A0A060WC54_ONCMY Loading...

HIT domain-containing protein

AlphaFold DB , UniProt , Accession A0A060WC54, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 167 aa.

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(Predicted Aligned Error values between residue pairs)

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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	35.3	Very low	35	Very low	249 Å²	249	161.9 Å²	161.9	100%	1.227	83%	0.826	S	S	*	*				0	155	0	-73.5	169.3	168.7	0	0	108.7
2	N	33.4	Very low	35.1	Very low	147 Å²	147	163.3 Å²	163.3	79%	0.786	82%	0.823	S	S	*	*			trans	-78.8	165.1	176.9	-95.2	-45.8	0	0	0	112
3	F	27.7	Very low	35.2	Very low	202 Å²	202	169.8 Å²	169.8	89%	0.886	83%	0.832	S	S	*	*				-164.9	171	116.9	-115.5	-79.4	0	0	0	114.7
4	R	35.1	Very low	35.1	Very low	197 Å²	197	171.4 Å²	171.4	74%	0.743	83%	0.831	S	S	*	*			trans	-128.8	163.7	-171.5	-73.8	167	166.5	-120.6	12.4	108
5	Q	35.4	Very low	34.9	Very low	133 Å²	133	167.4 Å²	167.4	62%	0.621	83%	0.828	S	S	*	*			cis	-158.7	-160.9	-1.6	-120.5	166.8	-82.1	0	0	105.6
6	L	34	Very low	34.9	Very low	143 Å²	143	164.4 Å²	164.4	75%	0.749	82%	0.822	S	S	*	*			cis	-160.2	-167.5	7.1	-135.8	175.9	0	0	0	109
7	L	33	Very low	34.7	Very low	148 Å²	148	167.1 Å²	167.1	78%	0.775	82%	0.822	S	S	*	*			trans	-109.9	-176.8	157	-73.7	171.9	0	0	0	108.1
8	P	48.3	Very low	34.5	Very low	109 Å²	109	168.1 Å²	168.1	71%	0.708	82%	0.824	S	S	*	*			cis	-137.9	-166.2	4.8	44.6	-26.6	0	0	0	114.6
9	T	35.6	Very low	34.8	Very low	143 Å²	143	164.4 Å²	164.4	88%	0.877	82%	0.817	S	S	*	*			trans	-158.9	151.5	141	4	0	0	0	0	111.2
10	Q	36.2	Very low	35.1	Very low	181 Å²	181	168.1 Å²	168.1	85%	0.846	82%	0.821	S	S	*	*			trans	-107.6	162.1	172.2	-69.9	176.6	-30.8	0	0	110.1
11	C	31.4	Very low	35.5	Very low	129 Å²	129	167.3 Å²	167.3	87%	0.872	82%	0.819	S	S	*	*			trans	-137.5	139.5	166.4	-162	0	0	0	0	111.8
12	F	35.8	Very low	35.7	Very low	178 Å²	178	163.9 Å²	163.9	78%	0.781	80%	0.804	S	S	*	*			trans	-107.3	143.8	-175.4	-116.1	-94.9	0	0	0	110.5
13	R	37	Very low	36.1	Very low	249 Å²	249	167.7 Å²	167.7	94%	0.94	81%	0.808	S	S	*	*			trans	-160.5	171.8	150.1	-111.3	156.5	-160.5	-105.8	1.2	112.8
14	K	32.8	Very low	36.8	Very low	191 Å²	191	164.1 Å²	164.1	83%	0.83	81%	0.805	S	S	*	*			trans	-116.5	144.7	-149.7	-61.4	178.4	174.4	-179.6	0	114.9
15	S	32.5	Very low	37.3	Very low	112 Å²	112	159.3 Å²	159.3	78%	0.783	81%	0.807	S	S	*	*			trans	51.8	139.5	134.3	-76.7	0	0	0	0	124.7
16	V	35.2	Very low	37.1	Very low	120 Å²	120	158.8 Å²	158.8	73%	0.727	82%	0.817	S	S	*	*			trans	95.5	106.4	133.1	162	0	0	0	0	120.2
17	Y	30.5	Very low	37.5	Very low	210 Å²	210	162 Å²	162	82%	0.824	82%	0.819	S	S	*	*			trans	40.6	115.3	144.5	-65	-105.4	0	0	0	121.7
18	H	32.6	Very low	38.1	Very low	184 Å²	184	158.9 Å²	158.9	85%	0.852	82%	0.815	S	S	*	*				-144.2	151.7	122.2	-128.6	67.5	0	0	0	112.6
19	S	38.8	Very low	37.7	Very low	99 Å²	99	160.4 Å²	160.4	69%	0.692	81%	0.813	S	S	*	*			trans	-82.8	142.7	-176.9	50.4	0	0	0	0	112.3
20	R	40.5	Very low	38.1	Very low	238 Å²	238	164.7 Å²	164.7	90%	0.898	81%	0.813	S	S	*	*			trans	-159.7	105	164.3	-107.9	152.7	-158	-131	1.5	112.4
21	I	44.3	Very low	38.3	Very low	151 Å²	151	163.7 Å²	163.7	77%	0.774	81%	0.808	S	S	*	*			trans	31	111.2	142.9	-52.8	174.1	0	0	0	116.4	R23	I21-R23 PolarHBondContact O-N 2.61Å
22	L	40.1	Very low	38.8	Very low	177 Å²	177	162.9 Å²	162.9	93%	0.927	80%	0.799	S	S	*	*			trans	-54.8	125.5	165.5	-68	165.9	0	0	0	110.8
23	R	41.9	Very low	39	Very low	227 Å²	227	159.5 Å²	159.5	86%	0.857	80%	0.796	S	S	*	*			trans	-107.9	139.5	157.9	-70	-172.5	174.3	-146.9	-2.5	108	I21 A25	I21-R23 PolarHBondContact O-N 2.61Å; R23-A25 PolarHBondContact O-N 2.89Å
24	P	41	Very low	39.4	Very low	127 Å²	127	154.6 Å²	154.6	83%	0.825	79%	0.787	S	S	*	*			trans	-62.5	131.1	177	26.6	-33.5	0	0	0	109.4	C26	P24-C26 PolarHBondContact O-N 2.74Å
25	A	45.4	Very low	40.2	Very low	96 Å²	96	148.8 Å²	148.8	79%	0.793	77%	0.77	S	S	*	*			trans	-69.5	95.8	172.8	0	0	0	0	0	108.5	R23 R27	R23-A25 PolarHBondContact O-N 2.89Å; A25-R27 VanDerWaalsContact C-N 3.26Å; A25-R27 PolarHBondContact O-N 2.73Å
26	C	31.8	Very low	41	Very low	123 Å²	123	149.1 Å²	149.1	83%	0.831	76%	0.763	S	S	*	*			trans	-63.4	95.9	166.1	-173	0	0	0	0	107.2	P24 A28	P24-C26 PolarHBondContact O-N 2.74Å; C26-A28 PolarHBondContact O-N 2.88Å
27	R	42.9	Very low	41.9	Very low	209 Å²	209	147.6 Å²	147.6	79%	0.789	75%	0.754	S	S	*	*			trans	-71.7	82.6	178.8	-169.6	-171	-160.7	-152.4	9.7	107.1	A25 E29	A25-R27 VanDerWaalsContact C-N 3.26Å; A25-R27 PolarHBondContact O-N 2.73Å; R27-E29 VanDerWaalsContact C-N 3.3Å; R27-E29 PolarHBondContact O-N 2.68Å
28	A	45.5	Very low	43	Very low	83 Å²	83	145.4 Å²	145.4	69%	0.686	75%	0.749	S	S	*	*			trans	-57.6	99.1	170.8	0	0	0	0	0	107.6	C26 R30	C26-A28 PolarHBondContact O-N 2.88Å; A28-R30 PolarHBondContact O-N 2.73Å
29	E	40.8	Very low	44.3	Very low	142 Å²	142	141.9 Å²	141.9	66%	0.664	74%	0.736	S	S	*	*			trans	-64.3	109.9	176.2	-61.4	-161.3	137.9	0	0	106.3	R27 H31	R27-E29 VanDerWaalsContact C-N 3.3Å; R27-E29 PolarHBondContact O-N 2.68Å; E29-H31 PolarHBondContact O-N 3.3Å
30	R	42.8	Very low	46.4	Very low	232 Å²	232	139.1 Å²	139.1	88%	0.875	71%	0.714	S	S	*	*			trans	-67	87.7	168.4	-84.1	-177.2	-83.8	-170.2	-5.4	106.4	A28 V32	A28-R30 PolarHBondContact O-N 2.73Å; R30-V32 PolarHBondContact O-N 3.21Å
31	H	39.7	Very low	48.6	Very low	161 Å²	161	132.7 Å²	132.7	75%	0.745	69%	0.694	S	S	*	*			trans	-51.2	94.1	151.4	-99.5	-89	0	0	0	106.2	E29 C33	E29-H31 PolarHBondContact O-N 3.3Å; H31-C33 PolarHBondContact O-N 3.46Å
32	V	42.6	Very low	50.7	Low	112 Å²	112	126.2 Å²	126.2	68%	0.679	66%	0.661	S	S	*	*			trans	-67.4	96.8	163	-178.5	0	0	0	0	103.7	R30 I34	R30-V32 PolarHBondContact O-N 3.21Å; V32-I34 HydrophobicContact CG1-CG1 3.86Å; V32-I34 PolarHBondContact O-N 3.14Å
33	C	39.7	Very low	53.1	Low	106 Å²	106	123.6 Å²	123.6	72%	0.716	64%	0.639	S	S	*	*			trans	-66.6	83.1	173	-64.1	0	0	0	0	107.8	H31 S35	H31-C33 PolarHBondContact O-N 3.46Å; C33-S35 PolarHBondContact O-N 3.02Å
34	I	46.5	Very low	55.4	Low	147 Å²	147	117.6 Å²	117.6	75%	0.754	62%	0.624	S	S	*	*			trans	-70.9	75	162.9	-52.8	179.3	0	0	0	105.6	V32 N36	V32-I34 HydrophobicContact CG1-CG1 3.86Å; V32-I34 PolarHBondContact O-N 3.14Å; I34-N36 PolarHBondContact O-N 3.48Å
35	S	48.2	Very low	57.7	Low	68 Å²	68	112 Å²	112	48%	0.476	59%	0.588	S	S	.	*			trans	-59.9	131.5	166.7	42.7	0	0	0	0	107.4	C33 T37	C33-S35 PolarHBondContact O-N 3.02Å; S35-T37 PolarHBondContact O-N 2.9Å
36	N	49.2	Very low	59.8	Low	119 Å²	119	109.1 Å²	109.1	64%	0.636	56%	0.558	S	S	*	*			trans	-86.5	66.5	-176.4	-148.2	-1.6	0	0	0	107.7	I34 K38 N39	I34-N36 PolarHBondContact O-N 3.48Å; N36-K38 PolarHBondContact O-N 3.29Å; N36-N39 PolarHBondContact O-N 3.03Å
37	T	55	Low	62.6	Low	88 Å²	88	107.7 Å²	107.7	54%	0.54	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-36.6	-150.8	53.3	0	0	0	0	115.5	S35 N39 D40	S35-T37 PolarHBondContact O-N 2.9Å; T37-N39 PolarHBondContact O-N 2.95Å; T37-D40 PolarHBondContact O-N 3.31Å; T37-D40 VanDerWaalsContact O-N 3.11Å
38	K	53.6	Low	64.7	Low	164 Å²	164	99.8 Å²	99.8	71%	0.713	52%	0.518	S	S	*	.	H	α-helix	trans	-61	-27.9	178.5	-63.6	-168.1	173.6	-165.6	0	114.2	N36	N36-K38 PolarHBondContact O-N 3.29Å
39	N	60.4	Low	66.8	Low	110 Å²	110	97.1 Å²	97.1	59%	0.588	50%	0.495	S	S	*	.	H	α-helix	trans	-84.6	-16.7	178.1	-70.6	-20.3	0	0	0	113	N36 T37	N36-N39 PolarHBondContact O-N 3.03Å; T37-N39 PolarHBondContact O-N 2.95Å
40	D	82.3	Confident	69	Low	41 Å²	41	97.8 Å²	97.8	22%	0.219	50%	0.496	C	S	.	.	H	α-helix	trans	-76.7	-39	-176.4	-70.3	-49.3	0	0	0	111.6	T37 R43 L44	T37-D40 PolarHBondContact O-N 3.31Å; T37-D40 VanDerWaalsContact O-N 3.11Å; D40-R43 PolarHBondContact O-N 3.17Å; D40-R43 IonicContact OD1-CZ 2.58Å; D40-R43 IonicContact OD1-NE 3.44Å; D40-R43 IonicContact OD1-NH2 3.65Å; D40-R43 PolarHBondContact OD1-NH2 3.28Å; D40-L44 WeakPolarHBondContact O-CB 3.23Å; D40-L44 WeakPolarHBondContact O-CG 3.47Å; D40-L44 PolarHBondContact O-N 3.49Å
41	E	86.8	Confident	71.2	Confident	104 Å²	104	93.9 Å²	93.9	49%	0.486	49%	0.485	S	S	.	.	H	α-helix	trans	-60.4	-48.8	-180	-64.6	-178.9	-167.5	0	0	113	R43 L44 A45	E41-R43 VanDerWaalsContact C-N 3.29Å; E41-R43 PolarHBondContact O-N 3.48Å; E41-L44 PolarHBondContact O-N 3.26Å; E41-A45 PolarHBondContact O-N 2.95Å
42	V	89.3	Confident	73.3	Confident	15 Å²	15	93.4 Å²	93.4	9%	0.091	48%	0.478	C	S	.	.	H	α-helix	trans	-62.3	-38.9	179.2	-175	0	0	0	0	111.1	A45 E46 K143 A146	V42-A45 PolarHBondContact O-N 3.29Å; V42-E46 PolarHBondContact O-N 2.96Å; V42-K143 HydrophobicContact CG1-CB 4.4Å; V42-K143 HydrophobicContact CG1-CG 4.18Å; V42-A146 HydrophobicContact CG2-CB 4.01Å
43	R	90.2	Very high	75.1	Confident	122 Å²	122	89.8 Å²	89.8	46%	0.46	46%	0.463	S	S	.	.	H	α-helix	trans	-66.7	-42.6	175.2	174.6	167.6	64.8	108.4	-7.1	111.8	D40 E41 A45 E46 E47	D40-R43 PolarHBondContact O-N 3.17Å; D40-R43 IonicContact OD1-CZ 2.58Å; D40-R43 IonicContact OD1-NE 3.44Å; D40-R43 IonicContact OD1-NH2 3.65Å; D40-R43 PolarHBondContact OD1-NH2 3.28Å; E41-R43 VanDerWaalsContact C-N 3.29Å; E41-R43 PolarHBondContact O-N 3.48Å; R43-A45 VanDerWaalsContact C-N 3.28Å; R43-A45 PolarHBondContact O-N 3.23Å; R43-E46 PolarHBondContact O-N 3.18Å; R43-E47 WeakPolarHBondContact CD-OE1 3.5Å; R43-E47 HydrophobicContact CG-CG 4.34Å; R43-E47 WeakPolarHBondContact CG-OE1 3.35Å; R43-E47 IonicContact NH1-OE1 3.88Å; R43-E47 WeakPolarHBondContact O-CB 3.43Å; R43-E47 WeakPolarHBondContact O-CG 3.36Å; R43-E47 PolarHBondContact O-N 3.31Å
44	L	90.6	Very high	76.8	Confident	101 Å²	101	87.7 Å²	87.7	53%	0.529	45%	0.45	S	S	.	.	H	α-helix	trans	-63.2	-34.5	175.9	-71.5	166	0	0	0	111.8	D40 E41 A48	D40-L44 WeakPolarHBondContact O-CB 3.23Å; D40-L44 WeakPolarHBondContact O-CG 3.47Å; D40-L44 PolarHBondContact O-N 3.49Å; E41-L44 PolarHBondContact O-N 3.26Å; L44-A48 WeakPolarHBondContact O-CB 3.47Å; L44-A48 PolarHBondContact O-N 2.86Å
45	A	88.3	Confident	78	Confident	9 Å²	9	85 Å²	85	7%	0.074	44%	0.442	C	S	.	.	H	α-helix	trans	-65.5	-47.2	171.9	0	0	0	0	0	112.2	E41 V42 R43 E47 A48 S49 Y150	E41-A45 PolarHBondContact O-N 2.95Å; V42-A45 PolarHBondContact O-N 3.29Å; R43-A45 VanDerWaalsContact C-N 3.28Å; R43-A45 PolarHBondContact O-N 3.23Å; A45-E47 VanDerWaalsContact C-N 3.34Å; A45-E47 PolarHBondContact O-N 3.37Å; A45-A48 PolarHBondContact O-N 2.93Å; A45-S49 WeakPolarHBondContact O-CB 3.49Å; A45-S49 PolarHBondContact O-N 3.27Å; A45-Y150 HydrophobicContact CB-CD1 3.83Å; A45-Y150 HydrophobicContact CB-CE1 3.79Å
