A0A077ZBD2_TRITR Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A077ZBD2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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	28.2	Very low	24.5	Very low	252 Å²	252	164.3 Å²	164.3	100%	1.241	88%	0.876	S	S	*	*				0	112.2	0	-65	176.9	-173.7	0	0	106.4
2	A	24.8	Very low	24.6	Very low	94 Å²	94	156.8 Å²	156.8	78%	0.777	87%	0.867	S	S	*	*			cis	-145.1	129.8	8.3	0	0	0	0	0	110.6
3	H	22.4	Very low	24.6	Very low	179 Å²	179	159.7 Å²	159.7	83%	0.829	87%	0.865	S	S	*	*			trans	44	108.4	135.2	-88.1	-79.2	0	0	0	122
4	V	22.7	Very low	24.5	Very low	141 Å²	141	157.3 Å²	157.3	86%	0.855	86%	0.862	S	S	*	*			trans	-87	137.4	149.3	175.8	0	0	0	0	107.6
5	Q	24.9	Very low	24.6	Very low	170 Å²	170	160.2 Å²	160.2	79%	0.794	86%	0.863	S	S	*	*			trans	-122.2	113.5	166.1	-91.8	-173.8	-44.4	0	0	110.6
6	D	23	Very low	24.4	Very low	132 Å²	132	156.9 Å²	156.9	71%	0.706	86%	0.857	S	S	*	*			trans	34.5	110.5	140.1	-66.8	-35	0	0	0	120.9
7	L	24.6	Very low	24.5	Very low	174 Å²	174	156.2 Å²	156.2	91%	0.911	86%	0.858	S	S	*	*			trans	-140.8	95.8	132.5	-83	173.7	0	0	0	108.1
8	S	24	Very low	24.5	Very low	110 Å²	110	153.5 Å²	153.5	77%	0.769	85%	0.852	S	S	*	*			trans	-79.3	136	178.8	50.5	0	0	0	0	111.7
9	W	23.5	Very low	24.5	Very low	250 Å²	250	148.5 Å²	148.5	95%	0.947	84%	0.839	S	S	*	*			trans	-79.7	136.9	168.9	-70.3	68.3	0	0	0	109.6
10	S	26.6	Very low	24.6	Very low	122 Å²	122	147.8 Å²	147.8	85%	0.853	84%	0.838	S	S	*	*			trans	-117.3	122.5	164.3	52.2	0	0	0	0	110.7
11	L	24.4	Very low	24.6	Very low	183 Å²	183	146.5 Å²	146.5	96%	0.958	83%	0.829	S	S	*	*			trans	-64.5	142.5	-179.4	-74.9	143.5	0	0	0	112.7
12	G	26	Very low	24.6	Very low	74 Å²	74	139.3 Å²	139.3	76%	0.763	80%	0.8	S	S	*	*			trans	-153.3	70.8	172.8	0	0	0	0	0	114.2
13	K	25	Very low	24.7	Very low	195 Å²	195	139 Å²	139	85%	0.848	78%	0.782	S	S	*	*			trans	51.9	139.4	158	-66.6	-174.3	179.9	-178.5	0	121.1
14	P	23.5	Very low	24.9	Very low	126 Å²	126	140.7 Å²	140.7	82%	0.818	78%	0.781	S	S	*	*			trans	-78	136.9	-176.9	33.9	-32.5	0	0	0	111
15	F	24.8	Very low	25.2	Very low	201 Å²	201	141.4 Å²	141.4	88%	0.882	78%	0.78	S	S	*	*			trans	-106.8	133.1	164.6	-99.3	-90.8	0	0	0	110.1	V17	F15-V17 PolarHBondContact O-N 3.2Å
16	S	22.8	Very low	25.5	Very low	108 Å²	108	140.3 Å²	140.3	76%	0.755	78%	0.779	S	S	*	*			trans	-67.8	121.1	-177.5	-169.9	0	0	0	0	110.8	S18	S16-S18 PolarHBondContact O-N 3.41Å
17	V	25.8	Very low	25.6	Very low	144 Å²	144	139.1 Å²	139.1	87%	0.873	77%	0.773	S	S	*	*			trans	-84.9	88.3	170.2	-173.9	0	0	0	0	108	F15	F15-V17 PolarHBondContact O-N 3.2Å
18	S	23.9	Very low	25.6	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	77%	0.768	S	S	*	*			trans	-96.5	111.4	160.6	59.4	0	0	0	0	108.5	S16	S16-S18 PolarHBondContact O-N 3.41Å
19	G	24.7	Very low	25.6	Very low	59 Å²	59	139.7 Å²	139.7	61%	0.608	77%	0.77	S	S	*	*	S	Bend	trans	148.2	85.9	167.3	0	0	0	0	0	115.1
20	V	25.6	Very low	25.6	Very low	134 Å²	134	134 Å²	134	81%	0.812	76%	0.763	S	S	*	*			trans	59.1	84	148.1	-152.9	0	0	0	0	116.3	P22	V20-P22 VanDerWaalsContact O-CD 3.24Å; V20-P22 WeakPolarHBondContact O-CD 3.22Å
21	N	26	Very low	25.5	Very low	121 Å²	121	134.5 Å²	134.5	65%	0.647	76%	0.76	S	S	*	*			trans	-64.5	114.6	156.7	-170.8	-3.6	0	0	0	108.4	F23	N21-F23 PolarHBondContact O-N 2.94Å; N21-F23 PolarHBondContact OD1-N 3.28Å
22	P	27.7	Very low	25.5	Very low	100 Å²	100	130.3 Å²	130.3	65%	0.649	75%	0.746	S	S	*	*			trans	-80.8	3.2	-179	9.1	5.3	0	0	0	113.5	V20	V20-P22 VanDerWaalsContact O-CD 3.24Å; V20-P22 WeakPolarHBondContact O-CD 3.22Å
23	F	27.6	Very low	25.4	Very low	87 Å²	87	134.7 Å²	134.7	38%	0.382	75%	0.752	S	S	.	*	S	Bend	trans	-114.9	124.1	-178.1	-57.2	-78.6	0	0	0	109.8	N21	N21-F23 PolarHBondContact O-N 2.94Å; N21-F23 PolarHBondContact OD1-N 3.28Å
24	R	25.6	Very low	25.5	Very low	215 Å²	215	131.8 Å²	131.8	81%	0.811	75%	0.746	S	S	*	*			trans	-74.8	143	174.8	-79.3	179.5	164.9	174.3	-4.3	108.2	D26 D27	R24-D26 PolarHBondContact O-N 2.97Å; R24-D27 PolarHBondContact O-N 3.46Å; R24-D27 VanDerWaalsContact O-N 3.16Å
25	N	28.8	Very low	25.7	Very low	157 Å²	157	128.6 Å²	128.6	84%	0.84	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	2	-178.6	-90.5	-13.9	0	0	0	115.9
26	D	31.1	Very low	25.8	Very low	146 Å²	146	123.8 Å²	123.8	78%	0.781	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.6	8.8	-176	-62.3	-44.5	0	0	0	113.7	R24 V28	R24-D26 PolarHBondContact O-N 2.97Å; D26-V28 PolarHBondContact O-N 3.19Å
27	D	26.1	Very low	26.1	Very low	108 Å²	108	123.2 Å²	123.2	58%	0.578	72%	0.718	S	S	*	*			trans	-76.9	94.2	179.4	-73.1	-31.5	0	0	0	111.7	R24 M29	R24-D27 PolarHBondContact O-N 3.46Å; R24-D27 VanDerWaalsContact O-N 3.16Å; D27-M29 PolarHBondContact O-N 2.9Å; D27-M29 VanDerWaalsContact O-N 3.15Å
28	V	24.7	Very low	26.3	Very low	132 Å²	132	123.1 Å²	123.1	80%	0.8	71%	0.706	S	S	*	*			trans	-72.8	96.4	169.9	-179.4	0	0	0	0	109.6	D26 T30	D26-V28 PolarHBondContact O-N 3.19Å; V28-T30 PolarHBondContact O-N 3.16Å
29	M	24.3	Very low	26.8	Very low	164 Å²	164	121 Å²	121	81%	0.808	69%	0.689	S	S	*	*			trans	-76.4	117.2	169.6	-75.9	-107.6	-165.7	0	0	110.5	D27	D27-M29 PolarHBondContact O-N 2.9Å; D27-M29 VanDerWaalsContact O-N 3.15Å
30	T	22.9	Very low	27.4	Very low	131 Å²	131	120 Å²	120	80%	0.804	67%	0.67	S	S	*	*			trans	-92.8	122.3	173.2	20.3	0	0	0	0	110.1	V28 S32	V28-T30 PolarHBondContact O-N 3.16Å; T30-S32 PolarHBondContact O-N 2.77Å
31	V	25.1	Very low	28.1	Very low	131 Å²	131	114.1 Å²	114.1	79%	0.794	63%	0.634	S	S	*	*			trans	-73.8	111.1	172.6	178.1	0	0	0	0	108.5	D33	V31-D33 PolarHBondContact O-N 3.29Å
32	S	24.5	Very low	28.7	Very low	95 Å²	95	110.4 Å²	110.4	66%	0.664	61%	0.611	S	S	*	*			trans	-69.3	118.5	176	169.5	0	0	0	0	111.3	T30 N34	T30-S32 PolarHBondContact O-N 2.77Å; S32-N34 PolarHBondContact O-N 3.36Å
33	D	23.7	Very low	29.2	Very low	166 Å²	166	106.9 Å²	106.9	89%	0.888	59%	0.586	S	S	*	*	S	Bend	trans	-66.4	84.3	169.4	-77.1	-38.9	0	0	0	111.2	V31	V31-D33 PolarHBondContact O-N 3.29Å
34	N	25.6	Very low	29.6	Very low	134 Å²	134	103.1 Å²	103.1	72%	0.717	57%	0.569	S	S	*	*			trans	-156.7	50.4	165.3	-144.3	-13.3	0	0	0	113.7	S32	S32-N34 PolarHBondContact O-N 3.36Å
35	V	29.3	Very low	29.8	Very low	60 Å²	60	94.9 Å²	94.9	36%	0.364	55%	0.545	S	S	.	.			trans	-118.4	49.6	-174.8	-162.1	0	0	0	0	111.7	M280	V35-M280 HydrophobicContact CB-CE 4.49Å; V35-M280 HydrophobicContact CG1-CE 3.94Å
36	A	26.3	Very low	30	Very low	100 Å²	100	92.8 Å²	92.8	83%	0.826	53%	0.53	S	S	*	.	S	Bend	trans	-100.5	7.1	178	0	0	0	0	0	114.2
37	S	28.1	Very low	30.5	Very low	96 Å²	96	88.5 Å²	88.5	67%	0.671	52%	0.52	S	S	*	.	S	Bend	trans	-147.5	13.8	-167.6	60.6	0	0	0	0	117.3
38	K	31.1	Very low	30.5	Very low	142 Å²	142	88.9 Å²	88.9	62%	0.617	53%	0.532	S	S	*	.			trans	-122	118.8	-175.6	-67.6	-172.3	179.9	-176.2	0	112.6	R55	K38-R55 VanDerWaalsContact CB-NH1 3.3Å
39	P	33.1	Very low	30.8	Very low	64 Å²	64	84.1 Å²	84.1	42%	0.416	51%	0.509	S	S	.	.			trans	-60.3	161	179.3	-25	36	0	0	0	114.7	W219	P39-W219 HydrophobicContact CB-CE3 4.18Å; P39-W219 HydrophobicContact CB-CH2 3.31Å; P39-W219 HydrophobicContact CB-CZ2 3.57Å; P39-W219 HydrophobicContact CB-CZ3 3.57Å; P39-W219 HydrophobicContact CG-CH2 3.11Å; P39-W219 HydrophobicContact CG-CZ2 3.37Å; P39-W219 HydrophobicContact CG-CZ3 3.87Å
40	L	38.3	Very low	31.4	Very low	37 Å²	37	76.9 Å²	76.9	19%	0.194	47%	0.474	C	S	.	.	S	Bend	trans	-106.2	1.4	-151.8	-73.7	167.4	0	0	0	115.6	R55 C56 M273	L40-R55 HydrophobicContact CD2-CB 4.15Å; L40-R55 PolarHBondContact O-N 3.47Å; L40-C56 HydrophobicContact CD2-CB 4.4Å; L40-M273 HydrophobicContact CB-CG 3.96Å; L40-M273 HydrophobicContact CD1-CG 4.43Å
41	V	39.5	Very low	32.2	Very low	11 Å²	11	72.3 Å²	72.3	7%	0.067	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.1	-172.6	-174.4	0	0	0	0	110	F43 L54 A269 M273	V41-F43 HydrophobicContact CG1-CD2 4.18Å; V41-F43 HydrophobicContact CG1-CE2 3.59Å; V41-F43 HydrophobicContact CG1-CZ 3.86Å; V41-L54 HydrophobicContact CB-CD2 3.96Å; V41-L54 HydrophobicContact CG1-CD2 3.77Å; V41-L54 HydrophobicContact CG2-CD2 3.59Å; V41-A269 HydrophobicContact CB-CB 4.46Å; V41-A269 HydrophobicContact CG1-CB 3.63Å; V41-A269 HydrophobicContact CG2-CB 3.95Å; V41-M273 HydrophobicContact CG2-CE 3.98Å; V41-M273 HydrophobicContact CG2-CG 3.63Å; V41-M273 HydrophobicContact CG2-SD 3.52Å; V41-M273 VanDerWaalsContact CG2-SD 3.52Å
42	Y	39.1	Very low	33.1	Very low	43 Å²	43	66.4 Å²	66.4	17%	0.169	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.8	167.7	-52.3	-85.3	0	0	0	109.6	I52 A53 R55 W219 I221	Y42-I52 CarbonylContact O-C 3.41Å; Y42-I52 VanDerWaalsContact O-CA 3.3Å; Y42-I52 WeakPolarHBondContact O-CA 3.38Å; Y42-A53 WeakPolarHBondContact CA-O 3.48Å; Y42-A53 WeakPolarHBondContact CB-O 3.37Å; Y42-A53 HydrophobicContact CD2-CB 4.39Å; Y42-A53 WeakPolarHBondContact CD2-O 3.45Å; Y42-A53 PolarHBondContact N-O 3.16Å; Y42-A53 PolarHBondContact O-N 2.83Å; Y42-R55 HydrophobicContact CE2-CB 4.32Å; Y42-W219 CarbonylContact C-O 3.28Å; Y42-W219 WeakPolarHBondContact CA-O 3.4Å; Y42-W219 WeakPolarHBondContact CB-O 3.25Å; Y42-W219 HydrophobicContact CD1-CE3 4.42Å; Y42-W219 HydrophobicContact CE1-CE3 4.42Å; Y42-I221 VanDerWaalsContact CB-CD1 3.43Å; Y42-I221 HydrophobicContact CD1-CD1 3.55Å; Y42-I221 HydrophobicContact CD1-CG1 3.8Å; Y42-I221 HydrophobicContact CD2-CD1 4.07Å; Y42-I221 HydrophobicContact CE1-CD1 4.29Å; Y42-I221 HydrophobicContact CG-CD1 3.42Å; Y42-I221 VanDerWaalsContact CG-CD1 3.42Å; Y42-I221 HydrophobicContact CG-CG1 4.05Å
43	F	38	Very low	34.1	Very low	26 Å²	26	62 Å²	62	11%	0.114	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	152.8	171.2	-63.1	-94.3	0	0	0	108.2	V41 V50 C51 I52 I214 W219 V220 I221 L266	V41-F43 HydrophobicContact CG1-CD2 4.18Å; V41-F43 HydrophobicContact CG1-CE2 3.59Å; V41-F43 HydrophobicContact CG1-CZ 3.86Å; F43-V50 HydrophobicContact CD1-CG1 4.32Å; F43-C51 CarbonylContact C-O 3.55Å; F43-C51 WeakPolarHBondContact CA-O 3.24Å; F43-I52 HydrophobicContact CD1-CD1 3.94Å; F43-I52 HydrophobicContact CD1-CG1 3.57Å; F43-I52 HydrophobicContact CE1-CD1 3.58Å; F43-I52 HydrophobicContact CE1-CG1 3.75Å; F43-I52 HydrophobicContact CG-CG1 4.29Å; F43-I52 HydrophobicContact CZ-CD1 4.31Å; F43-I214 HydrophobicContact CB-CG2 4.4Å; F43-W219 HydrophobicContact CD2-CB 4.16Å; F43-W219 PolarHBondContact N-O 3.46Å; F43-V220 HydrophobicContact CB-CG2 4.24Å; F43-V220 CarbonylContact O-C 3.52Å; F43-V220 WeakPolarHBondContact O-CA 3.44Å; F43-I221 PolarHBondContact O-N 2.99Å; F43-L266 HydrophobicContact CE1-CD2 4.05Å; F43-L266 HydrophobicContact CZ-CD2 3.76Å
