A0A061I635_CRIGR Loading...

Myelin protein zero-like 3

AlphaFold DB , UniProt , Accession A0A061I635, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mpzl3, Length 236 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	47.3	Very low	244 Å²	244	152.4 Å²	152.4	100%	1.202	89%	0.886	S	S	*	*				0	103.8	0	-76.2	-178.2	176.1	0	0	107
2	Q	37.4	Very low	48.1	Very low	189 Å²	189	145.8 Å²	145.8	88%	0.883	88%	0.876	S	S	*	*			trans	-121.4	128	-176.3	-139.6	94	16.5	0	0	107.8
3	Q	44.6	Very low	48.7	Very low	178 Å²	178	144.5 Å²	144.5	83%	0.832	88%	0.875	S	S	*	*			trans	-107.7	141.5	163.4	-165.6	166	12.3	0	0	108
4	P	50.9	Low	49.2	Very low	116 Å²	116	138.9 Å²	138.9	75%	0.753	85%	0.852	S	S	*	*			trans	-133.5	149.5	139.3	25.4	-7.4	0	0	0	112.8
5	R	51.4	Low	49.3	Very low	245 Å²	245	138.9 Å²	138.9	93%	0.925	84%	0.843	S	S	*	*			trans	-75.2	146.5	162.3	-79	174.9	165.5	160.9	-4.8	109.7
6	G	41.7	Very low	49.6	Very low	81 Å²	81	141.6 Å²	141.6	84%	0.835	84%	0.84	S	S	*	*			trans	178.8	130.7	166.4	0	0	0	0	0	112
7	A	49.2	Very low	49.8	Very low	104 Å²	104	137.3 Å²	137.3	86%	0.86	82%	0.817	S	S	*	*			trans	-93	176.6	-162.5	0	0	0	0	0	115.6
8	A	45.8	Very low	49.9	Very low	108 Å²	108	135.7 Å²	135.7	89%	0.893	80%	0.804	S	S	*	*			trans	110.4	136.4	143	0	0	0	0	0	118
9	G	44.6	Very low	50.1	Low	76 Å²	76	134.4 Å²	134.4	78%	0.784	79%	0.792	S	S	*	*			trans	140.9	46.2	155.1	0	0	0	0	0	117.4	R11	G9-R11 PolarHBondContact O-N 2.95Å
10	G	57.3	Low	50.3	Low	79 Å²	79	131.3 Å²	131.3	81%	0.814	78%	0.777	S	S	*	*			trans	-71.3	122	162.4	0	0	0	0	0	109.9
11	R	57.5	Low	50.5	Low	256 Å²	256	130.6 Å²	130.6	97%	0.966	77%	0.769	S	S	*	*			trans	-168.4	92.3	169.9	-113.1	172.3	150.5	-158.3	-9.5	111.1	G9	G9-R11 PolarHBondContact O-N 2.95Å
12	G	56.4	Low	51.1	Low	74 Å²	74	124.8 Å²	124.8	76%	0.763	74%	0.742	S	S	*	*			trans	174.9	57.9	174.3	0	0	0	0	0	114.1
13	C	56.6	Low	51.8	Low	129 Å²	129	124.4 Å²	124.4	87%	0.872	74%	0.738	S	S	*	*	S	Bend	trans	-168.3	50.8	166.1	-105	0	0	0	0	112.2
14	A	55.3	Low	52.4	Low	66 Å²	66	121.2 Å²	121.2	55%	0.545	73%	0.73	S	S	.	*			trans	-131.3	6	178.7	0	0	0	0	0	114.5	L18	A14-L18 WeakPolarHBondContact O-CD1 3.42Å
15	L	51.2	Low	52.8	Low	138 Å²	138	124 Å²	124	72%	0.723	73%	0.733	S	S	*	*	S	Bend	trans	-97	-18.7	-176.7	-70.4	171.4	0	0	0	114.2
16	F	53.4	Low	53.1	Low	182 Å²	182	114.8 Å²	114.8	80%	0.798	72%	0.715	S	S	*	*	H	α-helix	trans	-82.5	-28.7	178.7	-73.1	-76.9	0	0	0	116.5	S20	F16-S20 PolarHBondContact O-OG 3.46Å; F16-S20 VanDerWaalsContact O-OG 3.06Å
17	P	53.7	Low	54.1	Low	69 Å²	69	117.3 Å²	117.3	45%	0.448	71%	0.714	S	S	.	*	H	α-helix	trans	-82.6	-19.5	178.3	32.2	-31.3	0	0	0	113.1	S20 I21	P17-S20 PolarHBondContact O-OG 3.43Å; P17-I21 WeakPolarHBondContact O-CD1 3.35Å; P17-I21 VanDerWaalsContact O-CG1 3.31Å; P17-I21 WeakPolarHBondContact O-CG1 3.46Å; P17-I21 PolarHBondContact O-N 3.47Å
18	L	51.5	Low	54.7	Low	109 Å²	109	120.2 Å²	120.2	57%	0.571	71%	0.709	S	S	*	*	H	α-helix	trans	-77	-33.1	-179.9	-77.4	166.2	0	0	0	112.6	A14	A14-L18 WeakPolarHBondContact O-CD1 3.42Å
19	L	52.8	Low	55.7	Low	111 Å²	111	121.2 Å²	121.2	58%	0.581	70%	0.704	S	S	*	*	H	α-helix	trans	-70.6	-31.1	176.2	-100.9	144	0	0	0	112.5	F23	L19-F23 WeakPolarHBondContact O-CD2 3.4Å
20	S	54.5	Low	56.9	Low	72 Å²	72	122.9 Å²	122.9	50%	0.503	70%	0.699	S	S	.	*	H	α-helix	trans	-77	-27.1	178.4	21.5	0	0	0	0	113.1	F16 P17	F16-S20 PolarHBondContact O-OG 3.46Å; F16-S20 VanDerWaalsContact O-OG 3.06Å; P17-S20 PolarHBondContact O-OG 3.43Å
21	I	54.2	Low	58.1	Low	117 Å²	117	122.7 Å²	122.7	60%	0.6	68%	0.679	S	S	*	*	H	α-helix	trans	-73.9	-26.7	175.4	-66.4	165.3	0	0	0	111.8	P17 F23	P17-I21 WeakPolarHBondContact O-CD1 3.35Å; P17-I21 VanDerWaalsContact O-CG1 3.31Å; P17-I21 WeakPolarHBondContact O-CG1 3.46Å; P17-I21 PolarHBondContact O-N 3.47Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 3.09Å
22	L	53.1	Low	59.6	Low	121 Å²	121	112.8 Å²	112.8	63%	0.634	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-16.2	177.8	-81.7	159.7	0	0	0	114.4
23	F	52.6	Low	61.4	Low	181 Å²	181	109.5 Å²	109.5	79%	0.794	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-4.9	179.5	-87.4	-81.6	0	0	0	114.7	L19 I21	L19-F23 WeakPolarHBondContact O-CD2 3.4Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 3.09Å
24	V	57.2	Low	63.2	Low	112 Å²	112	109 Å²	109	68%	0.679	60%	0.599	S	S	*	*	S	Bend	trans	-97.3	-7.7	-175.2	-164	0	0	0	0	112.8	G26	V24-G26 PolarHBondContact O-N 3.32Å; V24-G26 VanDerWaalsContact O-N 3.15Å
25	Q	58.3	Low	65.2	Low	173 Å²	173	106.7 Å²	106.7	81%	0.808	58%	0.577	S	S	*	*	S	Bend	trans	-88.3	78.7	179.3	-68.8	-171.5	-33.3	0	0	111.3
26	G	58.9	Low	67.4	Low	53 Å²	53	103.2 Å²	103.2	55%	0.546	57%	0.565	S	S	.	*			trans	179	26.4	175	0	0	0	0	0	116.8	V24 H28	V24-G26 PolarHBondContact O-N 3.32Å; V24-G26 VanDerWaalsContact O-N 3.15Å; G26-H28 VanDerWaalsContact C-N 3.32Å; G26-H28 PolarHBondContact O-N 3.1Å; G26-H28 VanDerWaalsContact O-N 3.12Å
27	V	61.3	Low	69.5	Low	133 Å²	133	95.5 Å²	95.5	81%	0.806	53%	0.534	S	S	*	.			trans	-82	88.4	166.6	-166.5	0	0	0	0	107.1	T29	V27-T29 PolarHBondContact O-N 3.1Å
28	H	61.8	Low	71.6	Confident	165 Å²	165	95.7 Å²	95.7	76%	0.764	53%	0.532	S	S	*	.			trans	-65.5	114.4	167.8	-70.6	-70.7	0	0	0	107.9	G26 V30	G26-H28 VanDerWaalsContact C-N 3.32Å; G26-H28 PolarHBondContact O-N 3.1Å; G26-H28 VanDerWaalsContact O-N 3.12Å; H28-V30 PolarHBondContact O-N 3.48Å
29	T	66.6	Low	73.8	Confident	129 Å²	129	93.4 Å²	93.4	79%	0.791	53%	0.528	S	S	*	.			trans	-62	107.8	169.8	-21.7	0	0	0	0	107.3	V27 L31	V27-T29 PolarHBondContact O-N 3.1Å; T29-L31 PolarHBondContact O-N 2.94Å
30	V	71.6	Confident	76	Confident	111 Å²	111	94.3 Å²	94.3	67%	0.673	53%	0.529	S	S	*	.			trans	-74.4	109.6	177.4	-178.7	0	0	0	0	107.4	H28	H28-V30 PolarHBondContact O-N 3.48Å
31	L	82.8	Confident	78.1	Confident	75 Å²	75	91.7 Å²	91.7	39%	0.393	51%	0.51	S	S	.	.			trans	-78.2	117.9	171.4	-65.1	168.1	0	0	0	108	T29 S58 P135 D136	T29-L31 PolarHBondContact O-N 2.94Å; L31-S58 WeakPolarHBondContact CA-OG 3.5Å; L31-P135 HydrophobicContact CD1-CB 3.78Å; L31-P135 HydrophobicContact CD1-CG 3.63Å; L31-P135 HydrophobicContact CD2-CG 3.98Å; L31-P135 HydrophobicContact CG-CG 4.4Å; L31-D136 WeakPolarHBondContact CD2-OD1 3.48Å
32	S	88.4	Confident	80.1	Confident	48 Å²	48	95.9 Å²	95.9	34%	0.336	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	134.3	-171.1	-175.4	0	0	0	0	111.1	S58	S32-S58 PolarHBondContact N-OG 2.96Å; S32-S58 PolarHBondContact O-N 3.17Å; S32-S58 VanDerWaalsContact O-N 3.12Å; S32-S58 PolarHBondContact O-OG 3.31Å
33	L	93.8	Very high	82.2	Confident	6 Å²	6	90.3 Å²	90.3	3%	0.031	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	113.8	169.7	-177.8	62.8	0	0	0	109.2	I35 F55 K56 V131 D136 V137	L33-I35 HydrophobicContact CG-CG1 4.28Å; L33-F55 HydrophobicContact CD1-CB 4.16Å; L33-F55 HydrophobicContact CD1-CD2 3.86Å; L33-F55 HydrophobicContact CD1-CG 4.42Å; L33-K56 WeakPolarHBondContact CA-O 3.35Å; L33-V131 HydrophobicContact CD2-CB 4.17Å; L33-V131 HydrophobicContact CD2-CG1 4.14Å; L33-V131 WeakPolarHBondContact CD2-O 3.42Å; L33-D136 HydrophobicContact CB-CB 3.91Å; L33-V137 PolarHBondContact N-O 2.56Å
34	E	94.8	Very high	84.3	Confident	117 Å²	117	86 Å²	86	55%	0.547	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.3	174.8	-172	-175.8	177.2	0	0	109.3	F55 K56	E34-F55 CarbonylContact O-C 3.56Å; E34-F55 WeakPolarHBondContact O-CA 3.49Å; E34-F55 WeakPolarHBondContact O-CB 3.31Å; E34-K56 HydrophobicContact CB-CB 4.47Å; E34-K56 PolarHBondContact N-O 3.43Å; E34-K56 PolarHBondContact O-N 2.94Å
35	I	96.7	Very high	86.1	Confident	19 Å²	19	83.5 Å²	83.5	10%	0.097	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.3	178.4	-47.8	170.7	0	0	0	108.1	L33 T54 F55 V131 P142	L33-I35 HydrophobicContact CG-CG1 4.28Å; I35-T54 CarbonylContact C-O 3.21Å; I35-T54 WeakPolarHBondContact CA-O 3.45Å; I35-F55 HydrophobicContact CG1-CB 4.4Å; I35-V131 HydrophobicContact CD1-CB 3.79Å; I35-V131 HydrophobicContact CD1-CG2 4.08Å; I35-V131 HydrophobicContact CG1-CB 4.16Å; I35-V131 HydrophobicContact CG1-CG2 4.3Å; I35-V131 HydrophobicContact CG2-CG2 4.23Å; I35-P142 HydrophobicContact CB-CG 4.07Å; I35-P142 HydrophobicContact CG2-CG 3.61Å
36	S	96.9	Very high	87.9	Confident	65 Å²	65	77.1 Å²	77.1	46%	0.455	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.1	-179.6	-177.5	0	0	0	0	110.3	C53 T54	S36-C53 CarbonylContact O-C 3.59Å; S36-C53 WeakPolarHBondContact O-CA 3.34Å; S36-T54 PolarHBondContact N-O 3.31Å; S36-T54 PolarHBondContact O-N 2.96Å; S36-T54 PolarHBondContact O-OG1 3.24Å
37	A	97.9	Very high	89.7	Confident	20 Å²	20	77.9 Å²	77.9	17%	0.165	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	160	175.5	0	0	0	0	0	109.8	A39 K52 C53 P142	A37-A39 PolarHBondContact O-N 3.11Å; A37-K52 WeakPolarHBondContact CA-O 3.34Å; A37-K52 VanDerWaalsContact CB-O 3.28Å; A37-K52 WeakPolarHBondContact CB-O 3.24Å; A37-C53 HydrophobicContact CB-CB 4.47Å; A37-P142 HydrophobicContact CB-CB 3.97Å; A37-P142 HydrophobicContact CB-CG 3.94Å
38	D	97.9	Very high	91.4	Very high	73 Å²	73	78.7 Å²	78.7	39%	0.39	42%	0.417	S	S	.	.			trans	-68.7	126.2	174.9	-64.7	-35.5	0	0	0	109.1	H40 V41 K52 T144	D38-H40 VanDerWaalsContact C-N 3.32Å; D38-H40 PolarHBondContact O-N 3.34Å; D38-V41 HydrophobicContact CB-CG2 3.89Å; D38-K52 WeakPolarHBondContact OD2-CB 3.47Å; D38-T144 VanDerWaalsContact O-CB 3.26Å; D38-T144 WeakPolarHBondContact O-CB 3.46Å; D38-T144 WeakPolarHBondContact O-CG2 3.27Å; D38-T144 PolarHBondContact O-OG1 3.13Å
39	A	97.9	Very high	93.2	Very high	61 Å²	61	71.4 Å²	71.4	50%	0.504	38%	0.384	S	S	.	.	S	Bend	trans	-66.6	-35	-177.4	0	0	0	0	0	112.5	A37 E145	A37-A39 PolarHBondContact O-N 3.11Å; A39-E145 PolarHBondContact O-N 2.88Å
40	H	98.3	Very high	94.7	Very high	130 Å²	130	70.2 Å²	70.2	60%	0.602	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	129.8	178.3	-60.6	78.9	0	0	0	109.6	D38 E145	D38-H40 VanDerWaalsContact C-N 3.32Å; D38-H40 PolarHBondContact O-N 3.34Å; H40-E145 CarbonylContact C-O 3.55Å; H40-E145 WeakPolarHBondContact CA-O 3.25Å; H40-E145 IonicContact CD2-OE2 3.5Å; H40-E145 IonicContact NE2-OE2 3.44Å; H40-E145 PolarHBondContact NE2-OE2 3.42Å
41	V	98.4	Very high	96	Very high	16 Å²	16	64.9 Å²	64.9	10%	0.097	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.8	175	176.1	0	0	0	0	108.1	D38 I49 L51 T144 E145 L146 T147	D38-V41 HydrophobicContact CB-CG2 3.89Å; V41-I49 HydrophobicContact CG1-CG2 3.61Å; V41-L51 HydrophobicContact CB-CD2 4.24Å; V41-L51 HydrophobicContact CG1-CD2 4.19Å; V41-L51 HydrophobicContact CG2-CD2 4.23Å; V41-T144 HydrophobicContact CB-CG2 4.17Å; V41-T144 HydrophobicContact CG2-CG2 3.6Å; V41-E145 PolarHBondContact N-O 3.34Å; V41-L146 HydrophobicContact CB-CD1 4.18Å; V41-L146 HydrophobicContact CG1-CD1 3.95Å; V41-L146 WeakPolarHBondContact O-CA 3.32Å; V41-T147 PolarHBondContact O-N 3.26Å
42	R	97.5	Very high	96.7	Very high	205 Å²	205	66 Å²	66	77%	0.774	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	138	170.5	-70	-175.3	173.2	121	0.1	109.3	T147	R42-T147 WeakPolarHBondContact CA-O 2.94Å
43	G	96.3	Very high	97.2	Very high	4 Å²	4	63.7 Å²	63.7	4%	0.041	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	-177.4	168.9	0	0	0	0	0	112.2	I49 T147 V148 T149	G43-I49 VanDerWaalsContact CA-CD1 3.5Å; G43-T147 PolarHBondContact N-O 2.75Å; G43-V148 WeakPolarHBondContact O-CA 3.31Å; G43-T149 PolarHBondContact O-N 2.91Å
44	Y	96.3	Very high	97.4	Very high	90 Å²	90	65.5 Å²	65.5	35%	0.353	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.4	-169.7	-59.6	-76.4	0	0	0	111.4	G46 E47 P119 T149 R151	Y44-G46 PolarHBondContact O-N 2.96Å; Y44-E47 WeakPolarHBondContact CD2-OE2 3.4Å; Y44-E47 PolarHBondContact O-N 3.49Å; Y44-P119 WeakPolarHBondContact O-CG 3.1Å; Y44-T149 WeakPolarHBondContact CA-O 3.03Å; Y44-R151 HydrophobicContact CD1-CB 4.43Å; Y44-R151 HydrophobicContact CD1-CG 3.38Å; Y44-R151 HydrophobicContact CD2-CG 4.25Å; Y44-R151 HydrophobicContact CE1-CG 3.83Å; Y44-R151 HydrophobicContact CG-CG 3.61Å
45	V	96.6	Very high	97.5	Very high	60 Å²	60	60.5 Å²	60.5	36%	0.364	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	129.9	176.9	177.5	0	0	0	0	110.1	E47 P119 L121 V148 T149 E150	V45-E47 PolarHBondContact O-N 2.93Å; V45-P119 WeakPolarHBondContact CA-O 3.39Å; V45-L121 HydrophobicContact CG2-CD2 3.8Å; V45-L121 HydrophobicContact CG2-CG 4.07Å; V45-V148 HydrophobicContact CG2-CG1 3.82Å; V45-T149 PolarHBondContact N-O 3.44Å; V45-E150 HydrophobicContact CG2-CG 3.98Å
46	G	96.2	Very high	97.4	Very high	40 Å²	40	66.9 Å²	66.9	41%	0.412	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-19.8	179.6	0	0	0	0	0	115.8	Y44 N118 P119	Y44-G46 PolarHBondContact O-N 2.96Å; G46-N118 WeakPolarHBondContact CA-OD1 3.5Å; G46-P119 PolarHBondContact N-O 3.24Å