46	E	90.1	Very high	79.6	Confident	36 Å²	36	82.7 Å²	82.7	17%	0.168	43%	0.427	C	S	.	.	H	α-helix	trans	-57.6	-44.2	173.2	-73.1	-164.7	99.3	0	0	112.2	V42 R43 K50 K143 Y150	V42-E46 PolarHBondContact O-N 2.96Å; R43-E46 PolarHBondContact O-N 3.18Å; E46-K50 WeakPolarHBondContact O-CB 3.22Å; E46-K50 VanDerWaalsContact O-CD 3.23Å; E46-K50 WeakPolarHBondContact O-CD 3.42Å; E46-K50 WeakPolarHBondContact O-CG 3.43Å; E46-K50 PolarHBondContact O-N 3.27Å; E46-K50 IonicContact OE1-NZ 3.18Å; E46-K143 IonicContact OE1-NZ 3.62Å; E46-K143 IonicContact OE2-NZ 3.77Å; E46-K143 PolarHBondContact OE2-NZ 3.02Å; E46-Y150 WeakPolarHBondContact CG-OH 3.46Å
47	E	90.4	Very high	81.5	Confident	92 Å²	92	82.7 Å²	82.7	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-70.2	-40.6	-179.1	-72.9	173.1	-166.8	0	0	112.1	R43 A45 K50 K51	R43-E47 WeakPolarHBondContact CD-OE1 3.5Å; R43-E47 HydrophobicContact CG-CG 4.34Å; R43-E47 WeakPolarHBondContact CG-OE1 3.35Å; R43-E47 IonicContact NH1-OE1 3.88Å; R43-E47 WeakPolarHBondContact O-CB 3.43Å; R43-E47 WeakPolarHBondContact O-CG 3.36Å; R43-E47 PolarHBondContact O-N 3.31Å; A45-E47 VanDerWaalsContact C-N 3.34Å; A45-E47 PolarHBondContact O-N 3.37Å; E47-K50 PolarHBondContact O-N 3.31Å; E47-K51 WeakPolarHBondContact O-CB 3.41Å; E47-K51 PolarHBondContact O-N 2.6Å; E47-K51 VanDerWaalsContact O-N 3.09Å
48	A	87.4	Confident	83.3	Confident	43 Å²	43	79.8 Å²	79.8	36%	0.355	42%	0.415	S	S	.	.	H	α-helix	trans	-64.9	-45.1	176.9	0	0	0	0	0	112.2	L44 A45 K51 Y52	L44-A48 WeakPolarHBondContact O-CB 3.47Å; L44-A48 PolarHBondContact O-N 2.86Å; A45-A48 PolarHBondContact O-N 2.93Å; A48-K51 PolarHBondContact O-N 3.23Å; A48-K51 VanDerWaalsContact O-N 3.13Å; A48-Y52 HydrophobicContact CB-CD2 4.45Å; A48-Y52 VanDerWaalsContact O-CD2 3.3Å; A48-Y52 WeakPolarHBondContact O-CD2 3.41Å; A48-Y52 PolarHBondContact O-N 2.74Å
49	S	88.3	Confident	85.3	Confident	28 Å²	28	75.7 Å²	75.7	20%	0.196	40%	0.401	C	S	.	.	H	α-helix	trans	-62.4	-43.1	177	178.3	0	0	0	0	111.9	A45 K51 G53 Y150	A45-S49 WeakPolarHBondContact O-CB 3.49Å; A45-S49 PolarHBondContact O-N 3.27Å; S49-K51 PolarHBondContact O-N 3.26Å; S49-G53 WeakPolarHBondContact O-CA 3.28Å; S49-G53 PolarHBondContact O-N 3.34Å; S49-Y150 VanDerWaalsContact CB-CD2 3.47Å
50	K	88.2	Confident	87	Confident	155 Å²	155	71.2 Å²	71.2	67%	0.674	38%	0.376	S	S	*	.	H	α-helix	trans	-62.1	-28.9	174.2	-71.4	163	-166.7	163.7	0	113.2	E46 E47	E46-K50 WeakPolarHBondContact O-CB 3.22Å; E46-K50 VanDerWaalsContact O-CD 3.23Å; E46-K50 WeakPolarHBondContact O-CD 3.42Å; E46-K50 WeakPolarHBondContact O-CG 3.43Å; E46-K50 PolarHBondContact O-N 3.27Å; E46-K50 IonicContact OE1-NZ 3.18Å; E47-K50 PolarHBondContact O-N 3.31Å
51	K	87.9	Confident	87.6	Confident	150 Å²	150	70.1 Å²	70.1	65%	0.652	37%	0.371	S	S	*	.	H	α-helix	trans	-85.6	-38.6	-177.8	-174.1	-178.4	174.8	-162.8	0	113.7	E47 A48 S49	E47-K51 WeakPolarHBondContact O-CB 3.41Å; E47-K51 PolarHBondContact O-N 2.6Å; E47-K51 VanDerWaalsContact O-N 3.09Å; A48-K51 PolarHBondContact O-N 3.23Å; A48-K51 VanDerWaalsContact O-N 3.13Å; S49-K51 PolarHBondContact O-N 3.26Å
52	Y	84.4	Confident	88	Confident	151 Å²	151	70.9 Å²	70.9	59%	0.592	37%	0.37	S	S	*	.	H	α-helix	trans	-111.6	-9.7	-171.1	-56.3	-63.2	0	0	0	114.4	A48	A48-Y52 HydrophobicContact CB-CD2 4.45Å; A48-Y52 VanDerWaalsContact O-CD2 3.3Å; A48-Y52 WeakPolarHBondContact O-CD2 3.41Å; A48-Y52 PolarHBondContact O-N 2.74Å
53	G	80.8	Confident	88.4	Confident	37 Å²	37	70.5 Å²	70.5	38%	0.381	37%	0.368	S	S	.	.			trans	92.5	-164.1	179.6	0	0	0	0	0	113.9	S49 A56	S49-G53 WeakPolarHBondContact O-CA 3.28Å; S49-G53 PolarHBondContact O-N 3.34Å; G53-A56 WeakPolarHBondContact O-CB 3.13Å
54	S	74.3	Confident	88.7	Confident	62 Å²	62	65.6 Å²	65.6	43%	0.434	35%	0.35	S	S	.	.	S	Bend	trans	-150	124.9	-178.8	-142.5	0	0	0	0	109.4	P102 E106	S54-P102 WeakPolarHBondContact OG-CB 3.45Å; S54-P102 WeakPolarHBondContact OG-CG 3.14Å; S54-E106 PolarHBondContact OG-OE2 3.07Å
55	P	73.3	Confident	88.9	Confident	91 Å²	91	66 Å²	66	59%	0.591	35%	0.353	S	S	*	.	S	Bend	cis	-71.4	140.3	-10	32	-34.7	0	0	0	111.5	P100	P55-P100 HydrophobicContact CB-CB 4.05Å; P55-P100 HydrophobicContact CB-CG 3.84Å; P55-P100 WeakPolarHBondContact CB-O 3.4Å; P55-P100 HydrophobicContact CG-CG 4.37Å
56	A	80.9	Confident	89.3	Confident	19 Å²	19	70.1 Å²	70.1	16%	0.157	37%	0.369	C	S	.	.			trans	-128.8	148.8	173.7	0	0	0	0	0	110	G53 T58	G53-A56 WeakPolarHBondContact O-CB 3.13Å; A56-T58 WeakPolarHBondContact O-CG2 3.46Å; A56-T58 PolarHBondContact O-N 3.3Å
57	P	88.6	Confident	89.6	Confident	118 Å²	118	72.3 Å²	72.3	77%	0.766	39%	0.385	S	S	*	.			trans	-59.2	127.3	-178.9	-25.2	34.9	0	0	0	112.6
58	T	94.2	Very high	89.8	Confident	27 Å²	27	69.9 Å²	69.9	17%	0.166	38%	0.375	C	S	.	.			trans	-106.9	179.7	-178.4	72	0	0	0	0	111.9	A56 F60 S61 R62 V149 Y150 H151	A56-T58 WeakPolarHBondContact O-CG2 3.46Å; A56-T58 PolarHBondContact O-N 3.3Å; T58-F60 PolarHBondContact O-N 2.79Å; T58-F60 PolarHBondContact OG1-N 2.93Å; T58-S61 PolarHBondContact N-OG 2.98Å; T58-S61 WeakPolarHBondContact O-CB 3.22Å; T58-S61 PolarHBondContact O-N 2.78Å; T58-S61 PolarHBondContact OG1-N 3.03Å; T58-S61 PolarHBondContact OG1-OG 2.87Å; T58-R62 PolarHBondContact O-N 2.89Å; T58-V149 HydrophobicContact CG2-CG1 4.39Å; T58-Y150 WeakPolarHBondContact CG2-O 3.49Å; T58-H151 HydrophobicContact CG2-CB 3.97Å
59	I	94.4	Very high	90.2	Very high	79 Å²	79	74.1 Å²	74.1	41%	0.405	40%	0.398	S	S	.	.	H	α-helix	trans	-61.8	-25.2	168.5	-163.6	66.5	0	0	0	112.2	R62 V63 I68 V149	I59-R62 WeakPolarHBondContact O-CB 3.42Å; I59-R62 PolarHBondContact O-N 2.75Å; I59-V63 WeakPolarHBondContact O-CG2 3.46Å; I59-V63 PolarHBondContact O-N 3.31Å; I59-I68 HydrophobicContact CD1-CD1 3.5Å; I59-I68 HydrophobicContact CG1-CD1 3.86Å; I59-V149 HydrophobicContact CG2-CG1 4Å; I59-V149 HydrophobicContact CG2-CG2 3.8Å
60	F	96.3	Very high	90.6	Very high	16 Å²	16	74.6 Å²	74.6	7%	0.07	40%	0.404	C	S	.	.	H	α-helix	trans	-80.1	-33.9	175.4	-64	-11.7	0	0	0	112.6	T58 R62 V63 I64 F82 L94 I96 V149 H151 H153	T58-F60 PolarHBondContact O-N 2.79Å; T58-F60 PolarHBondContact OG1-N 2.93Å; F60-R62 PolarHBondContact O-N 2.83Å; F60-V63 WeakPolarHBondContact O-CA 3.5Å; F60-V63 WeakPolarHBondContact O-CB 3.16Å; F60-V63 PolarHBondContact O-N 3.29Å; F60-I64 WeakPolarHBondContact O-CG1 3.49Å; F60-I64 PolarHBondContact O-N 3.28Å; F60-F82 AromaticContact CD1-CZ 3.84Å; F60-F82 HydrophobicContact CD1-CZ 3.84Å; F60-F82 AromaticContact CE1-CZ 3.84Å; F60-F82 HydrophobicContact CE1-CZ 3.84Å; F60-F82 HydrophobicContact CG-CZ 4.48Å; F60-F82 HydrophobicContact CZ-CZ 4.47Å; F60-L94 HydrophobicContact CE1-CD1 4.02Å; F60-L94 HydrophobicContact CE2-CD1 4.31Å; F60-L94 HydrophobicContact CZ-CD1 3.58Å; F60-I96 HydrophobicContact CB-CD1 3.86Å; F60-I96 HydrophobicContact CD2-CG2 3.89Å; F60-I96 HydrophobicContact CE2-CG2 4.21Å; F60-I96 HydrophobicContact CG-CD1 4.33Å; F60-V149 HydrophobicContact CD1-CG1 4.34Å; F60-V149 HydrophobicContact CD2-CB 4.27Å; F60-V149 HydrophobicContact CD2-CG1 3.77Å; F60-V149 HydrophobicContact CE1-CB 4.39Å; F60-V149 HydrophobicContact CE1-CG1 4.35Å; F60-V149 HydrophobicContact CE1-CG2 3.97Å; F60-V149 HydrophobicContact CE2-CB 3.73Å; F60-V149 HydrophobicContact CE2-CG1 3.76Å; F60-V149 HydrophobicContact CE2-CG2 4.16Å; F60-V149 HydrophobicContact CG-CG1 4.04Å; F60-V149 HydrophobicContact CZ-CB 3.79Å; F60-V149 HydrophobicContact CZ-CG1 4.06Å; F60-V149 HydrophobicContact CZ-CG2 3.68Å; F60-H151 HydrophobicContact CB-CB 4.25Å; F60-H151 HydrophobicContact CD2-CB 3.86Å; F60-H151 HydrophobicContact CG-CB 4.49Å; F60-H153 HydrophobicContact CE2-CB 3.86Å; F60-H153 AromaticContact CE2-CG 3.82Å; F60-H153 AromaticContact CE2-ND1 3.66Å
61	S	95.3	Very high	91.1	Very high	17 Å²	17	71.6 Å²	71.6	12%	0.119	40%	0.395	C	S	.	.	H	α-helix	trans	-54.3	-43.5	166.7	-44.9	0	0	0	0	110.4	T58 V63 I64 D65	T58-S61 PolarHBondContact N-OG 2.98Å; T58-S61 WeakPolarHBondContact O-CB 3.22Å; T58-S61 PolarHBondContact O-N 2.78Å; T58-S61 PolarHBondContact OG1-N 3.03Å; T58-S61 PolarHBondContact OG1-OG 2.87Å; S61-V63 VanDerWaalsContact C-N 3.29Å; S61-V63 PolarHBondContact O-N 2.81Å; S61-I64 PolarHBondContact O-N 2.95Å; S61-I64 VanDerWaalsContact O-N 3.17Å; S61-D65 WeakPolarHBondContact O-CB 3.39Å; S61-D65 PolarHBondContact O-N 3.06Å
62	R	95.6	Very high	91.6	Very high	120 Å²	120	67.2 Å²	67.2	45%	0.453	38%	0.379	S	S	.	.	H	α-helix	trans	-63.9	-26.5	175.9	-68.8	-172.2	66.5	-165.1	0.8	114.9	T58 I59 F60 K66 T67 I68	T58-R62 PolarHBondContact O-N 2.89Å; I59-R62 WeakPolarHBondContact O-CB 3.42Å; I59-R62 PolarHBondContact O-N 2.75Å; F60-R62 PolarHBondContact O-N 2.83Å; R62-K66 PolarHBondContact O-N 3.18Å; R62-T67 WeakPolarHBondContact CA-OG1 3.16Å; R62-T67 VanDerWaalsContact CB-OG1 3.22Å; R62-T67 WeakPolarHBondContact CB-OG1 3.4Å; R62-T67 WeakPolarHBondContact CG-OG1 3.25Å; R62-T67 PolarHBondContact NE-OG1 3.09Å; R62-T67 PolarHBondContact O-N 3.39Å; R62-T67 PolarHBondContact O-OG1 2.91Å; R62-I68 HydrophobicContact CB-CD1 4.01Å; R62-I68 HydrophobicContact CB-CG1 4.09Å; R62-I68 VanDerWaalsContact CZ-CG2 3.49Å; R62-I68 PolarHBondContact O-N 3Å
63	V	96.7	Very high	92.3	Very high	8 Å²	8	61.6 Å²	61.6	5%	0.048	36%	0.359	C	S	.	.	H	α-helix	trans	-76.7	-43.3	171.8	173.7	0	0	0	0	111	I59 F60 S61 D65 K66 I68 A70 L80 F82	I59-V63 WeakPolarHBondContact O-CG2 3.46Å; I59-V63 PolarHBondContact O-N 3.31Å; F60-V63 WeakPolarHBondContact O-CA 3.5Å; F60-V63 WeakPolarHBondContact O-CB 3.16Å; F60-V63 PolarHBondContact O-N 3.29Å; S61-V63 VanDerWaalsContact C-N 3.29Å; S61-V63 PolarHBondContact O-N 2.81Å; V63-D65 VanDerWaalsContact C-N 3.33Å; V63-D65 PolarHBondContact O-N 3.06Å; V63-K66 PolarHBondContact O-N 3.48Å; V63-K66 VanDerWaalsContact O-N 3.14Å; V63-I68 HydrophobicContact CG2-CD1 3.91Å; V63-I68 HydrophobicContact CG2-CG1 3.93Å; V63-A70 HydrophobicContact CG1-CB 3.75Å; V63-A70 HydrophobicContact CG2-CB 4.38Å; V63-L80 HydrophobicContact CG1-CD2 4.07Å; V63-F82 HydrophobicContact CG1-CD1 4.33Å; V63-F82 HydrophobicContact CG1-CD2 4.42Å; V63-F82 HydrophobicContact CG1-CE1 4.4Å; V63-F82 HydrophobicContact CG1-CE2 4.49Å; V63-F82 HydrophobicContact CG1-CG 4.33Å; V63-F82 HydrophobicContact CG1-CZ 4.46Å; V63-F82 HydrophobicContact CG2-CE2 4.37Å; V63-F82 HydrophobicContact CG2-CZ 4.48Å