44	L	37	Very low	35.3	Very low	7 Å²	7	54.5 Å²	54.5	4%	0.037	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.5	176.4	-68.3	148.2	0	0	0	105.9	V50 C51 A53 I221 L226 I252	L44-V50 CarbonylContact O-C 3.55Å; L44-V50 WeakPolarHBondContact O-CA 3.33Å; L44-V50 WeakPolarHBondContact O-CG1 3.4Å; L44-C51 HydrophobicContact CB-CB 3.85Å; L44-C51 HydrophobicContact CD1-CB 3.72Å; L44-C51 HydrophobicContact CG-CB 4.42Å; L44-C51 PolarHBondContact N-O 2.91Å; L44-C51 PolarHBondContact O-N 3.21Å; L44-A53 HydrophobicContact CD1-CB 4.44Å; L44-I221 WeakPolarHBondContact CA-O 3.35Å; L44-I221 HydrophobicContact CD2-CB 3.45Å; L44-I221 VanDerWaalsContact CD2-CB 3.45Å; L44-I221 HydrophobicContact CD2-CG2 3.44Å; L44-I221 VanDerWaalsContact CD2-CG2 3.44Å; L44-I221 WeakPolarHBondContact CD2-O 3.46Å; L44-I221 HydrophobicContact CG-CB 4.21Å; L44-L226 HydrophobicContact CD1-CD1 3.34Å; L44-L226 HydrophobicContact CD2-CD1 3.17Å; L44-L226 HydrophobicContact CD2-CG 3.75Å; L44-L226 HydrophobicContact CG-CD1 3.88Å; L44-I252 HydrophobicContact CD1-CG2 4.25Å
45	S	29.8	Very low	36.1	Very low	42 Å²	42	51 Å²	51	29%	0.294	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.4	173.9	-178	0	0	0	0	108.9
46	E	31.8	Very low	36.7	Very low	113 Å²	113	48.4 Å²	48.4	53%	0.528	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	107.6	164.7	-172.6	-166	-148.4	0	0	108.2	S48 G49 K223	E46-S48 PolarHBondContact O-N 2.8Å; E46-G49 PolarHBondContact N-O 2.9Å; E46-G49 PolarHBondContact O-N 2.9Å; E46-K223 HydrophobicContact CB-CB 4.4Å; E46-K223 HydrophobicContact CB-CD 3.91Å; E46-K223 HydrophobicContact CG-CD 3.86Å; E46-K223 VanDerWaalsContact OE1-CD 3.25Å; E46-K223 WeakPolarHBondContact OE1-CD 3.48Å; E46-K223 IonicContact OE1-NZ 2.67Å; E46-K223 PolarHBondContact OE1-NZ 3.36Å; E46-K223 WeakPolarHBondContact OE2-CD 3.46Å; E46-K223 WeakPolarHBondContact OE2-CE 3.4Å; E46-K223 IonicContact OE2-NZ 2.62Å; E46-K223 PolarHBondContact OE2-NZ 3.17Å
47	G	41.2	Very low	37.5	Very low	56 Å²	56	46.6 Å²	46.6	58%	0.577	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-132.8	-178.3	0	0	0	0	0	112.7	G49 H211	G47-G49 PolarHBondContact O-N 2.93Å; G47-H211 PolarHBondContact O-NE2 2.87Å
48	S	27.8	Very low	38.1	Very low	117 Å²	117	43.8 Å²	43.8	82%	0.818	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	12.7	-180	66.2	0	0	0	0	114.6	E46	E46-S48 PolarHBondContact O-N 2.8Å
49	G	30.6	Very low	38.4	Very low	32 Å²	32	40.8 Å²	40.8	33%	0.33	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.8	-178.2	0	0	0	0	0	112.8	E46 G47	E46-G49 PolarHBondContact N-O 2.9Å; E46-G49 PolarHBondContact O-N 2.9Å; G47-G49 PolarHBondContact O-N 2.93Å
50	V	37.7	Very low	38.5	Very low	12 Å²	12	41.3 Å²	41.3	7%	0.073	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.3	172.2	-173.5	0	0	0	0	108.3	F43 L44 V261 L265	F43-V50 HydrophobicContact CD1-CG1 4.32Å; L44-V50 CarbonylContact O-C 3.55Å; L44-V50 WeakPolarHBondContact O-CA 3.33Å; L44-V50 WeakPolarHBondContact O-CG1 3.4Å; V50-V261 HydrophobicContact CB-CG1 4.46Å; V50-L265 HydrophobicContact CB-CD1 3.51Å; V50-L265 HydrophobicContact CG1-CD1 3.33Å
51	C	38.6	Very low	38.4	Very low	35 Å²	35	41.4 Å²	41.4	24%	0.236	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	161.3	170	-52.2	0	0	0	0	110.1	F43 L44	F43-C51 CarbonylContact C-O 3.55Å; F43-C51 WeakPolarHBondContact CA-O 3.24Å; L44-C51 HydrophobicContact CB-CB 3.85Å; L44-C51 HydrophobicContact CD1-CB 3.72Å; L44-C51 HydrophobicContact CG-CB 4.42Å; L44-C51 PolarHBondContact N-O 2.91Å; L44-C51 PolarHBondContact O-N 3.21Å
52	I	44.3	Very low	38.4	Very low	6 Å²	6	45.8 Å²	45.8	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.3	174.2	-88.5	173.8	0	0	0	109.5	Y42 F43 L54 L265 A269	Y42-I52 CarbonylContact O-C 3.41Å; Y42-I52 VanDerWaalsContact O-CA 3.3Å; Y42-I52 WeakPolarHBondContact O-CA 3.38Å; F43-I52 HydrophobicContact CD1-CD1 3.94Å; F43-I52 HydrophobicContact CD1-CG1 3.57Å; F43-I52 HydrophobicContact CE1-CD1 3.58Å; F43-I52 HydrophobicContact CE1-CG1 3.75Å; F43-I52 HydrophobicContact CG-CG1 4.29Å; F43-I52 HydrophobicContact CZ-CD1 4.31Å; I52-L54 HydrophobicContact CG2-CD1 3.55Å; I52-L54 HydrophobicContact CG2-CD2 4.02Å; I52-L54 HydrophobicContact CG2-CG 3.37Å; I52-L265 HydrophobicContact CB-CD2 3.72Å; I52-L265 VanDerWaalsContact CD1-CA 3.46Å; I52-L265 HydrophobicContact CD1-CB 3.28Å; I52-L265 HydrophobicContact CD1-CD1 4.26Å; I52-L265 HydrophobicContact CD1-CD2 3.41Å; I52-L265 VanDerWaalsContact CD1-CD2 3.41Å; I52-L265 HydrophobicContact CD1-CG 3.75Å; I52-L265 WeakPolarHBondContact CD1-O 3.36Å; I52-L265 HydrophobicContact CG1-CB 4.18Å; I52-L265 HydrophobicContact CG1-CD1 4.29Å; I52-L265 HydrophobicContact CG1-CD2 3.53Å; I52-L265 HydrophobicContact CG1-CG 4.16Å; I52-A269 HydrophobicContact CD1-CB 4.02Å
53	A	45.2	Very low	38.2	Very low	4 Å²	4	49.9 Å²	49.9	3%	0.033	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.4	166.3	0	0	0	0	0	108.6	Y42 L44 F58	Y42-A53 WeakPolarHBondContact CA-O 3.48Å; Y42-A53 WeakPolarHBondContact CB-O 3.37Å; Y42-A53 HydrophobicContact CD2-CB 4.39Å; Y42-A53 WeakPolarHBondContact CD2-O 3.45Å; Y42-A53 PolarHBondContact N-O 3.16Å; Y42-A53 PolarHBondContact O-N 2.83Å; L44-A53 HydrophobicContact CD1-CB 4.44Å; A53-F58 HydrophobicContact CB-CZ 4.13Å
54	L	48.7	Very low	38.1	Very low	7 Å²	7	50.6 Å²	50.6	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	115.3	-175.1	-76.2	159.9	0	0	0	110.8	V41 I52 C56 F57 F58 E268 A269 M272	V41-L54 HydrophobicContact CB-CD2 3.96Å; V41-L54 HydrophobicContact CG1-CD2 3.77Å; V41-L54 HydrophobicContact CG2-CD2 3.59Å; I52-L54 HydrophobicContact CG2-CD1 3.55Å; I52-L54 HydrophobicContact CG2-CD2 4.02Å; I52-L54 HydrophobicContact CG2-CG 3.37Å; L54-C56 PolarHBondContact O-N 2.89Å; L54-F57 HydrophobicContact CB-CB 4.07Å; L54-F57 WeakPolarHBondContact O-CB 3.39Å; L54-F57 PolarHBondContact O-N 2.75Å; L54-F58 WeakPolarHBondContact O-CD2 3.45Å; L54-F58 WeakPolarHBondContact O-CE2 3.43Å; L54-E268 HydrophobicContact CD1-CG 4.21Å; L54-A269 HydrophobicContact CD1-CB 4.43Å; L54-A269 HydrophobicContact CD2-CB 3.7Å; L54-M272 HydrophobicContact CB-CB 4.44Å; L54-M272 HydrophobicContact CB-SD 3.64Å; L54-M272 HydrophobicContact CD1-CB 4Å; L54-M272 HydrophobicContact CD1-CE 3.49Å; L54-M272 VanDerWaalsContact CD1-CE 3.49Å; L54-M272 HydrophobicContact CD1-CG 3.73Å; L54-M272 HydrophobicContact CD1-SD 3.29Å; L54-M272 WeakPolarHBondContact CD1-SD 3.21Å; L54-M272 HydrophobicContact CD2-CB 4.34Å; L54-M272 HydrophobicContact CG-CB 4.46Å; L54-M272 HydrophobicContact CG-SD 4Å
55	R	41.8	Very low	38.1	Very low	62 Å²	62	55.1 Å²	55.1	23%	0.234	31%	0.309	C	S	.	.	H	α-helix	trans	-54.5	-34	-178.5	-167.4	168	178	176	-1.6	112.4	K38 L40 Y42 F58	K38-R55 VanDerWaalsContact CB-NH1 3.3Å; L40-R55 HydrophobicContact CD2-CB 4.15Å; L40-R55 PolarHBondContact O-N 3.47Å; Y42-R55 HydrophobicContact CE2-CB 4.32Å; R55-F58 VanDerWaalsContact CA-CE2 3.48Å; R55-F58 HydrophobicContact CB-CD2 4.46Å; R55-F58 WeakPolarHBondContact O-CD2 3.46Å
56	C	42.7	Very low	38.6	Very low	4 Å²	4	56.9 Å²	56.9	3%	0.027	32%	0.321	C	S	.	.	H	α-helix	trans	-74.7	-29.6	-178	31.4	0	0	0	0	113.5	L40 L54 F60 M272 C276	L40-C56 HydrophobicContact CD2-CB 4.4Å; L54-C56 PolarHBondContact O-N 2.89Å; C56-F60 PolarHBondContact O-N 2.77Å; C56-M272 HydrophobicContact CB-CB 4.28Å; C56-M272 WeakPolarHBondContact CB-O 3.41Å; C56-M272 VanDerWaalsContact SG-C 3.52Å; C56-M272 WeakPolarHBondContact SG-CB 3.48Å; C56-M272 PolarHBondContact SG-O 2.82Å; C56-C276 WeakPolarHBondContact CA-SG 3.05Å; C56-C276 HydrophobicContact CB-CB 3.29Å; C56-C276 WeakPolarHBondContact CB-SG 3.18Å; C56-C276 PolarHBondContact O-SG 3.21Å
57	F	43.2	Very low	38.9	Very low	62 Å²	62	56.1 Å²	56.1	27%	0.272	32%	0.316	S	S	.	.	H	α-helix	trans	-65.2	-41.5	171.7	-162.3	-110.6	0	0	0	111.1	L54 L59 F60 V61 V240 A251 M272	L54-F57 HydrophobicContact CB-CB 4.07Å; L54-F57 WeakPolarHBondContact O-CB 3.39Å; L54-F57 PolarHBondContact O-N 2.75Å; F57-L59 VanDerWaalsContact C-N 3.34Å; F57-L59 PolarHBondContact O-N 3Å; F57-F60 PolarHBondContact O-N 2.67Å; F57-F60 VanDerWaalsContact O-N 3.14Å; F57-V61 HydrophobicContact CD1-CG2 3.85Å; F57-V61 HydrophobicContact CE1-CG2 3.52Å; F57-V61 HydrophobicContact CE2-CG2 4.36Å; F57-V61 HydrophobicContact CG-CG2 4.4Å; F57-V61 HydrophobicContact CZ-CG2 3.81Å; F57-V61 WeakPolarHBondContact O-CG2 3.36Å; F57-V61 PolarHBondContact O-N 3.36Å; F57-V240 HydrophobicContact CE1-CG1 4.14Å; F57-A251 HydrophobicContact CD1-CB 4.03Å; F57-A251 HydrophobicContact CE1-CB 4.12Å; F57-M272 HydrophobicContact CB-CE 4.34Å; F57-M272 HydrophobicContact CB-SD 3.53Å; F57-M272 VanDerWaalsContact CB-SD 3.53Å; F57-M272 HydrophobicContact CD2-CE 3.56Å; F57-M272 HydrophobicContact CD2-SD 3.56Å; F57-M272 VanDerWaalsContact CD2-SD 3.56Å; F57-M272 HydrophobicContact CE2-CE 4.19Å; F57-M272 HydrophobicContact CG-CE 4.16Å; F57-M272 HydrophobicContact CG-SD 3.92Å
58	F	41.2	Very low	38.7	Very low	37 Å²	37	58 Å²	58	16%	0.162	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-41.3	-178.8	-48	-75.2	0	0	0	112.2	A53 L54 R55 F60 D62 V250 A251	A53-F58 HydrophobicContact CB-CZ 4.13Å; L54-F58 WeakPolarHBondContact O-CD2 3.45Å; L54-F58 WeakPolarHBondContact O-CE2 3.43Å; R55-F58 VanDerWaalsContact CA-CE2 3.48Å; R55-F58 HydrophobicContact CB-CD2 4.46Å; R55-F58 WeakPolarHBondContact O-CD2 3.46Å; F58-F60 VanDerWaalsContact C-N 3.31Å; F58-F60 PolarHBondContact O-N 3.35Å; F58-D62 WeakPolarHBondContact O-CB 3.37Å; F58-D62 PolarHBondContact O-N 2.95Å; F58-V250 HydrophobicContact CD1-CB 4.19Å; F58-V250 HydrophobicContact CD1-CG1 4.33Å; F58-V250 VanDerWaalsContact CE1-CA 3.4Å; F58-V250 HydrophobicContact CE1-CB 3.38Å; F58-V250 HydrophobicContact CE1-CG1 3.65Å; F58-V250 HydrophobicContact CZ-CB 3.9Å; F58-V250 HydrophobicContact CZ-CG1 3.83Å; F58-A251 HydrophobicContact CD1-CB 4.29Å; F58-A251 HydrophobicContact CE1-CB 4.32Å; F58-A251 WeakPolarHBondContact CE1-O 3.27Å
59	L	36.6	Very low	39.3	Very low	80 Å²	80	59.1 Å²	59.1	42%	0.419	31%	0.313	S	S	.	.	H	α-helix	trans	-66.1	-33.5	178.1	-67.2	177.2	0	0	0	112.7	F57 K63 M280	F57-L59 VanDerWaalsContact C-N 3.34Å; F57-L59 PolarHBondContact O-N 3Å; L59-K63 VanDerWaalsContact O-CB 3.23Å; L59-K63 WeakPolarHBondContact O-CB 3.46Å; L59-K63 PolarHBondContact O-N 2.62Å; L59-M280 HydrophobicContact CD1-CE 4.13Å
60	F	34.8	Very low	39.8	Very low	75 Å²	75	67.4 Å²	67.4	33%	0.329	33%	0.334	S	S	.	.	H	α-helix	trans	-74.1	-45.4	179.7	-175.2	-106.6	0	0	0	111.6	C56 F57 F58 K63 I64 I88	C56-F60 PolarHBondContact O-N 2.77Å; F57-F60 PolarHBondContact O-N 2.67Å; F57-F60 VanDerWaalsContact O-N 3.14Å; F58-F60 VanDerWaalsContact C-N 3.31Å; F58-F60 PolarHBondContact O-N 3.35Å; F60-K63 PolarHBondContact O-N 3.05Å; F60-I64 HydrophobicContact CD1-CD1 3.71Å; F60-I64 HydrophobicContact CE1-CD1 3.31Å; F60-I64 HydrophobicContact CE2-CD1 4.29Å; F60-I64 HydrophobicContact CG-CD1 4.37Å; F60-I64 HydrophobicContact CZ-CD1 3.64Å; F60-I64 WeakPolarHBondContact O-CG1 3.35Å; F60-I64 PolarHBondContact O-N 3.39Å; F60-I64 VanDerWaalsContact O-N 3.13Å; F60-I88 HydrophobicContact CZ-CG1 4.34Å
