4Å; R123-E127 PolarHBondContact NH1-OE1 2.85Å; R123-E127 IonicContact NH1-OE2 3.83Å; R123-E127 PolarHBondContact NH1-OE2 3.07Å; R123-E127 WeakPolarHBondContact O-CB 3.41Å; R123-E127 PolarHBondContact O-N 3.02Å; K124-E127 PolarHBondContact O-N 3.29Å; E127-F129 VanDerWaalsContact C-N 3.32Å; E127-F129 PolarHBondContact O-N 2.85Å; E127-I130 WeakPolarHBondContact O-CG2 3.49Å; E127-I130 PolarHBondContact O-N 2.98Å; E127-N131 WeakPolarHBondContact O-CB 2.92Å; E127-N131 PolarHBondContact O-N 2.64Å; E127-N131 PolarHBondContact O-ND2 2.83Å
128	N	98.5	Very high	97.1	Very high	87 Å²	87	48.1 Å²	48.1	47%	0.465	25%	0.253	S	S	.	.	H	α-helix	trans	-63	-38.1	176.2	177.9	50.2	0	0	0	112.1	K124 K132	K124-N128 WeakPolarHBondContact O-CB 3.5Å; K124-N128 PolarHBondContact O-N 3.13Å; N128-K132 PolarHBondContact ND2-NZ 2.89Å; N128-K132 WeakPolarHBondContact O-CB 3.4Å; N128-K132 VanDerWaalsContact O-CG 3.31Å; N128-K132 WeakPolarHBondContact O-CG 3.38Å; N128-K132 PolarHBondContact O-N 2.79Å; N128-K132 WeakPolarHBondContact OD1-CE 3.36Å; N128-K132 PolarHBondContact OD1-NZ 3.33Å
129	F	98.6	Very high	97.3	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-52.5	175	166.7	-89.9	0	0	0	111.4	F78 L81 R82 V93 P94 L96 G125 L126 E127 K132 V133	F78-F129 AromaticContact CD1-CD1 3.87Å; F78-F129 HydrophobicContact CD1-CD1 3.87Å; F78-F129 HydrophobicContact CD1-CE1 4.1Å; L81-F129 HydrophobicContact CD2-CE1 4.26Å; R82-F129 HydrophobicContact CB-CE2 4.06Å; R82-F129 HydrophobicContact CB-CZ 3.82Å; R82-F129 HydrophobicContact CG-CE2 4.17Å; R82-F129 HydrophobicContact CG-CZ 4.42Å; V93-F129 HydrophobicContact CG1-CE2 4.08Å; V93-F129 HydrophobicContact CG1-CZ 4.45Å; P94-F129 HydrophobicContact CB-CD2 3.97Å; P94-F129 HydrophobicContact CB-CE2 4.47Å; P94-F129 WeakPolarHBondContact O-CD2 3.39Å; P94-F129 VanDerWaalsContact O-CE2 3.26Å; P94-F129 WeakPolarHBondContact O-CE2 3.47Å; L96-F129 HydrophobicContact CD2-CB 4.26Å; L96-F129 HydrophobicContact CD2-CD1 3.69Å; L96-F129 HydrophobicContact CD2-CD2 3.57Å; L96-F129 HydrophobicContact CD2-CE1 3.87Å; L96-F129 HydrophobicContact CD2-CE2 3.75Å; L96-F129 HydrophobicContact CD2-CG 3.55Å; L96-F129 HydrophobicContact CD2-CZ 3.9Å; L96-F129 HydrophobicContact CG-CD2 3.96Å; L96-F129 HydrophobicContact CG-CE2 3.92Å; L96-F129 HydrophobicContact CG-CG 4.43Å; L96-F129 HydrophobicContact CG-CZ 4.36Å; G125-F129 WeakPolarHBondContact O-CB 3.31Å; G125-F129 PolarHBondContact O-N 2.91Å; L126-F129 WeakPolarHBondContact O-CB 3.39Å; L126-F129 PolarHBondContact O-N 3.43Å; E127-F129 VanDerWaalsContact C-N 3.32Å; E127-F129 PolarHBondContact O-N 2.85Å; F129-K132 PolarHBondContact O-N 3.34Å; F129-V133 HydrophobicContact CD1-CG2 4.49Å; F129-V133 HydrophobicContact CD2-CG2 4.39Å; F129-V133 HydrophobicContact CE1-CG2 4.07Å; F129-V133 HydrophobicContact CE2-CG2 3.95Å; F129-V133 HydrophobicContact CZ-CG2 3.77Å; F129-V133 WeakPolarHBondContact O-CG2 3.26Å; F129-V133 PolarHBondContact O-N 2.99Å