64	I	96.3	Very high	93.1	Very high	19 Å²	19	62.7 Å²	62.7	10%	0.097	35%	0.352	C	S	.	.	H	α-helix	trans	-58.3	-48.1	176.2	-67.8	160.1	0	0	0	109.8	F60 S61 K66 I96 R98	F60-I64 WeakPolarHBondContact O-CG1 3.49Å; F60-I64 PolarHBondContact O-N 3.28Å; S61-I64 PolarHBondContact O-N 2.95Å; S61-I64 VanDerWaalsContact O-N 3.17Å; I64-K66 VanDerWaalsContact O-CE 3.23Å; I64-K66 WeakPolarHBondContact O-CE 3.46Å; I64-K66 PolarHBondContact O-N 3.31Å; I64-I96 HydrophobicContact CD1-CD1 3.88Å; I64-I96 HydrophobicContact CG1-CD1 3.82Å; I64-R98 HydrophobicContact CG2-CG 4.48Å
65	D	96.3	Very high	94.3	Very high	109 Å²	109	63.5 Å²	63.5	58%	0.583	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	1.8	179.6	-59.2	-24.5	0	0	0	114	S61 V63 T67	S61-D65 WeakPolarHBondContact O-CB 3.39Å; S61-D65 PolarHBondContact O-N 3.06Å; V63-D65 VanDerWaalsContact C-N 3.33Å; V63-D65 PolarHBondContact O-N 3.06Å; D65-T67 HydrophobicContact CB-CG2 3.85Å; D65-T67 PolarHBondContact O-N 3.13Å
66	K	95.9	Very high	95.5	Very high	95 Å²	95	60.4 Å²	60.4	41%	0.413	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	13.4	-176.1	-38.2	-58.9	166.8	-172	0	115.5	R62 V63 I64 I68 I72 E75 L80	R62-K66 PolarHBondContact O-N 3.18Å; V63-K66 PolarHBondContact O-N 3.48Å; V63-K66 VanDerWaalsContact O-N 3.14Å; I64-K66 VanDerWaalsContact O-CE 3.23Å; I64-K66 WeakPolarHBondContact O-CE 3.46Å; I64-K66 PolarHBondContact O-N 3.31Å; K66-I68 PolarHBondContact O-N 3.28Å; K66-I72 HydrophobicContact CD-CD1 4.07Å; K66-E75 WeakPolarHBondContact CE-OE1 3.14Å; K66-E75 IonicContact NZ-OE1 2.8Å; K66-E75 PolarHBondContact NZ-OE1 3.47Å; K66-E75 IonicContact NZ-OE2 3.61Å; K66-E75 PolarHBondContact NZ-OE2 3.33Å; K66-L80 VanDerWaalsContact NZ-CD1 3.26Å
67	T	96.4	Very high	96.3	Very high	82 Å²	82	65.5 Å²	65.5	50%	0.503	35%	0.352	S	S	.	.	S	Bend	trans	-70.4	-11.6	179.6	70.3	0	0	0	0	113.8	R62 D65	R62-T67 WeakPolarHBondContact CA-OG1 3.16Å; R62-T67 VanDerWaalsContact CB-OG1 3.22Å; R62-T67 WeakPolarHBondContact CB-OG1 3.4Å; R62-T67 WeakPolarHBondContact CG-OG1 3.25Å; R62-T67 PolarHBondContact NE-OG1 3.09Å; R62-T67 PolarHBondContact O-N 3.39Å; R62-T67 PolarHBondContact O-OG1 2.91Å; D65-T67 HydrophobicContact CB-CG2 3.85Å; D65-T67 PolarHBondContact O-N 3.13Å
68	I	95.2	Very high	96.8	Very high	41 Å²	41	63 Å²	63	21%	0.21	33%	0.329	C	S	.	.	S	Bend	trans	-132.9	147.6	164.9	61.9	-176.7	0	0	0	109.4	I59 R62 V63 K66	I59-I68 HydrophobicContact CD1-CD1 3.5Å; I59-I68 HydrophobicContact CG1-CD1 3.86Å; R62-I68 HydrophobicContact CB-CD1 4.01Å; R62-I68 HydrophobicContact CB-CG1 4.09Å; R62-I68 VanDerWaalsContact CZ-CG2 3.49Å; R62-I68 PolarHBondContact O-N 3Å; V63-I68 HydrophobicContact CG2-CD1 3.91Å; V63-I68 HydrophobicContact CG2-CG1 3.93Å; K66-I68 PolarHBondContact O-N 3.28Å
69	P	95.1	Very high	97	Very high	132 Å²	132	61.7 Å²	61.7	86%	0.857	32%	0.321	S	S	*	.			trans	-70.5	143.4	176.6	29.9	-35.2	0	0	0	111.5
70	A	97.1	Very high	97.2	Very high	38 Å²	38	57.9 Å²	57.9	31%	0.314	30%	0.301	S	S	.	.			trans	-145.9	151.4	168.6	0	0	0	0	0	108.9	V63 I72 F82	V63-A70 HydrophobicContact CG1-CB 3.75Å; V63-A70 HydrophobicContact CG2-CB 4.38Å; A70-I72 HydrophobicContact CB-CG1 4.36Å; A70-I72 PolarHBondContact O-N 3.21Å; A70-I72 VanDerWaalsContact O-N 3.14Å; A70-F82 HydrophobicContact CB-CB 4.24Å; A70-F82 HydrophobicContact CB-CD2 3.93Å; A70-F82 HydrophobicContact CB-CG 4.35Å
71	D	98	Very high	97.3	Very high	92 Å²	92	57.1 Å²	57.1	49%	0.492	30%	0.298	S	S	.	.			trans	-80.9	92.2	172.8	-175.6	16.5	0	0	0	109.5	F82 R83	D71-F82 CarbonylContact O-C 3.55Å; D71-F82 WeakPolarHBondContact O-CA 3.47Å; D71-F82 WeakPolarHBondContact O-CB 3.49Å; D71-R83 HydrophobicContact CB-CB 4.26Å; D71-R83 HydrophobicContact CB-CG 4.15Å; D71-R83 PolarHBondContact O-N 3.29Å; D71-R83 WeakPolarHBondContact OD2-CD 3.48Å; D71-R83 IonicContact OD2-CZ 2.74Å; D71-R83 IonicContact OD2-NE 3.34Å; D71-R83 PolarHBondContact OD2-NE 3.38Å
72	I	98.4	Very high	97.4	Very high	58 Å²	58	57 Å²	57	30%	0.297	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	116.1	-174.7	-61.8	159.8	0	0	0	109.3	K66 A70 E75 L80 F82	K66-I72 HydrophobicContact CD-CD1 4.07Å; A70-I72 HydrophobicContact CB-CG1 4.36Å; A70-I72 PolarHBondContact O-N 3.21Å; A70-I72 VanDerWaalsContact O-N 3.14Å; I72-E75 HydrophobicContact CG2-CB 4.18Å; I72-L80 HydrophobicContact CD1-CD1 4.36Å; I72-L80 HydrophobicContact CG1-CD1 4.49Å; I72-L80 HydrophobicContact CG1-CD2 4.38Å; I72-L80 HydrophobicContact CG2-CG 4.23Å; I72-F82 HydrophobicContact CG1-CB 4.39Å
73	I	98.6	Very high	97.6	Very high	34 Å²	34	55.5 Å²	55.5	17%	0.174	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-11.5	-175.6	62.2	178.7	0	0	0	113	A81 R83 F93 V125 E129	I73-A81 HydrophobicContact CG1-CB 4.15Å; I73-A81 PolarHBondContact N-O 2.9Å; I73-R83 HydrophobicContact CG2-CG 4.18Å; I73-F93 HydrophobicContact CD1-CB 3.64Å; I73-F93 HydrophobicContact CD1-CD1 3.98Å; I73-F93 HydrophobicContact CD1-CD2 4.02Å; I73-F93 HydrophobicContact CD1-CG 3.64Å; I73-V125 HydrophobicContact CD1-CG1 3.45Å; I73-V125 VanDerWaalsContact CD1-CG1 3.45Å; I73-V125 HydrophobicContact CG1-CG1 3.88Å; I73-E129 HydrophobicContact CD1-CG 4.38Å
74	Y	98.8	Very high	97.7	Very high	59 Å²	59	56.5 Å²	56.5	23%	0.231	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	147	170.4	-179.9	-90.6	0	0	0	111	D76 A81 V121 V125	Y74-D76 HydrophobicContact CE1-CB 4.06Å; Y74-D76 WeakPolarHBondContact CE1-OD2 3.3Å; Y74-D76 VanDerWaalsContact CZ-OD2 3.25Å; Y74-D76 PolarHBondContact OH-OD2 3.03Å; Y74-A81 PolarHBondContact N-O 2.99Å; Y74-A81 PolarHBondContact O-N 3.36Å; Y74-V121 HydrophobicContact CD1-CG1 3.4Å; Y74-V121 VanDerWaalsContact CD1-CG1 3.4Å; Y74-V121 HydrophobicContact CD1-CG2 4.46Å; Y74-V121 HydrophobicContact CE1-CB 4.24Å; Y74-V121 HydrophobicContact CE1-CG1 3.47Å; Y74-V121 VanDerWaalsContact CE1-CG1 3.47Å; Y74-V121 HydrophobicContact CE1-CG2 3.66Å; Y74-V121 HydrophobicContact CG-CG1 4.04Å; Y74-V125 HydrophobicContact CD2-CG2 4.31Å; Y74-V125 HydrophobicContact CG-CG2 4Å
75	E	98.5	Very high	97.7	Very high	79 Å²	79	63.4 Å²	63.4	37%	0.369	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	134.7	175.8	-176.1	161	-167.7	0	0	110.3	K66 I72 L80 R98	K66-E75 WeakPolarHBondContact CE-OE1 3.14Å; K66-E75 IonicContact NZ-OE1 2.8Å; K66-E75 PolarHBondContact NZ-OE1 3.47Å; K66-E75 IonicContact NZ-OE2 3.61Å; K66-E75 PolarHBondContact NZ-OE2 3.33Å; I72-E75 HydrophobicContact CG2-CB 4.18Å; E75-L80 HydrophobicContact CG-CD1 4.36Å; E75-R98 IonicContact OE1-CZ 3.45Å; E75-R98 IonicContact OE1-NH1 3.6Å; E75-R98 PolarHBondContact OE1-NH1 2.84Å; E75-R98 IonicContact OE1-NH2 2.73Å; E75-R98 PolarHBondContact OE1-NH2 3.05Å
76	D	98.6	Very high	97.7	Very high	27 Å²	27	61.4 Å²	61.4	14%	0.144	33%	0.325	C	S	.	.			trans	-140.8	-165.6	171.4	66.1	28.7	0	0	0	111.7	Y74 K78 C79 R98 H117	Y74-D76 HydrophobicContact CE1-CB 4.06Å; Y74-D76 WeakPolarHBondContact CE1-OD2 3.3Å; Y74-D76 VanDerWaalsContact CZ-OD2 3.25Å; Y74-D76 PolarHBondContact OH-OD2 3.03Å; D76-K78 VanDerWaalsContact C-N 3.33Å; D76-K78 PolarHBondContact OD1-N 2.87Å; D76-C79 PolarHBondContact N-O 3.48Å; D76-C79 PolarHBondContact OD1-N 3.22Å; D76-C79 PolarHBondContact OD1-SG 3.23Å; D76-R98 VanDerWaalsContact O-CZ 3.23Å; D76-R98 PolarHBondContact O-NE 3.28Å; D76-R98 PolarHBondContact O-NH2 3.25Å; D76-H117 IonicContact OD1-NE2 3.3Å; D76-H117 PolarHBondContact OD1-NE2 3.15Å; D76-H117 IonicContact OD2-CE1 2.68Å; D76-H117 PolarHBondContact OD2-CE1 2.86Å; D76-H117 IonicContact OD2-NE2 2.73Å; D76-H117 PolarHBondContact OD2-NE2 3.33Å
77	D	98.1	Very high	97.7	Very high	126 Å²	126	60.6 Å²	60.6	67%	0.674	33%	0.329	S	S	*	.	S	Bend	trans	-70.1	-24.4	-179.7	59.8	-56.1	0	0	0	113.8	R98	D77-R98 WeakPolarHBondContact O-CD 3.49Å
78	K	98.2	Very high	97.8	Very high	64 Å²	64	62 Å²	62	28%	0.278	33%	0.33	S	S	.	.	S	Bend	trans	-105.7	-31.9	-175.1	-67.3	179.8	-178.6	175.3	0	113.4	D76 P97 R98 E113 L114	D76-K78 VanDerWaalsContact C-N 3.33Å; D76-K78 PolarHBondContact OD1-N 2.87Å; K78-P97 WeakPolarHBondContact O-CA 3.33Å; K78-R98 PolarHBondContact O-N 2.97Å; K78-E113 IonicContact NZ-OE1 2.61Å; K78-E113 PolarHBondContact NZ-OE1 2.92Å; K78-L114 HydrophobicContact CB-CD1 4Å
79	C	98.6	Very high	97.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	169.4	-171.4	69.5	0	0	0	0	114.5	D76 I96 L118	D76-C79 PolarHBondContact N-O 3.48Å; D76-C79 PolarHBondContact OD1-N 3.22Å; D76-C79 PolarHBondContact OD1-SG 3.23Å; C79-I96 CarbonylContact C-O 3.59Å; C79-I96 VanDerWaalsContact CA-O 3.22Å; C79-I96 WeakPolarHBondContact CA-O 3.46Å; C79-I96 WeakPolarHBondContact CB-O 3.44Å; C79-L118 HydrophobicContact CB-CD2 3.44Å; C79-L118 VanDerWaalsContact CB-CD2 3.44Å
80	L	98.6	Very high	98.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	141.2	178.2	-178.1	155.6	0	0	0	108.8	V63 K66 I72 E75 F82 I96	V63-L80 HydrophobicContact CG1-CD2 4.07Å; K66-L80 VanDerWaalsContact NZ-CD1 3.26Å; I72-L80 HydrophobicContact CD1-CD1 4.36Å; I72-L80 HydrophobicContact CG1-CD1 4.49Å; I72-L80 HydrophobicContact CG1-CD2 4.38Å; I72-L80 HydrophobicContact CG2-CG 4.23Å; E75-L80 HydrophobicContact CG-CD1 4.36Å; L80-F82 HydrophobicContact CD2-CB 4.04Å; L80-F82 HydrophobicContact CD2-CD1 3.47Å; L80-F82 VanDerWaalsContact CD2-CD1 3.47Å; L80-F82 HydrophobicContact CD2-CE1 4.27Å; L80-F82 HydrophobicContact CD2-CG 4.09Å; L80-I96 HydrophobicContact CB-CG1 4.25Å; L80-I96 HydrophobicContact CD2-CD1 4.47Å; L80-I96 HydrophobicContact CD2-CG1 4.45Å; L80-I96 PolarHBondContact N-O 2.93Å; L80-I96 WeakPolarHBondContact O-CG1 3.45Å; L80-I96 PolarHBondContact O-N 2.9Å
81	A	98.8	Very high	98.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.5	170.8	0	0	0	0	0	112	I73 Y74 F93 L94 V95 V125	I73-A81 HydrophobicContact CG1-CB 4.15Å; I73-A81 PolarHBondContact N-O 2.9Å; Y74-A81 PolarHBondContact N-O 2.99Å; Y74-A81 PolarHBondContact O-N 3.36Å; A81-F93 HydrophobicContact CB-CD2 4.43Å; A81-L94 CarbonylContact C-O 3.5Å; A81-L94 WeakPolarHBondContact CA-O 3.42Å; A81-L94 WeakPolarHBondContact CB-O 3.49Å; A81-V95 HydrophobicContact CB-CB 4.43Å; A81-V95 HydrophobicContact CB-CG1 4.39Å; A81-V95 HydrophobicContact CB-CG2 3.91Å; A81-V125 HydrophobicContact CB-CG2 4.47Å