61	V	38	Very low	40.2	Very low	38 Å²	38	72.5 Å²	72.5	23%	0.23	37%	0.367	C	S	.	.	H	α-helix	trans	-65.5	-45.8	176.9	175.1	0	0	0	0	110.9	F57 K63 I64 L65	F57-V61 HydrophobicContact CD1-CG2 3.85Å; F57-V61 HydrophobicContact CE1-CG2 3.52Å; F57-V61 HydrophobicContact CE2-CG2 4.36Å; F57-V61 HydrophobicContact CG-CG2 4.4Å; F57-V61 HydrophobicContact CZ-CG2 3.81Å; F57-V61 WeakPolarHBondContact O-CG2 3.36Å; F57-V61 PolarHBondContact O-N 3.36Å; V61-K63 VanDerWaalsContact C-N 3.31Å; V61-K63 PolarHBondContact O-N 2.93Å; V61-I64 WeakPolarHBondContact O-CA 3.42Å; V61-I64 WeakPolarHBondContact O-CB 3.1Å; V61-I64 PolarHBondContact O-N 3.26Å; V61-L65 HydrophobicContact CG1-CD1 3.73Å; V61-L65 HydrophobicContact CG1-CG 4.11Å; V61-L65 WeakPolarHBondContact O-CG 3.25Å; V61-L65 PolarHBondContact O-N 3.02Å
62	D	37.7	Very low	40.3	Very low	103 Å²	103	79.2 Å²	79.2	55%	0.551	40%	0.401	S	S	*	.	H	α-helix	trans	-57.8	-43.7	177.8	-171.3	57	0	0	0	111.6	F58 I64 L65 S66	F58-D62 WeakPolarHBondContact O-CB 3.37Å; F58-D62 PolarHBondContact O-N 2.95Å; D62-I64 VanDerWaalsContact C-N 3.28Å; D62-I64 PolarHBondContact O-N 3.45Å; D62-L65 PolarHBondContact O-N 3.06Å; D62-S66 VanDerWaalsContact O-CB 3.28Å; D62-S66 WeakPolarHBondContact O-CB 3.41Å; D62-S66 PolarHBondContact O-N 2.84Å
63	K	36.5	Very low	40	Very low	130 Å²	130	82.9 Å²	82.9	57%	0.565	44%	0.441	S	S	*	.	H	α-helix	trans	-69.2	-22	176.7	-165.9	171.2	-172.3	171.7	0	114.1	L59 F60 V61 S66 K67	L59-K63 VanDerWaalsContact O-CB 3.23Å; L59-K63 WeakPolarHBondContact O-CB 3.46Å; L59-K63 PolarHBondContact O-N 2.62Å; F60-K63 PolarHBondContact O-N 3.05Å; V61-K63 VanDerWaalsContact C-N 3.31Å; V61-K63 PolarHBondContact O-N 2.93Å; K63-S66 PolarHBondContact O-OG 2.78Å; K63-K67 WeakPolarHBondContact O-CG 3.13Å
64	I	35.5	Very low	39.5	Very low	40 Å²	40	86.1 Å²	86.1	21%	0.205	47%	0.474	C	S	.	.	H	α-helix	trans	-79.6	-50.2	172.1	-72.9	170.3	0	0	0	109.4	F60 V61 D62 S66 K67 V68 L84 I88	F60-I64 HydrophobicContact CD1-CD1 3.71Å; F60-I64 HydrophobicContact CE1-CD1 3.31Å; F60-I64 HydrophobicContact CE2-CD1 4.29Å; F60-I64 HydrophobicContact CG-CD1 4.37Å; F60-I64 HydrophobicContact CZ-CD1 3.64Å; F60-I64 WeakPolarHBondContact O-CG1 3.35Å; F60-I64 PolarHBondContact O-N 3.39Å; F60-I64 VanDerWaalsContact O-N 3.13Å; V61-I64 WeakPolarHBondContact O-CA 3.42Å; V61-I64 WeakPolarHBondContact O-CB 3.1Å; V61-I64 PolarHBondContact O-N 3.26Å; D62-I64 VanDerWaalsContact C-N 3.28Å; D62-I64 PolarHBondContact O-N 3.45Å; I64-S66 VanDerWaalsContact C-N 3.35Å; I64-S66 PolarHBondContact O-N 3.41Å; I64-K67 PolarHBondContact O-N 3.33Å; I64-V68 HydrophobicContact CG2-CG2 4.43Å; I64-V68 WeakPolarHBondContact O-CG2 3.47Å; I64-V68 PolarHBondContact O-N 2.79Å; I64-V68 VanDerWaalsContact O-N 3.16Å; I64-L84 HydrophobicContact CG1-CD2 4.38Å; I64-I88 HydrophobicContact CD1-CD1 4.17Å
65	L	37.1	Very low	38.7	Very low	103 Å²	103	92.7 Å²	92.7	54%	0.539	52%	0.521	S	S	.	.	H	α-helix	trans	-61.7	-42	-179.7	-67.5	176.3	0	0	0	111.4	V61 D62 K67 V68 D69	V61-L65 HydrophobicContact CG1-CD1 3.73Å; V61-L65 HydrophobicContact CG1-CG 4.11Å; V61-L65 WeakPolarHBondContact O-CG 3.25Å; V61-L65 PolarHBondContact O-N 3.02Å; D62-L65 PolarHBondContact O-N 3.06Å; L65-K67 PolarHBondContact O-N 2.72Å; L65-V68 PolarHBondContact O-N 2.74Å; L65-D69 WeakPolarHBondContact O-CB 3.48Å; L65-D69 PolarHBondContact O-N 3.15Å
66	S	40.4	Very low	38.4	Very low	78 Å²	78	92.4 Å²	92.4	55%	0.545	54%	0.537	S	S	.	.	H	α-helix	trans	-61.9	-16.3	176	85.4	0	0	0	0	114.1	D62 K63 I64	D62-S66 VanDerWaalsContact O-CB 3.28Å; D62-S66 WeakPolarHBondContact O-CB 3.41Å; D62-S66 PolarHBondContact O-N 2.84Å; K63-S66 PolarHBondContact O-OG 2.78Å; I64-S66 VanDerWaalsContact C-N 3.35Å; I64-S66 PolarHBondContact O-N 3.41Å
67	K	37.3	Very low	37.9	Very low	98 Å²	98	96.8 Å²	96.8	43%	0.426	57%	0.568	S	S	.	*	H	α-helix	trans	-99.5	-19.6	176.5	-74.3	-173.6	175.1	-170.1	0	113.3	K63 I64 L65 L84	K63-K67 WeakPolarHBondContact O-CG 3.13Å; I64-K67 PolarHBondContact O-N 3.33Å; L65-K67 PolarHBondContact O-N 2.72Å; K67-L84 HydrophobicContact CD-CD1 4.02Å; K67-L84 HydrophobicContact CD-CD2 3.97Å
68	V	37.3	Very low	37.4	Very low	94 Å²	94	97.7 Å²	97.7	57%	0.57	59%	0.594	S	S	*	*	H	α-helix	trans	-87.6	-30.7	177.4	174.8	0	0	0	0	110.3	I64 L65 R70	I64-V68 HydrophobicContact CG2-CG2 4.43Å; I64-V68 WeakPolarHBondContact O-CG2 3.47Å; I64-V68 PolarHBondContact O-N 2.79Å; I64-V68 VanDerWaalsContact O-N 3.16Å; L65-V68 PolarHBondContact O-N 2.74Å; V68-R70 VanDerWaalsContact C-N 3.34Å; V68-R70 PolarHBondContact O-N 2.81Å; V68-R70 VanDerWaalsContact O-N 3.15Å
69	D	39.7	Very low	36.9	Very low	141 Å²	141	103.5 Å²	103.5	75%	0.754	62%	0.622	S	S	*	*			trans	-91.1	53.7	-174.1	-143.6	17.7	0	0	0	113.1	L65 P71	L65-D69 WeakPolarHBondContact O-CB 3.48Å; L65-D69 PolarHBondContact O-N 3.15Å; D69-P71 WeakPolarHBondContact O-CD 2.83Å
70	R	41.7	Very low	37	Very low	207 Å²	207	103.1 Å²	103.1	78%	0.781	63%	0.626	S	S	*	*			trans	-84	117	165.8	-83.5	-171.1	176.7	164	-0.6	108.7	V68	V68-R70 VanDerWaalsContact C-N 3.34Å; V68-R70 PolarHBondContact O-N 2.81Å; V68-R70 VanDerWaalsContact O-N 3.15Å
71	P	45.8	Very low	36.8	Very low	118 Å²	118	103.3 Å²	103.3	77%	0.766	63%	0.633	S	S	*	*			trans	-65.5	140.1	178.2	27.7	-32.7	0	0	0	110	D69 G73	D69-P71 WeakPolarHBondContact O-CD 2.83Å; P71-G73 PolarHBondContact O-N 2.73Å
72	D	41.1	Very low	36.3	Very low	176 Å²	176	104.7 Å²	104.7	94%	0.941	65%	0.649	S	S	*	*	S	Bend	trans	-42.4	123.1	-179.4	-70.8	-51.1	0	0	0	113.4
73	G	37.1	Very low	36.1	Very low	84 Å²	84	102 Å²	102	87%	0.866	64%	0.64	S	S	*	*			trans	146.6	61.8	169.4	0	0	0	0	0	115.3	P71	P71-G73 PolarHBondContact O-N 2.73Å
74	G	35.9	Very low	35.8	Very low	72 Å²	72	97.9 Å²	97.9	74%	0.742	62%	0.624	S	S	*	*			trans	174.3	103.8	170.2	0	0	0	0	0	113.7	G76	G74-G76 PolarHBondContact O-N 2.81Å
75	S	32.4	Very low	35.4	Very low	145 Å²	145	102.2 Å²	102.2	100%	1.014	65%	0.645	S	S	*	*			trans	-57.7	100.8	169.7	-163.3	0	0	0	0	109.5
76	G	33.8	Very low	35.1	Very low	55 Å²	55	101.5 Å²	101.5	57%	0.567	65%	0.649	S	S	*	*			trans	-163.5	82.6	-171.8	0	0	0	0	0	113.1	G74	G74-G76 PolarHBondContact O-N 2.81Å
77	S	32.2	Very low	34.5	Very low	97 Å²	97	107.6 Å²	107.6	68%	0.678	66%	0.66	S	S	*	*			trans	48.5	94.7	162.4	64.4	0	0	0	0	117.7	Q79	S77-Q79 PolarHBondContact O-N 3.34Å
78	G	33.1	Very low	34.1	Very low	80 Å²	80	106.1 Å²	106.1	83%	0.825	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	33.7	171.2	0	0	0	0	0	116.3
79	Q	31.1	Very low	33.6	Very low	160 Å²	160	107.2 Å²	107.2	75%	0.748	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-10	179.2	-70.2	-178.8	5.5	0	0	113.6	S77 A83	S77-Q79 PolarHBondContact O-N 3.34Å; Q79-A83 VanDerWaalsContact O-CB 3.25Å; Q79-A83 WeakPolarHBondContact O-CB 2.98Å
80	S	38.1	Very low	33	Very low	71 Å²	71	106.8 Å²	106.8	50%	0.497	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.6	-28.8	-169.2	-177.6	0	0	0	0	115.6	L84	S80-L84 PolarHBondContact O-N 3.29Å
81	T	30.1	Very low	32.5	Very low	79 Å²	79	99.4 Å²	99.4	49%	0.485	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.6	-43.5	-175.4	48.3	0	0	0	0	111.7	A83 L84 M85	T81-A83 VanDerWaalsContact C-N 3.32Å; T81-A83 PolarHBondContact O-N 3.49Å; T81-L84 PolarHBondContact O-N 3.26Å; T81-L84 VanDerWaalsContact O-N 3.13Å; T81-M85 WeakPolarHBondContact O-CG 3.3Å; T81-M85 PolarHBondContact O-N 2.68Å
82	A	29	Very low	31.6	Very low	68 Å²	68	95.7 Å²	95.7	56%	0.562	62%	0.617	S	S	*	*	H	α-helix	trans	-61.5	-39	173.6	0	0	0	0	0	112.4	L84 M85 S86	A82-L84 VanDerWaalsContact C-N 3.29Å; A82-L84 PolarHBondContact O-N 2.78Å; A82-M85 PolarHBondContact O-N 2.89Å; A82-S86 WeakPolarHBondContact O-CB 3.29Å; A82-S86 PolarHBondContact O-N 3.37Å; A82-S86 PolarHBondContact O-OG 3.41Å
83	A	32.3	Very low	31.2	Very low	45 Å²	45	92 Å²	92	37%	0.372	60%	0.602	S	S	.	*	H	α-helix	trans	-70	-23.3	175.5	0	0	0	0	0	113.8	Q79 T81 S86 R87	Q79-A83 VanDerWaalsContact O-CB 3.25Å; Q79-A83 WeakPolarHBondContact O-CB 2.98Å; T81-A83 VanDerWaalsContact C-N 3.32Å; T81-A83 PolarHBondContact O-N 3.49Å; A83-S86 WeakPolarHBondContact CA-OG 3.07Å; A83-S86 PolarHBondContact O-OG 2.93Å; A83-S86 VanDerWaalsContact O-OG 3.11Å; A83-R87 WeakPolarHBondContact O-CG 3.01Å
84	L	30.1	Very low	31.9	Very low	44 Å²	44	89.4 Å²	89.4	23%	0.23	57%	0.568	C	S	.	*	H	α-helix	trans	-81.2	-43	174.7	-154.2	84.9	0	0	0	110.4	I64 K67 S80 T81 A82 S86 R87	I64-L84 HydrophobicContact CG1-CD2 4.38Å; K67-L84 HydrophobicContact CD-CD1 4.02Å; K67-L84 HydrophobicContact CD-CD2 3.97Å; S80-L84 PolarHBondContact O-N 3.29Å; T81-L84 PolarHBondContact O-N 3.26Å; T81-L84 VanDerWaalsContact O-N 3.13Å; A82-L84 VanDerWaalsContact C-N 3.29Å; A82-L84 PolarHBondContact O-N 2.78Å; L84-S86 VanDerWaalsContact C-N 3.34Å; L84-S86 PolarHBondContact O-N 3.26Å; L84-R87 PolarHBondContact O-N 3.28Å
85	M	28.4	Very low	32.3	Very low	131 Å²	131	89.5 Å²	89.5	65%	0.645	56%	0.556	S	S	*	*	H	α-helix	trans	-61.5	-39	175.2	-71.3	-73	-162.2	0	0	112	T81 A82 R87 I88	T81-M85 WeakPolarHBondContact O-CG 3.3Å; T81-M85 PolarHBondContact O-N 2.68Å; A82-M85 PolarHBondContact O-N 2.89Å; M85-R87 PolarHBondContact O-N 3.05Å; M85-I88 WeakPolarHBondContact O-CB 3.38Å; M85-I88 PolarHBondContact O-N 2.77Å; M85-I88 VanDerWaalsContact O-N 3.08Å; M85-I88 HydrophobicContact SD-CD1 4.28Å
86	S	30	Very low	33.6	Very low	89 Å²	89	83.5 Å²	83.5	62%	0.622	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-15.1	177.2	64.3	0	0	0	0	114.4	A82 A83 L84	A82-S86 WeakPolarHBondContact O-CB 3.29Å; A82-S86 PolarHBondContact O-N 3.37Å; A82-S86 PolarHBondContact O-OG 3.41Å; A83-S86 WeakPolarHBondContact CA-OG 3.07Å; A83-S86 PolarHBondContact O-OG 2.93Å; A83-S86 VanDerWaalsContact O-OG 3.11Å; L84-S86 VanDerWaalsContact C-N 3.34Å; L84-S86 PolarHBondContact O-N 3.26Å
87	R	28.9	Very low	34.7	Very low	206 Å²	206	84 Å²	84	78%	0.777	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-10.8	173.4	-67.4	177.1	-176.6	-155.2	0.1	113	A83 L84 M85 K89	A83-R87 WeakPolarHBondContact O-CG 3.01Å; L84-R87 PolarHBondContact O-N 3.28Å; M85-R87 PolarHBondContact O-N 3.05Å; R87-K89 PolarHBondContact O-N 2.91Å
88	I	28.2	Very low	35.9	Very low	67 Å²	67	81.8 Å²	81.8	34%	0.344	50%	0.499	S	S	.	.			trans	-84.1	93.9	176.8	-56.6	176.8	0	0	0	107.5	F60 I64 M85 V90	F60-I88 HydrophobicContact CZ-CG1 4.34Å; I64-I88 HydrophobicContact CD1-CD1 4.17Å; M85-I88 WeakPolarHBondContact O-CB 3.38Å; M85-I88 PolarHBondContact O-N 2.77Å; M85-I88 VanDerWaalsContact O-N 3.08Å; M85-I88 HydrophobicContact SD-CD1 4.28Å; I88-V90 PolarHBondContact O-N 3.49Å