47	E	96.1	Very high	97.3	Very high	69 Å²	69	65.6 Å²	65.6	32%	0.322	33%	0.327	S	S	.	.	S	Bend	trans	-87.9	131.8	-177.2	-61.7	-169.9	168.9	0	0	111.3	Y44 V45 I49 P119 R151	Y44-E47 WeakPolarHBondContact CD2-OE2 3.4Å; Y44-E47 PolarHBondContact O-N 3.49Å; V45-E47 PolarHBondContact O-N 2.93Å; E47-I49 WeakPolarHBondContact O-CG1 3.33Å; E47-I49 PolarHBondContact O-N 3.44Å; E47-P119 WeakPolarHBondContact O-CD 3.37Å; E47-P119 WeakPolarHBondContact O-CG 3.34Å; E47-R151 VanDerWaalsContact CD-NH2 3.3Å; E47-R151 IonicContact OE1-CZ 3.72Å; E47-R151 IonicContact OE1-NE 3.4Å; E47-R151 PolarHBondContact OE1-NE 3.24Å; E47-R151 IonicContact OE1-NH1 2.73Å; E47-R151 PolarHBondContact OE1-NH1 2.85Å; E47-R151 IonicContact OE1-NH2 3.52Å; E47-R151 PolarHBondContact OE1-NH2 3.42Å; E47-R151 VanDerWaalsContact OE1-NH2 3.12Å; E47-R151 IonicContact OE2-CZ 2.81Å; E47-R151 IonicContact OE2-NE 3.32Å; E47-R151 IonicContact OE2-NH1 3.83Å; E47-R151 IonicContact OE2-NH2 3.12Å; E47-R151 PolarHBondContact OE2-NH2 2.95Å
48	K	97.5	Very high	97	Very high	149 Å²	149	68 Å²	68	65%	0.648	34%	0.342	S	S	*	.			trans	-60.3	129.3	178.1	-176.6	-179	-69.2	-174.6	0	110.3	I116	K48-I116 WeakPolarHBondContact CA-O 3.22Å
49	I	97.8	Very high	96.8	Very high	13 Å²	13	65.7 Å²	65.7	7%	0.067	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.5	179.7	-61.8	165.8	0	0	0	109.3	V41 G43 E47 L51 S115 I116 P119 L146 V148	V41-I49 HydrophobicContact CG1-CG2 3.61Å; G43-I49 VanDerWaalsContact CA-CD1 3.5Å; E47-I49 WeakPolarHBondContact O-CG1 3.33Å; E47-I49 PolarHBondContact O-N 3.44Å; I49-L51 HydrophobicContact CG2-CD2 4.39Å; I49-S115 CarbonylContact O-C 3.55Å; I49-S115 WeakPolarHBondContact O-CA 3.36Å; I49-S115 WeakPolarHBondContact O-CB 3.18Å; I49-I116 PolarHBondContact N-O 2.95Å; I49-I116 PolarHBondContact O-N 3.02Å; I49-P119 HydrophobicContact CD1-CB 3.89Å; I49-P119 HydrophobicContact CD1-CG 3.52Å; I49-P119 HydrophobicContact CG1-CG 4.03Å; I49-L146 HydrophobicContact CD1-CD1 4.06Å; I49-L146 HydrophobicContact CG2-CD1 4.17Å; I49-V148 HydrophobicContact CD1-CG2 4.26Å
50	K	98.3	Very high	96.5	Very high	103 Å²	103	69.7 Å²	69.7	45%	0.448	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.7	170.8	-179.5	174.5	179.7	172.9	0	109.5	V104 D111 S113	K50-V104 HydrophobicContact CD-CG2 4.25Å; K50-V104 HydrophobicContact CG-CG2 4.16Å; K50-D111 IonicContact NZ-OD2 2.73Å; K50-S113 WeakPolarHBondContact CE-OG 3.46Å
51	L	98.6	Very high	96.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	106.5	166.2	-60	-175.1	0	0	0	108	V41 I49 W69 S113 I114 I116 F127 T144 L146	V41-L51 HydrophobicContact CB-CD2 4.24Å; V41-L51 HydrophobicContact CG1-CD2 4.19Å; V41-L51 HydrophobicContact CG2-CD2 4.23Å; I49-L51 HydrophobicContact CG2-CD2 4.39Å; L51-W69 HydrophobicContact CB-CH2 3.65Å; L51-W69 HydrophobicContact CB-CZ2 4.26Å; L51-W69 HydrophobicContact CB-CZ3 4.07Å; L51-W69 HydrophobicContact CD1-CH2 4.44Å; L51-W69 HydrophobicContact CD1-CZ3 4.01Å; L51-S113 WeakPolarHBondContact O-CA 3.43Å; L51-S113 WeakPolarHBondContact O-CB 3.49Å; L51-I114 HydrophobicContact CB-CG1 4.14Å; L51-I114 HydrophobicContact CD1-CD1 4.35Å; L51-I114 HydrophobicContact CD1-CG1 4.4Å; L51-I114 PolarHBondContact N-O 3.14Å; L51-I114 PolarHBondContact O-N 3.29Å; L51-I116 HydrophobicContact CD1-CD1 3.82Å; L51-I116 HydrophobicContact CD1-CG1 4.44Å; L51-I116 HydrophobicContact CG-CD1 4.23Å; L51-F127 HydrophobicContact CD1-CB 3.97Å; L51-F127 HydrophobicContact CD1-CD1 3.49Å; L51-F127 VanDerWaalsContact CD1-CD1 3.49Å; L51-F127 HydrophobicContact CD1-CD2 4.04Å; L51-F127 HydrophobicContact CD1-CE1 3.92Å; L51-F127 HydrophobicContact CD1-CE2 4.45Å; L51-F127 HydrophobicContact CD1-CG 3.55Å; L51-F127 HydrophobicContact CD1-CZ 4.37Å; L51-T144 HydrophobicContact CD2-CG2 4.2Å; L51-L146 HydrophobicContact CD2-CD1 4.45Å
52	K	98.4	Very high	96	Very high	97 Å²	97	67.8 Å²	67.8	42%	0.422	34%	0.342	S	S	.	.			trans	-78.4	127.6	-177	-171.9	-178.5	175	-172.4	0	110.3	A37 D38 S113	A37-K52 WeakPolarHBondContact CA-O 3.34Å; A37-K52 VanDerWaalsContact CB-O 3.28Å; A37-K52 WeakPolarHBondContact CB-O 3.24Å; D38-K52 WeakPolarHBondContact OD2-CB 3.47Å; K52-S113 WeakPolarHBondContact CA-OG 3.44Å
53	C	98.4	Very high	95.8	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	131.2	168.7	178.8	0	0	0	0	108.8	S36 A37 W69 A112 S113 C129	S36-C53 CarbonylContact O-C 3.59Å; S36-C53 WeakPolarHBondContact O-CA 3.34Å; A37-C53 HydrophobicContact CB-CB 4.47Å; C53-W69 HydrophobicContact CB-CH2 3.96Å; C53-W69 HydrophobicContact CB-CZ2 3.38Å; C53-A112 HydrophobicContact CB-CB 4.1Å; C53-A112 CarbonylContact O-C 3.59Å; C53-A112 WeakPolarHBondContact O-CA 3.5Å; C53-A112 PolarHBondContact O-N 3.11Å; C53-S113 PolarHBondContact N-OG 2.86Å; C53-S113 VanDerWaalsContact N-OG 3.13Å; C53-S113 PolarHBondContact O-N 3.43Å; C53-S113 PolarHBondContact O-OG 3.29Å; C53-C129 HydrophobicContact CB-CB 3.66Å; C53-C129 WeakPolarHBondContact CB-SG 3.32Å; C53-C129 WeakPolarHBondContact SG-CB 3.4Å; C53-C129 CovalentContact SG-SG 2.04Å; C53-C129 PolarHBondContact SG-SG 3.01Å
54	T	98.1	Very high	95.7	Very high	44 Å²	44	69.7 Å²	69.7	27%	0.27	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151.9	178.9	53.7	0	0	0	0	109.7	I35 S36 G110	I35-T54 CarbonylContact C-O 3.21Å; I35-T54 WeakPolarHBondContact CA-O 3.45Å; S36-T54 PolarHBondContact N-O 3.31Å; S36-T54 PolarHBondContact O-N 2.96Å; S36-T54 PolarHBondContact O-OG1 3.24Å; T54-G110 CarbonylContact C-O 3.57Å; T54-G110 WeakPolarHBondContact CA-O 3.32Å; T54-G110 WeakPolarHBondContact CB-O 3.26Å
55	F	96.7	Very high	95.8	Very high	12 Å²	12	65.4 Å²	65.4	5%	0.053	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.3	178.5	68.2	-85.9	0	0	0	111.9	L33 E34 I35 V61 L65 V107 G110 A112 V131	L33-F55 HydrophobicContact CD1-CB 4.16Å; L33-F55 HydrophobicContact CD1-CD2 3.86Å; L33-F55 HydrophobicContact CD1-CG 4.42Å; E34-F55 CarbonylContact O-C 3.56Å; E34-F55 WeakPolarHBondContact O-CA 3.49Å; E34-F55 WeakPolarHBondContact O-CB 3.31Å; I35-F55 HydrophobicContact CG1-CB 4.4Å; F55-V61 HydrophobicContact CE2-CG2 4.13Å; F55-V61 HydrophobicContact CZ-CG2 4.29Å; F55-L65 HydrophobicContact CE2-CD1 3.77Å; F55-L65 HydrophobicContact CZ-CD1 3.63Å; F55-V107 WeakPolarHBondContact CZ-O 3.36Å; F55-G110 PolarHBondContact N-O 3.17Å; F55-G110 WeakPolarHBondContact O-CA 3.21Å; F55-A112 HydrophobicContact CD1-CB 4.12Å; F55-A112 HydrophobicContact CE1-CB 4.39Å; F55-V131 HydrophobicContact CB-CB 4.5Å; F55-V131 HydrophobicContact CB-CG1 4.37Å; F55-V131 HydrophobicContact CB-CG2 4.26Å; F55-V131 HydrophobicContact CD1-CG1 4.05Å; F55-V131 HydrophobicContact CD1-CG2 4.15Å; F55-V131 HydrophobicContact CD2-CG1 4.1Å; F55-V131 HydrophobicContact CE1-CG1 4.35Å; F55-V131 HydrophobicContact CE2-CG1 4.4Å; F55-V131 HydrophobicContact CG-CG1 3.92Å; F55-V131 HydrophobicContact CG-CG2 4.34Å
56	K	95.4	Very high	95.8	Very high	154 Å²	154	63.6 Å²	63.6	67%	0.67	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	124.8	171.2	-67	-180	-178.6	172.8	0	108.4	L33 E34	L33-K56 WeakPolarHBondContact CA-O 3.35Å; E34-K56 HydrophobicContact CB-CB 4.47Å; E34-K56 PolarHBondContact N-O 3.43Å; E34-K56 PolarHBondContact O-N 2.94Å
57	S	94.3	Very high	95.9	Very high	37 Å²	37	61.7 Å²	61.7	26%	0.259	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.4	-177.4	-144.2	0	0	0	0	108.8	S59 N133 D136	S57-S59 VanDerWaalsContact C-N 3.32Å; S57-S59 WeakPolarHBondContact CB-O 3.07Å; S57-S59 PolarHBondContact OG-O 3.4Å; S57-N133 PolarHBondContact OG-ND2 3.22Å; S57-D136 WeakPolarHBondContact CB-OD2 3.35Å; S57-D136 PolarHBondContact OG-OD2 2.94Å
58	S	92.7	Very high	96	Very high	70 Å²	70	60.3 Å²	60.3	49%	0.49	31%	0.308	S	S	.	.	S	Bend	trans	-75.8	-24.8	166.9	43.6	0	0	0	0	112.8	L31 S32 D136	L31-S58 WeakPolarHBondContact CA-OG 3.5Å; S32-S58 PolarHBondContact N-OG 2.96Å; S32-S58 PolarHBondContact O-N 3.17Å; S32-S58 VanDerWaalsContact O-N 3.12Å; S32-S58 PolarHBondContact O-OG 3.31Å; S58-D136 PolarHBondContact N-OD2 3.34Å; S58-D136 PolarHBondContact OG-OD1 2.85Å; S58-D136 PolarHBondContact OG-OD2 2.96Å
59	S	92.3	Very high	96.1	Very high	25 Å²	25	53.2 Å²	53.2	18%	0.175	28%	0.277	C	S	.	.	S	Bend	trans	-94.8	149.7	177.3	-62.7	0	0	0	0	111.7	S57 N133 P135 D136	S57-S59 VanDerWaalsContact C-N 3.32Å; S57-S59 WeakPolarHBondContact CB-O 3.07Å; S57-S59 PolarHBondContact OG-O 3.4Å; S59-N133 PolarHBondContact O-ND2 3.02Å; S59-N133 VanDerWaalsContact O-ND2 3.14Å; S59-P135 WeakPolarHBondContact OG-CD 3.36Å; S59-D136 WeakPolarHBondContact CB-OD1 3.31Å; S59-D136 WeakPolarHBondContact CB-OD2 3.45Å; S59-D136 PolarHBondContact N-OD2 3.07Å; S59-D136 PolarHBondContact OG-OD1 3.01Å
60	D	93.2	Very high	96.1	Very high	146 Å²	146	54.1 Å²	54.1	78%	0.781	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-60.2	149.5	174.1	-68.7	-49.1	0	0	0	111.5	T62 N133	D60-T62 PolarHBondContact O-N 3.4Å; D60-N133 PolarHBondContact O-ND2 3.31Å; D60-N133 PolarHBondContact O-OD1 3.21Å
61	V	94	Very high	96	Very high	45 Å²	45	49.5 Å²	49.5	27%	0.273	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-73.3	121.9	175.5	171.7	0	0	0	0	109.3	F55 L65 V107 Y108	F55-V61 HydrophobicContact CE2-CG2 4.13Å; F55-V61 HydrophobicContact CZ-CG2 4.29Å; V61-L65 HydrophobicContact CB-CD1 4.44Å; V61-L65 HydrophobicContact CG1-CB 4.44Å; V61-L65 HydrophobicContact CG1-CD1 3.87Å; V61-L65 HydrophobicContact CG2-CD1 4.04Å; V61-V107 HydrophobicContact CG1-CB 4.42Å; V61-V107 HydrophobicContact CG1-CG2 4.25Å; V61-Y108 HydrophobicContact CG1-CD1 4.32Å; V61-Y108 HydrophobicContact CG1-CE1 4.35Å
62	T	92.1	Very high	96	Very high	60 Å²	60	52.7 Å²	52.7	37%	0.368	28%	0.275	S	S	.	.			trans	-118.2	174.5	179.3	64.2	0	0	0	0	112	D60 K64 L65	D60-T62 PolarHBondContact O-N 3.4Å; T62-K64 PolarHBondContact O-N 2.91Å; T62-K64 PolarHBondContact OG1-N 3.24Å; T62-L65 VanDerWaalsContact O-CB 3.27Å; T62-L65 WeakPolarHBondContact O-CB 3.44Å; T62-L65 PolarHBondContact O-N 3.46Å; T62-L65 VanDerWaalsContact O-N 3.09Å
63	D	93.3	Very high	95.9	Very high	112 Å²	112	49.1 Å²	49.1	60%	0.599	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.7	172.6	64	-32.2	0	0	0	113.6	L65	D63-L65 VanDerWaalsContact C-N 3.28Å
64	K	94.4	Very high	95.7	Very high	137 Å²	137	54.1 Å²	54.1	60%	0.596	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-8.3	174.1	-58.7	179.6	-175.4	176	0	113.4	T62 T66	T62-K64 PolarHBondContact O-N 2.91Å; T62-K64 PolarHBondContact OG1-N 3.24Å; K64-T66 PolarHBondContact O-N 3.47Å
65	L	96.7	Very high	95.4	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	32%	0.321	C	S	.	.			trans	-65.6	130.3	177	-179	146.4	0	0	0	110.1	F55 V61 T62 D63 I67 Y85 V107 V131 K132 N133	F55-L65 HydrophobicContact CE2-CD1 3.77Å; F55-L65 HydrophobicContact CZ-CD1 3.63Å; V61-L65 HydrophobicContact CB-CD1 4.44Å; V61-L65 HydrophobicContact CG1-CB 4.44Å; V61-L65 HydrophobicContact CG1-CD1 3.87Å; V61-L65 HydrophobicContact CG2-CD1 4.04Å; T62-L65 VanDerWaalsContact O-CB 3.27Å; T62-L65 WeakPolarHBondContact O-CB 3.44Å; T62-L65 PolarHBondContact O-N 3.46Å; T62-L65 VanDerWaalsContact O-N 3.09Å; D63-L65 VanDerWaalsContact C-N 3.28Å; L65-I67 HydrophobicContact CD2-CD1 3.91Å; L65-I67 HydrophobicContact CD2-CG1 3.78Å; L65-Y85 HydrophobicContact CD2-CD1 4.09Å; L65-Y85 HydrophobicContact CD2-CE1 4.12Å; L65-V107 HydrophobicContact CD2-CB 4.44Å; L65-V107 HydrophobicContact CD2-CG1 4.13Å; L65-V131 HydrophobicContact CD1-CG1 4.47Å; L65-K132 VanDerWaalsContact CA-O 3.28Å; L65-K132 WeakPolarHBondContact CA-O 3.17Å; L65-N133 HydrophobicContact CD1-CB 4Å; L65-N133 HydrophobicContact CG-CB 4.44Å
66	T	97.8	Very high	95.2	Very high	22 Å²	22	59.7 Å²	59.7	14%	0.135	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.7	174.2	68.3	0	0	0	0	111.4	K64 Y85 Q86 V131 K132	K64-T66 PolarHBondContact O-N 3.47Å; T66-Y85 VanDerWaalsContact CA-O 3.25Å; T66-Y85 WeakPolarHBondContact CA-O 3.46Å; T66-Q86 HydrophobicContact CG2-CB 4.31Å; T66-Q86 HydrophobicContact CG2-CG 4.2Å; T66-V131 WeakPolarHBondContact O-CA 3.04Å; T66-K132 PolarHBondContact N-O 3Å; T66-K132 PolarHBondContact O-N 2.94Å
67	I	98.3	Very high	95	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.2	172.7	-56.4	163.7	0	0	0	108	L65 H84 Y85 W103 V107 A112 A130 V131	L65-I67 HydrophobicContact CD2-CD1 3.91Å; L65-I67 HydrophobicContact CD2-CG1 3.78Å; I67-H84 CarbonylContact O-C 3.48Å; I67-H84 WeakPolarHBondContact O-CA 3.33Å; I67-Y85 HydrophobicContact CD1-CD1 4.29Å; I67-Y85 HydrophobicContact CD1-CG 4.49Å; I67-Y85 PolarHBondContact N-O 2.95Å; I67-Y85 PolarHBondContact O-N 3.42Å; I67-W103 HydrophobicContact CD1-CH2 3.71Å; I67-W103 HydrophobicContact CD1-CZ3 4.14Å; I67-V107 HydrophobicContact CD1-CG1 3.69Å; I67-A112 HydrophobicContact CD1-CB 3.72Å; I67-A112 HydrophobicContact CG1-CB 4.33Å; I67-A112 HydrophobicContact CG2-CB 3.99Å; I67-A130 CarbonylContact C-O 3.53Å; I67-A130 WeakPolarHBondContact CA-O 3.3Å; I67-V131 HydrophobicContact CG1-CG1 4.21Å; I67-V131 HydrophobicContact CG1-CG2 4.23Å; I67-V131 HydrophobicContact CG2-CG2 4.41Å