82	F	98.8	Very high	98.2	Very high	14 Å²	14	54 Å²	54	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153.6	-174.9	66.1	-73	0	0	0	111.6	F60 V63 A70 D71 I72 L80 F93 L94 I96	F60-F82 AromaticContact CD1-CZ 3.84Å; F60-F82 HydrophobicContact CD1-CZ 3.84Å; F60-F82 AromaticContact CE1-CZ 3.84Å; F60-F82 HydrophobicContact CE1-CZ 3.84Å; F60-F82 HydrophobicContact CG-CZ 4.48Å; F60-F82 HydrophobicContact CZ-CZ 4.47Å; V63-F82 HydrophobicContact CG1-CD1 4.33Å; V63-F82 HydrophobicContact CG1-CD2 4.42Å; V63-F82 HydrophobicContact CG1-CE1 4.4Å; V63-F82 HydrophobicContact CG1-CE2 4.49Å; V63-F82 HydrophobicContact CG1-CG 4.33Å; V63-F82 HydrophobicContact CG1-CZ 4.46Å; V63-F82 HydrophobicContact CG2-CE2 4.37Å; V63-F82 HydrophobicContact CG2-CZ 4.48Å; A70-F82 HydrophobicContact CB-CB 4.24Å; A70-F82 HydrophobicContact CB-CD2 3.93Å; A70-F82 HydrophobicContact CB-CG 4.35Å; D71-F82 CarbonylContact O-C 3.55Å; D71-F82 WeakPolarHBondContact O-CA 3.47Å; D71-F82 WeakPolarHBondContact O-CB 3.49Å; I72-F82 HydrophobicContact CG1-CB 4.39Å; L80-F82 HydrophobicContact CD2-CB 4.04Å; L80-F82 HydrophobicContact CD2-CD1 3.47Å; L80-F82 VanDerWaalsContact CD2-CD1 3.47Å; L80-F82 HydrophobicContact CD2-CE1 4.27Å; L80-F82 HydrophobicContact CD2-CG 4.09Å; F82-F93 CarbonylContact O-C 3.43Å; F82-F93 WeakPolarHBondContact O-CA 3.39Å; F82-F93 WeakPolarHBondContact O-CB 3.35Å; F82-L94 HydrophobicContact CD1-CB 4.31Å; F82-L94 HydrophobicContact CE1-CB 3.91Å; F82-L94 HydrophobicContact CE1-CD1 4.28Å; F82-L94 HydrophobicContact CE2-CD1 4.19Å; F82-L94 HydrophobicContact CZ-CB 4.21Å; F82-L94 HydrophobicContact CZ-CD1 3.74Å; F82-L94 HydrophobicContact CZ-CG 4.41Å; F82-L94 PolarHBondContact N-O 3.21Å; F82-L94 PolarHBondContact O-N 2.91Å; F82-I96 HydrophobicContact CE1-CD1 3.86Å; F82-I96 HydrophobicContact CE1-CG1 4.18Å; F82-I96 HydrophobicContact CE1-CG2 4.14Å
83	R	98.6	Very high	98.3	Very high	89 Å²	89	51.2 Å²	51.2	34%	0.336	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	141	178.1	-59.2	-166.6	-168.6	-76.9	-18.3	111.2	D71 I73 E129	D71-R83 HydrophobicContact CB-CB 4.26Å; D71-R83 HydrophobicContact CB-CG 4.15Å; D71-R83 PolarHBondContact O-N 3.29Å; D71-R83 WeakPolarHBondContact OD2-CD 3.48Å; D71-R83 IonicContact OD2-CZ 2.74Å; D71-R83 IonicContact OD2-NE 3.34Å; D71-R83 PolarHBondContact OD2-NE 3.38Å; I73-R83 HydrophobicContact CG2-CG 4.18Å; R83-E129 IonicContact CZ-OE1 2.78Å; R83-E129 IonicContact CZ-OE2 2.72Å; R83-E129 IonicContact NH1-OE1 3.53Å; R83-E129 IonicContact NH1-OE2 3.39Å; R83-E129 PolarHBondContact NH1-OE2 3.08Å; R83-E129 IonicContact NH2-OE1 3.97Å; R83-E129 PolarHBondContact NH2-OE1 2.86Å; R83-E129 IonicContact NH2-OE2 2.93Å; R83-E129 PolarHBondContact NH2-OE2 3.15Å
84	D	98.1	Very high	98.3	Very high	28 Å²	28	49.9 Å²	49.9	15%	0.15	26%	0.261	C	S	.	.			trans	-71.8	136.1	173.4	-165.5	-52.7	0	0	0	109.6	S86 H92 L94 H155	D84-S86 VanDerWaalsContact C-N 3.27Å; D84-S86 PolarHBondContact O-N 3.5Å; D84-S86 WeakPolarHBondContact OD1-CA 3.2Å; D84-S86 PolarHBondContact OD1-N 3.11Å; D84-H92 HydrophobicContact CB-CB 4.26Å; D84-H92 WeakPolarHBondContact CB-ND1 3.3Å; D84-H92 VanDerWaalsContact CG-CE1 3.45Å; D84-H92 PolarHBondContact N-O 3.05Å; D84-H92 IonicContact OD2-CE1 3.65Å; D84-H92 PolarHBondContact OD2-CE1 2.92Å; D84-H92 IonicContact OD2-ND1 2.72Å; D84-H92 PolarHBondContact OD2-ND1 3.44Å; D84-H92 IonicContact OD2-NE2 3.3Å; D84-L94 HydrophobicContact CB-CG 4.45Å; D84-H155 IonicContact OD2-ND1 2.68Å
85	I	96.5	Very high	98.3	Very high	164 Å²	164	47 Å²	47	84%	0.841	25%	0.25	S	C	*	.	S	Bend	trans	-74	-19.4	-179.9	-164.4	168	0	0	0	112.9	P87	I85-P87 WeakPolarHBondContact O-CD 3.48Å
86	S	96.1	Very high	98.3	Very high	67 Å²	67	43.3 Å²	43.3	47%	0.469	23%	0.232	S	C	.	.	S	Bend	trans	-120.2	61.1	179.4	-68.5	0	0	0	0	110.5	D84 Q88	D84-S86 VanDerWaalsContact C-N 3.27Å; D84-S86 PolarHBondContact O-N 3.5Å; D84-S86 WeakPolarHBondContact OD1-CA 3.2Å; D84-S86 PolarHBondContact OD1-N 3.11Å; S86-Q88 PolarHBondContact O-N 3.14Å; S86-Q88 PolarHBondContact O-NE2 2.88Å
87	P	97.5	Very high	98.3	Very high	79 Å²	79	42 Å²	42	51%	0.513	23%	0.225	S	C	.	.			trans	-62.6	124.6	-167.7	25.6	-35.4	0	0	0	113.5	I85 H92	I85-P87 WeakPolarHBondContact O-CD 3.48Å; P87-H92 HydrophobicContact CB-CB 3.86Å
88	Q	97.9	Very high	98.2	Very high	110 Å²	110	39.7 Å²	39.7	51%	0.514	21%	0.207	S	C	.	.	S	Bend	trans	-92.8	-0.8	179.2	-57.8	-56.8	-64.3	0	0	113.2	S86 H92 L157 R160	S86-Q88 PolarHBondContact O-N 3.14Å; S86-Q88 PolarHBondContact O-NE2 2.88Å; Q88-H92 PolarHBondContact N-ND1 2.8Å; Q88-L157 HydrophobicContact CB-CD2 3.86Å; Q88-R160 PolarHBondContact O-NE 3Å; Q88-R160 PolarHBondContact O-NH2 2.8Å
89	A	98.3	Very high	98.1	Very high	8 Å²	8	41 Å²	41	7%	0.066	22%	0.218	C	C	.	.	S	Bend	trans	-152.5	160.8	174.5	0	0	0	0	0	109.6	V91 L157 G158 R160	A89-V91 CarbonylContact O-C 3.54Å; A89-V91 PolarHBondContact O-N 2.95Å; A89-V91 VanDerWaalsContact O-N 3.15Å; A89-L157 HydrophobicContact CB-CB 4.15Å; A89-L157 HydrophobicContact CB-CD2 4.45Å; A89-G158 WeakPolarHBondContact CB-O 3.45Å; A89-R160 HydrophobicContact CB-CG 4.23Å
90	P	98.4	Very high	98	Very high	100 Å²	100	43.8 Å²	43.8	65%	0.649	24%	0.235	S	C	*	.	S	Bend	trans	-55	-31.8	-178	-29.7	38.2	0	0	0	114.3	G158 R160	P90-G158 WeakPolarHBondContact CD-O 3.41Å; P90-R160 HydrophobicContact CG-CB 4.39Å
91	V	98.7	Very high	97.9	Very high	18 Å²	18	44.5 Å²	44.5	11%	0.109	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.1	158.5	-178.9	0	0	0	0	108	A89 F93 E129 L131 L157 G158	A89-V91 CarbonylContact O-C 3.54Å; A89-V91 PolarHBondContact O-N 2.95Å; A89-V91 VanDerWaalsContact O-N 3.15Å; V91-F93 HydrophobicContact CG1-CD1 3.83Å; V91-F93 HydrophobicContact CG1-CE1 4.19Å; V91-E129 HydrophobicContact CG1-CB 3.99Å; V91-E129 HydrophobicContact CG1-CG 4.29Å; V91-L131 HydrophobicContact CB-CD1 4.24Å; V91-L131 HydrophobicContact CB-CD2 3.94Å; V91-L131 HydrophobicContact CB-CG 4.49Å; V91-L131 HydrophobicContact CG1-CD1 3.96Å; V91-L131 HydrophobicContact CG1-CD2 4.42Å; V91-L131 HydrophobicContact CG1-CG 4.45Å; V91-L131 HydrophobicContact CG2-CD2 3.81Å; V91-L157 WeakPolarHBondContact O-CA 3.46Å; V91-G158 PolarHBondContact N-O 2.8Å; V91-G158 VanDerWaalsContact N-O 3.08Å; V91-G158 PolarHBondContact O-N 3.43Å
92	H	98.9	Very high	97.7	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	118.7	168.1	-170.8	-157.1	0	0	0	108.9	D84 P87 Q88 H155 V156	D84-H92 HydrophobicContact CB-CB 4.26Å; D84-H92 WeakPolarHBondContact CB-ND1 3.3Å; D84-H92 VanDerWaalsContact CG-CE1 3.45Å; D84-H92 PolarHBondContact N-O 3.05Å; D84-H92 IonicContact OD2-CE1 3.65Å; D84-H92 PolarHBondContact OD2-CE1 2.92Å; D84-H92 IonicContact OD2-ND1 2.72Å; D84-H92 PolarHBondContact OD2-ND1 3.44Å; D84-H92 IonicContact OD2-NE2 3.3Å; P87-H92 HydrophobicContact CB-CB 3.86Å; Q88-H92 PolarHBondContact N-ND1 2.8Å; H92-H155 AromaticContact CE1-ND1 3.55Å; H92-H155 AromaticContact NE2-CG 3.7Å; H92-H155 AromaticContact NE2-ND1 3.08Å; H92-H155 PolarHBondContact NE2-ND1 3.34Å; H92-V156 WeakPolarHBondContact CA-O 3.33Å
93	F	98.9	Very high	97.7	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.7	175.3	67.4	-97	0	0	0	111	I73 A81 F82 V91 V95 V125 A126 E129 V156	I73-F93 HydrophobicContact CD1-CB 3.64Å; I73-F93 HydrophobicContact CD1-CD1 3.98Å; I73-F93 HydrophobicContact CD1-CD2 4.02Å; I73-F93 HydrophobicContact CD1-CG 3.64Å; A81-F93 HydrophobicContact CB-CD2 4.43Å; F82-F93 CarbonylContact O-C 3.43Å; F82-F93 WeakPolarHBondContact O-CA 3.39Å; F82-F93 WeakPolarHBondContact O-CB 3.35Å; V91-F93 HydrophobicContact CG1-CD1 3.83Å; V91-F93 HydrophobicContact CG1-CE1 4.19Å; F93-V95 HydrophobicContact CD2-CG2 4.01Å; F93-V95 HydrophobicContact CE2-CG2 3.7Å; F93-V125 HydrophobicContact CD1-CG1 4.38Å; F93-V125 HydrophobicContact CD2-CG1 4.11Å; F93-V125 HydrophobicContact CE1-CG1 3.9Å; F93-V125 HydrophobicContact CE2-CB 3.86Å; F93-V125 HydrophobicContact CE2-CG1 3.58Å; F93-V125 HydrophobicContact CG-CG1 4.48Å; F93-V125 HydrophobicContact CZ-CB 3.74Å; F93-V125 HydrophobicContact CZ-CG1 3.46Å; F93-V125 VanDerWaalsContact CZ-CG1 3.46Å; F93-A126 HydrophobicContact CZ-CB 4.32Å; F93-E129 HydrophobicContact CD1-CG 4.41Å; F93-E129 HydrophobicContact CE1-CG 4.22Å; F93-V156 HydrophobicContact CD1-CB 4.12Å; F93-V156 HydrophobicContact CD2-CB 4.07Å; F93-V156 HydrophobicContact CD2-CG2 4.11Å; F93-V156 HydrophobicContact CE1-CB 3.71Å; F93-V156 HydrophobicContact CE1-CG1 3.72Å; F93-V156 HydrophobicContact CE1-CG2 4.41Å; F93-V156 HydrophobicContact CE2-CB 3.66Å; F93-V156 HydrophobicContact CE2-CG1 4.27Å; F93-V156 HydrophobicContact CE2-CG2 3.49Å; F93-V156 VanDerWaalsContact CE2-CG2 3.49Å; F93-V156 HydrophobicContact CG-CB 4.28Å; F93-V156 HydrophobicContact CZ-CB 3.46Å; F93-V156 VanDerWaalsContact CZ-CB 3.46Å; F93-V156 HydrophobicContact CZ-CG1 3.57Å; F93-V156 HydrophobicContact CZ-CG2 3.66Å; F93-V156 PolarHBondContact N-O 2.91Å; F93-V156 VanDerWaalsContact N-O 3.15Å; F93-V156 PolarHBondContact O-N 2.93Å
94	L	98.8	Very high	97.6	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	144.6	175.4	-52.8	-174.4	0	0	0	109.4	F60 A81 F82 D84 I154 H155	F60-L94 HydrophobicContact CE1-CD1 4.02Å; F60-L94 HydrophobicContact CE2-CD1 4.31Å; F60-L94 HydrophobicContact CZ-CD1 3.58Å; A81-L94 CarbonylContact C-O 3.5Å; A81-L94 WeakPolarHBondContact CA-O 3.42Å; A81-L94 WeakPolarHBondContact CB-O 3.49Å; F82-L94 HydrophobicContact CD1-CB 4.31Å; F82-L94 HydrophobicContact CE1-CB 3.91Å; F82-L94 HydrophobicContact CE1-CD1 4.28Å; F82-L94 HydrophobicContact CE2-CD1 4.19Å; F82-L94 HydrophobicContact CZ-CB 4.21Å; F82-L94 HydrophobicContact CZ-CD1 3.74Å; F82-L94 HydrophobicContact CZ-CG 4.41Å; F82-L94 PolarHBondContact N-O 3.21Å; F82-L94 PolarHBondContact O-N 2.91Å; D84-L94 HydrophobicContact CB-CG 4.45Å; L94-I154 CarbonylContact C-O 3.58Å; L94-I154 WeakPolarHBondContact CA-O 3.38Å; L94-H155 HydrophobicContact CD2-CB 4.28Å; L94-H155 WeakPolarHBondContact CD2-ND1 3.37Å
95	V	98.9	Very high	97.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.3	162.9	-168.1	0	0	0	0	108.3	A81 F93 L118 V121 A122 H153 I154	A81-V95 HydrophobicContact CB-CB 4.43Å; A81-V95 HydrophobicContact CB-CG1 4.39Å; A81-V95 HydrophobicContact CB-CG2 3.91Å; F93-V95 HydrophobicContact CD2-CG2 4.01Å; F93-V95 HydrophobicContact CE2-CG2 3.7Å; V95-L118 HydrophobicContact CG1-CD2 3.84Å; V95-V121 HydrophobicContact CG1-CB 4.48Å; V95-V121 HydrophobicContact CG1-CG1 3.94Å; V95-A122 HydrophobicContact CG2-CB 3.83Å; V95-H153 WeakPolarHBondContact O-CA 3.39Å; V95-I154 HydrophobicContact CB-CB 4.44Å; V95-I154 PolarHBondContact N-O 2.58Å; V95-I154 PolarHBondContact O-N 3.12Å