130	I	98.7	Very high	97.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-70.7	-37	-172.6	-167.4	59.7	0	0	0	112.1	I35 V37 F78 L81 L126 E127 K132 V133 A134 L145 F148 L149	I35-I130 HydrophobicContact CB-CG2 4.49Å; I35-I130 HydrophobicContact CD1-CG1 4.3Å; I35-I130 HydrophobicContact CG2-CG1 4.24Å; I35-I130 HydrophobicContact CG2-CG2 3.76Å; V37-I130 HydrophobicContact CG2-CG2 3.81Å; F78-I130 HydrophobicContact CE1-CB 4.18Å; L81-I130 HydrophobicContact CD2-CD1 3.67Å; L126-I130 WeakPolarHBondContact O-CG2 3.49Å; L126-I130 PolarHBondContact O-N 3.49Å; E127-I130 WeakPolarHBondContact O-CG2 3.49Å; E127-I130 PolarHBondContact O-N 2.98Å; I130-K132 VanDerWaalsContact C-N 3.35Å; I130-K132 PolarHBondContact O-N 3Å; I130-V133 PolarHBondContact O-N 3.32Å; I130-A134 VanDerWaalsContact O-CB 3.27Å; I130-A134 WeakPolarHBondContact O-CB 3.36Å; I130-A134 PolarHBondContact O-N 2.77Å; I130-L145 HydrophobicContact CD1-CD1 4.05Å; I130-F148 HydrophobicContact CD1-CD1 3.89Å; I130-F148 HydrophobicContact CD1-CE1 3.76Å; I130-F148 HydrophobicContact CG1-CE1 4.22Å; I130-L149 HydrophobicContact CD1-CD2 4.08Å; I130-L149 HydrophobicContact CG1-CD2 3.9Å
131	N	98.5	Very high	97.1	Very high	58 Å²	58	50.5 Å²	50.5	31%	0.31	27%	0.267	S	S	.	.	H	α-helix	trans	-62.1	-41.9	174.9	-82.8	-74.2	0	0	0	111.9	I35 E127 G135	I35-N131 PolarHBondContact O-ND2 3.03Å; I35-N131 PolarHBondContact O-OD1 3.31Å; E127-N131 WeakPolarHBondContact O-CB 2.92Å; E127-N131 PolarHBondContact O-N 2.64Å; E127-N131 PolarHBondContact O-ND2 2.83Å; N131-G135 PolarHBondContact O-N 3.12Å
132	K	97.9	Very high	97	Very high	118 Å²	118	46.4 Å²	46.4	51%	0.513	25%	0.248	S	C	.	.	H	α-helix	trans	-65.3	-41.3	176	-75.8	177	-178.1	170.6	0	112.8	P94 N128 F129 I130	P94-K132 HydrophobicContact CB-CB 4.3Å; P94-K132 HydrophobicContact CB-CD 4.3Å; P94-K132 HydrophobicContact CG-CB 3.57Å; P94-K132 HydrophobicContact CG-CD 4.27Å; N128-K132 PolarHBondContact ND2-NZ 2.89Å; N128-K132 WeakPolarHBondContact O-CB 3.4Å; N128-K132 VanDerWaalsContact O-CG 3.31Å; N128-K132 WeakPolarHBondContact O-CG 3.38Å; N128-K132 PolarHBondContact O-N 2.79Å; N128-K132 WeakPolarHBondContact OD1-CE 3.36Å; N128-K132 PolarHBondContact OD1-NZ 3.33Å; F129-K132 PolarHBondContact O-N 3.34Å; I130-K132 VanDerWaalsContact C-N 3.35Å; I130-K132 PolarHBondContact O-N 3Å
133	V	98.2	Very high	96.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-54.1	176.9	166.1	0	0	0	0	110.2	L85 V93 P94 F129 I130 G135 H136 A139 L145	L85-V133 HydrophobicContact CD1-CB 4.43Å; L85-V133 HydrophobicContact CD1-CG1 3.35Å; L85-V133 HydrophobicContact CD1-CG2 4.17Å; V93-V133 HydrophobicContact CG1-CG2 4.49Å; P94-V133 HydrophobicContact CG-CG2 4.03Å; F129-V133 HydrophobicContact CD1-CG2 4.49Å; F129-V133 HydrophobicContact CD2-CG2 4.39Å; F129-V133 HydrophobicContact CE1-CG2 4.07Å; F129-V133 HydrophobicContact CE2-CG2 3.95Å; F129-V133 HydrophobicContact CZ-CG2 3.77Å; F129-V133 WeakPolarHBondContact O-CG2 3.26Å; F129-V133 PolarHBondContact O-N 2.99Å; I130-V133 PolarHBondContact O-N 3.32Å; V133-G135 VanDerWaalsContact C-N 3.29Å; V133-G135 PolarHBondContact O-N 2.81Å; V133-H136 WeakPolarHBondContact O-CB 3.48Å; V133-H136 PolarHBondContact O-N 3.02Å; V133-H136 VanDerWaalsContact O-N 3.07Å; V133-A139 HydrophobicContact CG1-CB 4.21Å; V133-A139 WeakPolarHBondContact O-CB 3.38Å; V133-L145 HydrophobicContact CG1-CD1 3.84Å