89	K	27.5	Very low	37	Very low	117 Å²	117	78.3 Å²	78.3	51%	0.509	46%	0.463	S	S	.	.			trans	-80.1	103.5	169	-68	-174.6	178.9	-178.5	0	107.6	R87 V91 L156 Q167	R87-K89 PolarHBondContact O-N 2.91Å; K89-V91 PolarHBondContact O-N 3.43Å; K89-L156 PolarHBondContact NZ-O 3.36Å; K89-L156 VanDerWaalsContact NZ-O 3.14Å; K89-Q167 WeakPolarHBondContact CE-O 3.4Å; K89-Q167 PolarHBondContact NZ-O 2.79Å
90	V	26.4	Very low	38.2	Very low	131 Å²	131	72.5 Å²	72.5	79%	0.794	44%	0.435	S	S	*	.			trans	-61	116.5	166.9	178.4	0	0	0	0	106.8	I88 G92	I88-V90 PolarHBondContact O-N 3.49Å; V90-G92 PolarHBondContact O-N 2.75Å
91	V	30.7	Very low	39.5	Very low	53 Å²	53	71.4 Å²	71.4	32%	0.321	43%	0.425	S	S	.	.			trans	-74.7	104.4	175.4	170	0	0	0	0	107	K89 F100	K89-V91 PolarHBondContact O-N 3.43Å; V91-F100 HydrophobicContact CB-CZ 4.23Å; V91-F100 HydrophobicContact CG1-CE2 3.6Å; V91-F100 HydrophobicContact CG1-CZ 3.34Å; V91-F100 HydrophobicContact CG2-CZ 3.9Å
92	G	27.8	Very low	41.9	Very low	40 Å²	40	67.7 Å²	67.7	41%	0.412	40%	0.402	S	S	.	.			trans	-66.4	172.8	168.1	0	0	0	0	0	112.2	V90 D94	V90-G92 PolarHBondContact O-N 2.75Å; G92-D94 PolarHBondContact O-N 3.03Å
93	P	33	Very low	44.3	Very low	97 Å²	97	65.9 Å²	65.9	63%	0.63	38%	0.382	S	S	*	.			trans	-50.6	133.9	177.8	20.9	-32.7	0	0	0	110.1	P95	P93-P95 WeakPolarHBondContact O-CD 3.38Å
94	D	50	Low	46.5	Very low	30 Å²	30	64.3 Å²	64.3	16%	0.16	37%	0.367	C	S	.	.			trans	-62.5	108.3	-177.8	174.1	26.7	0	0	0	109.9	G92 A96 G97 F98 G99	G92-D94 PolarHBondContact O-N 3.03Å; D94-A96 PolarHBondContact O-N 3.1Å; D94-A96 VanDerWaalsContact O-N 3.13Å; D94-A96 PolarHBondContact OD1-N 3.45Å; D94-G97 PolarHBondContact O-N 3.02Å; D94-G97 PolarHBondContact OD2-N 2.73Å; D94-F98 WeakPolarHBondContact OD2-CA 3.4Å; D94-F98 PolarHBondContact OD2-N 2.74Å; D94-G99 WeakPolarHBondContact OD2-CA 3.16Å; D94-G99 PolarHBondContact OD2-N 3.05Å
95	P	45.8	Very low	48.5	Very low	75 Å²	75	62.6 Å²	62.6	49%	0.487	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.8	-173.6	15.8	-12.1	0	0	0	112.6	P93 L171 A174	P93-P95 WeakPolarHBondContact O-CD 3.38Å; P95-L171 HydrophobicContact CG-CD2 4.1Å; P95-A174 HydrophobicContact CB-CB 3.74Å; P95-A174 HydrophobicContact CG-CB 3.66Å
96	A	58.8	Low	50.8	Low	19 Å²	19	61 Å²	61	16%	0.157	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-13.5	175.1	0	0	0	0	0	113.5	D94 F98 V173 A174 V177	D94-A96 PolarHBondContact O-N 3.1Å; D94-A96 VanDerWaalsContact O-N 3.13Å; D94-A96 PolarHBondContact OD1-N 3.45Å; A96-F98 HydrophobicContact CB-CD2 3.67Å; A96-F98 HydrophobicContact CB-CE2 4.14Å; A96-F98 HydrophobicContact CB-CG 4.44Å; A96-F98 PolarHBondContact O-N 2.68Å; A96-V173 HydrophobicContact CB-CG1 3.99Å; A96-A174 HydrophobicContact CB-CB 4.27Å; A96-V177 HydrophobicContact CB-CG2 4.19Å
97	G	58.1	Low	53.2	Low	66 Å²	66	57.6 Å²	57.6	68%	0.68	34%	0.336	S	S	*	.	S	Bend	trans	68.6	14.2	-179.2	0	0	0	0	0	115.6	D94	D94-G97 PolarHBondContact O-N 3.02Å; D94-G97 PolarHBondContact OD2-N 2.73Å
98	F	57.5	Low	56	Low	50 Å²	50	50.4 Å²	50.4	22%	0.219	32%	0.317	C	S	.	.	S	Bend	trans	-93.3	-7.1	178.8	-65.4	-44.6	0	0	0	114.4	D94 A96 T101 F124 V173 V177 V188 P190	D94-F98 WeakPolarHBondContact OD2-CA 3.4Å; D94-F98 PolarHBondContact OD2-N 2.74Å; A96-F98 HydrophobicContact CB-CD2 3.67Å; A96-F98 HydrophobicContact CB-CE2 4.14Å; A96-F98 HydrophobicContact CB-CG 4.44Å; A96-F98 PolarHBondContact O-N 2.68Å; F98-T101 WeakPolarHBondContact O-CG2 3.12Å; F98-T101 PolarHBondContact O-OG1 3.22Å; F98-F124 HydrophobicContact CD2-CE1 4.21Å; F98-F124 AromaticContact CD2-CZ 3.82Å; F98-F124 HydrophobicContact CD2-CZ 3.82Å; F98-F124 AromaticContact CE2-CE1 3.9Å; F98-F124 HydrophobicContact CE2-CE1 3.9Å; F98-F124 AromaticContact CE2-CZ 3.93Å; F98-F124 HydrophobicContact CE2-CZ 3.93Å; F98-V173 HydrophobicContact CD2-CG1 4.4Å; F98-V177 HydrophobicContact CD2-CG2 4.32Å; F98-V177 HydrophobicContact CE2-CG1 4.43Å; F98-V177 HydrophobicContact CE2-CG2 3.53Å; F98-V177 HydrophobicContact CZ-CG2 4.42Å; F98-V188 WeakPolarHBondContact CZ-O 3.43Å; F98-P190 HydrophobicContact CB-CG 3.99Å; F98-P190 HydrophobicContact CD1-CG 3.88Å; F98-P190 HydrophobicContact CG-CG 3.97Å
99	G	54.7	Low	59	Low	6 Å²	6	53.3 Å²	53.3	6%	0.062	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	59	-151.6	-160.2	0	0	0	0	0	111.3	D94 T101 W102 Q267	D94-G99 WeakPolarHBondContact OD2-CA 3.16Å; D94-G99 PolarHBondContact OD2-N 3.05Å; G99-T101 VanDerWaalsContact C-N 3.34Å; G99-W102 PolarHBondContact O-NE1 3.33Å; G99-Q267 VanDerWaalsContact CA-NE2 3.29Å
100	F	56.6	Low	62.1	Low	39 Å²	39	53.7 Å²	53.7	17%	0.171	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	17.7	175.7	-69.7	-88.3	0	0	0	113.3	V91 W102 F103 Q170 M271	V91-F100 HydrophobicContact CB-CZ 4.23Å; V91-F100 HydrophobicContact CG1-CE2 3.6Å; V91-F100 HydrophobicContact CG1-CZ 3.34Å; V91-F100 HydrophobicContact CG2-CZ 3.9Å; F100-W102 HydrophobicContact CD1-CH2 4.12Å; F100-W102 AromaticContact CD1-CZ2 3.97Å; F100-W102 HydrophobicContact CD1-CZ2 3.97Å; F100-W102 HydrophobicContact CE1-CH2 4.49Å; F100-W102 HydrophobicContact CE1-CZ2 4.43Å; F100-W102 PolarHBondContact O-N 3.45Å; F100-W102 VanDerWaalsContact O-N 3.08Å; F100-F103 PolarHBondContact O-N 3.33Å; F100-Q170 HydrophobicContact CD1-CG 4.48Å; F100-Q170 VanDerWaalsContact CE1-CD 3.41Å; F100-Q170 HydrophobicContact CE1-CG 3.62Å; F100-Q170 VanDerWaalsContact CE1-NE2 3.28Å; F100-Q170 HydrophobicContact CZ-CG 3.84Å; F100-M271 HydrophobicContact CB-CG 4.48Å; F100-M271 HydrophobicContact CD2-CG 3.36Å; F100-M271 HydrophobicContact CD2-SD 3.63Å; F100-M271 HydrophobicContact CE2-CE 3.9Å; F100-M271 HydrophobicContact CE2-CG 3.73Å; F100-M271 HydrophobicContact CE2-SD 3.5Å; F100-M271 VanDerWaalsContact CE2-SD 3.5Å; F100-M271 HydrophobicContact CG-CG 4.13Å
101	T	65	Low	65.2	Low	47 Å²	47	49.7 Å²	49.7	29%	0.288	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.5	-174.8	57.8	0	0	0	0	113.1	F98 G99 H104 P190	F98-T101 WeakPolarHBondContact O-CG2 3.12Å; F98-T101 PolarHBondContact O-OG1 3.22Å; G99-T101 VanDerWaalsContact C-N 3.34Å; T101-H104 PolarHBondContact O-NE2 3.35Å; T101-P190 WeakPolarHBondContact OG1-CB 3.02Å; T101-P190 VanDerWaalsContact OG1-CG 3.24Å; T101-P190 WeakPolarHBondContact OG1-CG 3.4Å
102	W	80.5	Confident	68.1	Low	1 Å²	1	47.2 Å²	47.2	0%	0.004	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-17.9	173.1	45.9	-95.1	0	0	0	114	G99 F100 H104 F124 L125 I126 L169 Q170 V173 P190	G99-W102 PolarHBondContact O-NE1 3.33Å; F100-W102 HydrophobicContact CD1-CH2 4.12Å; F100-W102 AromaticContact CD1-CZ2 3.97Å; F100-W102 HydrophobicContact CD1-CZ2 3.97Å; F100-W102 HydrophobicContact CE1-CH2 4.49Å; F100-W102 HydrophobicContact CE1-CZ2 4.43Å; F100-W102 PolarHBondContact O-N 3.45Å; F100-W102 VanDerWaalsContact O-N 3.08Å; W102-H104 PolarHBondContact O-CD2 3.13Å; W102-H104 VanDerWaalsContact O-CD2 3.31Å; W102-F124 HydrophobicContact CB-CD2 3.93Å; W102-F124 HydrophobicContact CB-CE2 3.36Å; W102-F124 HydrophobicContact CB-CZ 3.96Å; W102-F124 HydrophobicContact CD2-CE2 4.4Å; W102-F124 AromaticContact CG-CE2 3.66Å; W102-F124 HydrophobicContact CG-CE2 3.66Å; W102-F124 HydrophobicContact CG-CZ 4.15Å; W102-L125 CarbonylContact O-C 3.57Å; W102-L125 WeakPolarHBondContact O-CA 3.4Å; W102-L125 WeakPolarHBondContact O-CB 3.45Å; W102-I126 HydrophobicContact CE3-CB 3.86Å; W102-I126 HydrophobicContact CE3-CD1 3.74Å; W102-I126 HydrophobicContact CE3-CG1 3.88Å; W102-I126 HydrophobicContact CZ3-CB 4.12Å; W102-I126 HydrophobicContact CZ3-CD1 3.74Å; W102-I126 HydrophobicContact CZ3-CG1 4.25Å; W102-I126 PolarHBondContact O-N 3.46Å; W102-L169 HydrophobicContact CH2-CB 3.49Å; W102-L169 VanDerWaalsContact CH2-CB 3.49Å; W102-L169 HydrophobicContact CZ3-CB 3.79Å; W102-L169 HydrophobicContact CZ3-CD1 4.22Å; W102-Q170 HydrophobicContact CH2-CG 4.48Å; W102-Q170 HydrophobicContact CZ2-CG 4.11Å; W102-V173 HydrophobicContact CD2-CG2 3.92Å; W102-V173 HydrophobicContact CE3-CG2 4.04Å; W102-V173 HydrophobicContact CH2-CG2 4.2Å; W102-V173 HydrophobicContact CZ2-CG2 4.07Å; W102-V173 HydrophobicContact CZ3-CG2 4.18Å; W102-P190 HydrophobicContact CB-CB 3.78Å
103	F	80.5	Confident	71.3	Confident	30 Å²	30	47.4 Å²	47.4	13%	0.132	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-89.1	113.4	-179.3	-172.3	-106.2	0	0	0	111.3	F100 I126 E128 Y136 L169	F100-F103 PolarHBondContact O-N 3.33Å; F103-I126 CarbonylContact C-O 3.53Å; F103-I126 WeakPolarHBondContact CA-O 3.46Å; F103-I126 HydrophobicContact CD2-CB 4.22Å; F103-I126 HydrophobicContact CD2-CG2 4.02Å; F103-I126 HydrophobicContact CE2-CG2 4.28Å; F103-E128 HydrophobicContact CZ-CG 4.18Å; F103-Y136 AromaticContact CE2-CD1 3.77Å; F103-Y136 HydrophobicContact CE2-CD1 3.77Å; F103-Y136 AromaticContact CE2-CE1 3.81Å; F103-Y136 HydrophobicContact CE2-CE1 3.81Å; F103-Y136 HydrophobicContact CZ-CD1 4.34Å; F103-Y136 HydrophobicContact CZ-CE1 4.01Å; F103-L169 HydrophobicContact CD2-CD1 4.06Å; F103-L169 HydrophobicContact CE2-CD1 4.03Å
104	H	77.3	Confident	74.2	Confident	13 Å²	13	50.5 Å²	50.5	6%	0.06	28%	0.28	C	S	.	.			trans	-105.7	9.1	-174.1	-71.1	-141.6	0	0	0	113.2	T101 W102 S106 I107 L125 I126 L191 L193	T101-H104 PolarHBondContact O-NE2 3.35Å; W102-H104 PolarHBondContact O-CD2 3.13Å; W102-H104 VanDerWaalsContact O-CD2 3.31Å; H104-S106 PolarHBondContact O-N 3.33Å; H104-I107 HydrophobicContact CB-CB 4.19Å; H104-I107 HydrophobicContact CB-CD1 4.42Å; H104-I107 HydrophobicContact CB-CG2 3.55Å; H104-L125 HydrophobicContact CB-CD1 4.3Å; H104-I126 PolarHBondContact N-O 3.02Å; H104-L191 PolarHBondContact CE1-O 2.74Å; H104-L191 PolarHBondContact NE2-O 2.68Å; H104-L193 HydrophobicContact CB-CD2 4.07Å; H104-L193 VanDerWaalsContact CG-CD2 3.46Å
105	G	74	Confident	76.2	Confident	7 Å²	7	51.5 Å²	51.5	7%	0.072	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	-135.5	178.5	0	0	0	0	0	112.6	I107 R127 E128	G105-I107 PolarHBondContact O-N 2.84Å; G105-I107 VanDerWaalsContact O-N 3.11Å; G105-R127 CarbonylContact O-C 3.41Å; G105-R127 VanDerWaalsContact O-CA 3.26Å; G105-R127 WeakPolarHBondContact O-CA 3.05Å; G105-R127 WeakPolarHBondContact O-CB 3.37Å; G105-E128 PolarHBondContact O-N 3.49Å
106	S	76.2	Confident	78.5	Confident	97 Å²	97	47.9 Å²	47.9	68%	0.678	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	28.1	-174.4	56.1	0	0	0	0	115.3	H104	H104-S106 PolarHBondContact O-N 3.33Å
107	I	79.2	Confident	80.3	Confident	19 Å²	19	50 Å²	50	10%	0.097	27%	0.269	C	S	.	.			trans	-55.5	137.3	172.3	-174.6	166.1	0	0	0	111.1	H104 G105 E111 L125 R127	H104-I107 HydrophobicContact CB-CB 4.19Å; H104-I107 HydrophobicContact CB-CD1 4.42Å; H104-I107 HydrophobicContact CB-CG2 3.55Å; G105-I107 PolarHBondContact O-N 2.84Å; G105-I107 VanDerWaalsContact O-N 3.11Å; I107-E111 HydrophobicContact CD1-CB 4.31Å; I107-E111 HydrophobicContact CD1-CG 3.65Å; I107-E111 HydrophobicContact CG1-CB 3.86Å; I107-E111 HydrophobicContact CG1-CG 3.62Å; I107-L125 HydrophobicContact CG2-CD1 4.3Å; I107-R127 HydrophobicContact CG2-CB 3.36Å; I107-R127 HydrophobicContact CG2-CG 4.27Å; I107-R127 WeakPolarHBondContact O-CD 3.45Å