96	I	98.7	Very high	97.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.6	-176.8	62.8	171.3	0	0	0	110.9	F60 I64 C79 L80 F82 H153	F60-I96 HydrophobicContact CB-CD1 3.86Å; F60-I96 HydrophobicContact CD2-CG2 3.89Å; F60-I96 HydrophobicContact CE2-CG2 4.21Å; F60-I96 HydrophobicContact CG-CD1 4.33Å; I64-I96 HydrophobicContact CD1-CD1 3.88Å; I64-I96 HydrophobicContact CG1-CD1 3.82Å; C79-I96 CarbonylContact C-O 3.59Å; C79-I96 VanDerWaalsContact CA-O 3.22Å; C79-I96 WeakPolarHBondContact CA-O 3.46Å; C79-I96 WeakPolarHBondContact CB-O 3.44Å; L80-I96 HydrophobicContact CB-CG1 4.25Å; L80-I96 HydrophobicContact CD2-CD1 4.47Å; L80-I96 HydrophobicContact CD2-CG1 4.45Å; L80-I96 PolarHBondContact N-O 2.93Å; L80-I96 WeakPolarHBondContact O-CG1 3.45Å; L80-I96 PolarHBondContact O-N 2.9Å; F82-I96 HydrophobicContact CE1-CD1 3.86Å; F82-I96 HydrophobicContact CE1-CG1 4.18Å; F82-I96 HydrophobicContact CE1-CG2 4.14Å; I96-H153 HydrophobicContact CG2-CB 3.77Å
97	P	98.4	Very high	97.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	155.2	165.5	31	-31.1	0	0	0	109.9	K78 D99 L114 L118 H151 L152	K78-P97 WeakPolarHBondContact O-CA 3.33Å; P97-D99 WeakPolarHBondContact CG-O 3.25Å; P97-L114 HydrophobicContact CB-CD1 4.19Å; P97-L114 HydrophobicContact CB-CD2 3.95Å; P97-L114 HydrophobicContact CB-CG 4.33Å; P97-L118 HydrophobicContact CB-CD1 4.27Å; P97-L118 HydrophobicContact CB-CD2 4.38Å; P97-L118 HydrophobicContact CG-CD1 4.31Å; P97-H151 PolarHBondContact O-NE2 2.66Å; P97-L152 WeakPolarHBondContact CD-O 3.44Å; P97-L152 HydrophobicContact CG-CB 4.16Å; P97-L152 HydrophobicContact CG-CD2 4.43Å
98	R	97.6	Very high	97.7	Very high	77 Å²	77	44.5 Å²	44.5	29%	0.291	24%	0.235	S	C	.	.	S	Bend	trans	-69	-39.7	168	-70.7	-168.4	-175.5	-86.8	0.1	111.3	I64 E75 D76 D77 K78	I64-R98 HydrophobicContact CG2-CG 4.48Å; E75-R98 IonicContact OE1-CZ 3.45Å; E75-R98 IonicContact OE1-NH1 3.6Å; E75-R98 PolarHBondContact OE1-NH1 2.84Å; E75-R98 IonicContact OE1-NH2 2.73Å; E75-R98 PolarHBondContact OE1-NH2 3.05Å; D76-R98 VanDerWaalsContact O-CZ 3.23Å; D76-R98 PolarHBondContact O-NE 3.28Å; D76-R98 PolarHBondContact O-NH2 3.25Å; D77-R98 WeakPolarHBondContact O-CD 3.49Å; K78-R98 PolarHBondContact O-N 2.97Å
99	D	95.6	Very high	97.6	Very high	93 Å²	93	46.7 Å²	46.7	50%	0.497	25%	0.251	S	S	.	.	S	Bend	trans	-61.7	133.2	175	-63.5	-58.1	0	0	0	110.7	P97 I101	P97-D99 WeakPolarHBondContact CG-O 3.25Å; D99-I101 HydrophobicContact CB-CG1 4.36Å; D99-I101 PolarHBondContact O-N 3.45Å
100	P	95.1	Very high	97.6	Very high	57 Å²	57	53.4 Å²	53.4	37%	0.37	29%	0.285	S	S	.	.			trans	-80	54.2	-174.1	34.4	-37.7	0	0	0	112.1	P55 P102	P55-P100 HydrophobicContact CB-CB 4.05Å; P55-P100 HydrophobicContact CB-CG 3.84Å; P55-P100 WeakPolarHBondContact CB-O 3.4Å; P55-P100 HydrophobicContact CG-CG 4.37Å; P100-P102 VanDerWaalsContact O-CD 3.25Å; P100-P102 WeakPolarHBondContact O-CD 3.29Å
101	I	96.4	Very high	97.6	Very high	15 Å²	15	50.1 Å²	50.1	8%	0.077	26%	0.262	C	S	.	.			trans	-61.8	117.7	172.6	-62.5	179.3	0	0	0	107.9	D99 K103 V107 D111 L114 H151 L152	D99-I101 HydrophobicContact CB-CG1 4.36Å; D99-I101 PolarHBondContact O-N 3.45Å; I101-K103 WeakPolarHBondContact CG2-O 3.14Å; I101-V107 HydrophobicContact CG2-CG1 3.86Å; I101-D111 HydrophobicContact CD1-CB 4.47Å; I101-L114 HydrophobicContact CD1-CD2 3.81Å; I101-H151 CarbonylContact O-C 3.59Å; I101-H151 WeakPolarHBondContact O-CA 3.34Å; I101-L152 HydrophobicContact CB-CB 4.19Å; I101-L152 HydrophobicContact CG2-CB 4.15Å; I101-L152 HydrophobicContact CG2-CD2 4.15Å; I101-L152 WeakPolarHBondContact O-CB 3.4Å; I101-L152 PolarHBondContact O-N 3.44Å
102	P	96.3	Very high	97.5	Very high	13 Å²	13	52.3 Å²	52.3	8%	0.084	28%	0.282	C	S	.	.			trans	-75.8	-36.2	-167.1	-22.5	36.9	0	0	0	114.5	S54 P100 E106 Q147 Y150 H151	S54-P102 WeakPolarHBondContact OG-CB 3.45Å; S54-P102 WeakPolarHBondContact OG-CG 3.14Å; P100-P102 VanDerWaalsContact O-CD 3.25Å; P100-P102 WeakPolarHBondContact O-CD 3.29Å; P102-E106 VanDerWaalsContact CG-OE2 3.3Å; P102-E106 WeakPolarHBondContact CG-OE2 3.43Å; P102-Q147 PolarHBondContact O-NE2 2.92Å; P102-Y150 WeakPolarHBondContact CA-O 3.47Å; P102-Y150 CarbonylContact O-C 3.51Å; P102-Y150 VanDerWaalsContact O-CA 3.29Å; P102-Y150 WeakPolarHBondContact O-CA 3.35Å; P102-H151 PolarHBondContact O-N 3.4Å
103	K	97.1	Very high	97.5	Very high	32 Å²	32	58.3 Å²	58.3	14%	0.139	31%	0.311	C	S	.	.			trans	-148	164.9	-179.5	-46.7	-167.2	-166.3	79.2	0	110.7	I101 S105 E106 D141	I101-K103 WeakPolarHBondContact CG2-O 3.14Å; K103-S105 PolarHBondContact O-N 3.42Å; K103-E106 IonicContact NZ-OE1 3.86Å; K103-E106 PolarHBondContact NZ-OE1 3.18Å; K103-E106 PolarHBondContact O-N 2.94Å; K103-E106 VanDerWaalsContact O-N 3.11Å; K103-D141 WeakPolarHBondContact CB-OD1 3.41Å
104	I	98.3	Very high	97.5	Very high	53 Å²	53	59.1 Å²	59.1	27%	0.272	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-69.4	-25.1	172.2	-169.3	63.4	0	0	0	111.8	E106 V107 L115 I139 D141 L152	I104-E106 PolarHBondContact O-N 2.87Å; I104-V107 HydrophobicContact CD1-CG1 4.03Å; I104-V107 WeakPolarHBondContact O-CG2 3.18Å; I104-L115 HydrophobicContact CD1-CD1 4.32Å; I104-L115 HydrophobicContact CD1-CD2 3.94Å; I104-I139 HydrophobicContact CB-CG2 3.81Å; I104-I139 HydrophobicContact CG1-CG2 4.26Å; I104-I139 HydrophobicContact CG2-CG2 3.85Å; I104-D141 HydrophobicContact CG2-CB 3.75Å; I104-D141 VanDerWaalsContact CG2-OD1 3.28Å; I104-D141 WeakPolarHBondContact CG2-OD1 3.23Å; I104-D141 PolarHBondContact N-OD1 2.87Å; I104-L152 HydrophobicContact CB-CD1 3.94Å; I104-L152 HydrophobicContact CD1-CD1 4.2Å; I104-L152 HydrophobicContact CD1-CD2 4.49Å
105	S	97.8	Very high	97.5	Very high	77 Å²	77	60.7 Å²	60.7	54%	0.538	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-73	-4.1	168.9	51.2	0	0	0	0	115.4	K103 D141	K103-S105 PolarHBondContact O-N 3.42Å; S105-D141 WeakPolarHBondContact CB-OD1 3.34Å; S105-D141 PolarHBondContact N-OD1 3.48Å; S105-D141 VanDerWaalsContact OG-CG 3.26Å; S105-D141 PolarHBondContact OG-OD1 2.94Å; S105-D141 PolarHBondContact OG-OD2 3.47Å; S105-D141 VanDerWaalsContact OG-OD2 3.12Å
106	E	96.6	Very high	97.5	Very high	76 Å²	76	62.3 Å²	62.3	36%	0.355	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-113.5	11.2	179.8	-73.3	177.8	-129.6	0	0	113.3	S54 P102 K103 I104	S54-E106 PolarHBondContact OG-OE2 3.07Å; P102-E106 VanDerWaalsContact CG-OE2 3.3Å; P102-E106 WeakPolarHBondContact CG-OE2 3.43Å; K103-E106 IonicContact NZ-OE1 3.86Å; K103-E106 PolarHBondContact NZ-OE1 3.18Å; K103-E106 PolarHBondContact O-N 2.94Å; K103-E106 VanDerWaalsContact O-N 3.11Å; I104-E106 PolarHBondContact O-N 2.87Å
107	V	97.1	Very high	97.5	Very high	47 Å²	47	64.4 Å²	64.4	29%	0.285	35%	0.349	S	S	.	.			trans	-75.3	157.6	172.7	-56.9	0	0	0	0	112.2	I101 I104 D111 L115 L152	I101-V107 HydrophobicContact CG2-CG1 3.86Å; I104-V107 HydrophobicContact CD1-CG1 4.03Å; I104-V107 WeakPolarHBondContact O-CG2 3.18Å; V107-D111 WeakPolarHBondContact CA-OD2 3.37Å; V107-D111 HydrophobicContact CB-CB 4.32Å; V107-L115 HydrophobicContact CB-CD1 4.34Å; V107-L115 HydrophobicContact CG1-CD1 4.21Å; V107-L115 HydrophobicContact CG1-CD2 4.23Å; V107-L115 HydrophobicContact CG2-CD1 4.19Å; V107-L152 HydrophobicContact CG1-CD2 4.45Å
108	K	97.4	Very high	97.5	Very high	143 Å²	143	64.4 Å²	64.4	62%	0.622	35%	0.35	S	S	*	.			trans	-109.8	165.5	173.9	-57.4	163.8	-167.2	158.1	0	110.1	D110 D111	K108-D110 PolarHBondContact O-N 3.32Å; K108-D111 PolarHBondContact N-OD2 2.91Å; K108-D111 WeakPolarHBondContact O-CB 3.42Å; K108-D111 PolarHBondContact O-N 2.93Å
109	D	97.3	Very high	97.6	Very high	157 Å²	157	64.7 Å²	64.7	84%	0.84	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-58.8	-34.6	174.7	-60.2	-42.7	0	0	0	112.2	D111 A112	D109-D111 PolarHBondContact O-N 2.92Å; D109-A112 VanDerWaalsContact O-CB 3.28Å; D109-A112 WeakPolarHBondContact O-CB 3.44Å; D109-A112 PolarHBondContact O-N 2.81Å
110	D	97.1	Very high	97.7	Very high	148 Å²	148	63.7 Å²	63.7	79%	0.791	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-64.6	-23.9	176.1	-61.5	-36.4	0	0	0	113.4	K108 A112	K108-D110 PolarHBondContact O-N 3.32Å; D110-A112 PolarHBondContact O-N 3.16Å
111	D	98	Very high	97.9	Very high	31 Å²	31	61.1 Å²	61.1	17%	0.166	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-76.5	-3.3	179.7	-60.1	-45.1	0	0	0	112.4	I101 V107 K108 D109 E113 L114 L115	I101-D111 HydrophobicContact CD1-CB 4.47Å; V107-D111 WeakPolarHBondContact CA-OD2 3.37Å; V107-D111 HydrophobicContact CB-CB 4.32Å; K108-D111 PolarHBondContact N-OD2 2.91Å; K108-D111 WeakPolarHBondContact O-CB 3.42Å; K108-D111 PolarHBondContact O-N 2.93Å; D109-D111 PolarHBondContact O-N 2.92Å; D111-E113 VanDerWaalsContact C-N 3.3Å; D111-E113 PolarHBondContact O-N 3Å; D111-L114 WeakPolarHBondContact O-CB 3.35Å; D111-L114 PolarHBondContact O-N 3.48Å; D111-L115 WeakPolarHBondContact O-CG 3.33Å; D111-L115 PolarHBondContact O-N 3.2Å
112	A	98	Very high	98	Very high	64 Å²	64	60.4 Å²	60.4	53%	0.529	33%	0.333	S	S	.	.	H	α-helix	trans	-57.6	-36.6	-174.2	0	0	0	0	0	114	D109 D110 G116	D109-A112 VanDerWaalsContact O-CB 3.28Å; D109-A112 WeakPolarHBondContact O-CB 3.44Å; D109-A112 PolarHBondContact O-N 2.81Å; D110-A112 PolarHBondContact O-N 3.16Å; A112-G116 PolarHBondContact O-N 3.3Å
113	E	98.4	Very high	98.1	Very high	136 Å²	136	64.2 Å²	64.2	64%	0.636	35%	0.348	S	S	*	.	H	α-helix	trans	-68.3	-40.3	175.5	-162	-159.8	109.4	0	0	111.5	K78 D111 G116 H117	K78-E113 IonicContact NZ-OE1 2.61Å; K78-E113 PolarHBondContact NZ-OE1 2.92Å; D111-E113 VanDerWaalsContact C-N 3.3Å; D111-E113 PolarHBondContact O-N 3Å; E113-G116 PolarHBondContact O-N 3.29Å; E113-H117 WeakPolarHBondContact O-CB 3.4Å; E113-H117 PolarHBondContact O-N 3.06Å
114	L	98.6	Very high	98.2	Very high	17 Å²	17	65.8 Å²	65.8	9%	0.089	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-43.8	176.8	176.8	60.6	0	0	0	111.1	K78 P97 I101 D111 G116 H117 L118	K78-L114 HydrophobicContact CB-CD1 4Å; P97-L114 HydrophobicContact CB-CD1 4.19Å; P97-L114 HydrophobicContact CB-CD2 3.95Å; P97-L114 HydrophobicContact CB-CG 4.33Å; I101-L114 HydrophobicContact CD1-CD2 3.81Å; D111-L114 WeakPolarHBondContact O-CB 3.35Å; D111-L114 PolarHBondContact O-N 3.48Å; L114-G116 VanDerWaalsContact C-N 3.35Å; L114-G116 PolarHBondContact O-N 2.68Å; L114-H117 WeakPolarHBondContact O-CB 3.45Å; L114-H117 PolarHBondContact O-N 3.05Å; L114-L118 WeakPolarHBondContact O-CG 3.3Å; L114-L118 PolarHBondContact O-N 3.14Å