68	D	98.1	Very high	95	Very high	40 Å²	40	64.1 Å²	64.1	21%	0.214	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127	176	-69	-60	0	0	0	109.4	H84 A130	D68-H84 IonicContact OD1-CE1 3.19Å; D68-H84 IonicContact OD1-CG 3.63Å; D68-H84 IonicContact OD1-ND1 2.7Å; D68-H84 PolarHBondContact OD1-ND1 3.28Å; D68-A130 HydrophobicContact CB-CB 4.36Å; D68-A130 PolarHBondContact N-O 3.41Å; D68-A130 PolarHBondContact O-N 2.92Å
69	W	98.5	Very high	95.1	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.7	166.5	-83	90.9	0	0	0	109.9	L51 C53 I82 F83 A112 I114 F127 S128 C129	L51-W69 HydrophobicContact CB-CH2 3.65Å; L51-W69 HydrophobicContact CB-CZ2 4.26Å; L51-W69 HydrophobicContact CB-CZ3 4.07Å; L51-W69 HydrophobicContact CD1-CH2 4.44Å; L51-W69 HydrophobicContact CD1-CZ3 4.01Å; C53-W69 HydrophobicContact CB-CH2 3.96Å; C53-W69 HydrophobicContact CB-CZ2 3.38Å; W69-I82 HydrophobicContact CB-CD1 4.25Å; W69-I82 HydrophobicContact CB-CG1 3.87Å; W69-I82 WeakPolarHBondContact O-CG1 3.35Å; W69-I82 PolarHBondContact O-N 3.49Å; W69-F83 HydrophobicContact CB-CB 4.11Å; W69-F83 AromaticContact CD1-CD1 3.96Å; W69-F83 PolarHBondContact N-O 3.4Å; W69-F83 PolarHBondContact O-N 2.86Å; W69-A112 PolarHBondContact NE1-O 2.72Å; W69-I114 HydrophobicContact CB-CD1 3.97Å; W69-I114 HydrophobicContact CD2-CD1 3.61Å; W69-I114 HydrophobicContact CD2-CG1 3.89Å; W69-I114 HydrophobicContact CE3-CD1 3.99Å; W69-I114 HydrophobicContact CE3-CG1 4.39Å; W69-I114 HydrophobicContact CG-CD1 3.63Å; W69-I114 HydrophobicContact CG-CG1 4.17Å; W69-I114 HydrophobicContact CG-CG2 4.28Å; W69-I114 HydrophobicContact CZ2-CG1 4.05Å; W69-F127 HydrophobicContact CE3-CB 4.09Å; W69-F127 HydrophobicContact CZ3-CB 3.82Å; W69-S128 WeakPolarHBondContact CA-O 3.29Å; W69-C129 HydrophobicContact CD2-CB 4.03Å; W69-C129 HydrophobicContact CE3-CB 4.16Å; W69-C129 HydrophobicContact CH2-CB 3.84Å; W69-C129 HydrophobicContact CZ2-CB 3.7Å; W69-C129 HydrophobicContact CZ3-CB 4.05Å
70	T	97.9	Very high	95.2	Very high	32 Å²	32	65.4 Å²	65.4	20%	0.196	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.3	175.2	67.9	0	0	0	0	112	T79 E80 F127 S128	T70-T79 HydrophobicContact CG2-CG2 4.05Å; T70-T79 VanDerWaalsContact OG1-CG2 3.27Å; T70-T79 WeakPolarHBondContact OG1-CG2 3.45Å; T70-E80 CarbonylContact C-O 3.59Å; T70-E80 WeakPolarHBondContact CA-O 3.33Å; T70-E80 WeakPolarHBondContact CB-O 3.46Å; T70-F127 CarbonylContact O-C 3.42Å; T70-F127 VanDerWaalsContact O-CA 3.26Å; T70-F127 WeakPolarHBondContact O-CA 3.27Å; T70-S128 PolarHBondContact N-O 3.25Å; T70-S128 PolarHBondContact O-N 3.37Å; T70-S128 PolarHBondContact OG1-OG 2.94Å
71	Y	97.9	Very high	95.4	Very high	5 Å²	5	62 Å²	62	2%	0.02	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.6	-179.7	167.2	-108.4	0	0	0	110.4	P73 T79 E80 F97 N124 T126 F127	Y71-P73 HydrophobicContact CE1-CB 3.86Å; Y71-P73 HydrophobicContact CE1-CG 4.24Å; Y71-T79 CarbonylContact O-C 3.55Å; Y71-T79 WeakPolarHBondContact O-CA 3.32Å; Y71-E80 PolarHBondContact N-O 3.44Å; Y71-E80 PolarHBondContact O-N 2.97Å; Y71-F97 HydrophobicContact CD1-CD2 4.24Å; Y71-F97 AromaticContact CD1-CE2 3.56Å; Y71-F97 HydrophobicContact CD1-CE2 3.56Å; Y71-F97 AromaticContact CD2-CE2 3.75Å; Y71-F97 HydrophobicContact CD2-CE2 3.75Å; Y71-F97 HydrophobicContact CD2-CZ 4.14Å; Y71-F97 AromaticContact CE1-CE2 3.75Å; Y71-F97 HydrophobicContact CE1-CE2 3.75Å; Y71-F97 AromaticContact CE2-CE2 3.93Å; Y71-F97 HydrophobicContact CE2-CE2 3.93Å; Y71-F97 HydrophobicContact CE2-CZ 4.08Å; Y71-F97 HydrophobicContact CG-CD2 4.28Å; Y71-F97 AromaticContact CG-CE2 3.52Å; Y71-F97 HydrophobicContact CG-CE2 3.52Å; Y71-F97 HydrophobicContact CG-CZ 4.36Å; Y71-F97 AromaticContact CZ-CE2 3.92Å; Y71-N124 PolarHBondContact OH-O 3.35Å; Y71-N124 VanDerWaalsContact OH-O 3.11Å; Y71-T126 CarbonylContact C-O 3.57Å; Y71-F127 HydrophobicContact CD2-CD1 4.18Å; Y71-F127 HydrophobicContact CD2-CD2 4.16Å; Y71-F127 AromaticContact CD2-CE1 3.71Å; Y71-F127 HydrophobicContact CD2-CE1 3.71Å; Y71-F127 AromaticContact CD2-CE2 3.65Å; Y71-F127 HydrophobicContact CD2-CE2 3.65Å; Y71-F127 HydrophobicContact CD2-CG 4.4Å; Y71-F127 AromaticContact CD2-CZ 3.42Å; Y71-F127 HydrophobicContact CD2-CZ 3.42Å; Y71-F127 VanDerWaalsContact CD2-CZ 3.42Å; Y71-F127 AromaticContact CE2-CE2 3.93Å; Y71-F127 HydrophobicContact CE2-CE2 3.93Å; Y71-F127 AromaticContact CE2-CZ 3.87Å; Y71-F127 HydrophobicContact CE2-CZ 3.87Å; Y71-F127 HydrophobicContact CG-CE1 4.24Å; Y71-F127 HydrophobicContact CG-CZ 4.33Å
72	R	97.5	Very high	95.6	Very high	67 Å²	67	60 Å²	60	25%	0.253	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117.8	172.3	173.8	170.5	30.5	63.5	7.8	109.1	S76 T126	R72-S76 WeakPolarHBondContact CG-O 3.38Å; R72-T126 PolarHBondContact N-O 3.33Å; R72-T126 PolarHBondContact NH1-OG1 2.81Å; R72-T126 PolarHBondContact O-N 2.85Å
73	P	96.3	Very high	95.9	Very high	23 Å²	23	57.3 Å²	57.3	15%	0.149	32%	0.319	C	S	.	.			trans	-70.5	152.8	177.5	30	-33.6	0	0	0	110.6	Y71 S75 S76	Y71-P73 HydrophobicContact CE1-CB 3.86Å; Y71-P73 HydrophobicContact CE1-CG 4.24Å; P73-S75 PolarHBondContact O-N 3.12Å; P73-S76 PolarHBondContact O-N 3.12Å
74	P	94.7	Very high	96.1	Very high	105 Å²	105	54.4 Å²	54.4	68%	0.682	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-28.6	-179.5	-24.6	32.4	0	0	0	113.8	N124	P74-N124 WeakPolarHBondContact CD-O 3.43Å; P74-N124 WeakPolarHBondContact CG-O 3.12Å
75	S	91.9	Very high	96.3	Very high	119 Å²	119	49 Å²	49	83%	0.832	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-6.3	-176.8	55.7	0	0	0	0	114.3	P73	P73-S75 PolarHBondContact O-N 3.12Å
76	S	91.8	Very high	96.4	Very high	53 Å²	53	53.5 Å²	53.5	37%	0.371	30%	0.299	S	S	.	.			trans	-140.8	148.8	-175.8	-172.5	0	0	0	0	112	R72 P73 R78	R72-S76 WeakPolarHBondContact CG-O 3.38Å; P73-S76 PolarHBondContact O-N 3.12Å; S76-R78 VanDerWaalsContact C-N 3.3Å; S76-R78 WeakPolarHBondContact OG-CB 3.16Å; S76-R78 PolarHBondContact OG-N 3.28Å; S76-R78 VanDerWaalsContact OG-N 3.1Å
77	S	91.5	Very high	96.2	Very high	112 Å²	112	55 Å²	55	78%	0.783	31%	0.311	S	S	*	.	S	Bend	trans	-81.6	-11.6	168.5	56.7	0	0	0	0	112.8
78	R	94.1	Very high	96.1	Very high	172 Å²	172	61.2 Å²	61.2	65%	0.649	34%	0.338	S	S	*	.			trans	-70.9	133.8	-178.8	-168.3	174.6	-172.1	-102.1	2	110.5	S76	S76-R78 VanDerWaalsContact C-N 3.3Å; S76-R78 WeakPolarHBondContact OG-CB 3.16Å; S76-R78 PolarHBondContact OG-N 3.28Å; S76-R78 VanDerWaalsContact OG-N 3.1Å
79	T	94.9	Very high	96.1	Very high	70 Å²	70	63.6 Å²	63.6	43%	0.429	35%	0.348	S	S	.	.			trans	-103.1	137.3	177.8	-60.6	0	0	0	0	109.9	T70 Y71	T70-T79 HydrophobicContact CG2-CG2 4.05Å; T70-T79 VanDerWaalsContact OG1-CG2 3.27Å; T70-T79 WeakPolarHBondContact OG1-CG2 3.45Å; Y71-T79 CarbonylContact O-C 3.55Å; Y71-T79 WeakPolarHBondContact O-CA 3.32Å
80	E	95.3	Very high	96.1	Very high	53 Å²	53	69.5 Å²	69.5	25%	0.248	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.3	179.1	-62.8	-178.6	178.7	0	0	109.6	T70 Y71 T96	T70-E80 CarbonylContact C-O 3.59Å; T70-E80 WeakPolarHBondContact CA-O 3.33Å; T70-E80 WeakPolarHBondContact CB-O 3.46Å; Y71-E80 PolarHBondContact N-O 3.44Å; Y71-E80 PolarHBondContact O-N 2.97Å; E80-T96 PolarHBondContact OE2-OG1 2.8Å
81	S	97	Very high	96	Very high	75 Å²	75	70.7 Å²	70.7	52%	0.524	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	128.9	169.5	-177.7	0	0	0	0	109.6
82	I	98	Very high	95.9	Very high	3 Å²	3	71.8 Å²	71.8	2%	0.015	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	-18.6	-176.3	62.3	167.2	0	0	0	112.8	W69 T92 F97 I101 I114 F127	W69-I82 HydrophobicContact CB-CD1 4.25Å; W69-I82 HydrophobicContact CB-CG1 3.87Å; W69-I82 WeakPolarHBondContact O-CG1 3.35Å; W69-I82 PolarHBondContact O-N 3.49Å; I82-T92 HydrophobicContact CB-CG2 4.36Å; I82-T92 WeakPolarHBondContact O-CB 3.43Å; I82-T92 WeakPolarHBondContact O-CG2 3.48Å; I82-T92 PolarHBondContact O-N 3.36Å; I82-F97 HydrophobicContact CG2-CB 4.34Å; I82-F97 HydrophobicContact CG2-CD2 3.8Å; I82-F97 HydrophobicContact CG2-CG 4.39Å; I82-I101 HydrophobicContact CB-CG1 4.36Å; I82-I101 HydrophobicContact CD1-CD1 4.14Å; I82-I114 HydrophobicContact CD1-CD1 3.92Å; I82-F127 HydrophobicContact CD1-CD1 3.6Å; I82-F127 HydrophobicContact CD1-CE1 3.61Å
83	F	98.4	Very high	95.6	Very high	2 Å²	2	73.8 Å²	73.8	1%	0.009	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	141	178.6	173.8	-84.2	0	0	0	110.9	W69 Q89 P91 I101 W103 I114	W69-F83 HydrophobicContact CB-CB 4.11Å; W69-F83 AromaticContact CD1-CD1 3.96Å; W69-F83 PolarHBondContact N-O 3.4Å; W69-F83 PolarHBondContact O-N 2.86Å; F83-Q89 HydrophobicContact CE2-CB 3.9Å; F83-Q89 HydrophobicContact CE2-CG 4.48Å; F83-Q89 HydrophobicContact CZ-CB 4.01Å; F83-Q89 HydrophobicContact CZ-CG 4.24Å; F83-P91 HydrophobicContact CD2-CB 4.11Å; F83-I101 HydrophobicContact CB-CG2 3.98Å; F83-I101 HydrophobicContact CD2-CG2 4.02Å; F83-I101 HydrophobicContact CG-CG2 4.34Å; F83-W103 AromaticContact CE1-CE3 3.63Å; F83-W103 HydrophobicContact CE1-CE3 3.63Å; F83-W103 AromaticContact CE1-CZ3 3.94Å; F83-W103 HydrophobicContact CE1-CZ3 3.94Å; F83-W103 HydrophobicContact CE2-CB 3.98Å; F83-W103 HydrophobicContact CE2-CE3 4.33Å; F83-W103 HydrophobicContact CZ-CB 4.02Å; F83-W103 AromaticContact CZ-CD2 4Å; F83-W103 HydrophobicContact CZ-CD2 4Å; F83-W103 AromaticContact CZ-CE3 3.37Å; F83-W103 HydrophobicContact CZ-CE3 3.37Å; F83-W103 HydrophobicContact CZ-CG 4.3Å; F83-W103 HydrophobicContact CZ-CZ3 4.12Å; F83-I114 HydrophobicContact CD1-CG2 4Å; F83-I114 HydrophobicContact CD2-CG2 4.32Å; F83-I114 HydrophobicContact CE1-CG2 4.21Å; F83-I114 HydrophobicContact CG-CG2 4.07Å; F83-I114 HydrophobicContact CZ-CG2 4.49Å
84	H	98.2	Very high	95.4	Very high	52 Å²	52	75.5 Å²	75.5	24%	0.241	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.2	172.8	179.5	72.4	0	0	0	110.1	I67 D68 Y90	I67-H84 CarbonylContact O-C 3.48Å; I67-H84 WeakPolarHBondContact O-CA 3.33Å; D68-H84 IonicContact OD1-CE1 3.19Å; D68-H84 IonicContact OD1-CG 3.63Å; D68-H84 IonicContact OD1-ND1 2.7Å; D68-H84 PolarHBondContact OD1-ND1 3.28Å; H84-Y90 AromaticContact CD2-CD2 3.92Å; H84-Y90 PolarHBondContact N-O 3.01Å; H84-Y90 WeakPolarHBondContact O-CA 3.37Å; H84-Y90 WeakPolarHBondContact O-CB 3.09Å; H84-Y90 PolarHBondContact O-N 3.04Å
85	Y	98.4	Very high	95.3	Very high	22 Å²	22	73.2 Å²	73.2	9%	0.086	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.8	170.7	178.1	-86.8	0	0	0	110	L65 T66 I67 F88 Q89 V107	L65-Y85 HydrophobicContact CD2-CD1 4.09Å; L65-Y85 HydrophobicContact CD2-CE1 4.12Å; T66-Y85 VanDerWaalsContact CA-O 3.25Å; T66-Y85 WeakPolarHBondContact CA-O 3.46Å; I67-Y85 HydrophobicContact CD1-CD1 4.29Å; I67-Y85 HydrophobicContact CD1-CG 4.49Å; I67-Y85 PolarHBondContact N-O 2.95Å; I67-Y85 PolarHBondContact O-N 3.42Å; Y85-F88 WeakPolarHBondContact CA-O 3.1Å; Y85-F88 WeakPolarHBondContact CD2-O 3.18Å; Y85-Q89 HydrophobicContact CD2-CG 4.14Å; Y85-Q89 HydrophobicContact CE2-CG 4.45Å; Y85-V107 HydrophobicContact CD1-CG1 4.19Å; Y85-V107 HydrophobicContact CE1-CG1 3.7Å; Y85-V107 HydrophobicContact CE1-CG2 4.4Å; Y85-V107 HydrophobicContact CE2-CG1 4.39Å
86	Q	97.1	Very high	95.3	Very high	96 Å²	96	70.5 Å²	70.5	45%	0.449	40%	0.397	S	S	.	.	S	Bend	trans	-153.6	95.4	166.8	-177.1	179.8	25.2	0	0	108.3	T66 F88	T66-Q86 HydrophobicContact CG2-CB 4.31Å; T66-Q86 HydrophobicContact CG2-CG 4.2Å; Q86-F88 PolarHBondContact N-O 3.28Å; Q86-F88 PolarHBondContact O-N 2.89Å
87	S	95	Very high	95.5	Very high	55 Å²	55	68 Å²	68	39%	0.385	38%	0.38	S	S	.	.	S	Bend	trans	60.2	-28.5	-168.4	-59.4	0	0	0	0	115.6
88	F	96.5	Very high	95.7	Very high	130 Å²	130	70 Å²	70	57%	0.57	37%	0.37	S	S	*	.	S	Bend	trans	-129.1	159.6	175.6	-61.6	-81.2	0	0	0	110.3	Y85 Q86 Y90	Y85-F88 WeakPolarHBondContact CA-O 3.1Å; Y85-F88 WeakPolarHBondContact CD2-O 3.18Å; Q86-F88 PolarHBondContact N-O 3.28Å; Q86-F88 PolarHBondContact O-N 2.89Å; F88-Y90 HydrophobicContact CB-CE2 3.84Å; F88-Y90 WeakPolarHBondContact O-CD2 3.42Å; F88-Y90 WeakPolarHBondContact O-CE2 3.33Å
89	Q	97.4	Very high	95.7	Very high	90 Å²	90	67.2 Å²	67.2	42%	0.421	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129	179	-52.7	78.8	10.2	0	0	110.5	F83 Y85 P91 W103	F83-Q89 HydrophobicContact CE2-CB 3.9Å; F83-Q89 HydrophobicContact CE2-CG 4.48Å; F83-Q89 HydrophobicContact CZ-CB 4.01Å; F83-Q89 HydrophobicContact CZ-CG 4.24Å; Y85-Q89 HydrophobicContact CD2-CG 4.14Å; Y85-Q89 HydrophobicContact CE2-CG 4.45Å; Q89-P91 WeakPolarHBondContact O-CD 3.29Å; Q89-W103 HydrophobicContact CB-CB 4.28Å; Q89-W103 HydrophobicContact CG-CB 3.64Å; Q89-W103 HydrophobicContact CG-CD2 4.27Å; Q89-W103 HydrophobicContact CG-CG 3.62Å