108	S	87.7	Confident	81.9	Confident	55 Å²	55	53.1 Å²	53.1	39%	0.385	27%	0.27	S	S	.	.			trans	-74	155.9	-178.6	74.1	0	0	0	0	111.8	D110 E111 T112	S108-D110 VanDerWaalsContact C-N 3.26Å; S108-D110 PolarHBondContact O-N 3.03Å; S108-E111 PolarHBondContact O-N 3.06Å; S108-E111 VanDerWaalsContact OG-CB 3.29Å; S108-E111 WeakPolarHBondContact OG-CB 3.39Å; S108-E111 PolarHBondContact OG-N 3.02Å; S108-T112 WeakPolarHBondContact O-CB 3.46Å; S108-T112 PolarHBondContact O-N 3.37Å; S108-T112 PolarHBondContact O-OG1 3.15Å; S108-T112 VanDerWaalsContact O-OG1 3.09Å
109	R	92	Very high	83.7	Confident	127 Å²	127	53.6 Å²	53.6	48%	0.479	27%	0.273	S	S	.	.	H	α-helix	trans	-56	-41.4	175.7	-175.3	174.5	-175.4	151.7	1.7	112.1	T112 N113	R109-T112 PolarHBondContact O-N 3.48Å; R109-N113 WeakPolarHBondContact O-CB 3.38Å; R109-N113 VanDerWaalsContact O-CG 3.32Å; R109-N113 PolarHBondContact O-N 3.46Å; R109-N113 PolarHBondContact O-ND2 3.16Å
110	D	92.9	Very high	85.7	Confident	126 Å²	126	57.1 Å²	57.1	67%	0.674	30%	0.295	S	S	*	.	H	α-helix	trans	-66.3	-43.7	-179.5	-61.8	-29.3	0	0	0	111.6	S108 N113 R114	S108-D110 VanDerWaalsContact C-N 3.26Å; S108-D110 PolarHBondContact O-N 3.03Å; D110-N113 PolarHBondContact O-N 3.47Å; D110-R114 WeakPolarHBondContact O-CB 3.49Å; D110-R114 PolarHBondContact O-N 3Å
111	E	90.1	Very high	87.6	Confident	47 Å²	47	58.5 Å²	58.5	22%	0.22	30%	0.304	C	S	.	.	H	α-helix	trans	-66.9	-40.1	176.9	179.2	63.8	-179	0	0	111.3	I107 S108 R114 R115	I107-E111 HydrophobicContact CD1-CB 4.31Å; I107-E111 HydrophobicContact CD1-CG 3.65Å; I107-E111 HydrophobicContact CG1-CB 3.86Å; I107-E111 HydrophobicContact CG1-CG 3.62Å; S108-E111 PolarHBondContact O-N 3.06Å; S108-E111 VanDerWaalsContact OG-CB 3.29Å; S108-E111 WeakPolarHBondContact OG-CB 3.39Å; S108-E111 PolarHBondContact OG-N 3.02Å; E111-R114 PolarHBondContact O-N 3.44Å; E111-R114 IonicContact OE1-CZ 2.75Å; E111-R114 IonicContact OE1-NE 3.05Å; E111-R114 IonicContact OE1-NH2 3.9Å; E111-R114 PolarHBondContact OE1-NH2 3.39Å; E111-R114 IonicContact OE2-CZ 3.7Å; E111-R114 IonicContact OE2-NE 3.67Å; E111-R114 PolarHBondContact OE2-NE 2.85Å; E111-R114 IonicContact OE2-NH2 3.69Å; E111-R114 PolarHBondContact OE2-NH2 2.97Å; E111-R115 VanDerWaalsContact O-CG 3.3Å; E111-R115 WeakPolarHBondContact O-CG 3.08Å; E111-R115 PolarHBondContact O-N 2.98Å; E111-R115 VanDerWaalsContact O-N 3.11Å; E111-R115 IonicContact OE1-CZ 3.17Å; E111-R115 IonicContact OE1-NE 3.76Å; E111-R115 PolarHBondContact OE1-NE 3.15Å; E111-R115 IonicContact OE1-NH2 2.71Å; E111-R115 PolarHBondContact OE1-NH2 3.03Å
112	T	92	Very high	89.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.8	-49.5	172.1	-66.7	0	0	0	0	111.8	S108 R109 R114 R115 L116 L125 R127 C139	S108-T112 WeakPolarHBondContact O-CB 3.46Å; S108-T112 PolarHBondContact O-N 3.37Å; S108-T112 PolarHBondContact O-OG1 3.15Å; S108-T112 VanDerWaalsContact O-OG1 3.09Å; R109-T112 PolarHBondContact O-N 3.48Å; T112-R114 PolarHBondContact O-N 3.14Å; T112-R115 PolarHBondContact O-N 3.29Å; T112-L116 HydrophobicContact CG2-CD1 3.86Å; T112-L116 WeakPolarHBondContact O-CB 3.16Å; T112-L116 PolarHBondContact O-N 3.49Å; T112-L125 HydrophobicContact CG2-CD1 3.99Å; T112-L125 HydrophobicContact CG2-CD2 3.99Å; T112-L125 HydrophobicContact CG2-CG 4.22Å; T112-R127 WeakPolarHBondContact OG1-CD 3.02Å; T112-C139 HydrophobicContact CG2-CB 3.65Å
113	N	95.2	Very high	89.8	Confident	44 Å²	44	56.2 Å²	56.2	24%	0.235	29%	0.29	C	S	.	.	H	α-helix	trans	-57.3	-50.6	177.4	-77.3	-23.8	0	0	0	110.5	R109 D110 R115 L116 T117 V146 H148	R109-N113 WeakPolarHBondContact O-CB 3.38Å; R109-N113 VanDerWaalsContact O-CG 3.32Å; R109-N113 PolarHBondContact O-N 3.46Å; R109-N113 PolarHBondContact O-ND2 3.16Å; D110-N113 PolarHBondContact O-N 3.47Å; N113-R115 PolarHBondContact O-N 3.17Å; N113-R115 VanDerWaalsContact O-N 3.14Å; N113-L116 PolarHBondContact O-N 2.86Å; N113-L116 VanDerWaalsContact O-N 3.17Å; N113-T117 WeakPolarHBondContact O-CB 3.32Å; N113-T117 PolarHBondContact O-N 2.94Å; N113-T117 PolarHBondContact O-OG1 3.29Å; N113-V146 WeakPolarHBondContact OD1-CB 3.33Å; N113-H148 PolarHBondContact OD1-CE1 2.96Å; N113-H148 PolarHBondContact OD1-NE2 3.45Å
114	R	94.4	Very high	90.5	Very high	162 Å²	162	54.8 Å²	54.8	61%	0.611	28%	0.284	S	S	*	.	H	α-helix	trans	-55.7	-34.3	179.5	-169.7	-174.5	66.9	77.6	-3.7	113.5	D110 E111 T112	D110-R114 WeakPolarHBondContact O-CB 3.49Å; D110-R114 PolarHBondContact O-N 3Å; E111-R114 PolarHBondContact O-N 3.44Å; E111-R114 IonicContact OE1-CZ 2.75Å; E111-R114 IonicContact OE1-NE 3.05Å; E111-R114 IonicContact OE1-NH2 3.9Å; E111-R114 PolarHBondContact OE1-NH2 3.39Å; E111-R114 IonicContact OE2-CZ 3.7Å; E111-R114 IonicContact OE2-NE 3.67Å; E111-R114 PolarHBondContact OE2-NE 2.85Å; E111-R114 IonicContact OE2-NH2 3.69Å; E111-R114 PolarHBondContact OE2-NH2 2.97Å; T112-R114 PolarHBondContact O-N 3.14Å
115	R	91.8	Very high	91.3	Very high	51 Å²	51	54.1 Å²	54.1	19%	0.192	28%	0.281	C	S	.	.	H	α-helix	trans	-87.2	-27.8	-179.5	-60.8	178.4	-177	-159.3	-2.9	113.8	E111 T112 N113 Q119 L191 S194	E111-R115 VanDerWaalsContact O-CG 3.3Å; E111-R115 WeakPolarHBondContact O-CG 3.08Å; E111-R115 PolarHBondContact O-N 2.98Å; E111-R115 VanDerWaalsContact O-N 3.11Å; E111-R115 IonicContact OE1-CZ 3.17Å; E111-R115 IonicContact OE1-NE 3.76Å; E111-R115 PolarHBondContact OE1-NE 3.15Å; E111-R115 IonicContact OE1-NH2 2.71Å; E111-R115 PolarHBondContact OE1-NH2 3.03Å; T112-R115 PolarHBondContact O-N 3.29Å; N113-R115 PolarHBondContact O-N 3.17Å; N113-R115 VanDerWaalsContact O-N 3.14Å; R115-Q119 VanDerWaalsContact O-CG 3.31Å; R115-Q119 WeakPolarHBondContact O-CG 3.4Å; R115-Q119 PolarHBondContact O-NE2 3.06Å; R115-L191 HydrophobicContact CB-CD2 3.59Å; R115-S194 VanDerWaalsContact CZ-OG 3.28Å; R115-S194 PolarHBondContact NH1-OG 3.35Å; R115-S194 VanDerWaalsContact NH1-OG 3.11Å; R115-S194 PolarHBondContact NH2-OG 2.94Å
116	L	94.6	Very high	92	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-94.9	-23.9	-178.4	-78.7	177.7	0	0	0	114.2	T112 N113 D118 Q119 T123 L125 C139 A141 V146 L191	T112-L116 HydrophobicContact CG2-CD1 3.86Å; T112-L116 WeakPolarHBondContact O-CB 3.16Å; T112-L116 PolarHBondContact O-N 3.49Å; N113-L116 PolarHBondContact O-N 2.86Å; N113-L116 VanDerWaalsContact O-N 3.17Å; L116-D118 PolarHBondContact O-N 2.57Å; L116-Q119 VanDerWaalsContact O-CB 3.28Å; L116-Q119 WeakPolarHBondContact O-CB 3.13Å; L116-Q119 WeakPolarHBondContact O-CG 3.08Å; L116-Q119 PolarHBondContact O-N 3.34Å; L116-Q119 VanDerWaalsContact O-N 3.12Å; L116-T123 HydrophobicContact CD2-CG2 3.84Å; L116-L125 HydrophobicContact CD1-CD2 4Å; L116-L125 HydrophobicContact CD1-CG 4.03Å; L116-L125 HydrophobicContact CG-CD2 4.12Å; L116-C139 HydrophobicContact CD1-CB 3.57Å; L116-A141 HydrophobicContact CB-CB 4.45Å; L116-A141 HydrophobicContact CD2-CB 4.3Å; L116-A141 WeakPolarHBondContact O-CB 3.11Å; L116-V146 HydrophobicContact CB-CB 4.4Å; L116-V146 HydrophobicContact CB-CG1 3.96Å; L116-V146 HydrophobicContact CB-CG2 3.52Å; L116-V146 HydrophobicContact CD1-CG1 3.72Å; L116-L191 HydrophobicContact CD2-CB 4.08Å; L116-L191 HydrophobicContact CD2-CD1 4.28Å; L116-L191 HydrophobicContact CD2-CD2 3.76Å; L116-L191 HydrophobicContact CD2-CG 4.29Å; L116-L191 HydrophobicContact CG-CD2 3.93Å
117	T	94.9	Very high	92.5	Very high	62 Å²	62	49.5 Å²	49.5	38%	0.38	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	136.6	174.8	-67.1	0	0	0	0	110.1	N113 Q119	N113-T117 WeakPolarHBondContact O-CB 3.32Å; N113-T117 PolarHBondContact O-N 2.94Å; N113-T117 PolarHBondContact O-OG1 3.29Å; T117-Q119 PolarHBondContact O-N 3.28Å; T117-Q119 VanDerWaalsContact O-N 3.09Å
118	D	93.3	Very high	92.6	Very high	133 Å²	133	51.7 Å²	51.7	71%	0.711	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	12	-176.7	-57.4	-41	0	0	0	116.2	L116	L116-D118 PolarHBondContact O-N 2.57Å
119	Q	94.8	Very high	92.4	Very high	59 Å²	59	49.7 Å²	49.7	28%	0.276	24%	0.242	S	C	.	.			trans	-72.8	146.1	167	-67.3	-67.4	-28.8	0	0	110.5	R115 L116 T117 T123 A141 L191	R115-Q119 VanDerWaalsContact O-CG 3.31Å; R115-Q119 WeakPolarHBondContact O-CG 3.4Å; R115-Q119 PolarHBondContact O-NE2 3.06Å; L116-Q119 VanDerWaalsContact O-CB 3.28Å; L116-Q119 WeakPolarHBondContact O-CB 3.13Å; L116-Q119 WeakPolarHBondContact O-CG 3.08Å; L116-Q119 PolarHBondContact O-N 3.34Å; L116-Q119 VanDerWaalsContact O-N 3.12Å; T117-Q119 PolarHBondContact O-N 3.28Å; T117-Q119 VanDerWaalsContact O-N 3.09Å; Q119-T123 HydrophobicContact CB-CG2 4.01Å; Q119-T123 HydrophobicContact CG-CG2 4.26Å; Q119-A141 HydrophobicContact CB-CB 3.85Å; Q119-L191 HydrophobicContact CG-CD1 4.09Å
120	P	96.1	Very high	91.8	Very high	80 Å²	80	47.4 Å²	47.4	52%	0.519	24%	0.242	S	C	.	.			trans	-44.7	142.8	169.5	-32.6	23.3	0	0	0	114.8	G122 T123 R189	P120-G122 PolarHBondContact O-N 3.16Å; P120-T123 WeakPolarHBondContact O-CB 3.43Å; P120-T123 PolarHBondContact O-N 2.69Å; P120-T123 VanDerWaalsContact O-N 3.14Å; P120-T123 PolarHBondContact O-OG1 3Å; P120-R189 VanDerWaalsContact CB-NH2 3.34Å
121	D	97.2	Very high	91.5	Very high	68 Å²	68	46.9 Å²	46.9	36%	0.364	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	136.4	-178	-71.1	-7.8	0	0	0	112.2	T123 A141 F142 R143	D121-T123 VanDerWaalsContact C-N 3.35Å; D121-A141 WeakPolarHBondContact CA-O 3.41Å; D121-F142 HydrophobicContact CB-CD2 4.21Å; D121-F142 WeakPolarHBondContact OD1-CA 3.03Å; D121-R143 PolarHBondContact OD1-N 3.3Å
122	G	95.7	Very high	91.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	7.8	-176.7	0	0	0	0	0	114.5	P120 A141 K186 V188 R189	P120-G122 PolarHBondContact O-N 3.16Å; G122-A141 PolarHBondContact N-O 2.87Å; G122-K186 WeakPolarHBondContact CA-O 3.45Å; G122-V188 PolarHBondContact O-N 3.31Å; G122-R189 PolarHBondContact O-N 2.93Å
123	T	95.6	Very high	90.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.6	168	-51.4	0	0	0	0	109.8	L116 Q119 P120 D121 I140 A141 R189 L191	L116-T123 HydrophobicContact CD2-CG2 3.84Å; Q119-T123 HydrophobicContact CB-CG2 4.01Å; Q119-T123 HydrophobicContact CG-CG2 4.26Å; P120-T123 WeakPolarHBondContact O-CB 3.43Å; P120-T123 PolarHBondContact O-N 2.69Å; P120-T123 VanDerWaalsContact O-N 3.14Å; P120-T123 PolarHBondContact O-OG1 3Å; D121-T123 VanDerWaalsContact C-N 3.35Å; T123-I140 CarbonylContact O-C 3.57Å; T123-I140 WeakPolarHBondContact O-CA 3.45Å; T123-A141 PolarHBondContact O-N 3.33Å; T123-R189 CarbonylContact C-O 3.49Å; T123-R189 VanDerWaalsContact CA-O 3.28Å; T123-R189 WeakPolarHBondContact CA-O 3.26Å; T123-R189 HydrophobicContact CG2-CG 4.23Å; T123-R189 PolarHBondContact OG1-NE 3.3Å; T123-R189 PolarHBondContact OG1-NH2 3.17Å; T123-L191 HydrophobicContact CG2-CB 4.08Å; T123-L191 HydrophobicContact CG2-CD1 3.93Å