115	L	98.7	Very high	98.2	Very high	39 Å²	39	63.3 Å²	63.3	20%	0.204	35%	0.346	C	S	.	.	H	α-helix	trans	-62	-41.4	174.9	-64.9	176.8	0	0	0	112	I104 V107 D111 L118 L119 L152	I104-L115 HydrophobicContact CD1-CD1 4.32Å; I104-L115 HydrophobicContact CD1-CD2 3.94Å; V107-L115 HydrophobicContact CB-CD1 4.34Å; V107-L115 HydrophobicContact CG1-CD1 4.21Å; V107-L115 HydrophobicContact CG1-CD2 4.23Å; V107-L115 HydrophobicContact CG2-CD1 4.19Å; D111-L115 WeakPolarHBondContact O-CG 3.33Å; D111-L115 PolarHBondContact O-N 3.2Å; L115-L118 HydrophobicContact CD2-CD1 4.41Å; L115-L118 PolarHBondContact O-N 3.46Å; L115-L119 WeakPolarHBondContact O-CG 3.5Å; L115-L119 PolarHBondContact O-N 3.45Å; L115-L152 HydrophobicContact CD2-CD2 3.7Å
116	G	98.8	Very high	98.3	Very high	34 Å²	34	59.7 Å²	59.7	35%	0.351	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-44.1	172.4	0	0	0	0	0	112.5	A112 E113 L114 L119 V120	A112-G116 PolarHBondContact O-N 3.3Å; E113-G116 PolarHBondContact O-N 3.29Å; L114-G116 VanDerWaalsContact C-N 3.35Å; L114-G116 PolarHBondContact O-N 2.68Å; G116-L119 PolarHBondContact O-N 2.8Å; G116-V120 WeakPolarHBondContact O-CG2 3.4Å; G116-V120 PolarHBondContact O-N 2.72Å
117	H	98.9	Very high	98.4	Very high	43 Å²	43	63.3 Å²	63.3	20%	0.199	34%	0.335	C	S	.	.	H	α-helix	trans	-60.7	-47.8	176.9	-174.5	69.4	0	0	0	112.1	D76 E113 L114 L119 V120 V121	D76-H117 IonicContact OD1-NE2 3.3Å; D76-H117 PolarHBondContact OD1-NE2 3.15Å; D76-H117 IonicContact OD2-CE1 2.68Å; D76-H117 PolarHBondContact OD2-CE1 2.86Å; D76-H117 IonicContact OD2-NE2 2.73Å; D76-H117 PolarHBondContact OD2-NE2 3.33Å; E113-H117 WeakPolarHBondContact O-CB 3.4Å; E113-H117 PolarHBondContact O-N 3.06Å; L114-H117 WeakPolarHBondContact O-CB 3.45Å; L114-H117 PolarHBondContact O-N 3.05Å; H117-L119 VanDerWaalsContact C-N 3.32Å; H117-L119 PolarHBondContact O-N 3.48Å; H117-V120 PolarHBondContact O-N 2.93Å; H117-V121 WeakPolarHBondContact O-CB 3.28Å; H117-V121 WeakPolarHBondContact O-CG2 3.04Å; H117-V121 PolarHBondContact O-N 3.19Å
118	L	98.9	Very high	98.5	Very high	1 Å²	1	68 Å²	68	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-56.7	-42.9	177	-67.6	172.4	0	0	0	112.1	C79 V95 P97 L114 L115 A122 L152 I154	C79-L118 HydrophobicContact CB-CD2 3.44Å; C79-L118 VanDerWaalsContact CB-CD2 3.44Å; V95-L118 HydrophobicContact CG1-CD2 3.84Å; P97-L118 HydrophobicContact CB-CD1 4.27Å; P97-L118 HydrophobicContact CB-CD2 4.38Å; P97-L118 HydrophobicContact CG-CD1 4.31Å; L114-L118 WeakPolarHBondContact O-CG 3.3Å; L114-L118 PolarHBondContact O-N 3.14Å; L115-L118 HydrophobicContact CD2-CD1 4.41Å; L115-L118 PolarHBondContact O-N 3.46Å; L118-A122 VanDerWaalsContact O-CB 3.25Å; L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.01Å; L118-L152 HydrophobicContact CD1-CD2 4.22Å; L118-I154 HydrophobicContact CB-CD1 3.68Å
119	L	98.9	Very high	98.5	Very high	82 Å²	82	63.1 Å²	63.1	43%	0.429	33%	0.331	S	S	.	.	H	α-helix	trans	-68.6	-39.9	177.4	-69.5	169.7	0	0	0	112.6	L115 G116 H117 A122 K123 M137 I154	L115-L119 WeakPolarHBondContact O-CG 3.5Å; L115-L119 PolarHBondContact O-N 3.45Å; G116-L119 PolarHBondContact O-N 2.8Å; H117-L119 VanDerWaalsContact C-N 3.32Å; H117-L119 PolarHBondContact O-N 3.48Å; L119-A122 PolarHBondContact O-N 2.9Å; L119-K123 PolarHBondContact O-N 3.43Å; L119-M137 HydrophobicContact CD2-SD 3.65Å; L119-I154 HydrophobicContact CD2-CD1 3.86Å; L119-I154 HydrophobicContact CG-CD1 4.21Å
120	V	98.9	Very high	98.5	Very high	73 Å²	73	58.6 Å²	58.6	44%	0.442	32%	0.315	S	S	.	.	H	α-helix	trans	-64.7	-43.9	175.7	168.3	0	0	0	0	110.9	G116 H117 K123 N124	G116-V120 WeakPolarHBondContact O-CG2 3.4Å; G116-V120 PolarHBondContact O-N 2.72Å; H117-V120 PolarHBondContact O-N 2.93Å; V120-K123 PolarHBondContact O-N 3.39Å; V120-N124 WeakPolarHBondContact O-CB 3.22Å; V120-N124 PolarHBondContact O-N 2.78Å; V120-N124 PolarHBondContact O-ND2 2.78Å; V120-N124 PolarHBondContact O-OD1 2.88Å
121	V	98.9	Very high	98.6	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-49.3	174.6	167.6	0	0	0	0	110.8	Y74 V95 H117 K123 N124 V125	Y74-V121 HydrophobicContact CD1-CG1 3.4Å; Y74-V121 VanDerWaalsContact CD1-CG1 3.4Å; Y74-V121 HydrophobicContact CD1-CG2 4.46Å; Y74-V121 HydrophobicContact CE1-CB 4.24Å; Y74-V121 HydrophobicContact CE1-CG1 3.47Å; Y74-V121 VanDerWaalsContact CE1-CG1 3.47Å; Y74-V121 HydrophobicContact CE1-CG2 3.66Å; Y74-V121 HydrophobicContact CG-CG1 4.04Å; V95-V121 HydrophobicContact CG1-CB 4.48Å; V95-V121 HydrophobicContact CG1-CG1 3.94Å; H117-V121 WeakPolarHBondContact O-CB 3.28Å; H117-V121 WeakPolarHBondContact O-CG2 3.04Å; H117-V121 PolarHBondContact O-N 3.19Å; V121-K123 VanDerWaalsContact C-N 3.31Å; V121-K123 PolarHBondContact O-N 3.32Å; V121-N124 CarbonylContact O-C 3.52Å; V121-N124 PolarHBondContact O-N 3.38Å; V121-V125 HydrophobicContact CG1-CG2 4.1Å; V121-V125 WeakPolarHBondContact O-CG2 3.32Å; V121-V125 PolarHBondContact O-N 3.31Å
122	A	98.9	Very high	98.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-53.7	-45.5	177.2	0	0	0	0	0	112.5	V95 L118 L119 A126 M137 V156	V95-A122 HydrophobicContact CG2-CB 3.83Å; L118-A122 VanDerWaalsContact O-CB 3.25Å; L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.01Å; L119-A122 PolarHBondContact O-N 2.9Å; A122-A126 VanDerWaalsContact O-CB 3.3Å; A122-A126 WeakPolarHBondContact O-CB 3.32Å; A122-A126 PolarHBondContact O-N 3.09Å; A122-M137 HydrophobicContact CB-CE 3.47Å; A122-M137 VanDerWaalsContact CB-CE 3.47Å; A122-M137 HydrophobicContact CB-SD 3.99Å; A122-V156 HydrophobicContact CB-CG2 3.87Å
123	K	98.8	Very high	98.5	Very high	94 Å²	94	64.4 Å²	64.4	41%	0.409	33%	0.326	S	S	.	.	H	α-helix	trans	-66.2	-39.1	174.5	176.1	-91.1	-64.6	171.3	0	112.7	L119 V120 V121 K127 Y135 M137	L119-K123 PolarHBondContact O-N 3.43Å; V120-K123 PolarHBondContact O-N 3.39Å; V121-K123 VanDerWaalsContact C-N 3.31Å; V121-K123 PolarHBondContact O-N 3.32Å; K123-K127 PolarHBondContact O-N 3.19Å; K123-K127 VanDerWaalsContact O-N 3.16Å; K123-Y135 WeakPolarHBondContact CB-OH 3.34Å; K123-Y135 WeakPolarHBondContact CG-OH 3.13Å; K123-M137 HydrophobicContact CB-CE 4.04Å
124	N	98.8	Very high	98.5	Very high	64 Å²	64	60 Å²	60	34%	0.342	32%	0.316	S	S	.	.	H	α-helix	trans	-68.9	-37.7	179	-71.2	-16.8	0	0	0	112	V120 V121 K128	V120-N124 WeakPolarHBondContact O-CB 3.22Å; V120-N124 PolarHBondContact O-N 2.78Å; V120-N124 PolarHBondContact O-ND2 2.78Å; V120-N124 PolarHBondContact O-OD1 2.88Å; V121-N124 CarbonylContact O-C 3.52Å; V121-N124 PolarHBondContact O-N 3.38Å; N124-K128 PolarHBondContact O-N 2.91Å
125	V	98.8	Very high	98.5	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.012	33%	0.327	C	S	.	.	H	α-helix	trans	-71.3	-43.3	175.1	177.8	0	0	0	0	110.7	I73 Y74 A81 F93 V121 K127 K128 E129	I73-V125 HydrophobicContact CD1-CG1 3.45Å; I73-V125 VanDerWaalsContact CD1-CG1 3.45Å; I73-V125 HydrophobicContact CG1-CG1 3.88Å; Y74-V125 HydrophobicContact CD2-CG2 4.31Å; Y74-V125 HydrophobicContact CG-CG2 4Å; A81-V125 HydrophobicContact CB-CG2 4.47Å; F93-V125 HydrophobicContact CD1-CG1 4.38Å; F93-V125 HydrophobicContact CD2-CG1 4.11Å; F93-V125 HydrophobicContact CE1-CG1 3.9Å; F93-V125 HydrophobicContact CE2-CB 3.86Å; F93-V125 HydrophobicContact CE2-CG1 3.58Å; F93-V125 HydrophobicContact CG-CG1 4.48Å; F93-V125 HydrophobicContact CZ-CB 3.74Å; F93-V125 HydrophobicContact CZ-CG1 3.46Å; F93-V125 VanDerWaalsContact CZ-CG1 3.46Å; V121-V125 HydrophobicContact CG1-CG2 4.1Å; V121-V125 WeakPolarHBondContact O-CG2 3.32Å; V121-V125 PolarHBondContact O-N 3.31Å; V125-K127 PolarHBondContact O-N 2.72Å; V125-K128 WeakPolarHBondContact O-CA 3.44Å; V125-K128 WeakPolarHBondContact O-CB 3.37Å; V125-K128 PolarHBondContact O-N 2.83Å; V125-E129 HydrophobicContact CG1-CG 4.2Å; V125-E129 WeakPolarHBondContact O-CG 3.42Å; V125-E129 PolarHBondContact O-N 3.05Å
126	A	98.8	Very high	98.5	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-55.3	-37.1	174	0	0	0	0	0	112.8	F93 A122 E129 L131 Y135 V156	F93-A126 HydrophobicContact CZ-CB 4.32Å; A122-A126 VanDerWaalsContact O-CB 3.3Å; A122-A126 WeakPolarHBondContact O-CB 3.32Å; A122-A126 PolarHBondContact O-N 3.09Å; A126-E129 CarbonylContact O-C 3.07Å; A126-E129 PolarHBondContact O-N 3.46Å; A126-L131 HydrophobicContact CB-CB 4.37Å; A126-L131 HydrophobicContact CB-CD1 4.06Å; A126-L131 WeakPolarHBondContact O-CB 3.35Å; A126-L131 PolarHBondContact O-N 3.31Å; A126-Y135 HydrophobicContact CB-CD1 3.74Å; A126-Y135 HydrophobicContact CB-CD2 4.48Å; A126-Y135 HydrophobicContact CB-CE1 3.56Å; A126-Y135 HydrophobicContact CB-CE2 4.35Å; A126-Y135 HydrophobicContact CB-CG 4.21Å; A126-V156 HydrophobicContact CB-CG1 4.23Å
127	K	98.6	Very high	98.5	Very high	153 Å²	153	65.3 Å²	65.3	67%	0.665	33%	0.326	S	S	*	.	H	α-helix	trans	-67.6	-34.9	173.6	-175.4	178.4	176.8	-177.5	0	113.3	K123 V125	K123-K127 PolarHBondContact O-N 3.19Å; K123-K127 VanDerWaalsContact O-N 3.16Å; V125-K127 PolarHBondContact O-N 2.72Å
128	K	98.4	Very high	98.5	Very high	144 Å²	144	65.1 Å²	65.1	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-69.7	-39.6	174.4	-68.1	174.7	178.8	179.7	0	111.3	N124 V125 A130	N124-K128 PolarHBondContact O-N 2.91Å; V125-K128 WeakPolarHBondContact O-CA 3.44Å; V125-K128 WeakPolarHBondContact O-CB 3.37Å; V125-K128 PolarHBondContact O-N 2.83Å; K128-A130 PolarHBondContact O-N 2.9Å; K128-A130 VanDerWaalsContact O-N 3.07Å
129	E	98.2	Very high	98.5	Very high	42 Å²	42	68 Å²	68	20%	0.196	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	21.5	175.9	-65.3	-70.9	135.2	0	0	113.4	I73 R83 V91 F93 V125 A126 L131	I73-E129 HydrophobicContact CD1-CG 4.38Å; R83-E129 IonicContact CZ-OE1 2.78Å; R83-E129 IonicContact CZ-OE2 2.72Å; R83-E129 IonicContact NH1-OE1 3.53Å; R83-E129 IonicContact NH1-OE2 3.39Å; R83-E129 PolarHBondContact NH1-OE2 3.08Å; R83-E129 IonicContact NH2-OE1 3.97Å; R83-E129 PolarHBondContact NH2-OE1 2.86Å; R83-E129 IonicContact NH2-OE2 2.93Å; R83-E129 PolarHBondContact NH2-OE2 3.15Å; V91-E129 HydrophobicContact CG1-CB 3.99Å; V91-E129 HydrophobicContact CG1-CG 4.29Å; F93-E129 HydrophobicContact CD1-CG 4.41Å; F93-E129 HydrophobicContact CE1-CG 4.22Å; V125-E129 HydrophobicContact CG1-CG 4.2Å; V125-E129 WeakPolarHBondContact O-CG 3.42Å; V125-E129 PolarHBondContact O-N 3.05Å; A126-E129 CarbonylContact O-C 3.07Å; A126-E129 PolarHBondContact O-N 3.46Å; E129-L131 HydrophobicContact CB-CG 4.38Å; E129-L131 PolarHBondContact O-N 2.84Å; E129-L131 VanDerWaalsContact O-N 3.09Å