90	Y	97.4	Very high	95.8	Very high	123 Å²	123	66 Å²	66	48%	0.482	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	78.9	177.9	-56.9	-81.4	0	0	0	109.5	H84 F88	H84-Y90 AromaticContact CD2-CD2 3.92Å; H84-Y90 PolarHBondContact N-O 3.01Å; H84-Y90 WeakPolarHBondContact O-CA 3.37Å; H84-Y90 WeakPolarHBondContact O-CB 3.09Å; H84-Y90 PolarHBondContact O-N 3.04Å; F88-Y90 HydrophobicContact CB-CE2 3.84Å; F88-Y90 WeakPolarHBondContact O-CD2 3.42Å; F88-Y90 WeakPolarHBondContact O-CE2 3.33Å
91	P	97.1	Very high	95.9	Very high	57 Å²	57	64 Å²	64	37%	0.37	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	151.2	170.6	28.9	-33.5	0	0	0	110.7	F83 Q89 T93 I101	F83-P91 HydrophobicContact CD2-CB 4.11Å; Q89-P91 WeakPolarHBondContact O-CD 3.29Å; P91-T93 PolarHBondContact O-N 3.49Å; P91-I101 HydrophobicContact CB-CB 4.29Å
92	T	94.8	Very high	96	Very high	28 Å²	28	62.4 Å²	62.4	17%	0.172	34%	0.335	C	S	.	.			trans	-62.2	135.6	177.6	-171.7	0	0	0	0	112.1	I82 A94 F97	I82-T92 HydrophobicContact CB-CG2 4.36Å; I82-T92 WeakPolarHBondContact O-CB 3.43Å; I82-T92 WeakPolarHBondContact O-CG2 3.48Å; I82-T92 PolarHBondContact O-N 3.36Å; T92-A94 PolarHBondContact OG1-N 3Å; T92-A94 PolarHBondContact OG1-O 3.14Å; T92-F97 HydrophobicContact CG2-CB 4.19Å
93	T	92.4	Very high	96	Very high	109 Å²	109	64.8 Å²	64.8	67%	0.669	34%	0.344	S	S	*	.	S	Bend	trans	-99.5	4.5	173.7	55.3	0	0	0	0	112.3	P91 R98	P91-T93 PolarHBondContact O-N 3.49Å; T93-R98 VanDerWaalsContact O-CD 3.26Å; T93-R98 WeakPolarHBondContact O-CD 2.98Å; T93-R98 WeakPolarHBondContact O-CG 3.35Å
94	A	91.5	Very high	96	Very high	59 Å²	59	67.6 Å²	67.6	49%	0.488	36%	0.361	S	S	.	.	S	Bend	trans	-143.7	168	-177.6	0	0	0	0	0	112.4	T92	T92-A94 PolarHBondContact OG1-N 3Å; T92-A94 PolarHBondContact OG1-O 3.14Å
95	G	91.9	Very high	95.9	Very high	58 Å²	58	65.8 Å²	65.8	60%	0.598	36%	0.356	S	S	*	.	S	Bend	trans	75.3	-163.8	176.9	0	0	0	0	0	114.1	F97 R98	G95-F97 PolarHBondContact O-N 3.45Å; G95-R98 WeakPolarHBondContact O-CB 3.32Å; G95-R98 PolarHBondContact O-N 3.47Å
96	T	92.1	Very high	95.9	Very high	62 Å²	62	67.6 Å²	67.6	38%	0.38	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-36.3	-170.1	-51.4	0	0	0	0	113.2	E80 R100	E80-T96 PolarHBondContact OE2-OG1 2.8Å; T96-R100 PolarHBondContact O-NH2 3.45Å
97	F	96.2	Very high	95.9	Very high	1 Å²	1	63.2 Å²	63.2	0%	0.004	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	16	-173.9	-67	-80.8	0	0	0	114.5	Y71 I82 T92 G95 D99 R100 I101 I116 D123 F127	Y71-F97 HydrophobicContact CD1-CD2 4.24Å; Y71-F97 AromaticContact CD1-CE2 3.56Å; Y71-F97 HydrophobicContact CD1-CE2 3.56Å; Y71-F97 AromaticContact CD2-CE2 3.75Å; Y71-F97 HydrophobicContact CD2-CE2 3.75Å; Y71-F97 HydrophobicContact CD2-CZ 4.14Å; Y71-F97 AromaticContact CE1-CE2 3.75Å; Y71-F97 HydrophobicContact CE1-CE2 3.75Å; Y71-F97 AromaticContact CE2-CE2 3.93Å; Y71-F97 HydrophobicContact CE2-CE2 3.93Å; Y71-F97 HydrophobicContact CE2-CZ 4.08Å; Y71-F97 HydrophobicContact CG-CD2 4.28Å; Y71-F97 AromaticContact CG-CE2 3.52Å; Y71-F97 HydrophobicContact CG-CE2 3.52Å; Y71-F97 HydrophobicContact CG-CZ 4.36Å; Y71-F97 AromaticContact CZ-CE2 3.92Å; I82-F97 HydrophobicContact CG2-CB 4.34Å; I82-F97 HydrophobicContact CG2-CD2 3.8Å; I82-F97 HydrophobicContact CG2-CG 4.39Å; T92-F97 HydrophobicContact CG2-CB 4.19Å; G95-F97 PolarHBondContact O-N 3.45Å; F97-D99 PolarHBondContact O-N 2.89Å; F97-R100 PolarHBondContact O-N 3.42Å; F97-I101 HydrophobicContact CB-CD1 3.82Å; F97-I101 HydrophobicContact CB-CG1 3.76Å; F97-I101 HydrophobicContact CD1-CD1 3.91Å; F97-I101 HydrophobicContact CG-CD1 4.04Å; F97-I101 HydrophobicContact CG-CG1 4.5Å; F97-I116 HydrophobicContact CD1-CG2 4.08Å; F97-I116 HydrophobicContact CE1-CD1 4.08Å; F97-I116 HydrophobicContact CE1-CG2 4.01Å; F97-D123 HydrophobicContact CE1-CB 3.86Å; F97-D123 HydrophobicContact CZ-CB 3.83Å; F97-F127 HydrophobicContact CE1-CE1 4.42Å; F97-F127 HydrophobicContact CE1-CZ 4.11Å; F97-F127 HydrophobicContact CE2-CE1 4.19Å; F97-F127 HydrophobicContact CE2-CZ 4.09Å; F97-F127 AromaticContact CZ-CE1 3.99Å; F97-F127 HydrophobicContact CZ-CE1 3.99Å; F97-F127 AromaticContact CZ-CZ 3.55Å; F97-F127 HydrophobicContact CZ-CZ 3.55Å
98	R	95.4	Very high	95.9	Very high	154 Å²	154	69.5 Å²	69.5	58%	0.581	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	128.6	176.2	170.8	178	169.5	-179.5	2	111	T93 G95 R100	T93-R98 VanDerWaalsContact O-CD 3.26Å; T93-R98 WeakPolarHBondContact O-CD 2.98Å; T93-R98 WeakPolarHBondContact O-CG 3.35Å; G95-R98 WeakPolarHBondContact O-CB 3.32Å; G95-R98 PolarHBondContact O-N 3.47Å; R98-R100 WeakPolarHBondContact O-CG 3.18Å; R98-R100 PolarHBondContact O-N 3.37Å
99	D	94.8	Very high	95.9	Very high	113 Å²	113	71.5 Å²	71.5	60%	0.604	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	11.4	175.8	-52.9	-39	0	0	0	114.9	F97	F97-D99 PolarHBondContact O-N 2.89Å
100	R	97.3	Very high	95.9	Very high	44 Å²	44	67.8 Å²	67.8	17%	0.166	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-9.8	-179	-63.7	-169.1	-58.7	135.7	-1.8	114.5	T96 F97 R98 I116 S117 N118 D123	T96-R100 PolarHBondContact O-NH2 3.45Å; F97-R100 PolarHBondContact O-N 3.42Å; R98-R100 WeakPolarHBondContact O-CG 3.18Å; R98-R100 PolarHBondContact O-N 3.37Å; R100-I116 WeakPolarHBondContact O-CA 3.04Å; R100-S117 VanDerWaalsContact CA-OG 3.29Å; R100-S117 WeakPolarHBondContact CA-OG 3.46Å; R100-S117 WeakPolarHBondContact CD-O 3.44Å; R100-S117 PolarHBondContact O-N 2.73Å; R100-S117 PolarHBondContact O-OG 3.25Å; R100-N118 PolarHBondContact NH1-O 3.02Å; R100-N118 VanDerWaalsContact NH1-O 3.15Å; R100-D123 IonicContact CZ-OD1 3.64Å; R100-D123 IonicContact CZ-OD2 3.63Å; R100-D123 IonicContact NH1-OD1 3.67Å; R100-D123 IonicContact NH1-OD2 3.61Å; R100-D123 PolarHBondContact NH1-OD2 2.74Å; R100-D123 IonicContact NH2-OD1 2.7Å; R100-D123 PolarHBondContact NH2-OD1 3.04Å; R100-D123 IonicContact NH2-OD2 2.74Å; R100-D123 PolarHBondContact NH2-OD2 2.77Å
101	I	98.1	Very high	95.9	Very high	11 Å²	11	63.5 Å²	63.5	6%	0.056	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.9	176.5	-54.6	-56.6	0	0	0	110	I82 F83 P91 F97 I114 S115 I116	I82-I101 HydrophobicContact CB-CG1 4.36Å; I82-I101 HydrophobicContact CD1-CD1 4.14Å; F83-I101 HydrophobicContact CB-CG2 3.98Å; F83-I101 HydrophobicContact CD2-CG2 4.02Å; F83-I101 HydrophobicContact CG-CG2 4.34Å; P91-I101 HydrophobicContact CB-CB 4.29Å; F97-I101 HydrophobicContact CB-CD1 3.82Å; F97-I101 HydrophobicContact CB-CG1 3.76Å; F97-I101 HydrophobicContact CD1-CD1 3.91Å; F97-I101 HydrophobicContact CG-CD1 4.04Å; F97-I101 HydrophobicContact CG-CG1 4.5Å; I101-I114 HydrophobicContact CG2-CB 4.18Å; I101-I114 HydrophobicContact CG2-CD1 4.01Å; I101-I114 HydrophobicContact CG2-CG2 4.37Å; I101-S115 WeakPolarHBondContact CA-O 3.37Å; I101-I116 HydrophobicContact CD1-CG1 3.81Å
102	S	97.6	Very high	96	Very high	42 Å²	42	60.8 Å²	60.8	29%	0.294	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.3	172.5	52.3	0	0	0	0	111.5	I114 S115	S102-I114 CarbonylContact O-C 3.56Å; S102-I114 WeakPolarHBondContact O-CA 3.38Å; S102-S115 PolarHBondContact N-O 3.23Å; S102-S115 PolarHBondContact O-N 3.5Å; S102-S115 PolarHBondContact OG-O 3.01Å; S102-S115 PolarHBondContact OG-OG 3.07Å
103	W	98.1	Very high	96.2	Very high	52 Å²	52	59.5 Å²	59.5	20%	0.197	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	130.9	175.4	175	-104.5	0	0	0	110.8	I67 F83 Q89 G105 V107 D111 I114	I67-W103 HydrophobicContact CD1-CH2 3.71Å; I67-W103 HydrophobicContact CD1-CZ3 4.14Å; F83-W103 AromaticContact CE1-CE3 3.63Å; F83-W103 HydrophobicContact CE1-CE3 3.63Å; F83-W103 AromaticContact CE1-CZ3 3.94Å; F83-W103 HydrophobicContact CE1-CZ3 3.94Å; F83-W103 HydrophobicContact CE2-CB 3.98Å; F83-W103 HydrophobicContact CE2-CE3 4.33Å; F83-W103 HydrophobicContact CZ-CB 4.02Å; F83-W103 AromaticContact CZ-CD2 4Å; F83-W103 HydrophobicContact CZ-CD2 4Å; F83-W103 AromaticContact CZ-CE3 3.37Å; F83-W103 HydrophobicContact CZ-CE3 3.37Å; F83-W103 HydrophobicContact CZ-CG 4.3Å; F83-W103 HydrophobicContact CZ-CZ3 4.12Å; Q89-W103 HydrophobicContact CB-CB 4.28Å; Q89-W103 HydrophobicContact CG-CB 3.64Å; Q89-W103 HydrophobicContact CG-CD2 4.27Å; Q89-W103 HydrophobicContact CG-CG 3.62Å; W103-G105 VanDerWaalsContact CE2-C 3.47Å; W103-G105 VanDerWaalsContact CZ2-CA 3.48Å; W103-G105 PolarHBondContact NE1-O 3.42Å; W103-V107 HydrophobicContact CH2-CG1 3.93Å; W103-V107 HydrophobicContact CZ2-CG1 3.88Å; W103-D111 WeakPolarHBondContact CH2-O 3.47Å; W103-I114 HydrophobicContact CE3-CG2 4.25Å
104	V	98.2	Very high	96.5	Very high	61 Å²	61	54.3 Å²	54.3	37%	0.37	29%	0.287	S	S	.	.			trans	-132.5	11.1	176.7	-61.4	0	0	0	0	112.3	K50 S113	K50-V104 HydrophobicContact CD-CG2 4.25Å; K50-V104 HydrophobicContact CG-CG2 4.16Å; V104-S113 CarbonylContact C-O 3.59Å; V104-S113 WeakPolarHBondContact CG2-O 3.34Å; V104-S113 PolarHBondContact N-O 2.9Å; V104-S113 VanDerWaalsContact N-O 3.11Å
105	G	97.1	Very high	96.8	Very high	14 Å²	14	51.7 Å²	51.7	14%	0.144	27%	0.265	C	S	.	.			trans	-91.1	179.2	-179	0	0	0	0	0	113.8	W103 D111 S113	W103-G105 VanDerWaalsContact CE2-C 3.47Å; W103-G105 VanDerWaalsContact CZ2-CA 3.48Å; W103-G105 PolarHBondContact NE1-O 3.42Å; G105-D111 CarbonylContact C-O 3.47Å; G105-D111 WeakPolarHBondContact CA-O 3.48Å; G105-S113 PolarHBondContact N-O 3.03Å
106	N	97.2	Very high	97.1	Very high	60 Å²	60	48.9 Å²	48.9	32%	0.321	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-148.2	104.1	173.5	-177.6	-24.4	0	0	0	108.4	Y108 K109 G110 D111	N106-Y108 VanDerWaalsContact C-N 3.26Å; N106-Y108 PolarHBondContact O-N 3.02Å; N106-Y108 PolarHBondContact OD1-N 3.12Å; N106-Y108 VanDerWaalsContact OD1-N 3.14Å; N106-K109 HydrophobicContact CB-CB 4.27Å; N106-K109 HydrophobicContact CB-CG 4.43Å; N106-K109 CarbonylContact O-C 3.55Å; N106-K109 WeakPolarHBondContact O-CA 3.41Å; N106-K109 PolarHBondContact O-N 3.05Å; N106-K109 PolarHBondContact OD1-N 3.32Å; N106-G110 PolarHBondContact O-N 3.22Å; N106-D111 CarbonylContact C-O 3.51Å; N106-D111 PolarHBondContact N-O 3.15Å; N106-D111 PolarHBondContact O-N 2.7Å
107	V	97.1	Very high	97.4	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.03	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-61.3	-33.8	-174.5	-60.8	0	0	0	0	112.9	F55 V61 L65 I67 Y85 W103 K109 G110	F55-V107 WeakPolarHBondContact CZ-O 3.36Å; V61-V107 HydrophobicContact CG1-CB 4.42Å; V61-V107 HydrophobicContact CG1-CG2 4.25Å; L65-V107 HydrophobicContact CD2-CB 4.44Å; L65-V107 HydrophobicContact CD2-CG1 4.13Å; I67-V107 HydrophobicContact CD1-CG1 3.69Å; Y85-V107 HydrophobicContact CD1-CG1 4.19Å; Y85-V107 HydrophobicContact CE1-CG1 3.7Å; Y85-V107 HydrophobicContact CE1-CG2 4.4Å; Y85-V107 HydrophobicContact CE2-CG1 4.39Å; W103-V107 HydrophobicContact CH2-CG1 3.93Å; W103-V107 HydrophobicContact CZ2-CG1 3.88Å; V107-K109 PolarHBondContact O-N 3.24Å; V107-G110 PolarHBondContact O-N 3.36Å
108	Y	95.4	Very high	97.4	Very high	186 Å²	186	52.5 Å²	52.5	73%	0.729	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-71.3	-12.4	177.7	-56.5	-70.5	0	0	0	113.2	V61 N106	V61-Y108 HydrophobicContact CG1-CD1 4.32Å; V61-Y108 HydrophobicContact CG1-CE1 4.35Å; N106-Y108 VanDerWaalsContact C-N 3.26Å; N106-Y108 PolarHBondContact O-N 3.02Å; N106-Y108 PolarHBondContact OD1-N 3.12Å; N106-Y108 VanDerWaalsContact OD1-N 3.14Å
109	K	96.8	Very high	97.5	Very high	172 Å²	172	45.1 Å²	45.1	75%	0.748	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-107.1	10.5	172.1	-63	-172.1	177.9	-174.9	0	112.5	N106 V107 D111	N106-K109 HydrophobicContact CB-CB 4.27Å; N106-K109 HydrophobicContact CB-CG 4.43Å; N106-K109 CarbonylContact O-C 3.55Å; N106-K109 WeakPolarHBondContact O-CA 3.41Å; N106-K109 PolarHBondContact O-N 3.05Å; N106-K109 PolarHBondContact OD1-N 3.32Å; V107-K109 PolarHBondContact O-N 3.24Å; K109-D111 VanDerWaalsContact C-N 3.29Å; K109-D111 PolarHBondContact O-N 2.9Å
110	G	97	Very high	97.6	Very high	12 Å²	12	42.2 Å²	42.2	12%	0.124	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	27.2	-176	0	0	0	0	0	113.3	T54 F55 N106 V107	T54-G110 CarbonylContact C-O 3.57Å; T54-G110 WeakPolarHBondContact CA-O 3.32Å; T54-G110 WeakPolarHBondContact CB-O 3.26Å; F55-G110 PolarHBondContact N-O 3.17Å; F55-G110 WeakPolarHBondContact O-CA 3.21Å; N106-G110 PolarHBondContact O-N 3.22Å; V107-G110 PolarHBondContact O-N 3.36Å
111	D	98.3	Very high	97.6	Very high	34 Å²	34	44 Å²	44	18%	0.182	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-109.2	117.7	179.4	-172.3	-11.7	0	0	0	110.6	K50 W103 G105 N106 K109 S113	K50-D111 IonicContact NZ-OD2 2.73Å; W103-D111 WeakPolarHBondContact CH2-O 3.47Å; G105-D111 CarbonylContact C-O 3.47Å; G105-D111 WeakPolarHBondContact CA-O 3.48Å; N106-D111 CarbonylContact C-O 3.51Å; N106-D111 PolarHBondContact N-O 3.15Å; N106-D111 PolarHBondContact O-N 2.7Å; K109-D111 VanDerWaalsContact C-N 3.29Å; K109-D111 PolarHBondContact O-N 2.9Å; D111-S113 WeakPolarHBondContact OD1-CB 3.45Å; D111-S113 PolarHBondContact OD1-N 3.02Å; D111-S113 PolarHBondContact OD1-OG 2.96Å