134	A	97.7	Very high	96.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-70.3	-25.6	-172.6	0	0	0	0	0	113.1	L33 I35 I130 H136 Q140 L145 L149	L33-A134 HydrophobicContact CD2-CB 3.88Å; L33-A134 WeakPolarHBondContact CD2-O 3.39Å; I35-A134 HydrophobicContact CD1-CB 3.34Å; I130-A134 VanDerWaalsContact O-CB 3.27Å; I130-A134 WeakPolarHBondContact O-CB 3.36Å; I130-A134 PolarHBondContact O-N 2.77Å; A134-H136 PolarHBondContact O-N 3.46Å; A134-Q140 VanDerWaalsContact O-CG 3.27Å; A134-Q140 WeakPolarHBondContact O-CG 3.32Å; A134-Q140 PolarHBondContact O-NE2 2.81Å; A134-L145 HydrophobicContact CB-CD1 4.39Å; A134-L145 HydrophobicContact CB-CD2 4.35Å; A134-L149 HydrophobicContact CB-CD1 4.3Å
135	G	95.7	Very high	96.7	Very high	51 Å²	51	44.3 Å²	44.3	53%	0.526	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-10.6	172.2	0	0	0	0	0	114.6	N131 V133	N131-G135 PolarHBondContact O-N 3.12Å; V133-G135 VanDerWaalsContact C-N 3.29Å; V133-G135 PolarHBondContact O-N 2.81Å
136	H	95.6	Very high	96.7	Very high	73 Å²	73	45 Å²	45	34%	0.338	24%	0.239	S	C	.	.	S	Bend	trans	-88.8	120.5	-177.6	-165.4	-63.9	0	0	0	111.4	I91 V133 A134 L138 A139 Q140	I91-H136 WeakPolarHBondContact CG2-CE1 3.41Å; I91-H136 WeakPolarHBondContact CG2-ND1 3.45Å; V133-H136 WeakPolarHBondContact O-CB 3.48Å; V133-H136 PolarHBondContact O-N 3.02Å; V133-H136 VanDerWaalsContact O-N 3.07Å; A134-H136 PolarHBondContact O-N 3.46Å; H136-L138 VanDerWaalsContact C-N 3.34Å; H136-L138 PolarHBondContact ND1-N 3.47Å; H136-L138 PolarHBondContact O-N 3.02Å; H136-A139 HydrophobicContact CB-CB 4.07Å; H136-A139 WeakPolarHBondContact O-CB 3.27Å; H136-A139 PolarHBondContact O-N 2.87Å; H136-Q140 PolarHBondContact O-N 2.96Å; H136-Q140 VanDerWaalsContact O-N 3.14Å
137	P	93.5	Very high	96.5	Very high	88 Å²	88	45.4 Å²	45.4	57%	0.571	24%	0.241	S	C	*	.	H	α-helix	trans	-55.6	-41.3	-175	-28.4	35.1	0	0	0	114.6	A139 Q140 N141	P137-A139 VanDerWaalsContact C-N 3.33Å; P137-A139 PolarHBondContact O-N 3.41Å; P137-Q140 WeakPolarHBondContact O-CB 3.16Å; P137-Q140 PolarHBondContact O-N 3.42Å; P137-N141 PolarHBondContact O-N 3.26Å
138	L	94.7	Very high	96.5	Very high	84 Å²	84	43.3 Å²	43.3	44%	0.44	23%	0.231	S	C	.	.	H	α-helix	trans	-65	-33.7	176	-63.7	179.8	0	0	0	113.4	I91 H136 Q140 N141	I91-L138 HydrophobicContact CG2-CB 3.62Å; I91-L138 HydrophobicContact CG2-CD1 4.18Å; I91-L138 HydrophobicContact CG2-CG 4.49Å; H136-L138 VanDerWaalsContact C-N 3.34Å; H136-L138 PolarHBondContact ND1-N 3.47Å; H136-L138 PolarHBondContact O-N 3.02Å; L138-Q140 VanDerWaalsContact C-N 3.33Å; L138-N141 PolarHBondContact O-N 2.85Å
139	A	96.1	Very high	96.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-70.1	-33.7	176.4	0	0	0	0	0	111.3	L85 I91 V133 H136 P137 N141 E142 L145	L85-A139 HydrophobicContact CD2-CB 4.26Å; I91-A139 HydrophobicContact CD1-CB 3.75Å; V133-A139 HydrophobicContact CG1-CB 4.21Å; V133-A139 WeakPolarHBondContact O-CB 3.38Å; H136-A139 HydrophobicContact CB-CB 4.07Å; H136-A139 WeakPolarHBondContact O-CB 3.27Å; H136-A139 PolarHBondContact O-N 2.87Å; P137-A139 VanDerWaalsContact C-N 3.33Å; P137-A139 PolarHBondContact O-N 3.41Å; A139-N141 PolarHBondContact O-N 3.12Å; A139-E142 WeakPolarHBondContact O-CB 3.27Å; A139-E142 PolarHBondContact O-N 3.08Å; A139-L145 HydrophobicContact CB-CD2 4.23Å; A139-L145 WeakPolarHBondContact O-CD2 3.26Å