124	F	96	Very high	89.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	159.3	-171.8	73.5	-81.2	0	0	0	114.5	F98 W102 L138 C139 I140 V173 L187 R189 P190 L191	F98-F124 HydrophobicContact CD2-CE1 4.21Å; F98-F124 AromaticContact CD2-CZ 3.82Å; F98-F124 HydrophobicContact CD2-CZ 3.82Å; F98-F124 AromaticContact CE2-CE1 3.9Å; F98-F124 HydrophobicContact CE2-CE1 3.9Å; F98-F124 AromaticContact CE2-CZ 3.93Å; F98-F124 HydrophobicContact CE2-CZ 3.93Å; W102-F124 HydrophobicContact CB-CD2 3.93Å; W102-F124 HydrophobicContact CB-CE2 3.36Å; W102-F124 HydrophobicContact CB-CZ 3.96Å; W102-F124 HydrophobicContact CD2-CE2 4.4Å; W102-F124 AromaticContact CG-CE2 3.66Å; W102-F124 HydrophobicContact CG-CE2 3.66Å; W102-F124 HydrophobicContact CG-CZ 4.15Å; F124-L138 HydrophobicContact CB-CD1 4.3Å; F124-L138 HydrophobicContact CD2-CD1 4.03Å; F124-C139 CarbonylContact C-O 3.55Å; F124-C139 WeakPolarHBondContact CA-O 3.5Å; F124-C139 WeakPolarHBondContact CB-O 3.49Å; F124-I140 HydrophobicContact CB-CG1 4.3Å; F124-V173 HydrophobicContact CE2-CG1 3.81Å; F124-V173 HydrophobicContact CE2-CG2 4.14Å; F124-V173 HydrophobicContact CZ-CG1 3.74Å; F124-L187 HydrophobicContact CB-CD2 3.75Å; F124-L187 HydrophobicContact CD1-CB 3.7Å; F124-L187 HydrophobicContact CD1-CD1 4.49Å; F124-L187 HydrophobicContact CD1-CD2 4.04Å; F124-L187 HydrophobicContact CD1-CG 4.26Å; F124-L187 HydrophobicContact CD2-CD1 3.95Å; F124-L187 HydrophobicContact CD2-CD2 4.14Å; F124-L187 HydrophobicContact CD2-CG 4.45Å; F124-L187 HydrophobicContact CE1-CB 3.69Å; F124-L187 HydrophobicContact CE1-CD1 4.48Å; F124-L187 HydrophobicContact CE2-CD1 3.91Å; F124-L187 HydrophobicContact CG-CB 4.2Å; F124-L187 HydrophobicContact CG-CD1 4.25Å; F124-L187 HydrophobicContact CG-CD2 3.72Å; F124-L187 HydrophobicContact CG-CG 4.25Å; F124-L187 HydrophobicContact CZ-CB 4.15Å; F124-L187 HydrophobicContact CZ-CD1 4.19Å; F124-R189 VanDerWaalsContact CD1-C 3.48Å; F124-R189 WeakPolarHBondContact CD1-O 3.32Å; F124-R189 WeakPolarHBondContact CE1-O 3.48Å; F124-R189 PolarHBondContact N-O 2.84Å; F124-P190 HydrophobicContact CZ-CB 4.42Å; F124-P190 CarbonylContact O-C 3.6Å; F124-P190 WeakPolarHBondContact O-CA 3.1Å; F124-L191 PolarHBondContact O-N 2.77Å
125	L	92.8	Very high	89.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	158.6	164	68.6	86.1	0	0	0	109.8	W102 H104 I107 T112 L116 R127 C139 L191	W102-L125 CarbonylContact O-C 3.57Å; W102-L125 WeakPolarHBondContact O-CA 3.4Å; W102-L125 WeakPolarHBondContact O-CB 3.45Å; H104-L125 HydrophobicContact CB-CD1 4.3Å; I107-L125 HydrophobicContact CG2-CD1 4.3Å; T112-L125 HydrophobicContact CG2-CD1 3.99Å; T112-L125 HydrophobicContact CG2-CD2 3.99Å; T112-L125 HydrophobicContact CG2-CG 4.22Å; L116-L125 HydrophobicContact CD1-CD2 4Å; L116-L125 HydrophobicContact CD1-CG 4.03Å; L116-L125 HydrophobicContact CG-CD2 4.12Å; L125-R127 HydrophobicContact CD1-CB 4.03Å; L125-R127 HydrophobicContact CD1-CG 4.35Å; L125-C139 HydrophobicContact CD1-CB 4.18Å; L125-C139 HydrophobicContact CG-CB 4.2Å; L125-C139 PolarHBondContact N-O 2.86Å; L125-C139 PolarHBondContact O-N 3.4Å; L125-L191 HydrophobicContact CB-CB 4.43Å; L125-L191 HydrophobicContact CD2-CB 4.46Å; L125-L191 HydrophobicContact CD2-CD2 3.65Å
126	I	90.1	Very high	89.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.6	168.7	-60.2	-176.2	0	0	0	108.2	W102 F103 H104 Y136 T137 L138 I151 L169 L172 V173	W102-I126 HydrophobicContact CE3-CB 3.86Å; W102-I126 HydrophobicContact CE3-CD1 3.74Å; W102-I126 HydrophobicContact CE3-CG1 3.88Å; W102-I126 HydrophobicContact CZ3-CB 4.12Å; W102-I126 HydrophobicContact CZ3-CD1 3.74Å; W102-I126 HydrophobicContact CZ3-CG1 4.25Å; W102-I126 PolarHBondContact O-N 3.46Å; F103-I126 CarbonylContact C-O 3.53Å; F103-I126 WeakPolarHBondContact CA-O 3.46Å; F103-I126 HydrophobicContact CD2-CB 4.22Å; F103-I126 HydrophobicContact CD2-CG2 4.02Å; F103-I126 HydrophobicContact CE2-CG2 4.28Å; H104-I126 PolarHBondContact N-O 3.02Å; I126-Y136 HydrophobicContact CG2-CG 4.47Å; I126-T137 WeakPolarHBondContact CA-O 3.47Å; I126-L138 HydrophobicContact CD1-CD1 4.23Å; I126-L138 HydrophobicContact CG1-CB 4.38Å; I126-L138 HydrophobicContact CG1-CD1 3.74Å; I126-I151 HydrophobicContact CD1-CD1 3.9Å; I126-I151 HydrophobicContact CG1-CD1 4.33Å; I126-I151 HydrophobicContact CG2-CD1 3.94Å; I126-L169 HydrophobicContact CD1-CD2 4.1Å; I126-L169 HydrophobicContact CG2-CD1 4.33Å; I126-L169 HydrophobicContact CG2-CD2 4.2Å; I126-L172 HydrophobicContact CD1-CD2 4.35Å; I126-V173 HydrophobicContact CD1-CG2 3.54Å
127	R	85.8	Confident	89.2	Confident	7 Å²	7	50.1 Å²	50.1	3%	0.026	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	164.1	175.5	65.2	-176	-177.2	87.9	2	110.9	G105 I107 T112 L125 Y136 T137	G105-R127 CarbonylContact O-C 3.41Å; G105-R127 VanDerWaalsContact O-CA 3.26Å; G105-R127 WeakPolarHBondContact O-CA 3.05Å; G105-R127 WeakPolarHBondContact O-CB 3.37Å; I107-R127 HydrophobicContact CG2-CB 3.36Å; I107-R127 HydrophobicContact CG2-CG 4.27Å; I107-R127 WeakPolarHBondContact O-CD 3.45Å; T112-R127 WeakPolarHBondContact OG1-CD 3.02Å; L125-R127 HydrophobicContact CD1-CB 4.03Å; L125-R127 HydrophobicContact CD1-CG 4.35Å; R127-Y136 CarbonylContact O-C 3.54Å; R127-Y136 VanDerWaalsContact O-CA 3.32Å; R127-Y136 WeakPolarHBondContact O-CA 3.23Å; R127-Y136 WeakPolarHBondContact O-CB 3.28Å; R127-T137 PolarHBondContact N-O 3.45Å; R127-T137 PolarHBondContact O-N 3.49Å
128	E	80.8	Confident	89.3	Confident	65 Å²	65	47.1 Å²	47.1	30%	0.304	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	140.8	167.3	-67.3	175.5	179.7	0	0	110	F103 G105 T130 Y136	F103-E128 HydrophobicContact CZ-CG 4.18Å; G105-E128 PolarHBondContact O-N 3.49Å; E128-T130 PolarHBondContact O-N 2.88Å; E128-Y136 HydrophobicContact CG-CD1 4.3Å; E128-Y136 HydrophobicContact CG-CE1 4.23Å
129	S	84.3	Confident	89.5	Confident	13 Å²	13	40.8 Å²	40.8	9%	0.091	23%	0.229	C	C	.	.			trans	-73.3	119	177.7	178.1	0	0	0	0	110	N131 Y132 D135	S129-N131 VanDerWaalsContact C-N 3.31Å; S129-N131 PolarHBondContact O-N 3.38Å; S129-Y132 WeakPolarHBondContact CB-O 3.43Å; S129-Y132 WeakPolarHBondContact OG-CB 3.39Å; S129-Y132 PolarHBondContact OG-N 2.88Å; S129-Y132 VanDerWaalsContact OG-N 3.14Å; S129-D135 VanDerWaalsContact CB-O 3.27Å; S129-D135 WeakPolarHBondContact CB-O 3.43Å; S129-D135 PolarHBondContact N-O 3.48Å
130	T	80	Confident	89.6	Confident	78 Å²	78	38 Å²	38	48%	0.479	22%	0.216	S	C	.	.	S	Bend	trans	-70.9	-28.1	177.2	51.3	0	0	0	0	112.7	E128	E128-T130 PolarHBondContact O-N 2.88Å
131	N	85.4	Confident	89.7	Confident	115 Å²	115	34.2 Å²	34.2	62%	0.615	19%	0.192	S	C	*	.	S	Bend	trans	-95.4	-21.4	-174.5	-64.4	-11.3	0	0	0	112.6	S129	S129-N131 VanDerWaalsContact C-N 3.31Å; S129-N131 PolarHBondContact O-N 3.38Å
132	Y	88.8	Confident	89.8	Confident	113 Å²	113	33 Å²	33	44%	0.443	18%	0.183	S	C	.	.	S	Bend	trans	-134.4	87	-175.2	-55.2	-76.1	0	0	0	109.1	S129 G134 D135	S129-Y132 WeakPolarHBondContact CB-O 3.43Å; S129-Y132 WeakPolarHBondContact OG-CB 3.39Å; S129-Y132 PolarHBondContact OG-N 2.88Å; S129-Y132 VanDerWaalsContact OG-N 3.14Å; Y132-G134 PolarHBondContact O-N 2.66Å; Y132-D135 WeakPolarHBondContact O-CB 3.45Å; Y132-D135 PolarHBondContact O-N 3.32Å; Y132-D135 VanDerWaalsContact O-N 3.13Å
133	P	78.4	Confident	89.8	Confident	123 Å²	123	42 Å²	42	80%	0.799	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	131.6	179.8	-26.3	35.1	0	0	0	112
134	G	73.8	Confident	89.7	Confident	50 Å²	50	43.3 Å²	43.3	52%	0.515	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	-17.8	-177.7	0	0	0	0	0	114.9	Y132 N153	Y132-G134 PolarHBondContact O-N 2.66Å; G134-N153 VanDerWaalsContact O-CB 3.3Å; G134-N153 WeakPolarHBondContact O-CB 3.4Å; G134-N153 PolarHBondContact O-ND2 2.59Å
135	D	87.4	Confident	89.7	Confident	17 Å²	17	48.2 Å²	48.2	9%	0.091	26%	0.257	C	S	.	.			trans	-93.9	169.2	172.1	-72.1	-8.9	0	0	0	111.7	S129 Y132 R150 I151 N153	S129-D135 VanDerWaalsContact CB-O 3.27Å; S129-D135 WeakPolarHBondContact CB-O 3.43Å; S129-D135 PolarHBondContact N-O 3.48Å; Y132-D135 WeakPolarHBondContact O-CB 3.45Å; Y132-D135 PolarHBondContact O-N 3.32Å; Y132-D135 VanDerWaalsContact O-N 3.13Å; D135-R150 IonicContact OD2-CZ 3.97Å; D135-R150 IonicContact OD2-NE 3.22Å; D135-R150 PolarHBondContact OD2-NE 3.45Å; D135-R150 IonicContact OD2-NH2 3.69Å; D135-R150 PolarHBondContact OD2-NH2 3.31Å; D135-I151 VanDerWaalsContact CB-O 3.3Å; D135-I151 WeakPolarHBondContact CB-O 3.29Å; D135-N153 PolarHBondContact OD1-N 2.94Å
136	Y	89	Confident	90	Very high	58 Å²	58	49.2 Å²	49.2	23%	0.227	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	172.4	174.8	-53.5	-86.5	0	0	0	111.2	F103 I126 R127 E128 I151 L158 L169	F103-Y136 AromaticContact CE2-CD1 3.77Å; F103-Y136 HydrophobicContact CE2-CD1 3.77Å; F103-Y136 AromaticContact CE2-CE1 3.81Å; F103-Y136 HydrophobicContact CE2-CE1 3.81Å; F103-Y136 HydrophobicContact CZ-CD1 4.34Å; F103-Y136 HydrophobicContact CZ-CE1 4.01Å; I126-Y136 HydrophobicContact CG2-CG 4.47Å; R127-Y136 CarbonylContact O-C 3.54Å; R127-Y136 VanDerWaalsContact O-CA 3.32Å; R127-Y136 WeakPolarHBondContact O-CA 3.23Å; R127-Y136 WeakPolarHBondContact O-CB 3.28Å; E128-Y136 HydrophobicContact CG-CD1 4.3Å; E128-Y136 HydrophobicContact CG-CE1 4.23Å; Y136-I151 PolarHBondContact N-O 3.36Å; Y136-I151 PolarHBondContact O-N 3.46Å; Y136-L158 HydrophobicContact CD2-CD2 4.04Å; Y136-L158 HydrophobicContact CE2-CD2 4Å; Y136-L169 HydrophobicContact CD1-CD1 4.13Å; Y136-L169 HydrophobicContact CD2-CD1 4.29Å; Y136-L169 HydrophobicContact CD2-CD2 4.06Å; Y136-L169 HydrophobicContact CE1-CD1 4.08Å; Y136-L169 HydrophobicContact CE2-CD1 4.27Å; Y136-L169 HydrophobicContact CG-CD1 4.22Å; Y136-L169 HydrophobicContact CG-CD2 4.23Å
137	T	94.2	Very high	90.3	Very high	11 Å²	11	53.2 Å²	53.2	7%	0.067	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	118.4	173.2	-52.8	0	0	0	0	109.3	I126 R127 H148 Y149	I126-T137 WeakPolarHBondContact CA-O 3.47Å; R127-T137 PolarHBondContact N-O 3.45Å; R127-T137 PolarHBondContact O-N 3.49Å; T137-H148 HydrophobicContact CG2-CB 4.02Å; T137-Y149 CarbonylContact C-O 3.58Å; T137-Y149 VanDerWaalsContact CA-O 3.26Å; T137-Y149 WeakPolarHBondContact CA-O 3.22Å; T137-Y149 WeakPolarHBondContact CG2-O 3.42Å