112	A	98.3	Very high	97.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.			trans	-110	18.2	-178.2	0	0	0	0	0	112.9	C53 F55 I67 W69 V131	C53-A112 HydrophobicContact CB-CB 4.1Å; C53-A112 CarbonylContact O-C 3.59Å; C53-A112 WeakPolarHBondContact O-CA 3.5Å; C53-A112 PolarHBondContact O-N 3.11Å; F55-A112 HydrophobicContact CD1-CB 4.12Å; F55-A112 HydrophobicContact CE1-CB 4.39Å; I67-A112 HydrophobicContact CD1-CB 3.72Å; I67-A112 HydrophobicContact CG1-CB 4.33Å; I67-A112 HydrophobicContact CG2-CB 3.99Å; W69-A112 PolarHBondContact NE1-O 2.72Å; A112-V131 HydrophobicContact CB-CG2 4.17Å
113	S	98.8	Very high	97.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.			trans	-71.5	144.5	-171.5	-56	0	0	0	0	114.1	K50 L51 K52 C53 V104 G105 D111	K50-S113 WeakPolarHBondContact CE-OG 3.46Å; L51-S113 WeakPolarHBondContact O-CA 3.43Å; L51-S113 WeakPolarHBondContact O-CB 3.49Å; K52-S113 WeakPolarHBondContact CA-OG 3.44Å; C53-S113 PolarHBondContact N-OG 2.86Å; C53-S113 VanDerWaalsContact N-OG 3.13Å; C53-S113 PolarHBondContact O-N 3.43Å; C53-S113 PolarHBondContact O-OG 3.29Å; V104-S113 CarbonylContact C-O 3.59Å; V104-S113 WeakPolarHBondContact CG2-O 3.34Å; V104-S113 PolarHBondContact N-O 2.9Å; V104-S113 VanDerWaalsContact N-O 3.11Å; G105-S113 PolarHBondContact N-O 3.03Å; D111-S113 WeakPolarHBondContact OD1-CB 3.45Å; D111-S113 PolarHBondContact OD1-N 3.02Å; D111-S113 PolarHBondContact OD1-OG 2.96Å
114	I	98.7	Very high	97.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	165.9	170.4	61.6	170.2	0	0	0	110.6	L51 W69 I82 F83 I101 S102 W103	L51-I114 HydrophobicContact CB-CG1 4.14Å; L51-I114 HydrophobicContact CD1-CD1 4.35Å; L51-I114 HydrophobicContact CD1-CG1 4.4Å; L51-I114 PolarHBondContact N-O 3.14Å; L51-I114 PolarHBondContact O-N 3.29Å; W69-I114 HydrophobicContact CB-CD1 3.97Å; W69-I114 HydrophobicContact CD2-CD1 3.61Å; W69-I114 HydrophobicContact CD2-CG1 3.89Å; W69-I114 HydrophobicContact CE3-CD1 3.99Å; W69-I114 HydrophobicContact CE3-CG1 4.39Å; W69-I114 HydrophobicContact CG-CD1 3.63Å; W69-I114 HydrophobicContact CG-CG1 4.17Å; W69-I114 HydrophobicContact CG-CG2 4.28Å; W69-I114 HydrophobicContact CZ2-CG1 4.05Å; I82-I114 HydrophobicContact CD1-CD1 3.92Å; F83-I114 HydrophobicContact CD1-CG2 4Å; F83-I114 HydrophobicContact CD2-CG2 4.32Å; F83-I114 HydrophobicContact CE1-CG2 4.21Å; F83-I114 HydrophobicContact CG-CG2 4.07Å; F83-I114 HydrophobicContact CZ-CG2 4.49Å; I101-I114 HydrophobicContact CG2-CB 4.18Å; I101-I114 HydrophobicContact CG2-CD1 4.01Å; I101-I114 HydrophobicContact CG2-CG2 4.37Å; S102-I114 CarbonylContact O-C 3.56Å; S102-I114 WeakPolarHBondContact O-CA 3.38Å; W103-I114 HydrophobicContact CE3-CG2 4.25Å
115	S	98.3	Very high	97.3	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.028	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.1	170	81.6	0	0	0	0	112	I49 I101 S102	I49-S115 CarbonylContact O-C 3.55Å; I49-S115 WeakPolarHBondContact O-CA 3.36Å; I49-S115 WeakPolarHBondContact O-CB 3.18Å; I101-S115 WeakPolarHBondContact CA-O 3.37Å; S102-S115 PolarHBondContact N-O 3.23Å; S102-S115 PolarHBondContact O-N 3.5Å; S102-S115 PolarHBondContact OG-O 3.01Å; S102-S115 PolarHBondContact OG-OG 3.07Å
116	I	98.5	Very high	97.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.5	177.6	-55.6	172.4	0	0	0	107.4	K48 I49 L51 F97 R100 I101 P119 F127 L146	K48-I116 WeakPolarHBondContact CA-O 3.22Å; I49-I116 PolarHBondContact N-O 2.95Å; I49-I116 PolarHBondContact O-N 3.02Å; L51-I116 HydrophobicContact CD1-CD1 3.82Å; L51-I116 HydrophobicContact CD1-CG1 4.44Å; L51-I116 HydrophobicContact CG-CD1 4.23Å; F97-I116 HydrophobicContact CD1-CG2 4.08Å; F97-I116 HydrophobicContact CE1-CD1 4.08Å; F97-I116 HydrophobicContact CE1-CG2 4.01Å; R100-I116 WeakPolarHBondContact O-CA 3.04Å; I101-I116 HydrophobicContact CD1-CG1 3.81Å; I116-P119 HydrophobicContact CG2-CB 4.31Å; I116-F127 HydrophobicContact CD1-CE1 3.79Å; I116-F127 HydrophobicContact CD1-CE2 4.46Å; I116-F127 HydrophobicContact CD1-CZ 3.65Å; I116-L146 HydrophobicContact CD1-CD2 3.89Å
117	S	97.9	Very high	97.4	Very high	37 Å²	37	45 Å²	45	26%	0.259	22%	0.221	S	C	.	.	S	Bend	trans	-88.8	143.9	173.9	60.6	0	0	0	0	111.8	R100	R100-S117 VanDerWaalsContact CA-OG 3.29Å; R100-S117 WeakPolarHBondContact CA-OG 3.46Å; R100-S117 WeakPolarHBondContact CD-O 3.44Å; R100-S117 PolarHBondContact O-N 2.73Å; R100-S117 PolarHBondContact O-OG 3.25Å
118	N	96.9	Very high	97.5	Very high	101 Å²	101	45.7 Å²	45.7	54%	0.54	23%	0.226	S	C	.	.	S	Bend	trans	46.5	59.7	176.5	-166.8	16.9	0	0	0	112.6	G46 R100	G46-N118 WeakPolarHBondContact CA-OD1 3.5Å; R100-N118 PolarHBondContact NH1-O 3.02Å; R100-N118 VanDerWaalsContact NH1-O 3.15Å
119	P	97.4	Very high	97.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.			trans	-70	153.4	178.6	32.8	-37.6	0	0	0	110.9	Y44 V45 G46 E47 I49 I116 D123 V148	Y44-P119 WeakPolarHBondContact O-CG 3.1Å; V45-P119 WeakPolarHBondContact CA-O 3.39Å; G46-P119 PolarHBondContact N-O 3.24Å; E47-P119 WeakPolarHBondContact O-CD 3.37Å; E47-P119 WeakPolarHBondContact O-CG 3.34Å; I49-P119 HydrophobicContact CD1-CB 3.89Å; I49-P119 HydrophobicContact CD1-CG 3.52Å; I49-P119 HydrophobicContact CG1-CG 4.03Å; I116-P119 HydrophobicContact CG2-CB 4.31Å; P119-D123 WeakPolarHBondContact CA-OD2 3.48Å; P119-V148 HydrophobicContact CB-CG1 4.38Å; P119-V148 HydrophobicContact CB-CG2 4.12Å
120	T	97	Very high	97.6	Very high	51 Å²	51	29.3 Å²	29.3	31%	0.313	16%	0.161	S	C	.	.			trans	-129.1	166.9	-179.9	69.9	0	0	0	0	110.2	K122 D123	T120-K122 PolarHBondContact O-N 3.4Å; T120-K122 VanDerWaalsContact O-N 3.11Å; T120-K122 PolarHBondContact OG1-N 2.94Å; T120-D123 PolarHBondContact N-OD2 3.47Å; T120-D123 WeakPolarHBondContact O-CB 3.33Å; T120-D123 PolarHBondContact O-N 2.72Å; T120-D123 PolarHBondContact OG1-OD2 2.85Å; T120-D123 VanDerWaalsContact OG1-OD2 3.04Å
121	L	96.3	Very high	97.6	Very high	82 Å²	82	28.8 Å²	28.8	43%	0.429	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-59.8	-23.8	177.3	-56.7	178.9	0	0	0	113.3	V45 D123 N124 V148	V45-L121 HydrophobicContact CG2-CD2 3.8Å; V45-L121 HydrophobicContact CG2-CG 4.07Å; L121-D123 PolarHBondContact O-N 2.73Å; L121-N124 VanDerWaalsContact O-CG 3.24Å; L121-N124 PolarHBondContact O-ND2 3.05Å; L121-V148 HydrophobicContact CD2-CG1 4.44Å; L121-V148 WeakPolarHBondContact CD2-O 3.49Å
122	K	95.3	Very high	97.5	Very high	180 Å²	180	31.6 Å²	31.6	78%	0.783	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-76.1	-13.9	178.4	-62.7	-178.3	-178.5	178.3	0	113.2	T120 N124	T120-K122 PolarHBondContact O-N 3.4Å; T120-K122 VanDerWaalsContact O-N 3.11Å; T120-K122 PolarHBondContact OG1-N 2.94Å; K122-N124 VanDerWaalsContact C-N 3.27Å
123	D	96.7	Very high	97.4	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.011	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-86	-1.3	179.1	-59	-43.1	0	0	0	112.5	F97 R100 P119 T120 L121 G125	F97-D123 HydrophobicContact CE1-CB 3.86Å; F97-D123 HydrophobicContact CZ-CB 3.83Å; R100-D123 IonicContact CZ-OD1 3.64Å; R100-D123 IonicContact CZ-OD2 3.63Å; R100-D123 IonicContact NH1-OD1 3.67Å; R100-D123 IonicContact NH1-OD2 3.61Å; R100-D123 PolarHBondContact NH1-OD2 2.74Å; R100-D123 IonicContact NH2-OD1 2.7Å; R100-D123 PolarHBondContact NH2-OD1 3.04Å; R100-D123 IonicContact NH2-OD2 2.74Å; R100-D123 PolarHBondContact NH2-OD2 2.77Å; P119-D123 WeakPolarHBondContact CA-OD2 3.48Å; T120-D123 PolarHBondContact N-OD2 3.47Å; T120-D123 WeakPolarHBondContact O-CB 3.33Å; T120-D123 PolarHBondContact O-N 2.72Å; T120-D123 PolarHBondContact OG1-OD2 2.85Å; T120-D123 VanDerWaalsContact OG1-OD2 3.04Å; L121-D123 PolarHBondContact O-N 2.73Å; D123-G125 PolarHBondContact O-N 2.76Å
124	N	97.5	Very high	97.1	Very high	47 Å²	47	34.9 Å²	34.9	25%	0.251	19%	0.188	S	C	.	.			trans	-56.6	135.1	171.5	-71.1	-1.5	0	0	0	109.5	Y71 P74 L121 K122 L146 V148	Y71-N124 PolarHBondContact OH-O 3.35Å; Y71-N124 VanDerWaalsContact OH-O 3.11Å; P74-N124 WeakPolarHBondContact CD-O 3.43Å; P74-N124 WeakPolarHBondContact CG-O 3.12Å; L121-N124 VanDerWaalsContact O-CG 3.24Å; L121-N124 PolarHBondContact O-ND2 3.05Å; K122-N124 VanDerWaalsContact C-N 3.27Å; N124-L146 WeakPolarHBondContact CA-O 3.34Å; N124-V148 WeakPolarHBondContact OD1-CA 3.38Å; N124-V148 WeakPolarHBondContact OD1-CB 3.44Å; N124-V148 PolarHBondContact OD1-N 3Å
125	G	97.3	Very high	96.7	Very high	4 Å²	4	38.7 Å²	38.7	4%	0.041	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.2	-169.1	-178.7	0	0	0	0	0	112.4	D123 L146	D123-G125 PolarHBondContact O-N 2.76Å; G125-L146 PolarHBondContact N-O 2.87Å; G125-L146 PolarHBondContact O-N 2.81Å
126	T	98.3	Very high	96.2	Very high	29 Å²	29	39 Å²	39	18%	0.178	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.6	179.8	-42.8	0	0	0	0	110.5	Y71 R72 L143 T144	Y71-T126 CarbonylContact C-O 3.57Å; R72-T126 PolarHBondContact N-O 3.33Å; R72-T126 PolarHBondContact NH1-OG1 2.81Å; R72-T126 PolarHBondContact O-N 2.85Å; T126-L143 HydrophobicContact CG2-CB 3.82Å; T126-L143 HydrophobicContact CG2-CD1 4.39Å; T126-L143 HydrophobicContact CG2-CD2 4.31Å; T126-L143 HydrophobicContact CG2-CG 4.4Å; T126-T144 CarbonylContact C-O 3.53Å; T126-T144 WeakPolarHBondContact CA-O 3.38Å
127	F	98.4	Very high	95.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	151.8	174.5	-64.8	-102.5	0	0	0	109.6	L51 W69 T70 Y71 I82 F97 I116 L143 T144 L146	L51-F127 HydrophobicContact CD1-CB 3.97Å; L51-F127 HydrophobicContact CD1-CD1 3.49Å; L51-F127 VanDerWaalsContact CD1-CD1 3.49Å; L51-F127 HydrophobicContact CD1-CD2 4.04Å; L51-F127 HydrophobicContact CD1-CE1 3.92Å; L51-F127 HydrophobicContact CD1-CE2 4.45Å; L51-F127 HydrophobicContact CD1-CG 3.55Å; L51-F127 HydrophobicContact CD1-CZ 4.37Å; W69-F127 HydrophobicContact CE3-CB 4.09Å; W69-F127 HydrophobicContact CZ3-CB 3.82Å; T70-F127 CarbonylContact O-C 3.42Å; T70-F127 VanDerWaalsContact O-CA 3.26Å; T70-F127 WeakPolarHBondContact O-CA 3.27Å; Y71-F127 HydrophobicContact CD2-CD1 4.18Å; Y71-F127 HydrophobicContact CD2-CD2 4.16Å; Y71-F127 AromaticContact CD2-CE1 3.71Å; Y71-F127 HydrophobicContact CD2-CE1 3.71Å; Y71-F127 AromaticContact CD2-CE2 3.65Å; Y71-F127 HydrophobicContact CD2-CE2 3.65Å; Y71-F127 HydrophobicContact CD2-CG 4.4Å; Y71-F127 AromaticContact CD2-CZ 3.42Å; Y71-F127 HydrophobicContact CD2-CZ 3.42Å; Y71-F127 VanDerWaalsContact CD2-CZ 3.42Å; Y71-F127 AromaticContact CE2-CE2 3.93Å; Y71-F127 HydrophobicContact CE2-CE2 3.93Å; Y71-F127 AromaticContact CE2-CZ 3.87Å; Y71-F127 HydrophobicContact CE2-CZ 3.87Å; Y71-F127 HydrophobicContact CG-CE1 4.24Å; Y71-F127 HydrophobicContact CG-CZ 4.33Å; I82-F127 HydrophobicContact CD1-CD1 3.6Å; I82-F127 HydrophobicContact CD1-CE1 3.61Å; F97-F127 HydrophobicContact CE1-CE1 4.42Å; F97-F127 HydrophobicContact CE1-CZ 4.11Å; F97-F127 HydrophobicContact CE2-CE1 4.19Å; F97-F127 HydrophobicContact CE2-CZ 4.09Å; F97-F127 AromaticContact CZ-CE1 3.99Å; F97-F127 HydrophobicContact CZ-CE1 3.99Å; F97-F127 AromaticContact CZ-CZ 3.55Å; F97-F127 HydrophobicContact CZ-CZ 3.55Å; I116-F127 HydrophobicContact CD1-CE1 3.79Å; I116-F127 HydrophobicContact CD1-CE2 4.46Å; I116-F127 HydrophobicContact CD1-CZ 3.65Å; F127-L143 CarbonylContact O-C 3.49Å; F127-L143 WeakPolarHBondContact O-CA 3.45Å; F127-T144 PolarHBondContact N-O 3.41Å; F127-T144 PolarHBondContact O-N 3.11Å; F127-L146 HydrophobicContact CD2-CB 3.94Å; F127-L146 HydrophobicContact CE2-CB 3.62Å; F127-L146 HydrophobicContact CE2-CD2 3.6Å; F127-L146 HydrophobicContact CE2-CG 4.26Å; F127-L146 HydrophobicContact CZ-CD2 3.95Å
128	S	98.1	Very high	94.7	Very high	18 Å²	18	45.1 Å²	45.1	13%	0.126	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	139.3	173.5	62.4	0	0	0	0	111.1	W69 T70 P142	W69-S128 WeakPolarHBondContact CA-O 3.29Å; T70-S128 PolarHBondContact N-O 3.25Å; T70-S128 PolarHBondContact O-N 3.37Å; T70-S128 PolarHBondContact OG1-OG 2.94Å; S128-P142 WeakPolarHBondContact CA-O 3.37Å
129	C	97.8	Very high	93.6	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	106.2	-179.8	176.9	0	0	0	0	108.9	C53 W69 I141	C53-C129 HydrophobicContact CB-CB 3.66Å; C53-C129 WeakPolarHBondContact CB-SG 3.32Å; C53-C129 WeakPolarHBondContact SG-CB 3.4Å; C53-C129 CovalentContact SG-SG 2.04Å; C53-C129 PolarHBondContact SG-SG 3.01Å; W69-C129 HydrophobicContact CD2-CB 4.03Å; W69-C129 HydrophobicContact CE3-CB 4.16Å; W69-C129 HydrophobicContact CH2-CB 3.84Å; W69-C129 HydrophobicContact CZ2-CB 3.7Å; W69-C129 HydrophobicContact CZ3-CB 4.05Å; C129-I141 WeakPolarHBondContact O-CG2 3.37Å