140	Q	96	Very high	96.4	Very high	27 Å²	27	40.3 Å²	40.3	13%	0.126	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-18.4	175.5	-61.7	177.6	-0.7	0	0	113.1	I63 A134 H136 P137 L138 E142 L145 H146	I63-Q140 HydrophobicContact CD1-CB 3.75Å; I63-Q140 VanDerWaalsContact CD1-O 3.29Å; I63-Q140 WeakPolarHBondContact CD1-O 3.43Å; I63-Q140 HydrophobicContact CG1-CB 4.46Å; I63-Q140 HydrophobicContact CG2-CB 4.41Å; A134-Q140 VanDerWaalsContact O-CG 3.27Å; A134-Q140 WeakPolarHBondContact O-CG 3.32Å; A134-Q140 PolarHBondContact O-NE2 2.81Å; H136-Q140 PolarHBondContact O-N 2.96Å; H136-Q140 VanDerWaalsContact O-N 3.14Å; P137-Q140 WeakPolarHBondContact O-CB 3.16Å; P137-Q140 PolarHBondContact O-N 3.42Å; L138-Q140 VanDerWaalsContact C-N 3.33Å; Q140-E142 VanDerWaalsContact C-N 3.32Å; Q140-L145 HydrophobicContact CG-CD2 4.48Å; Q140-H146 PolarHBondContact O-NE2 3.36Å
141	N	94.4	Very high	96.3	Very high	112 Å²	112	44 Å²	44	60%	0.599	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.6	173.4	-65.5	-30.8	0	0	0	113	P137 L138 A139	P137-N141 PolarHBondContact O-N 3.26Å; L138-N141 PolarHBondContact O-N 2.85Å; A139-N141 PolarHBondContact O-N 3.12Å
142	E	94.6	Very high	96	Very high	39 Å²	39	50.2 Å²	50.2	18%	0.182	26%	0.256	C	S	.	.			trans	-86.8	127.7	-173.7	-55	-58.4	163.1	0	0	111.6	L85 S89 A139 Q140 C144 L145 H146	L85-E142 HydrophobicContact CD2-CB 3.98Å; L85-E142 HydrophobicContact CD2-CG 3.85Å; S89-E142 PolarHBondContact OG-OE1 3.46Å; A139-E142 WeakPolarHBondContact O-CB 3.27Å; A139-E142 PolarHBondContact O-N 3.08Å; Q140-E142 VanDerWaalsContact C-N 3.32Å; E142-C144 PolarHBondContact O-N 2.8Å; E142-L145 PolarHBondContact O-N 3.08Å; E142-L145 VanDerWaalsContact O-N 3.15Å; E142-H146 PolarHBondContact O-CD2 2.93Å; E142-H146 VanDerWaalsContact O-CD2 3.31Å
143	K	94.4	Very high	95.7	Very high	119 Å²	119	50.1 Å²	50.1	52%	0.517	27%	0.265	S	S	.	.	H	α-helix	trans	-58.9	-33.4	179.4	-175.7	177.4	179.3	-179.1	0	112.3	L145 H146 M147 C158	K143-L145 VanDerWaalsContact C-N 3.26Å; K143-L145 PolarHBondContact O-N 3.35Å; K143-H146 PolarHBondContact O-N 3.02Å; K143-M147 WeakPolarHBondContact O-CB 3.22Å; K143-M147 PolarHBondContact O-N 3.2Å; K143-C158 PolarHBondContact NZ-SG 3.1Å
144	C	95	Very high	95.3	Very high	7 Å²	7	51 Å²	51	5%	0.047	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-33.3	-179.2	60.7	0	0	0	0	112.7	W80 L81 E84 E142 F148	W80-C144 HydrophobicContact CH2-CB 3.92Å; W80-C144 HydrophobicContact CZ2-CB 4.26Å; L81-C144 HydrophobicContact CD1-CB 4.28Å; E84-C144 HydrophobicContact CB-CB 4.04Å; E84-C144 HydrophobicContact CG-CB 3.78Å; E142-C144 PolarHBondContact O-N 2.8Å; C144-F148 VanDerWaalsContact O-CB 3.23Å; C144-F148 WeakPolarHBondContact O-CB 3.39Å; C144-F148 PolarHBondContact O-N 2.92Å