130	A	98.1	Very high	98.5	Very high	62 Å²	62	65.9 Å²	65.9	51%	0.512	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	26.3	175.4	0	0	0	0	0	116.6	K128 H132	K128-A130 PolarHBondContact O-N 2.9Å; K128-A130 VanDerWaalsContact O-N 3.07Å; A130-H132 PolarHBondContact O-CD2 3.11Å; A130-H132 PolarHBondContact O-N 3.27Å
131	L	98.2	Very high	98.5	Very high	15 Å²	15	65.2 Å²	65.2	8%	0.079	33%	0.325	C	S	.	.			trans	-78	57.3	-179	-59.3	-175.9	0	0	0	112.9	V91 A126 E129 G134 Y135 V156 G159	V91-L131 HydrophobicContact CB-CD1 4.24Å; V91-L131 HydrophobicContact CB-CD2 3.94Å; V91-L131 HydrophobicContact CB-CG 4.49Å; V91-L131 HydrophobicContact CG1-CD1 3.96Å; V91-L131 HydrophobicContact CG1-CD2 4.42Å; V91-L131 HydrophobicContact CG1-CG 4.45Å; V91-L131 HydrophobicContact CG2-CD2 3.81Å; A126-L131 HydrophobicContact CB-CB 4.37Å; A126-L131 HydrophobicContact CB-CD1 4.06Å; A126-L131 WeakPolarHBondContact O-CB 3.35Å; A126-L131 PolarHBondContact O-N 3.31Å; E129-L131 HydrophobicContact CB-CG 4.38Å; E129-L131 PolarHBondContact O-N 2.84Å; E129-L131 VanDerWaalsContact O-N 3.09Å; L131-G134 PolarHBondContact O-N 3.25Å; L131-Y135 HydrophobicContact CB-CD1 3.87Å; L131-Y135 HydrophobicContact CD1-CD1 4.41Å; L131-Y135 HydrophobicContact CD1-CG 4.33Å; L131-V156 HydrophobicContact CD1-CG1 4.45Å; L131-G159 VanDerWaalsContact CD2-N 3.33Å
132	H	96.4	Very high	98.3	Very high	148 Å²	148	65.4 Å²	65.4	69%	0.685	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-29.8	-174	-57.3	-43.8	0	0	0	113.8	A130 G134	A130-H132 PolarHBondContact O-CD2 3.11Å; A130-H132 PolarHBondContact O-N 3.27Å; H132-G134 PolarHBondContact O-N 3.22Å
133	E	97.9	Very high	98.1	Very high	202 Å²	202	71.1 Å²	71.1	94%	0.944	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	3.7	176.4	-58.3	-172.5	139.7	0	0	113.1
134	G	98.3	Very high	98	Very high	42 Å²	42	75.8 Å²	75.8	43%	0.433	38%	0.375	S	S	.	.			trans	101.1	174.9	-178.2	0	0	0	0	0	113.9	L131 H132	L131-G134 PolarHBondContact O-N 3.25Å; H132-G134 PolarHBondContact O-N 3.22Å
135	Y	98.9	Very high	97.9	Very high	83 Å²	83	74.1 Å²	74.1	33%	0.325	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	168.8	-173.5	54.8	-96.6	0	0	0	109.8	K123 A126 L131 M137 V156 L157	K123-Y135 WeakPolarHBondContact CB-OH 3.34Å; K123-Y135 WeakPolarHBondContact CG-OH 3.13Å; A126-Y135 HydrophobicContact CB-CD1 3.74Å; A126-Y135 HydrophobicContact CB-CD2 4.48Å; A126-Y135 HydrophobicContact CB-CE1 3.56Å; A126-Y135 HydrophobicContact CB-CE2 4.35Å; A126-Y135 HydrophobicContact CB-CG 4.21Å; L131-Y135 HydrophobicContact CB-CD1 3.87Å; L131-Y135 HydrophobicContact CD1-CD1 4.41Å; L131-Y135 HydrophobicContact CD1-CG 4.33Å; Y135-M137 HydrophobicContact CD2-CG 4.3Å; Y135-M137 HydrophobicContact CE2-CE 3.68Å; Y135-M137 HydrophobicContact CE2-CG 4.04Å; Y135-V156 HydrophobicContact CD2-CG1 3.92Å; Y135-V156 HydrophobicContact CG-CG1 4.3Å; Y135-L157 CarbonylContact C-O 3.58Å; Y135-L157 VanDerWaalsContact CA-O 3.25Å; Y135-L157 WeakPolarHBondContact CA-O 3.24Å; Y135-L157 VanDerWaalsContact CB-O 3.24Å; Y135-L157 WeakPolarHBondContact CB-O 3.25Å
136	R	98.9	Very high	97.8	Very high	62 Å²	62	76.6 Å²	76.6	23%	0.234	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.3	171.7	-176.5	175.6	-66.9	161.1	0.8	109.8	V138 V156 L157 L162 N163	R136-V138 HydrophobicContact CG-CG2 3.8Å; R136-V156 WeakPolarHBondContact O-CA 3.2Å; R136-L157 PolarHBondContact N-O 3.33Å; R136-L157 PolarHBondContact O-N 3.34Å; R136-L162 HydrophobicContact CB-CD1 3.33Å; R136-L162 HydrophobicContact CG-CD1 4.49Å; R136-N163 PolarHBondContact NH1-O 2.88Å; R136-N163 PolarHBondContact NH2-O 2.93Å
137	M	98.8	Very high	97.7	Very high	58 Å²	58	76.7 Å²	76.7	29%	0.286	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	140.9	161.9	-61.1	-170.3	-176.7	0	0	109	L119 A122 K123 Y135 I154 H155 V156	L119-M137 HydrophobicContact CD2-SD 3.65Å; A122-M137 HydrophobicContact CB-CE 3.47Å; A122-M137 VanDerWaalsContact CB-CE 3.47Å; A122-M137 HydrophobicContact CB-SD 3.99Å; K123-M137 HydrophobicContact CB-CE 4.04Å; Y135-M137 HydrophobicContact CD2-CG 4.3Å; Y135-M137 HydrophobicContact CE2-CE 3.68Å; Y135-M137 HydrophobicContact CE2-CG 4.04Å; M137-I154 HydrophobicContact CB-CG2 4Å; M137-I154 HydrophobicContact CG-CG2 4.36Å; M137-I154 HydrophobicContact SD-CG2 4.34Å; M137-H155 CarbonylContact C-O 3.59Å; M137-H155 VanDerWaalsContact CA-O 3.26Å; M137-H155 WeakPolarHBondContact CA-O 3.29Å; M137-V156 HydrophobicContact CG-CG2 4.37Å
138	V	98.8	Very high	97.6	Very high	38 Å²	38	71.2 Å²	71.2	23%	0.23	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.5	175.1	-170.5	0	0	0	0	109.4	R136 N140 H155 L157	R136-V138 HydrophobicContact CG-CG2 3.8Å; V138-N140 VanDerWaalsContact CG1-OD1 3.29Å; V138-N140 WeakPolarHBondContact CG1-OD1 3.46Å; V138-H155 HydrophobicContact CB-CB 4.24Å; V138-H155 PolarHBondContact N-O 2.99Å; V138-H155 PolarHBondContact O-N 3.38Å; V138-L157 HydrophobicContact CG2-CD1 3.88Å
139	I	98.8	Very high	97.5	Very high	63 Å²	63	65.4 Å²	65.4	32%	0.323	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.3	169.1	-57.4	179.1	0	0	0	106.6	I104 L152 I154	I104-I139 HydrophobicContact CB-CG2 3.81Å; I104-I139 HydrophobicContact CG1-CG2 4.26Å; I104-I139 HydrophobicContact CG2-CG2 3.85Å; I139-L152 HydrophobicContact CG2-CD1 3.83Å; I139-I154 HydrophobicContact CD1-CD1 4.12Å; I139-I154 HydrophobicContact CD1-CG1 3.92Å; I139-I154 HydrophobicContact CG1-CB 4.33Å; I139-I154 HydrophobicContact CG1-CG1 3.97Å; I139-I154 HydrophobicContact CG1-CG2 4.18Å
140	N	98.6	Very high	97.4	Very high	36 Å²	36	65 Å²	65	19%	0.193	35%	0.349	C	S	.	.			trans	-101.3	125.5	-176.4	-70.7	-24.2	0	0	0	109.7	V138 G145 Q147 H155	V138-N140 VanDerWaalsContact CG1-OD1 3.29Å; V138-N140 WeakPolarHBondContact CG1-OD1 3.46Å; N140-G145 WeakPolarHBondContact CB-O 3.49Å; N140-G145 PolarHBondContact OD1-O 2.81Å; N140-Q147 HydrophobicContact CB-CB 4.08Å; N140-Q147 HydrophobicContact CB-CG 4.48Å; N140-Q147 WeakPolarHBondContact O-CG 3.22Å; N140-Q147 PolarHBondContact O-OE1 3.41Å; N140-H155 PolarHBondContact ND2-NE2 2.82Å; N140-H155 VanDerWaalsContact ND2-NE2 3.14Å
141	D	98.3	Very high	97.4	Very high	59 Å²	59	62 Å²	62	32%	0.316	32%	0.324	S	S	.	.			trans	-108.7	118.9	176.3	-164.6	85.9	0	0	0	112	K103 I104 S105 G145	K103-D141 WeakPolarHBondContact CB-OD1 3.41Å; I104-D141 HydrophobicContact CG2-CB 3.75Å; I104-D141 VanDerWaalsContact CG2-OD1 3.28Å; I104-D141 WeakPolarHBondContact CG2-OD1 3.23Å; I104-D141 PolarHBondContact N-OD1 2.87Å; S105-D141 WeakPolarHBondContact CB-OD1 3.34Å; S105-D141 PolarHBondContact N-OD1 3.48Å; S105-D141 VanDerWaalsContact OG-CG 3.26Å; S105-D141 PolarHBondContact OG-OD1 2.94Å; S105-D141 PolarHBondContact OG-OD2 3.47Å; S105-D141 VanDerWaalsContact OG-OD2 3.12Å; D141-G145 WeakPolarHBondContact O-CA 3.14Å; D141-G145 PolarHBondContact O-N 3.41Å
142	G	95.3	Very high	97.4	Very high	7 Å²	7	61.5 Å²	61.5	7%	0.072	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	-147.6	172.6	0	0	0	0	0	114.4	A146 Q147	G142-A146 PolarHBondContact O-N 2.94Å; G142-Q147 WeakPolarHBondContact O-CB 3.46Å; G142-Q147 PolarHBondContact O-N 3.08Å
143	K	95.1	Very high	97.5	Very high	120 Å²	120	54.6 Å²	54.6	52%	0.522	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-43.6	-171.4	-171	177.3	-165.5	128.7	0	113.8	V42 E46 A146	V42-K143 HydrophobicContact CG1-CB 4.4Å; V42-K143 HydrophobicContact CG1-CG 4.18Å; E46-K143 IonicContact OE1-NZ 3.62Å; E46-K143 IonicContact OE2-NZ 3.77Å; E46-K143 PolarHBondContact OE2-NZ 3.02Å; K143-A146 PolarHBondContact O-N 2.91Å
144	H	95.8	Very high	97.5	Very high	192 Å²	192	45.2 Å²	45.2	89%	0.889	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-23.7	-174.9	-73.4	-71	0	0	0	113.3
145	G	97.3	Very high	97.6	Very high	28 Å²	28	44.2 Å²	44.2	29%	0.289	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.4	164.4	0	0	0	0	0	114.1	N140 D141 Q147	N140-G145 WeakPolarHBondContact CB-O 3.49Å; N140-G145 PolarHBondContact OD1-O 2.81Å; D141-G145 WeakPolarHBondContact O-CA 3.14Å; D141-G145 PolarHBondContact O-N 3.41Å; G145-Q147 VanDerWaalsContact C-N 3.33Å; G145-Q147 PolarHBondContact O-N 3.15Å
146	A	96.6	Very high	97.6	Very high	55 Å²	55	40.2 Å²	40.2	46%	0.455	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	40.5	-173.4	0	0	0	0	0	114.3	V42 G142 K143 S148	V42-A146 HydrophobicContact CG2-CB 4.01Å; G142-A146 PolarHBondContact O-N 2.94Å; K143-A146 PolarHBondContact O-N 2.91Å; A146-S148 PolarHBondContact O-N 2.85Å
147	Q	97.6	Very high	97.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.208	C	C	.	.			trans	-67.5	111.1	177.2	-168.5	-173.3	-2	0	0	111	P102 N140 G142 G145 V149 Y150	P102-Q147 PolarHBondContact O-NE2 2.92Å; N140-Q147 HydrophobicContact CB-CB 4.08Å; N140-Q147 HydrophobicContact CB-CG 4.48Å; N140-Q147 WeakPolarHBondContact O-CG 3.22Å; N140-Q147 PolarHBondContact O-OE1 3.41Å; G142-Q147 WeakPolarHBondContact O-CB 3.46Å; G142-Q147 PolarHBondContact O-N 3.08Å; G145-Q147 VanDerWaalsContact C-N 3.33Å; G145-Q147 PolarHBondContact O-N 3.15Å; Q147-V149 WeakPolarHBondContact CG-O 3.26Å; Q147-V149 PolarHBondContact NE2-O 3.42Å; Q147-Y150 HydrophobicContact CB-CE1 4.34Å; Q147-Y150 HydrophobicContact CG-CD1 4.16Å; Q147-Y150 HydrophobicContact CG-CE1 4.37Å
148	S	94.8	Very high	97.6	Very high	38 Å²	38	35.6 Å²	35.6	27%	0.266	20%	0.195	S	C	.	.			trans	-88	-15	-177.2	56.2	0	0	0	0	114.8	A146	A146-S148 PolarHBondContact O-N 2.85Å
149	V	96.2	Very high	97.5	Very high	22 Å²	22	36.2 Å²	36.2	13%	0.133	21%	0.209	C	C	.	.	S	Bend	trans	-136.5	126.2	174.7	-176	0	0	0	0	109.9	T58 I59 F60 Q147 H151 H153	T58-V149 HydrophobicContact CG2-CG1 4.39Å; I59-V149 HydrophobicContact CG2-CG1 4Å; I59-V149 HydrophobicContact CG2-CG2 3.8Å; F60-V149 HydrophobicContact CD1-CG1 4.34Å; F60-V149 HydrophobicContact CD2-CB 4.27Å; F60-V149 HydrophobicContact CD2-CG1 3.77Å; F60-V149 HydrophobicContact CE1-CB 4.39Å; F60-V149 HydrophobicContact CE1-CG1 4.35Å; F60-V149 HydrophobicContact CE1-CG2 3.97Å; F60-V149 HydrophobicContact CE2-CB 3.73Å; F60-V149 HydrophobicContact CE2-CG1 3.76Å; F60-V149 HydrophobicContact CE2-CG2 4.16Å; F60-V149 HydrophobicContact CG-CG1 4.04Å; F60-V149 HydrophobicContact CZ-CB 3.79Å; F60-V149 HydrophobicContact CZ-CG1 4.06Å; F60-V149 HydrophobicContact CZ-CG2 3.68Å; Q147-V149 WeakPolarHBondContact CG-O 3.26Å; Q147-V149 PolarHBondContact NE2-O 3.42Å; V149-H151 HydrophobicContact CG1-CB 4.17Å; V149-H151 PolarHBondContact O-N 2.93Å; V149-H153 PolarHBondContact O-CE1 2.77Å; V149-H153 VanDerWaalsContact O-CE1 3.28Å