130	A	97.4	Very high	93.1	Very high	14 Å²	14	53.7 Å²	53.7	12%	0.116	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124	175.6	0	0	0	0	0	109.3	I67 D68 I141	I67-A130 CarbonylContact C-O 3.53Å; I67-A130 WeakPolarHBondContact CA-O 3.3Å; D68-A130 HydrophobicContact CB-CB 4.36Å; D68-A130 PolarHBondContact N-O 3.41Å; D68-A130 PolarHBondContact O-N 2.92Å; A130-I141 HydrophobicContact CB-CD1 4.02Å; A130-I141 HydrophobicContact CB-CG1 4.37Å; A130-I141 HydrophobicContact CB-CG2 4.23Å
131	V	97.2	Very high	92.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.9	175.7	-174.8	0	0	0	0	107.8	L33 I35 F55 L65 T66 I67 A112 Y138	L33-V131 HydrophobicContact CD2-CB 4.17Å; L33-V131 HydrophobicContact CD2-CG1 4.14Å; L33-V131 WeakPolarHBondContact CD2-O 3.42Å; I35-V131 HydrophobicContact CD1-CB 3.79Å; I35-V131 HydrophobicContact CD1-CG2 4.08Å; I35-V131 HydrophobicContact CG1-CB 4.16Å; I35-V131 HydrophobicContact CG1-CG2 4.3Å; I35-V131 HydrophobicContact CG2-CG2 4.23Å; F55-V131 HydrophobicContact CB-CB 4.5Å; F55-V131 HydrophobicContact CB-CG1 4.37Å; F55-V131 HydrophobicContact CB-CG2 4.26Å; F55-V131 HydrophobicContact CD1-CG1 4.05Å; F55-V131 HydrophobicContact CD1-CG2 4.15Å; F55-V131 HydrophobicContact CD2-CG1 4.1Å; F55-V131 HydrophobicContact CE1-CG1 4.35Å; F55-V131 HydrophobicContact CE2-CG1 4.4Å; F55-V131 HydrophobicContact CG-CG1 3.92Å; F55-V131 HydrophobicContact CG-CG2 4.34Å; L65-V131 HydrophobicContact CD1-CG1 4.47Å; T66-V131 WeakPolarHBondContact O-CA 3.04Å; I67-V131 HydrophobicContact CG1-CG1 4.21Å; I67-V131 HydrophobicContact CG1-CG2 4.23Å; I67-V131 HydrophobicContact CG2-CG2 4.41Å; A112-V131 HydrophobicContact CB-CG2 4.17Å; V131-Y138 WeakPolarHBondContact O-CD1 3.42Å
132	K	95.7	Very high	92.9	Very high	93 Å²	93	51.7 Å²	51.7	40%	0.404	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.6	172	-62.7	175.2	-179.2	165.7	0	108.5	L65 T66 Y138	L65-K132 VanDerWaalsContact CA-O 3.28Å; L65-K132 WeakPolarHBondContact CA-O 3.17Å; T66-K132 PolarHBondContact N-O 3Å; T66-K132 PolarHBondContact O-N 2.94Å; K132-Y138 HydrophobicContact CG-CD1 4.45Å; K132-Y138 HydrophobicContact CG-CE1 4.03Å
133	N	95.2	Very high	93	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.256	C	S	.	.			trans	-133.9	83.3	173.2	-171.5	35.4	0	0	0	109.4	S57 S59 D60 L65 D136	S57-N133 PolarHBondContact OG-ND2 3.22Å; S59-N133 PolarHBondContact O-ND2 3.02Å; S59-N133 VanDerWaalsContact O-ND2 3.14Å; D60-N133 PolarHBondContact O-ND2 3.31Å; D60-N133 PolarHBondContact O-OD1 3.21Å; L65-N133 HydrophobicContact CD1-CB 4Å; L65-N133 HydrophobicContact CG-CB 4.44Å; N133-D136 VanDerWaalsContact O-CB 3.3Å; N133-D136 WeakPolarHBondContact O-CB 3.34Å; N133-D136 PolarHBondContact O-N 3.26Å
134	P	92.2	Very high	93.1	Very high	70 Å²	70	47.4 Å²	47.4	46%	0.455	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	141.6	-177.9	-23.9	34	0	0	0	111.7
135	P	91.6	Very high	93.2	Very high	80 Å²	80	49.7 Å²	49.7	52%	0.519	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.3	5.4	7.6	36.9	-39.8	0	0	0	115.1	L31 S59	L31-P135 HydrophobicContact CD1-CB 3.78Å; L31-P135 HydrophobicContact CD1-CG 3.63Å; L31-P135 HydrophobicContact CD2-CG 3.98Å; L31-P135 HydrophobicContact CG-CG 4.4Å; S59-P135 WeakPolarHBondContact OG-CD 3.36Å
136	D	87.3	Confident	93.2	Very high	11 Å²	11	49.6 Å²	49.6	6%	0.059	26%	0.264	C	S	.	.			trans	-65.6	140.9	-178.1	-61.6	-13.5	0	0	0	111.6	L31 L33 S57 S58 S59 N133	L31-D136 WeakPolarHBondContact CD2-OD1 3.48Å; L33-D136 HydrophobicContact CB-CB 3.91Å; S57-D136 WeakPolarHBondContact CB-OD2 3.35Å; S57-D136 PolarHBondContact OG-OD2 2.94Å; S58-D136 PolarHBondContact N-OD2 3.34Å; S58-D136 PolarHBondContact OG-OD1 2.85Å; S58-D136 PolarHBondContact OG-OD2 2.96Å; S59-D136 WeakPolarHBondContact CB-OD1 3.31Å; S59-D136 WeakPolarHBondContact CB-OD2 3.45Å; S59-D136 PolarHBondContact N-OD2 3.07Å; S59-D136 PolarHBondContact OG-OD1 3.01Å; N133-D136 VanDerWaalsContact O-CB 3.3Å; N133-D136 WeakPolarHBondContact O-CB 3.34Å; N133-D136 PolarHBondContact O-N 3.26Å
137	V	81.3	Confident	93.2	Very high	88 Å²	88	50.3 Å²	50.3	53%	0.533	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.4	176.1	-175.3	0	0	0	0	108.2	L33	L33-V137 PolarHBondContact N-O 2.56Å
138	Y	83.1	Confident	93.2	Very high	76 Å²	76	50.4 Å²	50.4	30%	0.298	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	146.6	171.1	65.3	-92.5	0	0	0	110	V131 K132 I141	V131-Y138 WeakPolarHBondContact O-CD1 3.42Å; K132-Y138 HydrophobicContact CG-CD1 4.45Å; K132-Y138 HydrophobicContact CG-CE1 4.03Å; Y138-I141 HydrophobicContact CD2-CG1 3.85Å; Y138-I141 HydrophobicContact CE2-CD1 3.67Å; Y138-I141 HydrophobicContact CE2-CG1 3.43Å; Y138-I141 VanDerWaalsContact CE2-CG1 3.43Å
139	H	73.7	Confident	93.1	Very high	143 Å²	143	52.3 Å²	52.3	66%	0.662	28%	0.279	S	S	*	.	S	Bend	trans	-98.9	-28.6	178.1	-67.1	-60.5	0	0	0	113.4
140	N	86.8	Confident	92.9	Very high	139 Å²	139	58.9 Å²	58.9	74%	0.743	31%	0.31	S	S	*	.			trans	-145.6	140	-179.7	-82.8	-34.6	0	0	0	111.5
141	I	94.9	Very high	92.4	Very high	65 Å²	65	63.4 Å²	63.4	33%	0.333	32%	0.324	S	S	.	.			trans	-97.8	117.5	173.5	-59.3	172.4	0	0	0	107.4	C129 A130 Y138	C129-I141 WeakPolarHBondContact O-CG2 3.37Å; A130-I141 HydrophobicContact CB-CD1 4.02Å; A130-I141 HydrophobicContact CB-CG1 4.37Å; A130-I141 HydrophobicContact CB-CG2 4.23Å; Y138-I141 HydrophobicContact CD2-CG1 3.85Å; Y138-I141 HydrophobicContact CE2-CD1 3.67Å; Y138-I141 HydrophobicContact CE2-CG1 3.43Å; Y138-I141 VanDerWaalsContact CE2-CG1 3.43Å
142	P	96.1	Very high	91.4	Very high	26 Å²	26	65.4 Å²	65.4	17%	0.169	35%	0.345	C	S	.	.			trans	-69.2	147.2	-180	29.1	-34.8	0	0	0	111.2	I35 A37 S128	I35-P142 HydrophobicContact CB-CG 4.07Å; I35-P142 HydrophobicContact CG2-CG 3.61Å; A37-P142 HydrophobicContact CB-CB 3.97Å; A37-P142 HydrophobicContact CB-CG 3.94Å; S128-P142 WeakPolarHBondContact CA-O 3.37Å
143	L	97.4	Very high	90	Very high	91 Å²	91	68.6 Å²	68.6	48%	0.476	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.6	176.7	-59.1	-177.8	0	0	0	109.5	T126 F127	T126-L143 HydrophobicContact CG2-CB 3.82Å; T126-L143 HydrophobicContact CG2-CD1 4.39Å; T126-L143 HydrophobicContact CG2-CD2 4.31Å; T126-L143 HydrophobicContact CG2-CG 4.4Å; F127-L143 CarbonylContact O-C 3.49Å; F127-L143 WeakPolarHBondContact O-CA 3.45Å
144	T	98.5	Very high	88.6	Confident	1 Å²	1	71 Å²	71	1%	0.006	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.9	176.4	-63.5	0	0	0	0	109.2	D38 V41 L51 T126 F127	D38-T144 VanDerWaalsContact O-CB 3.26Å; D38-T144 WeakPolarHBondContact O-CB 3.46Å; D38-T144 WeakPolarHBondContact O-CG2 3.27Å; D38-T144 PolarHBondContact O-OG1 3.13Å; V41-T144 HydrophobicContact CB-CG2 4.17Å; V41-T144 HydrophobicContact CG2-CG2 3.6Å; L51-T144 HydrophobicContact CD2-CG2 4.2Å; T126-T144 CarbonylContact C-O 3.53Å; T126-T144 WeakPolarHBondContact CA-O 3.38Å; F127-T144 PolarHBondContact N-O 3.41Å; F127-T144 PolarHBondContact O-N 3.11Å
145	E	98.4	Very high	87.4	Confident	94 Å²	94	71.9 Å²	71.9	44%	0.439	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.2	171	-170.1	178.5	174.9	0	0	110.2	A39 H40 V41	A39-E145 PolarHBondContact O-N 2.88Å; H40-E145 CarbonylContact C-O 3.55Å; H40-E145 WeakPolarHBondContact CA-O 3.25Å; H40-E145 IonicContact CD2-OE2 3.5Å; H40-E145 IonicContact NE2-OE2 3.44Å; H40-E145 PolarHBondContact NE2-OE2 3.42Å; V41-E145 PolarHBondContact N-O 3.34Å
146	L	98.4	Very high	86.4	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.01	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.4	176	179.1	62.4	0	0	0	110.2	V41 I49 L51 I116 N124 G125 F127 V148	V41-L146 HydrophobicContact CB-CD1 4.18Å; V41-L146 HydrophobicContact CG1-CD1 3.95Å; V41-L146 WeakPolarHBondContact O-CA 3.32Å; I49-L146 HydrophobicContact CD1-CD1 4.06Å; I49-L146 HydrophobicContact CG2-CD1 4.17Å; L51-L146 HydrophobicContact CD2-CD1 4.45Å; I116-L146 HydrophobicContact CD1-CD2 3.89Å; N124-L146 WeakPolarHBondContact CA-O 3.34Å; G125-L146 PolarHBondContact N-O 2.87Å; G125-L146 PolarHBondContact O-N 2.81Å; F127-L146 HydrophobicContact CD2-CB 3.94Å; F127-L146 HydrophobicContact CE2-CB 3.62Å; F127-L146 HydrophobicContact CE2-CD2 3.6Å; F127-L146 HydrophobicContact CE2-CG 4.26Å; F127-L146 HydrophobicContact CZ-CD2 3.95Å; L146-V148 HydrophobicContact CD1-CG2 4.39Å; L146-V148 HydrophobicContact CD2-CG2 4.12Å; L146-V148 HydrophobicContact CG-CG2 4.04Å
147	T	98	Very high	85.6	Confident	44 Å²	44	76 Å²	76	27%	0.27	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.2	168.9	-47.5	0	0	0	0	110.2	V41 R42 G43 T149	V41-T147 PolarHBondContact O-N 3.26Å; R42-T147 WeakPolarHBondContact CA-O 2.94Å; G43-T147 PolarHBondContact N-O 2.75Å; T147-T149 HydrophobicContact CG2-CG2 4.16Å
148	V	97.5	Very high	85.7	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.012	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.8	172.9	-171.6	0	0	0	0	108.7	G43 V45 I49 P119 L121 N124 L146	G43-V148 WeakPolarHBondContact O-CA 3.31Å; V45-V148 HydrophobicContact CG2-CG1 3.82Å; I49-V148 HydrophobicContact CD1-CG2 4.26Å; P119-V148 HydrophobicContact CB-CG1 4.38Å; P119-V148 HydrophobicContact CB-CG2 4.12Å; L121-V148 HydrophobicContact CD2-CG1 4.44Å; L121-V148 WeakPolarHBondContact CD2-O 3.49Å; N124-V148 WeakPolarHBondContact OD1-CA 3.38Å; N124-V148 WeakPolarHBondContact OD1-CB 3.44Å; N124-V148 PolarHBondContact OD1-N 3Å; L146-V148 HydrophobicContact CD1-CG2 4.39Å; L146-V148 HydrophobicContact CD2-CG2 4.12Å; L146-V148 HydrophobicContact CG-CG2 4.04Å
149	T	95.9	Very high	85.8	Confident	58 Å²	58	73.8 Å²	73.8	36%	0.356	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	161.1	176.1	59.7	0	0	0	0	111.3	G43 Y44 V45 T147	G43-T149 PolarHBondContact O-N 2.91Å; Y44-T149 WeakPolarHBondContact CA-O 3.03Å; V45-T149 PolarHBondContact N-O 3.44Å; T147-T149 HydrophobicContact CG2-CG2 4.16Å
150	E	93.6	Very high	86.3	Confident	140 Å²	140	71.2 Å²	71.2	65%	0.654	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-78.6	142.4	170.3	-65.1	-176.4	172.1	0	0	109.8	V45 G152	V45-E150 HydrophobicContact CG2-CG 3.98Å; E150-G152 PolarHBondContact O-N 3.45Å
151	R	86.8	Confident	86.4	Confident	108 Å²	108	66.7 Å²	66.7	41%	0.408	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-71.6	116.3	165.8	-78.7	-158.2	177.2	154.9	3.8	108.2	Y44 E47 F153	Y44-R151 HydrophobicContact CD1-CB 4.43Å; Y44-R151 HydrophobicContact CD1-CG 3.38Å; Y44-R151 HydrophobicContact CD2-CG 4.25Å; Y44-R151 HydrophobicContact CE1-CG 3.83Å; Y44-R151 HydrophobicContact CG-CG 3.61Å; E47-R151 VanDerWaalsContact CD-NH2 3.3Å; E47-R151 IonicContact OE1-CZ 3.72Å; E47-R151 IonicContact OE1-NE 3.4Å; E47-R151 PolarHBondContact OE1-NE 3.24Å; E47-R151 IonicContact OE1-NH1 2.73Å; E47-R151 PolarHBondContact OE1-NH1 2.85Å; E47-R151 IonicContact OE1-NH2 3.52Å; E47-R151 PolarHBondContact OE1-NH2 3.42Å; E47-R151 VanDerWaalsContact OE1-NH2 3.12Å; E47-R151 IonicContact OE2-CZ 2.81Å; E47-R151 IonicContact OE2-NE 3.32Å; E47-R151 IonicContact OE2-NH1 3.83Å; E47-R151 IonicContact OE2-NH2 3.12Å; E47-R151 PolarHBondContact OE2-NH2 2.95Å; R151-F153 PolarHBondContact O-N 2.81Å
152	G	77.5	Confident	86.1	Confident	43 Å²	43	68.5 Å²	68.5	44%	0.443	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-60.5	131.3	171.6	0	0	0	0	0	110.3	E150 G154 T155	E150-G152 PolarHBondContact O-N 3.45Å; G152-G154 PolarHBondContact O-N 2.78Å; G152-T155 PolarHBondContact O-N 2.92Å; G152-T155 PolarHBondContact O-OG1 2.95Å
153	F	65.4	Low	85.9	Confident	159 Å²	159	72.7 Å²	72.7	70%	0.697	41%	0.409	S	S	*	.	H	α-helix	trans	-50	-32.6	174.4	-172	-115.4	0	0	0	112.2	R151 T155 M156 L157	R151-F153 PolarHBondContact O-N 2.81Å; F153-T155 PolarHBondContact O-N 3.19Å; F153-M156 PolarHBondContact O-N 2.78Å; F153-L157 HydrophobicContact CD1-CD1 3.47Å; F153-L157 VanDerWaalsContact CD1-CD1 3.47Å; F153-L157 HydrophobicContact CD1-CG 3.99Å; F153-L157 HydrophobicContact CE1-CD1 3.15Å; F153-L157 HydrophobicContact CE1-CD2 4.26Å; F153-L157 HydrophobicContact CE1-CG 3.78Å; F153-L157 HydrophobicContact CE2-CG 4.42Å; F153-L157 HydrophobicContact CG-CD1 4.36Å; F153-L157 HydrophobicContact CG-CG 4.44Å; F153-L157 HydrophobicContact CZ-CD1 3.79Å; F153-L157 HydrophobicContact CZ-CD2 4.03Å; F153-L157 HydrophobicContact CZ-CG 3.98Å; F153-L157 WeakPolarHBondContact O-CG 3.44Å; F153-L157 PolarHBondContact O-N 3.39Å
154	G	65.7	Low	85.6	Confident	50 Å²	50	70.3 Å²	70.3	52%	0.515	40%	0.401	S	S	.	.	H	α-helix	trans	-63.8	-31.2	177.7	0	0	0	0	0	115.6	G152 S158	G152-G154 PolarHBondContact O-N 2.78Å; G154-S158 WeakPolarHBondContact O-CB 2.99Å; G154-S158 PolarHBondContact O-N 3.23Å