145	L	97.3	Very high	94.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-46.4	176	179.6	61.7	0	0	0	111.5	L81 I130 V133 A134 A139 Q140 E142 K143 F148 L149	L81-L145 HydrophobicContact CD1-CB 4.47Å; L81-L145 HydrophobicContact CD2-CD1 4.2Å; I130-L145 HydrophobicContact CD1-CD1 4.05Å; V133-L145 HydrophobicContact CG1-CD1 3.84Å; A134-L145 HydrophobicContact CB-CD1 4.39Å; A134-L145 HydrophobicContact CB-CD2 4.35Å; A139-L145 HydrophobicContact CB-CD2 4.23Å; A139-L145 WeakPolarHBondContact O-CD2 3.26Å; Q140-L145 HydrophobicContact CG-CD2 4.48Å; E142-L145 PolarHBondContact O-N 3.08Å; E142-L145 VanDerWaalsContact O-N 3.15Å; K143-L145 VanDerWaalsContact C-N 3.26Å; K143-L145 PolarHBondContact O-N 3.35Å; L145-F148 WeakPolarHBondContact O-CB 3.37Å; L145-F148 PolarHBondContact O-N 3.07Å; L145-L149 HydrophobicContact CD1-CD1 3.59Å; L145-L149 HydrophobicContact CD1-CG 4.14Å; L145-L149 HydrophobicContact CG-CD1 3.87Å; L145-L149 WeakPolarHBondContact O-CG 3.36Å; L145-L149 PolarHBondContact O-N 2.92Å
146	H	97.1	Very high	94	Very high	36 Å²	36	56.8 Å²	56.8	17%	0.167	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-44.9	177.9	-65.4	-72.1	0	0	0	112.1	I63 F64 Q140 E142 K143 F148 L149 Q150	I63-H146 PolarHBondContact O-CE1 3.4Å; F64-H146 AromaticContact CD1-CE1 3.73Å; F64-H146 AromaticContact CD1-ND1 3.48Å; F64-H146 WeakPolarHBondContact CD1-ND1 3.27Å; F64-H146 AromaticContact CE1-CE1 3.82Å; F64-H146 AromaticContact CE1-ND1 3.76Å; Q140-H146 PolarHBondContact O-NE2 3.36Å; E142-H146 PolarHBondContact O-CD2 2.93Å; E142-H146 VanDerWaalsContact O-CD2 3.31Å; K143-H146 PolarHBondContact O-N 3.02Å; H146-F148 VanDerWaalsContact C-N 3.29Å; H146-F148 PolarHBondContact O-N 2.92Å; H146-L149 PolarHBondContact O-N 2.86Å; H146-Q150 WeakPolarHBondContact O-CB 3.47Å; H146-Q150 PolarHBondContact O-N 3.47Å
147	M	96.4	Very high	92.9	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.039	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-43.8	173.6	179.1	-178.4	-65.1	0	0	111	R73 W80 K143 L149 E151 I154 C158	R73-M147 PolarHBondContact NH2-O 3.34Å; R73-M147 VanDerWaalsContact NH2-O 3.14Å; W80-M147 HydrophobicContact CH2-CG 4.42Å; W80-M147 HydrophobicContact CH2-SD 3.84Å; W80-M147 HydrophobicContact CZ2-SD 4.3Å; K143-M147 WeakPolarHBondContact O-CB 3.22Å; K143-M147 PolarHBondContact O-N 3.2Å; M147-L149 PolarHBondContact O-N 3.31Å; M147-E151 HydrophobicContact CG-CB 4.4Å; M147-E151 WeakPolarHBondContact O-CB 3.39Å; M147-E151 PolarHBondContact O-N 3.16Å; M147-I154 HydrophobicContact CG-CG2 4.37Å; M147-I154 HydrophobicContact SD-CG2 3.84Å; M147-C158 HydrophobicContact CE-CB 3.88Å
148	F	97.9	Very high	91.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-40.1	178	-177.8	-91.7	0	0	0	112.6	R73 D77 F78 W80 L81 I130 C144 L145 H146 I154	R73-F148 HydrophobicContact CB-CE2 4.11Å; R73-F148 HydrophobicContact CB-CZ 3.94Å; R73-F148 HydrophobicContact CG-CD2 4.4Å; R73-F148 HydrophobicContact CG-CE1 4.22Å; R73-F148 HydrophobicContact CG-CE2 3.74Å; R73-F148 HydrophobicContact CG-CZ 3.63Å; R73-F148 VanDerWaalsContact CZ-O 3.23Å; R73-F148 PolarHBondContact NE-O 3.21Å; R73-F148 PolarHBondContact NH2-O 2.92Å; D77-F148 HydrophobicContact CB-CE2 4.07Å; F78-F148 HydrophobicContact CD1-CE1 4.18Å; F78-F148 HydrophobicContact CD1-CE2 4.35Å; F78-F148 AromaticContact CD1-CZ 3.54Å; F78-F148 HydrophobicContact CD1-CZ 3.54Å; F78-F148 HydrophobicContact CD2-CE2 4.27Å; F78-F148 AromaticContact CD2-CZ 3.83Å; F78-F148 HydrophobicContact CD2-CZ 3.83Å; F78-F148 AromaticContact CE1-CE1 3.92Å; F78-F148 