138	L	96.1	Very high	90.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.7	168.8	172.1	63	0	0	0	108.8	F124 I126 I140 Y149 I151 Y176 L183 L187	F124-L138 HydrophobicContact CB-CD1 4.3Å; F124-L138 HydrophobicContact CD2-CD1 4.03Å; I126-L138 HydrophobicContact CD1-CD1 4.23Å; I126-L138 HydrophobicContact CG1-CB 4.38Å; I126-L138 HydrophobicContact CG1-CD1 3.74Å; L138-I140 HydrophobicContact CD1-CG1 4.24Å; L138-I140 HydrophobicContact CD2-CD1 4.05Å; L138-I140 HydrophobicContact CD2-CG1 4.45Å; L138-I140 HydrophobicContact CG-CD1 4.14Å; L138-I140 HydrophobicContact CG-CG1 3.99Å; L138-Y149 PolarHBondContact N-O 3.47Å; L138-Y149 PolarHBondContact O-N 3.47Å; L138-I151 HydrophobicContact CB-CD1 3.91Å; L138-I151 HydrophobicContact CB-CG1 4.19Å; L138-Y176 HydrophobicContact CD2-CD2 4.5Å; L138-L183 HydrophobicContact CD2-CD1 3.86Å; L138-L183 HydrophobicContact CD2-CD2 4.42Å; L138-L187 HydrophobicContact CD1-CD1 4.28Å; L138-L187 HydrophobicContact CD1-CD2 4.05Å; L138-L187 HydrophobicContact CD2-CD2 4.32Å
139	C	97.3	Very high	91.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.9	-178.2	-51.2	0	0	0	0	108.7	T112 L116 F124 L125 V146 E147	T112-C139 HydrophobicContact CG2-CB 3.65Å; L116-C139 HydrophobicContact CD1-CB 3.57Å; F124-C139 CarbonylContact C-O 3.55Å; F124-C139 WeakPolarHBondContact CA-O 3.5Å; F124-C139 WeakPolarHBondContact CB-O 3.49Å; L125-C139 HydrophobicContact CD1-CB 4.18Å; L125-C139 HydrophobicContact CG-CB 4.2Å; L125-C139 PolarHBondContact N-O 2.86Å; L125-C139 PolarHBondContact O-N 3.4Å; C139-V146 HydrophobicContact CB-CG1 4.32Å; C139-E147 CarbonylContact C-O 3.47Å; C139-E147 VanDerWaalsContact CA-O 3.27Å; C139-E147 WeakPolarHBondContact CA-O 3.32Å
140	I	97.9	Very high	92.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.3	-174.1	-49.9	175.7	0	0	0	109.3	T123 F124 L138 V146 E147 Y149 L183 L187	T123-I140 CarbonylContact O-C 3.57Å; T123-I140 WeakPolarHBondContact O-CA 3.45Å; F124-I140 HydrophobicContact CB-CG1 4.3Å; L138-I140 HydrophobicContact CD1-CG1 4.24Å; L138-I140 HydrophobicContact CD2-CD1 4.05Å; L138-I140 HydrophobicContact CD2-CG1 4.45Å; L138-I140 HydrophobicContact CG-CD1 4.14Å; L138-I140 HydrophobicContact CG-CG1 3.99Å; I140-V146 WeakPolarHBondContact O-CA 3.14Å; I140-E147 PolarHBondContact N-O 3.42Å; I140-E147 PolarHBondContact O-N 2.81Å; I140-Y149 HydrophobicContact CD1-CD2 4.01Å; I140-Y149 HydrophobicContact CD1-CE2 3.79Å; I140-Y149 HydrophobicContact CG1-CD2 4.4Å; I140-Y149 HydrophobicContact CG1-CE2 4.34Å; I140-L183 HydrophobicContact CD1-CB 4.27Å; I140-L183 HydrophobicContact CD1-CD1 3.85Å; I140-L183 HydrophobicContact CD1-CG 4.46Å; I140-L187 HydrophobicContact CD1-CD2 3.6Å; I140-L187 HydrophobicContact CG1-CD2 3.85Å
141	A	97.9	Very high	92.8	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	125.8	168.9	0	0	0	0	0	109.9	L116 Q119 D121 G122 T123 N145	L116-A141 HydrophobicContact CB-CB 4.45Å; L116-A141 HydrophobicContact CD2-CB 4.3Å; L116-A141 WeakPolarHBondContact O-CB 3.11Å; Q119-A141 HydrophobicContact CB-CB 3.85Å; D121-A141 WeakPolarHBondContact CA-O 3.41Å; G122-A141 PolarHBondContact N-O 2.87Å; T123-A141 PolarHBondContact O-N 3.33Å; A141-N145 WeakPolarHBondContact CA-O 3.42Å
142	F	97.8	Very high	93.1	Very high	42 Å²	42	50.1 Å²	50.1	18%	0.184	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	126.2	177.2	-176.1	-119.7	0	0	0	110.8	D121 G144 N145 C184 H185	D121-F142 HydrophobicContact CB-CD2 4.21Å; D121-F142 WeakPolarHBondContact OD1-CA 3.03Å; F142-G144 VanDerWaalsContact C-N 3.29Å; F142-G144 PolarHBondContact O-N 2.75Å; F142-N145 PolarHBondContact N-O 3.43Å; F142-N145 PolarHBondContact O-N 3.11Å; F142-C184 HydrophobicContact CD1-CB 3.83Å; F142-C184 HydrophobicContact CE1-CB 4.26Å; F142-C184 HydrophobicContact CG-CB 4.23Å; F142-H185 HydrophobicContact CD2-CB 3.89Å; F142-H185 AromaticContact CD2-CD2 3.93Å; F142-H185 HydrophobicContact CE2-CB 4.3Å; F142-H185 AromaticContact CE2-CD2 3.79Å; F142-H185 HydrophobicContact CG-CB 4.48Å
143	R	96.1	Very high	93	Very high	190 Å²	190	47.9 Å²	47.9	72%	0.717	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	44	178.8	-61.1	-178.7	172.7	-173.9	-1.4	113.3	D121 N145	D121-R143 PolarHBondContact OD1-N 3.3Å; R143-N145 PolarHBondContact O-N 3.27Å; R143-N145 PolarHBondContact O-ND2 3.1Å
144	G	94.6	Very high	93.3	Very high	27 Å²	27	45.2 Å²	45.2	28%	0.278	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	-5.4	-179	0	0	0	0	0	115	F142	F142-G144 VanDerWaalsContact C-N 3.29Å; F142-G144 PolarHBondContact O-N 2.75Å
145	N	96.1	Very high	93.5	Very high	103 Å²	103	50.5 Å²	50.5	55%	0.551	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	171.4	179.7	-64.7	-75.9	0	0	0	111.2	A141 F142 R143	A141-N145 WeakPolarHBondContact CA-O 3.42Å; F142-N145 PolarHBondContact N-O 3.43Å; F142-N145 PolarHBondContact O-N 3.11Å; R143-N145 PolarHBondContact O-N 3.27Å; R143-N145 PolarHBondContact O-ND2 3.1Å
146	V	97.5	Very high	92.9	Very high	20 Å²	20	56.1 Å²	56.1	12%	0.121	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	115.3	179.8	-173	0	0	0	0	109.5	N113 L116 C139 I140 H148	N113-V146 WeakPolarHBondContact OD1-CB 3.33Å; L116-V146 HydrophobicContact CB-CB 4.4Å; L116-V146 HydrophobicContact CB-CG1 3.96Å; L116-V146 HydrophobicContact CB-CG2 3.52Å; L116-V146 HydrophobicContact CD1-CG1 3.72Å; C139-V146 HydrophobicContact CB-CG1 4.32Å; I140-V146 WeakPolarHBondContact O-CA 3.14Å; V146-H148 WeakPolarHBondContact CG1-NE2 2.85Å; V146-H148 PolarHBondContact O-CD2 3.25Å; V146-H148 VanDerWaalsContact O-CD2 3.32Å
147	E	97.7	Very high	92.3	Very high	85 Å²	85	56.1 Å²	56.1	40%	0.397	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137.7	175.4	-66.2	-58.5	152.3	0	0	110.4	C139 I140 Y149 C184	C139-E147 CarbonylContact C-O 3.47Å; C139-E147 VanDerWaalsContact CA-O 3.27Å; C139-E147 WeakPolarHBondContact CA-O 3.32Å; I140-E147 PolarHBondContact N-O 3.42Å; I140-E147 PolarHBondContact O-N 2.81Å; E147-Y149 HydrophobicContact CB-CE2 3.71Å; E147-C184 HydrophobicContact CG-CB 4.17Å
148	H	97	Very high	91.8	Very high	39 Å²	39	56 Å²	56	18%	0.181	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	113	-176.1	-65.6	-110	0	0	0	110	N113 T137 V146	N113-H148 PolarHBondContact OD1-CE1 2.96Å; N113-H148 PolarHBondContact OD1-NE2 3.45Å; T137-H148 HydrophobicContact CG2-CB 4.02Å; V146-H148 WeakPolarHBondContact CG1-NE2 2.85Å; V146-H148 PolarHBondContact O-CD2 3.25Å; V146-H148 VanDerWaalsContact O-CD2 3.32Å
149	Y	96.7	Very high	91.6	Very high	54 Å²	54	56 Å²	56	21%	0.212	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128	176.8	-59.7	-87.6	0	0	0	109.8	T137 L138 I140 E147 L183 C184	T137-Y149 CarbonylContact C-O 3.58Å; T137-Y149 VanDerWaalsContact CA-O 3.26Å; T137-Y149 WeakPolarHBondContact CA-O 3.22Å; T137-Y149 WeakPolarHBondContact CG2-O 3.42Å; L138-Y149 PolarHBondContact N-O 3.47Å; L138-Y149 PolarHBondContact O-N 3.47Å; I140-Y149 HydrophobicContact CD1-CD2 4.01Å; I140-Y149 HydrophobicContact CD1-CE2 3.79Å; I140-Y149 HydrophobicContact CG1-CD2 4.4Å; I140-Y149 HydrophobicContact CG1-CE2 4.34Å; E147-Y149 HydrophobicContact CB-CE2 3.71Å; Y149-L183 HydrophobicContact CD1-CD2 3.58Å; Y149-L183 HydrophobicContact CD2-CD2 3.82Å; Y149-L183 HydrophobicContact CE1-CD2 3.69Å; Y149-L183 HydrophobicContact CE2-CD2 3.92Å; Y149-L183 HydrophobicContact CG-CD2 3.65Å; Y149-C184 VanDerWaalsContact OH-CB 3.24Å; Y149-C184 WeakPolarHBondContact OH-CB 3.39Å; Y149-C184 PolarHBondContact OH-N 3.03Å; Y149-C184 PolarHBondContact OH-SG 2.96Å
150	R	95.8	Very high	91.4	Very high	80 Å²	80	57.1 Å²	57.1	30%	0.302	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	131.9	172.8	-177.6	174.9	176.8	-170.4	-4	109	D135 F152	D135-R150 IonicContact OD2-CZ 3.97Å; D135-R150 IonicContact OD2-NE 3.22Å; D135-R150 PolarHBondContact OD2-NE 3.45Å; D135-R150 IonicContact OD2-NH2 3.69Å; D135-R150 PolarHBondContact OD2-NH2 3.31Å; R150-F152 HydrophobicContact CB-CE2 4.28Å; R150-F152 HydrophobicContact CB-CZ 4.36Å; R150-F152 HydrophobicContact CG-CD1 4.4Å; R150-F152 HydrophobicContact CG-CD2 4.43Å; R150-F152 HydrophobicContact CG-CE1 4.23Å; R150-F152 HydrophobicContact CG-CE2 4.23Å; R150-F152 HydrophobicContact CG-CZ 4.14Å; R150-F152 VanDerWaalsContact CZ-CE1 3.49Å
151	I	93.5	Very high	91.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	110.5	168.3	-58.8	162.5	0	0	0	106.7	I126 D135 Y136 L138 L158 T159 L169 L172	I126-I151 HydrophobicContact CD1-CD1 3.9Å; I126-I151 HydrophobicContact CG1-CD1 4.33Å; I126-I151 HydrophobicContact CG2-CD1 3.94Å; D135-I151 VanDerWaalsContact CB-O 3.3Å; D135-I151 WeakPolarHBondContact CB-O 3.29Å; Y136-I151 PolarHBondContact N-O 3.36Å; Y136-I151 PolarHBondContact O-N 3.46Å; L138-I151 HydrophobicContact CB-CD1 3.91Å; L138-I151 HydrophobicContact CB-CG1 4.19Å; I151-L158 HydrophobicContact CG2-CB 3.96Å; I151-L158 HydrophobicContact CG2-CD2 4.09Å; I151-T159 CarbonylContact C-O 3.56Å; I151-T159 WeakPolarHBondContact CA-O 3.38Å; I151-L169 HydrophobicContact CD1-CD2 3.85Å; I151-L169 HydrophobicContact CG2-CD2 4.38Å; I151-L172 HydrophobicContact CD1-CD1 4.34Å; I151-L172 HydrophobicContact CD1-CD2 4.18Å; I151-L172 HydrophobicContact CG1-CD1 4.23Å; I151-L172 HydrophobicContact CG2-CD1 3.67Å
152	F	92.4	Very high	90.7	Very high	40 Å²	40	63.8 Å²	63.8	18%	0.175	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	137.2	178.2	-57.8	-95.5	0	0	0	110.1	R150 E154 L158 T159 H162	R150-F152 HydrophobicContact CB-CE2 4.28Å; R150-F152 HydrophobicContact CB-CZ 4.36Å; R150-F152 HydrophobicContact CG-CD1 4.4Å; R150-F152 HydrophobicContact CG-CD2 4.43Å; R150-F152 HydrophobicContact CG-CE1 4.23Å; R150-F152 HydrophobicContact CG-CE2 4.23Å; R150-F152 HydrophobicContact CG-CZ 4.14Å; R150-F152 VanDerWaalsContact CZ-CE1 3.49Å; F152-E154 HydrophobicContact CB-CG 4.04Å; F152-L158 VanDerWaalsContact O-CA 3.28Å; F152-L158 WeakPolarHBondContact O-CA 3.41Å; F152-T159 HydrophobicContact CB-CG2 3.9Å; F152-T159 HydrophobicContact CD2-CG2 4.41Å; F152-T159 PolarHBondContact N-O 3.48Å; F152-T159 PolarHBondContact O-N 3.25Å; F152-H162 AromaticContact CD1-CE1 3.76Å; F152-H162 AromaticContact CD2-CE1 3.56Å; F152-H162 AromaticContact CD2-NE2 3.73Å; F152-H162 AromaticContact CE1-CE1 3.83Å; F152-H162 AromaticContact CE1-NE2 3.88Å; F152-H162 AromaticContact CE2-CE1 3.66Å; F152-H162 AromaticContact CE2-NE2 3.34Å; F152-H162 VanDerWaalsContact CE2-NE2 3.34Å; F152-H162 WeakPolarHBondContact CE2-NE2 3.13Å; F152-H162 AromaticContact CG-CE1 3.62Å; F152-H162 AromaticContact CZ-CE1 3.78Å; F152-H162 AromaticContact CZ-NE2 3.41Å; F152-H162 WeakPolarHBondContact CZ-NE2 3.31Å
153	N	85.3	Confident	90.3	Very high	65 Å²	65	69.9 Å²	69.9	35%	0.348	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	89.6	171.5	-175.3	1	0	0	0	109.7	G134 D135 M157 L158	G134-N153 VanDerWaalsContact O-CB 3.3Å; G134-N153 WeakPolarHBondContact O-CB 3.4Å; G134-N153 PolarHBondContact O-ND2 2.59Å; D135-N153 PolarHBondContact OD1-N 2.94Å; N153-M157 CarbonylContact C-O 3.56Å; N153-M157 WeakPolarHBondContact CA-O 3.27Å; N153-L158 HydrophobicContact CB-CD2 3.99Å