150	Y	96.8	Very high	97.5	Very high	33 Å²	33	39 Å²	39	13%	0.129	22%	0.216	C	C	.	.	S	Bend	trans	-84.2	60.5	177.7	-74.6	15.4	0	0	0	111.2	A45 E46 S49 T58 P102 Q147	A45-Y150 HydrophobicContact CB-CD1 3.83Å; A45-Y150 HydrophobicContact CB-CE1 3.79Å; E46-Y150 WeakPolarHBondContact CG-OH 3.46Å; S49-Y150 VanDerWaalsContact CB-CD2 3.47Å; T58-Y150 WeakPolarHBondContact CG2-O 3.49Å; P102-Y150 WeakPolarHBondContact CA-O 3.47Å; P102-Y150 CarbonylContact O-C 3.51Å; P102-Y150 VanDerWaalsContact O-CA 3.29Å; P102-Y150 WeakPolarHBondContact O-CA 3.35Å; Q147-Y150 HydrophobicContact CB-CE1 4.34Å; Q147-Y150 HydrophobicContact CG-CD1 4.16Å; Q147-Y150 HydrophobicContact CG-CE1 4.37Å
151	H	97.7	Very high	97.5	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.242	C	C	.	.	S	Bend	trans	-145.6	127.6	166.4	-174.4	131.5	0	0	0	104.7	T58 F60 P97 I101 P102 V149 H153	T58-H151 HydrophobicContact CG2-CB 3.97Å; F60-H151 HydrophobicContact CB-CB 4.25Å; F60-H151 HydrophobicContact CD2-CB 3.86Å; F60-H151 HydrophobicContact CG-CB 4.49Å; P97-H151 PolarHBondContact O-NE2 2.66Å; I101-H151 CarbonylContact O-C 3.59Å; I101-H151 WeakPolarHBondContact O-CA 3.34Å; P102-H151 PolarHBondContact O-N 3.4Å; V149-H151 HydrophobicContact CG1-CB 4.17Å; V149-H151 PolarHBondContact O-N 2.93Å; H151-H153 PolarHBondContact O-N 2.79Å; H151-H153 PolarHBondContact O-ND1 2.77Å
152	L	98.3	Very high	97.5	Very high	3 Å²	3	43 Å²	43	2%	0.016	23%	0.232	C	C	.	.			trans	-55.4	128.4	-171.4	177.2	61.7	0	0	0	111.1	P97 I101 I104 V107 L115 L118 I139	P97-L152 WeakPolarHBondContact CD-O 3.44Å; P97-L152 HydrophobicContact CG-CB 4.16Å; P97-L152 HydrophobicContact CG-CD2 4.43Å; I101-L152 HydrophobicContact CB-CB 4.19Å; I101-L152 HydrophobicContact CG2-CB 4.15Å; I101-L152 HydrophobicContact CG2-CD2 4.15Å; I101-L152 WeakPolarHBondContact O-CB 3.4Å; I101-L152 PolarHBondContact O-N 3.44Å; I104-L152 HydrophobicContact CB-CD1 3.94Å; I104-L152 HydrophobicContact CD1-CD1 4.2Å; I104-L152 HydrophobicContact CD1-CD2 4.49Å; V107-L152 HydrophobicContact CG1-CD2 4.45Å; L115-L152 HydrophobicContact CD2-CD2 3.7Å; L118-L152 HydrophobicContact CD1-CD2 4.22Å; I139-L152 HydrophobicContact CG2-CD1 3.83Å
153	H	98.7	Very high	97.6	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.019	26%	0.258	C	S	.	.			trans	-141.7	136	179.7	51.1	-78.7	0	0	0	111.2	F60 V95 I96 V149 H151 H155	F60-H153 HydrophobicContact CE2-CB 3.86Å; F60-H153 AromaticContact CE2-CG 3.82Å; F60-H153 AromaticContact CE2-ND1 3.66Å; V95-H153 WeakPolarHBondContact O-CA 3.39Å; I96-H153 HydrophobicContact CG2-CB 3.77Å; V149-H153 PolarHBondContact O-CE1 2.77Å; V149-H153 VanDerWaalsContact O-CE1 3.28Å; H151-H153 PolarHBondContact O-N 2.79Å; H151-H153 PolarHBondContact O-ND1 2.77Å; H153-H155 AromaticContact CD2-CD2 3.77Å; H153-H155 AromaticContact CD2-CE1 3.8Å; H153-H155 AromaticContact CD2-NE2 3.33Å; H153-H155 PolarHBondContact CD2-NE2 2.83Å; H153-H155 VanDerWaalsContact CD2-NE2 3.33Å; H153-H155 AromaticContact NE2-NE2 3.46Å; H153-H155 PolarHBondContact NE2-NE2 2.84Å
154	I	98.9	Very high	97.7	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	108.9	168.7	-45.5	-170.4	0	0	0	107.3	L94 V95 L118 L119 M137 I139	L94-I154 CarbonylContact C-O 3.58Å; L94-I154 WeakPolarHBondContact CA-O 3.38Å; V95-I154 HydrophobicContact CB-CB 4.44Å; V95-I154 PolarHBondContact N-O 2.58Å; V95-I154 PolarHBondContact O-N 3.12Å; L118-I154 HydrophobicContact CB-CD1 3.68Å; L119-I154 HydrophobicContact CD2-CD1 3.86Å; L119-I154 HydrophobicContact CG-CD1 4.21Å; M137-I154 HydrophobicContact CB-CG2 4Å; M137-I154 HydrophobicContact CG-CG2 4.36Å; M137-I154 HydrophobicContact SD-CG2 4.34Å; I139-I154 HydrophobicContact CD1-CD1 4.12Å; I139-I154 HydrophobicContact CD1-CG1 3.92Å; I139-I154 HydrophobicContact CG1-CB 4.33Å; I139-I154 HydrophobicContact CG1-CG1 3.97Å; I139-I154 HydrophobicContact CG1-CG2 4.18Å
155	H	98.8	Very high	97.8	Very high	21 Å²	21	47.5 Å²	47.5	10%	0.097	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.5	166.2	-60.3	-91.1	0	0	0	109.1	D84 H92 L94 M137 V138 N140 H153 L157	D84-H155 IonicContact OD2-ND1 2.68Å; H92-H155 AromaticContact CE1-ND1 3.55Å; H92-H155 AromaticContact NE2-CG 3.7Å; H92-H155 AromaticContact NE2-ND1 3.08Å; H92-H155 PolarHBondContact NE2-ND1 3.34Å; L94-H155 HydrophobicContact CD2-CB 4.28Å; L94-H155 WeakPolarHBondContact CD2-ND1 3.37Å; M137-H155 CarbonylContact C-O 3.59Å; M137-H155 VanDerWaalsContact CA-O 3.26Å; M137-H155 WeakPolarHBondContact CA-O 3.29Å; V138-H155 HydrophobicContact CB-CB 4.24Å; V138-H155 PolarHBondContact N-O 2.99Å; V138-H155 PolarHBondContact O-N 3.38Å; N140-H155 PolarHBondContact ND2-NE2 2.82Å; N140-H155 VanDerWaalsContact ND2-NE2 3.14Å; H153-H155 AromaticContact CD2-CD2 3.77Å; H153-H155 AromaticContact CD2-CE1 3.8Å; H153-H155 AromaticContact CD2-NE2 3.33Å; H153-H155 PolarHBondContact CD2-NE2 2.83Å; H153-H155 VanDerWaalsContact CD2-NE2 3.33Å; H153-H155 AromaticContact NE2-NE2 3.46Å; H153-H155 PolarHBondContact NE2-NE2 2.84Å; H155-L157 HydrophobicContact CB-CD1 3.81Å
156	V	98.9	Very high	97.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119.1	169.8	-172.6	0	0	0	0	108.9	H92 F93 A122 A126 L131 Y135 R136 M137	H92-V156 WeakPolarHBondContact CA-O 3.33Å; F93-V156 HydrophobicContact CD1-CB 4.12Å; F93-V156 HydrophobicContact CD2-CB 4.07Å; F93-V156 HydrophobicContact CD2-CG2 4.11Å; F93-V156 HydrophobicContact CE1-CB 3.71Å; F93-V156 HydrophobicContact CE1-CG1 3.72Å; F93-V156 HydrophobicContact CE1-CG2 4.41Å; F93-V156 HydrophobicContact CE2-CB 3.66Å; F93-V156 HydrophobicContact CE2-CG1 4.27Å; F93-V156 HydrophobicContact CE2-CG2 3.49Å; F93-V156 VanDerWaalsContact CE2-CG2 3.49Å; F93-V156 HydrophobicContact CG-CB 4.28Å; F93-V156 HydrophobicContact CZ-CB 3.46Å; F93-V156 VanDerWaalsContact CZ-CB 3.46Å; F93-V156 HydrophobicContact CZ-CG1 3.57Å; F93-V156 HydrophobicContact CZ-CG2 3.66Å; F93-V156 PolarHBondContact N-O 2.91Å; F93-V156 VanDerWaalsContact N-O 3.15Å; F93-V156 PolarHBondContact O-N 2.93Å; A122-V156 HydrophobicContact CB-CG2 3.87Å; A126-V156 HydrophobicContact CB-CG1 4.23Å; L131-V156 HydrophobicContact CD1-CG1 4.45Å; Y135-V156 HydrophobicContact CD2-CG1 3.92Å; Y135-V156 HydrophobicContact CG-CG1 4.3Å; R136-V156 WeakPolarHBondContact O-CA 3.2Å; M137-V156 HydrophobicContact CG-CG2 4.37Å
157	L	98.9	Very high	97	Very high	22 Å²	22	53.1 Å²	53.1	12%	0.115	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.8	-174.3	-57.2	98.2	0	0	0	111.3	Q88 A89 V91 Y135 R136 V138 H155 L162	Q88-L157 HydrophobicContact CB-CD2 3.86Å; A89-L157 HydrophobicContact CB-CB 4.15Å; A89-L157 HydrophobicContact CB-CD2 4.45Å; V91-L157 WeakPolarHBondContact O-CA 3.46Å; Y135-L157 CarbonylContact C-O 3.58Å; Y135-L157 VanDerWaalsContact CA-O 3.25Å; Y135-L157 WeakPolarHBondContact CA-O 3.24Å; Y135-L157 VanDerWaalsContact CB-O 3.24Å; Y135-L157 WeakPolarHBondContact CB-O 3.25Å; R136-L157 PolarHBondContact N-O 3.33Å; R136-L157 PolarHBondContact O-N 3.34Å; V138-L157 HydrophobicContact CG2-CD1 3.88Å; H155-L157 HydrophobicContact CB-CD1 3.81Å; L157-L162 HydrophobicContact CB-CD1 4.15Å
158	G	98.7	Very high	97	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	-169.3	178.3	0	0	0	0	0	114.2	A89 P90 V91 R160	A89-G158 WeakPolarHBondContact CB-O 3.45Å; P90-G158 WeakPolarHBondContact CD-O 3.41Å; V91-G158 PolarHBondContact N-O 2.8Å; V91-G158 VanDerWaalsContact N-O 3.08Å; V91-G158 PolarHBondContact O-N 3.43Å; G158-R160 VanDerWaalsContact C-N 3.29Å
159	G	98.3	Very high	97.1	Very high	51 Å²	51	56.7 Å²	56.7	53%	0.526	32%	0.324	S	S	.	.	S	Bend	trans	79	9.3	-176.3	0	0	0	0	0	114.3	L131	L131-G159 VanDerWaalsContact CD2-N 3.33Å
160	R	98.4	Very high	97.2	Very high	120 Å²	120	58.6 Å²	58.6	45%	0.453	34%	0.335	S	S	.	.	S	Bend	trans	-158.2	161.7	170.3	64.4	173.5	-177.1	91.1	-9.2	110.2	Q88 A89 P90 G158 L162	Q88-R160 PolarHBondContact O-NE 3Å; Q88-R160 PolarHBondContact O-NH2 2.8Å; A89-R160 HydrophobicContact CB-CG 4.23Å; P90-R160 HydrophobicContact CG-CB 4.39Å; G158-R160 VanDerWaalsContact C-N 3.29Å; R160-L162 HydrophobicContact CG-CD2 4.16Å; R160-L162 PolarHBondContact O-N 3.34Å
161	Q	98.4	Very high	97.2	Very high	159 Å²	159	60.1 Å²	60.1	74%	0.743	35%	0.347	S	S	*	.			trans	-57.6	135.7	164.3	-176.5	58.6	55.2	0	0	110.3
162	L	98.3	Very high	97.2	Very high	22 Å²	22	63.8 Å²	63.8	12%	0.115	37%	0.368	C	S	.	.			trans	-106.2	139	175.1	-59.8	179.2	0	0	0	109.9	R136 L157 R160	R136-L162 HydrophobicContact CB-CD1 3.33Å; R136-L162 HydrophobicContact CG-CD1 4.49Å; L157-L162 HydrophobicContact CB-CD1 4.15Å; R160-L162 HydrophobicContact CG-CD2 4.16Å; R160-L162 PolarHBondContact O-N 3.34Å
163	N	97.9	Very high	97.1	Very high	115 Å²	115	67.9 Å²	67.9	62%	0.615	39%	0.392	S	S	*	.			trans	-81.3	167.8	-174.8	-64.3	-5	0	0	0	112	R136	R136-N163 PolarHBondContact NH1-O 2.88Å; R136-N163 PolarHBondContact NH2-O 2.93Å
164	W	96.6	Very high	97	Very high	210 Å²	210	72.4 Å²	72.4	80%	0.795	42%	0.418	S	S	*	.	S	Bend	trans	-123.4	138.2	167.3	-168.2	-99.4	0	0	0	108.7	P166	W164-P166 HydrophobicContact CE3-CB 4.29Å; W164-P166 HydrophobicContact CE3-CG 4.24Å; W164-P166 HydrophobicContact CH2-CG 3.99Å; W164-P166 HydrophobicContact CZ3-CB 4.02Å; W164-P166 HydrophobicContact CZ3-CG 3.74Å
165	P	97.2	Very high	96.8	Very high	88 Å²	88	77.7 Å²	77.7	57%	0.571	45%	0.449	S	S	*	.	S	Bend	cis	-61.2	167.7	-1.1	28	-36.6	0	0	0	113.9	G167	P165-G167 PolarHBondContact O-N 3.2Å
166	P	94.8	Very high	96.7	Very high	73 Å²	73	82.4 Å²	82.4	47%	0.474	48%	0.478	S	S	.	.			trans	-84.5	25.4	-175.5	36.1	-35.7	0	0	0	114.2	W164	W164-P166 HydrophobicContact CE3-CB 4.29Å; W164-P166 HydrophobicContact CE3-CG 4.24Å; W164-P166 HydrophobicContact CH2-CG 3.99Å; W164-P166 HydrophobicContact CZ3-CB 4.02Å; W164-P166 HydrophobicContact CZ3-CG 3.74Å
167	G	83.6	Confident	96.5	Very high	128 Å²	128	89.9 Å²	89.9	100%	1.32	52%	0.522	S	S	*	.			trans	-166.8	0	177.3	0	0	0	0	0	109.5	P165	P165-G167 PolarHBondContact O-N 3.2Å

Retrieved 167 of 167 residues in 786.3 ms (Link to these results)

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