HydrophobicContact CE1-CE1 3.92Å; F78-F148 AromaticContact CE1-CZ 3.54Å; F78-F148 HydrophobicContact CE1-CZ 3.54Å; F78-F148 AromaticContact CE2-CZ 3.81Å; F78-F148 HydrophobicContact CE2-CZ 3.81Å; F78-F148 HydrophobicContact CG-CE2 4.14Å; F78-F148 AromaticContact CG-CZ 3.69Å; F78-F148 HydrophobicContact CG-CZ 3.69Å; F78-F148 HydrophobicContact CZ-CE1 4.23Å; F78-F148 AromaticContact CZ-CZ 3.67Å; F78-F148 HydrophobicContact CZ-CZ 3.67Å; W80-F148 HydrophobicContact CZ3-CB 4.3Å; W80-F148 HydrophobicContact CZ3-CD2 4.44Å; L81-F148 HydrophobicContact CB-CD2 3.97Å; L81-F148 HydrophobicContact CB-CE2 4.42Å; L81-F148 HydrophobicContact CB-CG 4.3Å; L81-F148 HydrophobicContact CD1-CB 4.21Å; L81-F148 HydrophobicContact CD2-CB 4.03Å; L81-F148 HydrophobicContact CD2-CD1 3.65Å; L81-F148 HydrophobicContact CD2-CD2 4.04Å; L81-F148 HydrophobicContact CD2-CE1 4.1Å; L81-F148 HydrophobicContact CD2-CE2 4.45Å; L81-F148 HydrophobicContact CD2-CG 3.62Å; L81-F148 HydrophobicContact CD2-CZ 4.47Å; L81-F148 HydrophobicContact CG-CG 4.38Å; I130-F148 HydrophobicContact CD1-CD1 3.89Å; I130-F148 HydrophobicContact CD1-CE1 3.76Å; I130-F148 HydrophobicContact CG1-CE1 4.22Å; C144-F148 VanDerWaalsContact O-CB 3.23Å; C144-F148 WeakPolarHBondContact O-CB 3.39Å; C144-F148 PolarHBondContact O-N 2.92Å; L145-F148 WeakPolarHBondContact O-CB 3.37Å; L145-F148 PolarHBondContact O-N 3.07Å; H146-F148 VanDerWaalsContact C-N 3.29Å; H146-F148 PolarHBondContact O-N 2.92Å; F148-I154 HydrophobicContact CD2-CD1 4.03Å
149	L	98.6	Very high	89.4	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-89.7	-27.9	-172.9	-69.2	170.6	0	0	0	114.9	I35 V55 L57 F64 S69 I130 A134 L145 H146 M147	I35-L149 HydrophobicContact CD1-CD1 3.98Å; I35-L149 HydrophobicContact CD1-CD2 3.97Å; I35-L149 HydrophobicContact CG2-CD2 4.34Å; V55-L149 HydrophobicContact CG1-CD2 3.91Å; L57-L149 HydrophobicContact CD1-CB 4.09Å; L57-L149 HydrophobicContact CD1-CD1 3.81Å; L57-L149 HydrophobicContact CD1-CD2 4.42Å; L57-L149 HydrophobicContact CD1-CG 4.32Å; F64-L149 HydrophobicContact CE1-CD1 3.83Å; F64-L149 HydrophobicContact CZ-CD1 4.41Å; S69-L149 PolarHBondContact OG-O 2.83Å; I130-L149 HydrophobicContact CD1-CD2 4.08Å; I130-L149 HydrophobicContact CG1-CD2 3.9Å; A134-L149 HydrophobicContact CB-CD1 4.3Å; L145-L149 HydrophobicContact CD1-CD1 3.59Å; L145-L149 HydrophobicContact CD1-CG 4.14Å; L145-L149 HydrophobicContact CG-CD1 3.87Å; L145-L149 WeakPolarHBondContact O-CG 3.36Å; L145-L149 PolarHBondContact O-N 2.92Å; H146-L149 PolarHBondContact O-N 2.86Å; M147-L149 PolarHBondContact O-N 3.31Å
150	Q	97.2	Very high	87.2	Confident	26 Å²	26	63.2 Å²	63.2	12%	0.121	31%	0.307	C	S	.	.	H	α-helix	trans	-122.3	-23.7	-167.5	-51.7	-152.6	-44.8	0	0	114.9	A65 H66 H146	A65-Q150 VanDerWaalsContact N-OE1 3.08Å; H66-Q150 PolarHBondContact ND1-OE1 2.66Å; H66-Q150 PolarHBondContact O-NE2 3.43Å; H146-Q150 WeakPolarHBondContact O-CB 3.47Å; H146-Q150 PolarHBondContact O-N 3.47Å
151	E	96.3	Very high	84.9	Confident	77 Å²	77	64.7 Å²	64.7	36%	0.36	33%	0.329	S	S	.	.			trans	-89.5	137.6	-179.3	-64.3	-178.8	-158.2	0	0	110.9	R73 M147 V153	R73-E151 PolarHBondContact NH2-O 2.79Å; M147-E151 HydrophobicContact CG-CB 4.4Å; M147-E151 WeakPolarHBondContact O-CB 3.39Å; M147-E151 PolarHBondContact O-N 3.16Å; E151-V153 VanDerWaalsContact C-N 3.33Å; E151-V153 PolarHBondContact O-N 3.22Å