155	T	67.6	Low	85.4	Confident	90 Å²	90	74.4 Å²	74.4	55%	0.552	42%	0.422	S	S	*	.	H	α-helix	trans	-76.9	-33.8	-179.7	61.2	0	0	0	0	111.9	G152 F153 S159	G152-T155 PolarHBondContact O-N 2.92Å; G152-T155 PolarHBondContact O-OG1 2.95Å; F153-T155 PolarHBondContact O-N 3.19Å; T155-S159 PolarHBondContact O-N 3.05Å; T155-S159 PolarHBondContact O-OG 3.07Å
156	M	69.8	Low	85.2	Confident	90 Å²	90	76 Å²	76	44%	0.443	43%	0.432	S	S	.	.	H	α-helix	trans	-69.3	-47.7	172.3	-78.1	-76.4	156.8	0	0	111.5	F153 S158 S159 V160	F153-M156 PolarHBondContact O-N 2.78Å; M156-S158 VanDerWaalsContact C-N 3.32Å; M156-S158 PolarHBondContact O-N 2.81Å; M156-S159 PolarHBondContact O-N 2.91Å; M156-S159 PolarHBondContact O-OG 3.43Å; M156-V160 WeakPolarHBondContact O-CG2 3.46Å; M156-V160 PolarHBondContact O-N 3.41Å; M156-V160 VanDerWaalsContact O-N 3.14Å
157	L	72.4	Confident	85.1	Confident	87 Å²	87	80.5 Å²	80.5	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-63.7	-38.6	176	-73.4	-173.2	0	0	0	112.3	F153 V160 A161	F153-L157 HydrophobicContact CD1-CD1 3.47Å; F153-L157 VanDerWaalsContact CD1-CD1 3.47Å; F153-L157 HydrophobicContact CD1-CG 3.99Å; F153-L157 HydrophobicContact CE1-CD1 3.15Å; F153-L157 HydrophobicContact CE1-CD2 4.26Å; F153-L157 HydrophobicContact CE1-CG 3.78Å; F153-L157 HydrophobicContact CE2-CG 4.42Å; F153-L157 HydrophobicContact CG-CD1 4.36Å; F153-L157 HydrophobicContact CG-CG 4.44Å; F153-L157 HydrophobicContact CZ-CD1 3.79Å; F153-L157 HydrophobicContact CZ-CD2 4.03Å; F153-L157 HydrophobicContact CZ-CG 3.98Å; F153-L157 WeakPolarHBondContact O-CG 3.44Å; F153-L157 PolarHBondContact O-N 3.39Å; L157-V160 PolarHBondContact O-N 3.09Å; L157-A161 WeakPolarHBondContact O-CB 3.36Å; L157-A161 PolarHBondContact O-N 3.24Å
158	S	82.2	Confident	84.9	Confident	64 Å²	64	85.2 Å²	85.2	45%	0.448	48%	0.477	S	S	.	.	H	α-helix	trans	-62.6	-46.6	179.5	-178.1	0	0	0	0	111.7	G154 M156 A161 L162	G154-S158 WeakPolarHBondContact O-CB 2.99Å; G154-S158 PolarHBondContact O-N 3.23Å; M156-S158 VanDerWaalsContact C-N 3.32Å; M156-S158 PolarHBondContact O-N 2.81Å; S158-A161 PolarHBondContact O-N 3.46Å; S158-L162 WeakPolarHBondContact O-CB 3.47Å; S158-L162 WeakPolarHBondContact O-CG 3.12Å; S158-L162 PolarHBondContact O-N 3.38Å
159	S	84.3	Confident	84.8	Confident	53 Å²	53	89.8 Å²	89.8	37%	0.371	50%	0.5	S	S	.	.	H	α-helix	trans	-65.3	-43.5	178.2	62.4	0	0	0	0	112.3	T155 M156 L162 L163	T155-S159 PolarHBondContact O-N 3.05Å; T155-S159 PolarHBondContact O-OG 3.07Å; M156-S159 PolarHBondContact O-N 2.91Å; M156-S159 PolarHBondContact O-OG 3.43Å; S159-L162 PolarHBondContact O-N 2.04Å; S159-L163 WeakPolarHBondContact O-CB 3.2Å; S159-L163 VanDerWaalsContact O-CG 3.27Å; S159-L163 WeakPolarHBondContact O-CG 3.26Å; S159-L163 PolarHBondContact O-N 2.86Å
160	V	85.7	Confident	84.8	Confident	90 Å²	90	90.3 Å²	90.3	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-64.6	-42.2	176.8	175	0	0	0	0	111.5	M156 L157 L163 S164	M156-V160 WeakPolarHBondContact O-CG2 3.46Å; M156-V160 PolarHBondContact O-N 3.41Å; M156-V160 VanDerWaalsContact O-N 3.14Å; L157-V160 PolarHBondContact O-N 3.09Å; V160-L163 PolarHBondContact O-N 2.79Å; V160-S164 WeakPolarHBondContact O-CB 3.39Å; V160-S164 PolarHBondContact O-N 2.79Å; V160-S164 PolarHBondContact O-OG 3.11Å
161	A	87.5	Confident	84.9	Confident	44 Å²	44	87 Å²	87	36%	0.364	50%	0.496	S	S	.	.	H	α-helix	trans	-64.5	-41	176.5	0	0	0	0	0	111.9	L157 S158 S164 I165	L157-A161 WeakPolarHBondContact O-CB 3.36Å; L157-A161 PolarHBondContact O-N 3.24Å; S158-A161 PolarHBondContact O-N 3.46Å; A161-S164 WeakPolarHBondContact CA-OG 3.33Å; A161-S164 PolarHBondContact O-N 2.77Å; A161-S164 PolarHBondContact O-OG 3.44Å; A161-I165 WeakPolarHBondContact O-CB 3.45Å; A161-I165 WeakPolarHBondContact O-CD1 3.33Å; A161-I165 WeakPolarHBondContact O-CG1 3.28Å; A161-I165 PolarHBondContact O-N 2.85Å
162	L	89.3	Confident	85.3	Confident	102 Å²	102	84 Å²	84	53%	0.534	50%	0.496	S	S	.	.	H	α-helix	trans	-65.2	-44.5	175.8	-72.2	171.5	0	0	0	111.7	S158 S159 I165 L166	S158-L162 WeakPolarHBondContact O-CB 3.47Å; S158-L162 WeakPolarHBondContact O-CG 3.12Å; S158-L162 PolarHBondContact O-N 3.38Å; S159-L162 PolarHBondContact O-N 2.04Å; L162-I165 PolarHBondContact O-N 2.84Å; L162-L166 WeakPolarHBondContact O-CG 3.5Å; L162-L166 PolarHBondContact O-N 3.38Å
163	L	91.5	Very high	86.2	Confident	114 Å²	114	85.5 Å²	85.5	60%	0.597	50%	0.496	S	S	*	.	H	α-helix	trans	-65.1	-39.9	177.6	-70.6	176.4	0	0	0	111.9	S159 V160 L166 V167	S159-L163 WeakPolarHBondContact O-CB 3.2Å; S159-L163 VanDerWaalsContact O-CG 3.27Å; S159-L163 WeakPolarHBondContact O-CG 3.26Å; S159-L163 PolarHBondContact O-N 2.86Å; V160-L163 PolarHBondContact O-N 2.79Å; L163-L166 PolarHBondContact O-N 2.88Å; L163-V167 WeakPolarHBondContact O-CG2 3.27Å; L163-V167 PolarHBondContact O-N 3.35Å
164	S	92.3	Very high	87.7	Confident	42 Å²	42	81.8 Å²	81.8	29%	0.294	49%	0.486	S	S	.	.	H	α-helix	trans	-64.8	-46.7	176.9	72.1	0	0	0	0	110.8	V160 A161 L166 V167 F168	V160-S164 WeakPolarHBondContact O-CB 3.39Å; V160-S164 PolarHBondContact O-N 2.79Å; V160-S164 PolarHBondContact O-OG 3.11Å; A161-S164 WeakPolarHBondContact CA-OG 3.33Å; A161-S164 PolarHBondContact O-N 2.77Å; A161-S164 PolarHBondContact O-OG 3.44Å; S164-L166 VanDerWaalsContact C-N 3.31Å; S164-L166 PolarHBondContact O-N 3.29Å; S164-V167 PolarHBondContact O-N 2.69Å; S164-V167 VanDerWaalsContact O-N 3.12Å; S164-F168 WeakPolarHBondContact O-CB 3.35Å; S164-F168 WeakPolarHBondContact O-CD2 3.26Å; S164-F168 PolarHBondContact O-N 3.44Å
165	I	94.1	Very high	89.1	Confident	87 Å²	87	83 Å²	83	45%	0.446	48%	0.483	S	S	.	.	H	α-helix	trans	-54.6	-46.2	175.3	-75.3	168.3	0	0	0	111.3	A161 L162 V167 I169	A161-I165 WeakPolarHBondContact O-CB 3.45Å; A161-I165 WeakPolarHBondContact O-CD1 3.33Å; A161-I165 WeakPolarHBondContact O-CG1 3.28Å; A161-I165 PolarHBondContact O-N 2.85Å; L162-I165 PolarHBondContact O-N 2.84Å; I165-V167 VanDerWaalsContact C-N 3.26Å; I165-V167 PolarHBondContact O-N 2.7Å; I165-I169 HydrophobicContact CG2-CD1 3.64Å; I165-I169 HydrophobicContact CG2-CG1 4.18Å; I165-I169 VanDerWaalsContact O-CB 3.29Å; I165-I169 WeakPolarHBondContact O-CB 3.18Å; I165-I169 VanDerWaalsContact O-CG1 3.3Å; I165-I169 WeakPolarHBondContact O-CG1 3.28Å; I165-I169 PolarHBondContact O-N 3Å; I165-I169 VanDerWaalsContact O-N 3.12Å
166	L	94.1	Very high	90.5	Very high	126 Å²	126	83.5 Å²	83.5	66%	0.66	48%	0.481	S	S	*	.	H	α-helix	trans	-63.8	-26.9	-179.5	-75.8	171.3	0	0	0	114	L162 L163 S164 P170	L162-L166 WeakPolarHBondContact O-CG 3.5Å; L162-L166 PolarHBondContact O-N 3.38Å; L163-L166 PolarHBondContact O-N 2.88Å; S164-L166 VanDerWaalsContact C-N 3.31Å; S164-L166 PolarHBondContact O-N 3.29Å; L166-P170 WeakPolarHBondContact O-CD 3.49Å; L166-P170 WeakPolarHBondContact O-CG 3.13Å
167	V	95.5	Very high	91.7	Very high	97 Å²	97	83.2 Å²	83.2	59%	0.588	48%	0.481	S	S	*	.	H	α-helix	trans	-94.1	-46.5	-179.8	177.4	0	0	0	0	111.5	L163 S164 I165 P170 S171	L163-V167 WeakPolarHBondContact O-CG2 3.27Å; L163-V167 PolarHBondContact O-N 3.35Å; S164-V167 PolarHBondContact O-N 2.69Å; S164-V167 VanDerWaalsContact O-N 3.12Å; I165-V167 VanDerWaalsContact C-N 3.26Å; I165-V167 PolarHBondContact O-N 2.7Å; V167-P170 WeakPolarHBondContact O-CD 3.34Å; V167-S171 WeakPolarHBondContact O-CB 3.49Å
168	F	94.9	Very high	92.7	Very high	143 Å²	143	83.3 Å²	83.3	63%	0.627	48%	0.482	S	S	*	.	H	α-helix	trans	-75.9	-36.7	-172.8	-68.9	-67.2	0	0	0	112.9	S164 A172	S164-F168 WeakPolarHBondContact O-CB 3.35Å; S164-F168 WeakPolarHBondContact O-CD2 3.26Å; S164-F168 PolarHBondContact O-N 3.44Å; F168-A172 VanDerWaalsContact O-CB 3.31Å; F168-A172 WeakPolarHBondContact O-CB 3.4Å; F168-A172 PolarHBondContact O-N 2.95Å
169	I	95.3	Very high	93.2	Very high	99 Å²	99	85.2 Å²	85.2	51%	0.508	49%	0.486	S	S	.	.	H	α-helix	trans	-62.5	-53.6	179.2	-65	-165.7	0	0	0	112.6	I165 S171 A172 V173	I165-I169 HydrophobicContact CG2-CD1 3.64Å; I165-I169 HydrophobicContact CG2-CG1 4.18Å; I165-I169 VanDerWaalsContact O-CB 3.29Å; I165-I169 WeakPolarHBondContact O-CB 3.18Å; I165-I169 VanDerWaalsContact O-CG1 3.3Å; I165-I169 WeakPolarHBondContact O-CG1 3.28Å; I165-I169 PolarHBondContact O-N 3Å; I165-I169 VanDerWaalsContact O-N 3.12Å; I169-S171 VanDerWaalsContact C-N 3.3Å; I169-S171 PolarHBondContact O-N 3.47Å; I169-A172 PolarHBondContact O-N 2.85Å; I169-V173 HydrophobicContact CG2-CG2 4.35Å; I169-V173 VanDerWaalsContact O-CG2 3.31Å; I169-V173 WeakPolarHBondContact O-CG2 3.46Å; I169-V173 PolarHBondContact O-N 2.81Å
170	P	95.4	Very high	93.6	Very high	68 Å²	68	85.5 Å²	85.5	44%	0.442	49%	0.486	S	S	.	.	H	α-helix	trans	-64.1	-36.2	-179.6	22.9	-32	0	0	0	112.4	L166 V167 V173 V174	L166-P170 WeakPolarHBondContact O-CD 3.49Å; L166-P170 WeakPolarHBondContact O-CG 3.13Å; V167-P170 WeakPolarHBondContact O-CD 3.34Å; P170-V173 PolarHBondContact O-N 2.78Å; P170-V174 WeakPolarHBondContact O-CG2 3.49Å; P170-V174 PolarHBondContact O-N 3.03Å
171	S	95.6	Very high	93.7	Very high	70 Å²	70	88.8 Å²	88.8	49%	0.49	49%	0.488	S	S	.	.	H	α-helix	trans	-59.9	-49.2	173.9	-177	0	0	0	0	111.5	V167 I169 V173 V174 V175	V167-S171 WeakPolarHBondContact O-CB 3.49Å; I169-S171 VanDerWaalsContact C-N 3.3Å; I169-S171 PolarHBondContact O-N 3.47Å; S171-V173 VanDerWaalsContact C-N 3.34Å; S171-V173 PolarHBondContact O-N 3.44Å; S171-V174 PolarHBondContact O-N 2.87Å; S171-V175 WeakPolarHBondContact O-CG2 3.44Å; S171-V175 PolarHBondContact O-N 2.81Å
172	A	95.9	Very high	93.6	Very high	47 Å²	47	92.4 Å²	92.4	39%	0.388	50%	0.499	S	S	.	.	H	α-helix	trans	-60.2	-42.3	177	0	0	0	0	0	112	F168 I169 V174 V175 I176	F168-A172 VanDerWaalsContact O-CB 3.31Å; F168-A172 WeakPolarHBondContact O-CB 3.4Å; F168-A172 PolarHBondContact O-N 2.95Å; I169-A172 PolarHBondContact O-N 2.85Å; A172-V174 PolarHBondContact O-N 2.83Å; A172-V175 PolarHBondContact O-N 3.46Å; A172-I176 WeakPolarHBondContact O-CB 3.38Å; A172-I176 WeakPolarHBondContact O-CD1 3.45Å; A172-I176 WeakPolarHBondContact O-CG1 3.35Å; A172-I176 PolarHBondContact O-N 2.68Å
173	V	96.5	Very high	93.2	Very high	73 Å²	73	89.3 Å²	89.3	44%	0.442	49%	0.492	S	S	.	.	H	α-helix	trans	-60	-45	176.3	171.3	0	0	0	0	111.2	I169 P170 S171 I176 L177	I169-V173 HydrophobicContact CG2-CG2 4.35Å; I169-V173 VanDerWaalsContact O-CG2 3.31Å; I169-V173 WeakPolarHBondContact O-CG2 3.46Å; I169-V173 PolarHBondContact O-N 2.81Å; P170-V173 PolarHBondContact O-N 2.78Å; S171-V173 VanDerWaalsContact C-N 3.34Å; S171-V173 PolarHBondContact O-N 3.44Å; V173-I176 PolarHBondContact O-N 2.91Å; V173-L177 HydrophobicContact CG1-CD1 3.98Å; V173-L177 HydrophobicContact CG1-CG 4.4Å; V173-L177 WeakPolarHBondContact O-CB 3.47Å; V173-L177 VanDerWaalsContact O-CG 3.24Å; V173-L177 WeakPolarHBondContact O-CG 3.43Å; V173-L177 PolarHBondContact O-N 3.14Å
174	V	96.3	Very high	92.3	Very high	82 Å²	82	92.6 Å²	92.6	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-61.7	-46.8	177.5	172.7	0	0	0	0	111	P170 S171 A172 I176 L177 L178	P170-V174 WeakPolarHBondContact O-CG2 3.49Å; P170-V174 PolarHBondContact O-N 3.03Å; S171-V174 PolarHBondContact O-N 2.87Å; A172-V174 PolarHBondContact O-N 2.83Å; V174-I176 PolarHBondContact O-N 2.92Å; V174-L177 PolarHBondContact O-N 2.93Å; V174-L178 HydrophobicContact CG1-CD1 4.17Å; V174-L178 HydrophobicContact CG1-CG 4.47Å; V174-L178 WeakPolarHBondContact O-CG 3.3Å; V174-L178 PolarHBondContact O-N 2.91Å
175	V	95.9	Very high	91	Very high	75 Å²	75	98.7 Å²	98.7	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-59.1	-47.9	178	173.3	0	0	0	0	110.9	S171 A172 L177 L178 L179	S171-V175 WeakPolarHBondContact O-CG2 3.44Å; S171-V175 PolarHBondContact O-N 2.81Å; A172-V175 PolarHBondContact O-N 3.46Å; V175-L177 VanDerWaalsContact C-N 3.33Å; V175-L177 PolarHBondContact O-N 3.04Å; V175-L178 PolarHBondContact O-N 2.66Å; V175-L179 HydrophobicContact CG1-CD1 4.06Å; V175-L179 HydrophobicContact CG1-CG 4.41Å; V175-L179 WeakPolarHBondContact O-CG 3.42Å; V175-L179 PolarHBondContact O-N 3.17Å
176	I	95.8	Very high	89.4	Confident	101 Å²	101	97.7 Å²	97.7	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-59.6	-43.8	177.8	-68.7	165.1	0	0	0	110.8	A172 V173 V174 L178 L179 V180	A172-I176 WeakPolarHBondContact O-CB 3.38Å; A172-I176 WeakPolarHBondContact O-CD1 3.45Å; A172-I176 WeakPolarHBondContact O-CG1 3.35Å; A172-I176 PolarHBondContact O-N 2.68Å; V173-I176 PolarHBondContact O-N 2.91Å; V174-I176 PolarHBondContact O-N 2.92Å; I176-L178 VanDerWaalsContact C-N 3.33Å; I176-L178 PolarHBondContact O-N 3.48Å; I176-L179 PolarHBondContact O-N 2.93Å; I176-V180 HydrophobicContact CG2-CG2 4.47Å; I176-V180 WeakPolarHBondContact O-CG2 3.35Å; I176-V180 PolarHBondContact O-N 3.27Å