152	K	92.6	Very high	82.6	Confident	188 Å²	188	68.3 Å²	68.3	82%	0.817	34%	0.339	S	S	*	.	S	Bend	trans	-63.2	-40.9	179.6	-70	-176.4	178.9	-179.9	0	112.3	R73	R73-K152 PolarHBondContact NH1-O 3.29Å; R73-K152 VanDerWaalsContact NH1-O 3.08Å
153	V	91.5	Very high	80.1	Confident	116 Å²	116	73.4 Å²	73.4	70%	0.703	37%	0.367	S	S	*	.	S	Bend	trans	-113.9	131.7	-178.2	-179.2	0	0	0	0	109	E151 D155	E151-V153 VanDerWaalsContact C-N 3.33Å; E151-V153 PolarHBondContact O-N 3.22Å; V153-D155 PolarHBondContact O-N 3.16Å
154	I	89.1	Confident	77.4	Confident	20 Å²	20	77.9 Å²	77.9	10%	0.103	38%	0.381	C	S	.	.			trans	-82.8	106.2	173.4	-63.8	168.5	0	0	0	108.3	D77 W80 M147 F148 R156	D77-I154 HydrophobicContact CB-CD1 3.72Å; W80-I154 HydrophobicContact CD2-CG2 4.03Å; W80-I154 HydrophobicContact CE3-CD1 4.02Å; W80-I154 HydrophobicContact CE3-CG2 3.74Å; W80-I154 HydrophobicContact CH2-CG2 3.49Å; W80-I154 VanDerWaalsContact CH2-CG2 3.49Å; W80-I154 HydrophobicContact CZ2-CG2 3.8Å; W80-I154 HydrophobicContact CZ3-CD1 4.02Å; W80-I154 HydrophobicContact CZ3-CG1 4.31Å; W80-I154 HydrophobicContact CZ3-CG2 3.46Å; W80-I154 VanDerWaalsContact CZ3-CG2 3.46Å; M147-I154 HydrophobicContact CG-CG2 4.37Å; M147-I154 HydrophobicContact SD-CG2 3.84Å; F148-I154 HydrophobicContact CD2-CD1 4.03Å; I154-R156 HydrophobicContact CG2-CG 3.96Å; I154-R156 PolarHBondContact O-N 3.26Å
155	D	85.1	Confident	74.6	Confident	77 Å²	77	84.8 Å²	84.8	41%	0.412	42%	0.418	S	S	.	.			trans	-76	90.5	170.4	-177.2	12	0	0	0	110.7	V153 N157 C158	V153-D155 PolarHBondContact O-N 3.16Å; D155-N157 PolarHBondContact O-N 3.08Å; D155-N157 VanDerWaalsContact O-N 3.13Å; D155-N157 WeakPolarHBondContact OD1-CA 3.45Å; D155-N157 VanDerWaalsContact OD1-CB 3.32Å; D155-N157 WeakPolarHBondContact OD1-CB 3.46Å; D155-N157 PolarHBondContact OD1-N 3.43Å; D155-C158 HydrophobicContact CB-CB 4.36Å; D155-C158 WeakPolarHBondContact O-CB 3.35Å; D155-C158 PolarHBondContact O-N 3.18Å; D155-C158 VanDerWaalsContact O-N 3.15Å; D155-C158 PolarHBondContact OD1-N 3.46Å; D155-C158 PolarHBondContact OD2-N 2.98Å
156	R	81	Confident	72	Confident	95 Å²	95	96.7 Å²	96.7	36%	0.358	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.6	174.9	-58.5	178.9	-174.1	175	0.4	112.2	D77 I154 R159	D77-R156 IonicContact OD1-CZ 2.83Å; D77-R156 IonicContact OD1-NH2 2.79Å; D77-R156 PolarHBondContact OD1-NH2 2.92Å; I154-R156 HydrophobicContact CG2-CG 3.96Å; I154-R156 PolarHBondContact O-N 3.26Å; R156-R159 WeakPolarHBondContact O-CD 3.36Å; R156-R159 WeakPolarHBondContact O-CG 3.22Å; R156-R159 PolarHBondContact O-NE 3.15Å; R156-R159 PolarHBondContact O-NH2 3.14Å; R156-R159 VanDerWaalsContact O-NH2 3.14Å
157	N	71.3	Confident	70.8	Confident	103 Å²	103	99.8 Å²	99.8	55%	0.551	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-12.1	177.3	-64.3	-30	0	0	0	113.3	D155 R159 L160	D155-N157 PolarHBondContact O-N 3.08Å; D155-N157 VanDerWaalsContact O-N 3.13Å; D155-N157 WeakPolarHBondContact OD1-CA 3.45Å; D155-N157 VanDerWaalsContact OD1-CB 3.32Å; D155-N157 WeakPolarHBondContact OD1-CB 3.46Å; D155-N157 PolarHBondContact OD1-N 3.43Å; N157-R159 PolarHBondContact O-N 3.21Å; N157-L160 WeakPolarHBondContact O-CB 3.44Å; N157-L160 PolarHBondContact O-N 3.26Å
158	C	59.4	Low	69.4	Low	46 Å²	46	104.6 Å²	104.6	31%	0.311	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-55.7	-17.1	172.4	-172.4	0	0	0	0	112.6	K143 M147 D155 L160 G161	K143-C158 PolarHBondContact NZ-SG 3.1Å; M147-C158 HydrophobicContact CE-CB 3.88Å; D155-C158 HydrophobicContact CB-CB 4.36Å; D155-C158 WeakPolarHBondContact O-CB 3.35Å; D155-C158 PolarHBondContact O-N 3.18Å; D155-C158 VanDerWaalsContact O-N 3.15Å; D155-C158 PolarHBondContact OD1-N 3.46Å; D155-C158 PolarHBondContact OD2-N 2.98Å; C158-L160 VanDerWaalsContact C-N 3.29Å; C158-L160 PolarHBondContact O-N 2.81Å; C158-G161 PolarHBondContact O-N 3.07Å
159	R	56.7	Low	67.8	Low	123 Å²	123	110.4 Å²	110.4	46%	0.464	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-52.4	-38.8	166.1	-64.2	-176.1	-64.3	-154.2	-3.9	113.9	R156 N157 G161	R156-R159 WeakPolarHBondContact O-CD 3.36Å; R156-R159 WeakPolarHBondContact O-CG 3.22Å; R156-R159 PolarHBondContact O-NE 3.15Å; R156-R159 PolarHBondContact O-NH2 3.14Å; R156-R159 VanDerWaalsContact O-NH2 3.14Å; N157-R159 PolarHBondContact O-N 3.21Å; R159-G161 VanDerWaalsContact C-N 3.26Å; R159-G161 PolarHBondContact O-N 3.29Å
160	L	49.3	Very low	66	Low	109 Å²	109	116.9 Å²	116.9	57%	0.571	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-78	-8.1	-171.6	-65	173.6	0	0	0	113.5	N157 C158 K162 L163	N157-L160 WeakPolarHBondContact O-CB 3.44Å; N157-L160 PolarHBondContact O-N 3.26Å; C158-L160 VanDerWaalsContact C-N 3.29Å; C158-L160 PolarHBondContact O-N 2.81Å; L160-K162 PolarHBondContact O-N 2.73Å; L160-L163 HydrophobicContact CD2-CD1 4.03Å; L160-L163 PolarHBondContact O-N 2.99Å
161	G	47.4	Very low	64.1	Low	57 Å²	57	122.6 Å²	122.6	59%	0.588	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-64	-22.2	178.9	0	0	0	0	0	114.3	C158 R159	C158-G161 PolarHBondContact O-N 3.07Å; R159-G161 VanDerWaalsContact C-N 3.26Å; R159-G161 PolarHBondContact O-N 3.29Å
162	K	46.5	Very low	61.9	Low	188 Å²	188	125.6 Å²	125.6	82%	0.817	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-91.2	2.2	178.6	-77.6	-175.2	178.2	171.3	0	114.8	L160 R164	L160-K162 PolarHBondContact O-N 2.73Å; K162-R164 VanDerWaalsContact C-N 3.29Å; K162-R164 PolarHBondContact O-N 2.7Å
163	L	41.9	Very low	59.8	Low	146 Å²	146	121.1 Å²	121.1	76%	0.764	61%	0.61	S	S	*	*			trans	-90.8	24.9	174	-75.9	174.6	0	0	0	113.9	L160	L160-L163 HydrophobicContact CD2-CD1 4.03Å; L160-L163 PolarHBondContact O-N 2.99Å
164	R	38.1	Very low	57.3	Low	213 Å²	213	121.5 Å²	121.5	80%	0.804	60%	0.603	S	S	*	*			trans	-98.3	96.9	162.5	-61.1	-173.1	-161.3	-177.9	5.2	107.5	K162	K162-R164 VanDerWaalsContact C-N 3.29Å; K162-R164 PolarHBondContact O-N 2.7Å
165	N	35.4	Very low	54.7	Low	153 Å²	153	130 Å²	130	82%	0.818	65%	0.645	S	S	*	*			trans	165.2	95.5	148.5	-80.1	-19.4	0	0	0	107.9
166	I	43.8	Very low	51.9	Low	250 Å²	250	134.8 Å²	134.8	100%	1.282	67%	0.666	S	S	*	*			trans	176.4	0	133.7	-79.7	148.6	0	0	0	106.1

Retrieved 166 of 166 residues in 51.1 ms (Link to these results)

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