177	L	94.9	Very high	87.6	Confident	83 Å²	83	96.5 Å²	96.5	44%	0.435	52%	0.521	S	S	.	.	H	α-helix	trans	-63	-38.2	177.4	-72.6	173.6	0	0	0	112.5	V173 V174 V175 R181	V173-L177 HydrophobicContact CG1-CD1 3.98Å; V173-L177 HydrophobicContact CG1-CG 4.4Å; V173-L177 WeakPolarHBondContact O-CB 3.47Å; V173-L177 VanDerWaalsContact O-CG 3.24Å; V173-L177 WeakPolarHBondContact O-CG 3.43Å; V173-L177 PolarHBondContact O-N 3.14Å; V174-L177 PolarHBondContact O-N 2.93Å; V175-L177 VanDerWaalsContact C-N 3.33Å; V175-L177 PolarHBondContact O-N 3.04Å; L177-R181 VanDerWaalsContact O-CG 3.31Å; L177-R181 WeakPolarHBondContact O-CG 3.42Å; L177-R181 PolarHBondContact O-N 2.81Å
178	L	93.7	Very high	85.6	Confident	89 Å²	89	94.1 Å²	94.1	47%	0.466	52%	0.516	S	S	.	.	H	α-helix	trans	-66.3	-45.2	175.2	-67.7	175.6	0	0	0	111.3	V174 V175 I176 V180 R181 M182	V174-L178 HydrophobicContact CG1-CD1 4.17Å; V174-L178 HydrophobicContact CG1-CG 4.47Å; V174-L178 WeakPolarHBondContact O-CG 3.3Å; V174-L178 PolarHBondContact O-N 2.91Å; V175-L178 PolarHBondContact O-N 2.66Å; I176-L178 VanDerWaalsContact C-N 3.33Å; I176-L178 PolarHBondContact O-N 3.48Å; L178-V180 PolarHBondContact O-N 2.89Å; L178-R181 PolarHBondContact O-N 2.54Å; L178-M182 WeakPolarHBondContact O-CG 3.31Å; L178-M182 PolarHBondContact O-N 3.1Å
179	L	92.9	Very high	83.6	Confident	104 Å²	104	90.8 Å²	90.8	55%	0.545	51%	0.514	S	S	.	.	H	α-helix	trans	-59.2	-44.7	176.6	-68.1	173.8	0	0	0	111.8	V175 I176 R181 M182 G183	V175-L179 HydrophobicContact CG1-CD1 4.06Å; V175-L179 HydrophobicContact CG1-CG 4.41Å; V175-L179 WeakPolarHBondContact O-CG 3.42Å; V175-L179 PolarHBondContact O-N 3.17Å; I176-L179 PolarHBondContact O-N 2.93Å; L179-R181 PolarHBondContact O-N 3.44Å; L179-M182 HydrophobicContact CD2-CE 3.81Å; L179-M182 PolarHBondContact O-N 3.23Å; L179-G183 PolarHBondContact O-N 3.12Å
180	V	93.3	Very high	81.3	Confident	60 Å²	60	94.7 Å²	94.7	36%	0.364	53%	0.528	S	S	.	.	H	α-helix	trans	-64.3	-40.7	177.1	172.5	0	0	0	0	111.8	I176 L178 G183 R184	I176-V180 HydrophobicContact CG2-CG2 4.47Å; I176-V180 WeakPolarHBondContact O-CG2 3.35Å; I176-V180 PolarHBondContact O-N 3.27Å; L178-V180 PolarHBondContact O-N 2.89Å; V180-G183 PolarHBondContact O-N 2.8Å; V180-R184 HydrophobicContact CG1-CG 4.44Å; V180-R184 WeakPolarHBondContact O-CB 3.41Å; V180-R184 WeakPolarHBondContact O-CG 3.34Å; V180-R184 PolarHBondContact O-N 2.9Å
181	R	87.9	Confident	78.7	Confident	158 Å²	158	100.7 Å²	100.7	60%	0.596	55%	0.547	S	S	*	.	H	α-helix	trans	-63.8	-42	176.4	-76.6	-177.8	-178.7	114.8	-3	111.9	L177 L178 L179 K185	L177-R181 VanDerWaalsContact O-CG 3.31Å; L177-R181 WeakPolarHBondContact O-CG 3.42Å; L177-R181 PolarHBondContact O-N 2.81Å; L178-R181 PolarHBondContact O-N 2.54Å; L179-R181 PolarHBondContact O-N 3.44Å; R181-K185 WeakPolarHBondContact O-CB 3.5Å; R181-K185 PolarHBondContact O-N 3.2Å; R181-K185 VanDerWaalsContact O-N 3.1Å
182	M	85.1	Confident	76.1	Confident	120 Å²	120	108.4 Å²	108.4	59%	0.591	57%	0.565	S	S	*	*	H	α-helix	trans	-65.5	-42.3	176.2	-67.4	-171.1	-62.4	0	0	111.6	L178 L179 K185 A186	L178-M182 WeakPolarHBondContact O-CG 3.31Å; L178-M182 PolarHBondContact O-N 3.1Å; L179-M182 HydrophobicContact CD2-CE 3.81Å; L179-M182 PolarHBondContact O-N 3.23Å; M182-K185 PolarHBondContact O-N 3.19Å; M182-A186 PolarHBondContact O-N 2.91Å; M182-A186 VanDerWaalsContact O-N 3.1Å
183	G	79.4	Confident	73.7	Confident	37 Å²	37	111.5 Å²	111.5	38%	0.381	58%	0.584	S	S	.	*	H	α-helix	trans	-64.1	-42	176.3	0	0	0	0	0	113.9	L179 V180 K185 A186 T187	L179-G183 PolarHBondContact O-N 3.12Å; V180-G183 PolarHBondContact O-N 2.8Å; G183-K185 VanDerWaalsContact C-N 3.34Å; G183-K185 PolarHBondContact O-N 2.88Å; G183-A186 PolarHBondContact O-N 3.19Å; G183-T187 PolarHBondContact O-N 3.19Å; G183-T187 VanDerWaalsContact O-N 3.11Å; G183-T187 PolarHBondContact O-OG1 3.01Å
184	R	73.5	Confident	71.3	Confident	183 Å²	183	119.7 Å²	119.7	69%	0.691	61%	0.607	S	S	*	*	H	α-helix	trans	-66.7	-32.7	175.2	-73.9	-179.2	178.1	155	1.1	113	V180 T187 G188	V180-R184 HydrophobicContact CG1-CG 4.44Å; V180-R184 WeakPolarHBondContact O-CB 3.41Å; V180-R184 WeakPolarHBondContact O-CG 3.34Å; V180-R184 PolarHBondContact O-N 2.9Å; R184-T187 PolarHBondContact O-OG1 3.12Å; R184-G188 PolarHBondContact O-N 3.15Å
185	K	64.5	Low	69	Low	171 Å²	171	121.5 Å²	121.5	74%	0.743	62%	0.623	S	S	*	*	H	α-helix	trans	-69	-38.2	175.3	-163.1	176.4	-178.5	-176.6	0	111.4	R181 M182 G183 A189	R181-K185 WeakPolarHBondContact O-CB 3.5Å; R181-K185 PolarHBondContact O-N 3.2Å; R181-K185 VanDerWaalsContact O-N 3.1Å; M182-K185 PolarHBondContact O-N 3.19Å; G183-K185 VanDerWaalsContact C-N 3.34Å; G183-K185 PolarHBondContact O-N 2.88Å; K185-A189 WeakPolarHBondContact O-CB 3.33Å; K185-A189 PolarHBondContact O-N 3.48Å; K185-A189 VanDerWaalsContact O-N 3.09Å
186	A	60.3	Low	66.8	Low	66 Å²	66	121.7 Å²	121.7	55%	0.545	64%	0.64	S	S	.	*	H	α-helix	trans	-68.1	-39.6	176.6	0	0	0	0	0	113	M182 G183	M182-A186 PolarHBondContact O-N 2.91Å; M182-A186 VanDerWaalsContact O-N 3.1Å; G183-A186 PolarHBondContact O-N 3.19Å
187	T	56.9	Low	64	Low	101 Å²	101	127 Å²	127	62%	0.62	66%	0.655	S	S	*	*	H	α-helix	trans	-78.4	-30.8	176.9	56.3	0	0	0	0	113.1	G183 R184 K190	G183-T187 PolarHBondContact O-N 3.19Å; G183-T187 VanDerWaalsContact O-N 3.11Å; G183-T187 PolarHBondContact O-OG1 3.01Å; R184-T187 PolarHBondContact O-OG1 3.12Å; T187-K190 PolarHBondContact O-N 3.26Å
188	G	54.3	Low	61.9	Low	47 Å²	47	133.1 Å²	133.1	49%	0.485	68%	0.678	S	S	.	*	H	α-helix	trans	-70.8	-32.5	174.4	0	0	0	0	0	114.2	R184 K190	R184-G188 PolarHBondContact O-N 3.15Å; G188-K190 VanDerWaalsContact C-N 3.29Å; G188-K190 PolarHBondContact O-N 3.06Å
189	A	53.1	Low	59.3	Low	73 Å²	73	137.7 Å²	137.7	60%	0.603	69%	0.694	S	S	*	*	H	α-helix	trans	-68.9	-27	174.2	0	0	0	0	0	112.8	K185 K191	K185-A189 WeakPolarHBondContact O-CB 3.33Å; K185-A189 PolarHBondContact O-N 3.48Å; K185-A189 VanDerWaalsContact O-N 3.09Å; A189-K191 VanDerWaalsContact C-N 3.34Å; A189-K191 PolarHBondContact O-N 3.48Å
190	K	45.2	Very low	57.4	Low	181 Å²	181	137.9 Å²	137.9	79%	0.787	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-17.3	-179.2	-144.9	170.7	-174	176.2	0	113.7	T187 G188	T187-K190 PolarHBondContact O-N 3.26Å; G188-K190 VanDerWaalsContact C-N 3.29Å; G188-K190 PolarHBondContact O-N 3.06Å
191	K	41.1	Very low	54.9	Low	193 Å²	193	140 Å²	140	84%	0.839	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-9.4	-178.2	-148.7	178	-175.5	-178.9	0	114.3	A189	A189-K191 VanDerWaalsContact C-N 3.34Å; A189-K191 PolarHBondContact O-N 3.48Å
192	R	42.5	Very low	52.6	Low	233 Å²	233	139.2 Å²	139.2	88%	0.879	73%	0.728	S	S	*	*	S	Bend	trans	-96.8	-5.8	-175.4	-152.4	172.4	179.2	159.3	-0.5	114.8
193	S	44.8	Very low	50.3	Low	111 Å²	111	141.5 Å²	141.5	78%	0.776	74%	0.737	S	S	*	*	S	Bend	trans	-97.8	11.6	-176.2	96.5	0	0	0	0	116.1
194	R	46.1	Very low	48.1	Very low	245 Å²	245	145.5 Å²	145.5	93%	0.925	75%	0.754	S	S	*	*	S	Bend	trans	-126.5	56.5	179.9	-150.5	-178.6	-170.8	177	3.3	112.3
195	S	47.9	Very low	46.7	Very low	121 Å²	121	141.5 Å²	141.5	85%	0.846	75%	0.754	S	S	*	*			trans	-149.7	105.1	167.3	177.9	0	0	0	0	109.1
196	G	48.9	Very low	45.5	Very low	78 Å²	78	140.9 Å²	140.9	80%	0.804	76%	0.759	S	S	*	*			trans	129.3	76.3	162.5	0	0	0	0	0	116.6
197	Y	38.2	Very low	44.3	Very low	214 Å²	214	144 Å²	144	84%	0.839	77%	0.766	S	S	*	*			trans	-156.3	112.4	141.3	-163.8	-103.6	0	0	0	110.1
198	K	49.4	Very low	43.5	Very low	210 Å²	210	145.5 Å²	145.5	91%	0.913	78%	0.775	S	S	*	*			trans	-110.8	121.9	162.4	-84.5	-169.2	177.8	-177.2	0	107.4
199	K	39.4	Very low	42.6	Very low	186 Å²	186	149.9 Å²	149.9	81%	0.809	79%	0.788	S	S	*	*			trans	-169.3	130.2	135.6	-159.1	160.3	-179.9	176.6	0	109.8
200	S	52.9	Low	41.7	Very low	107 Å²	107	153.7 Å²	153.7	75%	0.748	79%	0.793	S	S	*	*			trans	-84	156.8	179.6	-165.3	0	0	0	0	111.7
201	S	41	Very low	41.1	Very low	105 Å²	105	151.7 Å²	151.7	73%	0.734	79%	0.787	S	S	*	*				172.6	119.7	119.9	-83.4	0	0	0	0	112.9
202	I	40.4	Very low	40.7	Very low	141 Å²	141	149.5 Å²	149.5	72%	0.723	78%	0.784	S	S	*	*				73.9	127.3	127.2	-131.5	146.4	0	0	0	121.3
203	E	36.6	Very low	40.3	Very low	169 Å²	169	144.5 Å²	144.5	79%	0.79	78%	0.775	S	S	*	*			trans	65.8	142.9	154.6	-67.9	171.7	-174	0	0	118.4
204	V	33.8	Very low	40.4	Very low	120 Å²	120	146.5 Å²	146.5	73%	0.727	78%	0.777	S	S	*	*			cis	-163.8	152.8	4.8	129.6	0	0	0	0	107.2
205	S	42.2	Very low	40.4	Very low	100 Å²	100	141 Å²	141	70%	0.699	77%	0.766	S	S	*	*			trans	-9.6	138.2	170.7	54.2	0	0	0	0	121.2
206	D	39.7	Very low	40.2	Very low	158 Å²	158	140.9 Å²	140.9	85%	0.845	76%	0.764	S	S	*	*				-153	143.2	109.2	-154.9	-1.5	0	0	0	110.2
207	D	36.8	Very low	40.1	Very low	130 Å²	130	145.7 Å²	145.7	70%	0.695	77%	0.767	S	S	*	*			trans	-76.7	146.5	-168.9	-73	-66	0	0	0	113
208	T	39.3	Very low	40.7	Very low	133 Å²	133	139.2 Å²	139.2	82%	0.816	76%	0.758	S	S	*	*				162.3	104.1	117	38.3	0	0	0	0	112.1
209	D	35	Very low	40.9	Very low	140 Å²	140	140 Å²	140	75%	0.749	76%	0.755	S	S	*	*			trans	19.9	116.7	139.7	-55.8	-33.8	0	0	0	121.4
210	Q	34.9	Very low	41	Very low	152 Å²	152	138.9 Å²	138.9	71%	0.71	76%	0.757	S	S	*	*				85.9	127.6	113.7	-159.1	157.8	3.1	0	0	120.9
211	E	33.1	Very low	40.8	Very low	139 Å²	139	138.5 Å²	138.5	65%	0.65	75%	0.754	S	S	*	*			trans	84.7	104.1	151.5	-82.9	163.5	-159.4	0	0	120.7
212	D	31.9	Very low	41.4	Very low	147 Å²	147	140.1 Å²	140.1	79%	0.786	76%	0.759	S	S	*	*				88.1	120.8	116.4	-71.4	-1.5	0	0	0	122.1
213	N	34.5	Very low	41.9	Very low	128 Å²	128	144.5 Å²	144.5	68%	0.684	77%	0.766	S	S	*	*			trans	94.2	104.9	130.8	-147.7	22.1	0	0	0	119	D215	N213-D215 PolarHBondContact O-N 3.47Å
214	N	46.4	Very low	42.3	Very low	154 Å²	154	143.1 Å²	143.1	82%	0.824	77%	0.773	S	S	*	*			trans	39.6	45.8	131.8	-66	-33.3	0	0	0	120.2
215	D	46.2	Very low	43.1	Very low	129 Å²	129	141.9 Å²	141.9	69%	0.69	78%	0.776	S	S	*	*			trans	-120.3	73.6	171.1	-164	38.7	0	0	0	113	N213	N213-D215 PolarHBondContact O-N 3.47Å
216	C	42.9	Very low	43.1	Very low	119 Å²	119	146 Å²	146	80%	0.804	78%	0.784	S	S	*	*	S	Bend	trans	-155.2	35.4	157.3	-165.1	0	0	0	0	112.9
217	M	47.9	Very low	43.2	Very low	179 Å²	179	145.4 Å²	145.4	88%	0.882	79%	0.79	S	S	*	*	S	Bend	trans	-137.2	8.3	163.2	-74.5	-59	-69	0	0	113.1
218	A	51	Low	43.4	Very low	77 Å²	77	146.6 Å²	146.6	64%	0.636	80%	0.796	S	S	*	*	S	Bend	trans	-88.2	6.1	-177.7	0	0	0	0	0	115.1
219	R	52.8	Low	43.5	Very low	226 Å²	226	147.5 Å²	147.5	85%	0.853	80%	0.796	S	S	*	*	S	Bend	trans	-132.5	2.5	-168.7	-78.7	-157	172.1	-176.7	0.8	121.6
220	L	42.8	Very low	43.6	Very low	163 Å²	163	146.5 Å²	146.5	85%	0.853	80%	0.8	S	S	*	*	S	Bend	trans	-150.7	119.2	171	-83.5	140.5	0	0	0	108.6
221	C	46.8	Very low	44	Very low	100 Å²	100	146.3 Å²	146.3	68%	0.676	80%	0.804	S	S	*	*			cis	-170.5	120.6	-4.6	-110.9	0	0	0	0	101.8
222	V	55.3	Low	44.7	Very low	139 Å²	139	149.9 Å²	149.9	84%	0.842	81%	0.813	S	S	*	*				37.8	78.1	79.9	-172.1	0	0	0	0	111.2
223	R	49.7	Very low	45.4	Very low	232 Å²	232	151.3 Å²	151.3	88%	0.875	82%	0.815	S	S	*	*			trans	166.8	101.9	139.9	-96.2	177	174.8	159.4	-0.7	110.4
224	C	46.2	Very low	46	Very low	140 Å²	140	153.4 Å²	153.4	95%	0.946	82%	0.82	S	S	*	*			trans	176.2	64.6	136.2	-88	0	0	0	0	107.9
225	A	49.7	Very low	46.3	Very low	94 Å²	94	150.3 Å²	150.3	78%	0.777	82%	0.817	S	S	*	*			trans	-138.6	82.7	163.1	0	0	0	0	0	105.7
226	E	43.3	Very low	46.3	Very low	188 Å²	188	159 Å²	159	88%	0.879	84%	0.842	S	S	*	*			trans	170.5	103.9	157.1	-100.1	166.8	-173.7	0	0	108.7
227	C	41.1	Very low	46.5	Very low	144 Å²	144	161 Å²	161	97%	0.973	84%	0.844	S	S	*	*			trans	-158.9	67.1	151	-88.8	0	0	0	0	105.8
228	L	40.3	Very low	46.4	Very low	155 Å²	155	160 Å²	160	81%	0.812	84%	0.842	S	S	*	*			trans	-112.5	125.3	165.2	-111.6	159.5	0	0	0	105.8
229	D	41.8	Very low	46.1	Very low	152 Å²	152	164.6 Å²	164.6	81%	0.813	85%	0.853	S	S	*	*			trans	51.4	122.5	162.4	-69	-18.1	0	0	0	122.3
230	S	37.2	Very low	45.8	Very low	119 Å²	119	161 Å²	161	83%	0.832	85%	0.853	S	S	*	*				-161.9	116.3	123.7	67.1	0	0	0	0	111.5
231	D	43.9	Very low	45.9	Very low	149 Å²	149	160.9 Å²	160.9	80%	0.797	85%	0.853	S	S	*	*			trans	-75.2	162.3	162.9	-84.2	-37	0	0	0	112.2
232	Y	47	Very low	45.9	Very low	214 Å²	214	164.9 Å²	164.9	84%	0.839	87%	0.865	S	S	*	*			trans	80.5	112.1	163.3	-78.6	-86.4	0	0	0	120.7
233	E	47	Very low	45.2	Very low	177 Å²	177	166.8 Å²	166.8	83%	0.827	87%	0.866	S	S	*	*				-174.5	157.5	103.5	-103.5	-93	142.7	0	0	112.4
234	E	46.8	Very low	44.9	Very low	171 Å²	171	161.8 Å²	161.8	80%	0.799	87%	0.866	S	S	*	*			trans	-85.1	150.8	-165.3	-162.8	175.3	-157.1	0	0	112.5
235	A	53.4	Low	44.7	Very low	90 Å²	90	163.6 Å²	163.6	74%	0.744	86%	0.859	S	S	*	*			trans	-176.9	121.6	150.2	0	0	0	0	0	114.1
236	Y	45.5	Very low	44.3	Very low	310 Å²	310	169.9 Å²	169.9	100%	1.216	87%	0.866	S	S	*	*			trans	76.1	0	161.9	-81	-84.9	0	0	0	120.8

Retrieved 236 of 236 residues in 79.7 ms (Link to these results)

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