154	E	84.8	Confident	89.9	Confident	68 Å²	68	61.8 Å²	61.8	32%	0.318	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.3	-175.2	-65.4	179.3	179.7	0	0	109.7	F152 L156 M157 H162	F152-E154 HydrophobicContact CB-CG 4.04Å; E154-L156 PolarHBondContact O-N 3.38Å; E154-L156 VanDerWaalsContact O-N 3.15Å; E154-M157 PolarHBondContact N-O 3.24Å; E154-M157 WeakPolarHBondContact O-CB 3.34Å; E154-M157 PolarHBondContact O-N 2.92Å; E154-M157 VanDerWaalsContact O-O 3.13Å; E154-H162 IonicContact OE1-CE1 2.87Å; E154-H162 PolarHBondContact OE1-CE1 3.04Å; E154-H162 IonicContact OE1-ND1 2.65Å; E154-H162 PolarHBondContact OE1-ND1 3.36Å; E154-H162 IonicContact OE2-ND1 2.76Å
155	N	78.8	Confident	89.8	Confident	161 Å²	161	65.1 Å²	65.1	86%	0.861	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	40	177.3	-58.7	-41.2	0	0	0	114	M157	N155-M157 PolarHBondContact O-N 3.05Å
156	L	74.1	Confident	89.2	Confident	134 Å²	134	61.3 Å²	61.3	70%	0.702	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	7.2	-178.2	-50.3	171	0	0	0	115.5	K89 E154	K89-L156 PolarHBondContact NZ-O 3.36Å; K89-L156 VanDerWaalsContact NZ-O 3.14Å; E154-L156 PolarHBondContact O-N 3.38Å; E154-L156 VanDerWaalsContact O-N 3.15Å
157	M	76.5	Confident	88.1	Confident	59 Å²	59	66.6 Å²	66.6	29%	0.291	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	151.4	174.4	-60.3	-66.8	-72	0	0	110.1	N153 E154 N155 F165 F166 Q167	N153-M157 CarbonylContact C-O 3.56Å; N153-M157 WeakPolarHBondContact CA-O 3.27Å; E154-M157 PolarHBondContact N-O 3.24Å; E154-M157 WeakPolarHBondContact O-CB 3.34Å; E154-M157 PolarHBondContact O-N 2.92Å; E154-M157 VanDerWaalsContact O-O 3.13Å; N155-M157 PolarHBondContact O-N 3.05Å; M157-F165 HydrophobicContact CB-CB 4.3Å; M157-F165 HydrophobicContact CB-CD1 4.05Å; M157-F165 HydrophobicContact CE-CB 3.91Å; M157-F166 WeakPolarHBondContact CA-O 3.39Å; M157-Q167 HydrophobicContact CE-CG 3.87Å; M157-Q167 HydrophobicContact SD-CB 4.45Å; M157-Q167 HydrophobicContact SD-CG 3.84Å
158	L	83.5	Confident	87.1	Confident	8 Å²	8	63.7 Å²	63.7	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137.6	-176.7	-60.4	168.1	0	0	0	110.1	Y136 I151 F152 N153 F165 F166 L169 L172	Y136-L158 HydrophobicContact CD2-CD2 4.04Å; Y136-L158 HydrophobicContact CE2-CD2 4Å; I151-L158 HydrophobicContact CG2-CB 3.96Å; I151-L158 HydrophobicContact CG2-CD2 4.09Å; F152-L158 VanDerWaalsContact O-CA 3.28Å; F152-L158 WeakPolarHBondContact O-CA 3.41Å; N153-L158 HydrophobicContact CB-CD2 3.99Å; L158-F165 CarbonylContact O-C 3.55Å; L158-F165 WeakPolarHBondContact O-CA 3.33Å; L158-F166 HydrophobicContact CB-CB 4.48Å; L158-F166 PolarHBondContact N-O 3.11Å; L158-F166 WeakPolarHBondContact O-CD2 3.43Å; L158-F166 PolarHBondContact O-N 3.37Å; L158-L169 HydrophobicContact CD1-CB 4.4Å; L158-L169 HydrophobicContact CD1-CD2 3.81Å; L158-L169 HydrophobicContact CD1-CG 3.74Å; L158-L172 HydrophobicContact CB-CD1 4.09Å
159	T	92.2	Very high	86.4	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	150.6	177.7	-178.1	0	0	0	0	111.2	I151 F152 D161 H162 G164 F165	I151-T159 CarbonylContact C-O 3.56Å; I151-T159 WeakPolarHBondContact CA-O 3.38Å; F152-T159 HydrophobicContact CB-CG2 3.9Å; F152-T159 HydrophobicContact CD2-CG2 4.41Å; F152-T159 PolarHBondContact N-O 3.48Å; F152-T159 PolarHBondContact O-N 3.25Å; T159-D161 PolarHBondContact OG1-N 3.13Å; T159-D161 PolarHBondContact OG1-OD1 3.36Å; T159-H162 WeakPolarHBondContact OG1-CA 3.09Å; T159-H162 PolarHBondContact OG1-N 3.35Å; T159-G164 WeakPolarHBondContact CA-O 3.12Å; T159-G164 WeakPolarHBondContact CB-O 3.24Å; T159-G164 PolarHBondContact OG1-O 3.36Å; T159-F165 HydrophobicContact CG2-CD1 4.23Å; T159-F165 HydrophobicContact CG2-CE1 3.89Å; T159-F165 HydrophobicContact CG2-CZ 4.49Å
160	C	92.7	Very high	85.5	Confident	23 Å²	23	61.2 Å²	61.2	16%	0.155	30%	0.304	C	S	.	.	S	Bend	trans	-106.5	-20	171.1	-62.7	0	0	0	0	113	Y176	C160-Y176 HydrophobicContact CB-CE2 4.26Å; C160-Y176 WeakPolarHBondContact CB-OH 3.24Å
161	D	91.3	Very high	84.8	Confident	50 Å²	50	61.1 Å²	61.1	27%	0.267	31%	0.309	S	S	.	.	S	Bend	trans	-128.3	-6.3	-167.2	51.9	24.8	0	0	0	113.7	T159 E163 G164 Y176	T159-D161 PolarHBondContact OG1-N 3.13Å; T159-D161 PolarHBondContact OG1-OD1 3.36Å; D161-E163 PolarHBondContact O-N 2.91Å; D161-E163 PolarHBondContact OD1-N 2.75Å; D161-G164 PolarHBondContact OD1-N 3.35Å; D161-Y176 PolarHBondContact OD2-OH 3.08Å
162	H	90.5	Very high	84.6	Confident	91 Å²	91	61.1 Å²	61.1	42%	0.421	31%	0.309	S	S	.	.	S	Bend	trans	62.7	14.4	-171.5	-50.6	-80.3	0	0	0	115	F152 E154 T159	F152-H162 AromaticContact CD1-CE1 3.76Å; F152-H162 AromaticContact CD2-CE1 3.56Å; F152-H162 AromaticContact CD2-NE2 3.73Å; F152-H162 AromaticContact CE1-CE1 3.83Å; F152-H162 AromaticContact CE1-NE2 3.88Å; F152-H162 AromaticContact CE2-CE1 3.66Å; F152-H162 AromaticContact CE2-NE2 3.34Å; F152-H162 VanDerWaalsContact CE2-NE2 3.34Å; F152-H162 WeakPolarHBondContact CE2-NE2 3.13Å; F152-H162 AromaticContact CG-CE1 3.62Å; F152-H162 AromaticContact CZ-CE1 3.78Å; F152-H162 AromaticContact CZ-NE2 3.41Å; F152-H162 WeakPolarHBondContact CZ-NE2 3.31Å; E154-H162 IonicContact OE1-CE1 2.87Å; E154-H162 PolarHBondContact OE1-CE1 3.04Å; E154-H162 IonicContact OE1-ND1 2.65Å; E154-H162 PolarHBondContact OE1-ND1 3.36Å; E154-H162 IonicContact OE2-ND1 2.76Å; T159-H162 WeakPolarHBondContact OG1-CA 3.09Å; T159-H162 PolarHBondContact OG1-N 3.35Å
163	E	89.1	Confident	84.4	Confident	170 Å²	170	59.2 Å²	59.2	79%	0.794	30%	0.301	S	S	*	.	S	Bend	trans	-111.1	-47	174.6	-61.5	-172	172.8	0	0	110.4	D161	D161-E163 PolarHBondContact O-N 2.91Å; D161-E163 PolarHBondContact OD1-N 2.75Å
164	G	88.8	Confident	84.5	Confident	20 Å²	20	57.1 Å²	57.1	21%	0.206	29%	0.293	C	S	.	.			trans	-95.8	127.6	176.8	0	0	0	0	0	112.7	T159 D161	T159-G164 WeakPolarHBondContact CA-O 3.12Å; T159-G164 WeakPolarHBondContact CB-O 3.24Å; T159-G164 PolarHBondContact OG1-O 3.36Å; D161-G164 PolarHBondContact OD1-N 3.35Å
165	F	90.9	Very high	84.9	Confident	97 Å²	97	56.7 Å²	56.7	43%	0.425	29%	0.291	S	S	.	.			trans	-119.4	131	179.2	-67.4	-92.7	0	0	0	111.9	M157 L158 T159	M157-F165 HydrophobicContact CB-CB 4.3Å; M157-F165 HydrophobicContact CB-CD1 4.05Å; M157-F165 HydrophobicContact CE-CB 3.91Å; L158-F165 CarbonylContact O-C 3.55Å; L158-F165 WeakPolarHBondContact O-CA 3.33Å; T159-F165 HydrophobicContact CG2-CD1 4.23Å; T159-F165 HydrophobicContact CG2-CE1 3.89Å; T159-F165 HydrophobicContact CG2-CZ 4.49Å
166	F	84.4	Confident	85.7	Confident	24 Å²	24	49.1 Å²	49.1	11%	0.105	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-121.1	140.8	-175.2	-53.6	-81.1	0	0	0	111.7	M157 L158 S168 L171 L172 H175 Y176	M157-F166 WeakPolarHBondContact CA-O 3.39Å; L158-F166 HydrophobicContact CB-CB 4.48Å; L158-F166 PolarHBondContact N-O 3.11Å; L158-F166 WeakPolarHBondContact O-CD2 3.43Å; L158-F166 PolarHBondContact O-N 3.37Å; F166-S168 VanDerWaalsContact C-N 3.3Å; F166-S168 PolarHBondContact O-N 3.5Å; F166-L171 HydrophobicContact CB-CB 4.41Å; F166-L171 HydrophobicContact CD1-CB 4.35Å; F166-L172 HydrophobicContact CB-CB 3.97Å; F166-L172 HydrophobicContact CD1-CB 4.41Å; F166-L172 HydrophobicContact CD2-CB 3.78Å; F166-L172 HydrophobicContact CD2-CD1 3.82Å; F166-L172 HydrophobicContact CD2-CG 3.8Å; F166-L172 HydrophobicContact CE2-CB 4.41Å; F166-L172 HydrophobicContact CE2-CD1 4.38Å; F166-L172 HydrophobicContact CE2-CG 4.13Å; F166-L172 HydrophobicContact CG-CB 3.78Å; F166-L172 HydrophobicContact CG-CG 4.33Å; F166-H175 HydrophobicContact CD1-CB 4.44Å; F166-H175 HydrophobicContact CE1-CB 3.48Å; F166-H175 VanDerWaalsContact CE1-CB 3.48Å; F166-H175 AromaticContact CE1-CG 3.64Å; F166-H175 HydrophobicContact CZ-CB 3.75Å; F166-H175 AromaticContact CZ-CD2 3.59Å; F166-H175 AromaticContact CZ-CG 3.55Å; F166-Y176 HydrophobicContact CE2-CE2 4.32Å
167	Q	74.1	Confident	86.6	Confident	130 Å²	130	44.8 Å²	44.8	61%	0.607	23%	0.229	S	C	*	.	S	Bend	trans	-76.1	-19.2	178.9	-62.3	178.4	14	0	0	112.9	K89 M157 L171	K89-Q167 WeakPolarHBondContact CE-O 3.4Å; K89-Q167 PolarHBondContact NZ-O 2.79Å; M157-Q167 HydrophobicContact CE-CG 3.87Å; M157-Q167 HydrophobicContact SD-CB 4.45Å; M157-Q167 HydrophobicContact SD-CG 3.84Å; Q167-L171 HydrophobicContact CB-CD1 4.17Å
168	S	75.8	Confident	87.4	Confident	24 Å²	24	50.1 Å²	50.1	17%	0.168	25%	0.251	C	S	.	.	S	Bend	trans	-153	158.4	-176.8	72.4	0	0	0	0	111.1	F166 Q170 L171 L172	F166-S168 VanDerWaalsContact C-N 3.3Å; F166-S168 PolarHBondContact O-N 3.5Å; S168-Q170 VanDerWaalsContact CB-OE1 3.32Å; S168-Q170 PolarHBondContact O-N 2.76Å; S168-Q170 PolarHBondContact OG-OE1 3.42Å; S168-L171 PolarHBondContact O-N 3.05Å; S168-L171 PolarHBondContact OG-N 2.81Å; S168-L172 PolarHBondContact O-N 3.17Å; S168-L172 VanDerWaalsContact O-N 3.14Å
169	L	82.5	Confident	87.8	Confident	17 Å²	17	53.8 Å²	53.8	9%	0.089	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-30.2	176.5	-73.2	171.1	0	0	0	111.4	W102 F103 I126 Y136 I151 L158 L172 V173	W102-L169 HydrophobicContact CH2-CB 3.49Å; W102-L169 VanDerWaalsContact CH2-CB 3.49Å; W102-L169 HydrophobicContact CZ3-CB 3.79Å; W102-L169 HydrophobicContact CZ3-CD1 4.22Å; F103-L169 HydrophobicContact CD2-CD1 4.06Å; F103-L169 HydrophobicContact CE2-CD1 4.03Å; I126-L169 HydrophobicContact CD1-CD2 4.1Å; I126-L169 HydrophobicContact CG2-CD1 4.33Å; I126-L169 HydrophobicContact CG2-CD2 4.2Å; Y136-L169 HydrophobicContact CD1-CD1 4.13Å; Y136-L169 HydrophobicContact CD2-CD1 4.29Å; Y136-L169 HydrophobicContact CD2-CD2 4.06Å; Y136-L169 HydrophobicContact CE1-CD1 4.08Å; Y136-L169 HydrophobicContact CE2-CD1 4.27Å; Y136-L169 HydrophobicContact CG-CD1 4.22Å; Y136-L169 HydrophobicContact CG-CD2 4.23Å; I151-L169 HydrophobicContact CD1-CD2 3.85Å; I151-L169 HydrophobicContact CG2-CD2 4.38Å; L158-L169 HydrophobicContact CD1-CB 4.4Å; L158-L169 HydrophobicContact CD1-CD2 3.81Å; L158-L169 HydrophobicContact CD1-CG 3.74Å; L169-L172 WeakPolarHBondContact O-CB 3.49Å; L169-L172 PolarHBondContact O-N 2.87Å; L169-V173 WeakPolarHBondContact O-CB 3.09Å; L169-V173 VanDerWaalsContact O-CG2 3.28Å; L169-V173 WeakPolarHBondContact O-CG2 3.25Å; L169-V173 PolarHBondContact O-N 2.65Å
170	Q	77.8	Confident	87.9	Confident	24 Å²	24	54.7 Å²	54.7	11%	0.112	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-44	178	-57.9	89.2	-56.6	0	0	111.5	F100 W102 S168 V173 A174	F100-Q170 HydrophobicContact CD1-CG 4.48Å; F100-Q170 VanDerWaalsContact CE1-CD 3.41Å; F100-Q170 HydrophobicContact CE1-CG 3.62Å; F100-Q170 VanDerWaalsContact CE1-NE2 3.28Å; F100-Q170 HydrophobicContact CZ-CG 3.84Å; W102-Q170 HydrophobicContact CH2-CG 4.48Å; W102-Q170 HydrophobicContact CZ2-CG 4.11Å; S168-Q170 VanDerWaalsContact CB-OE1 3.32Å; S168-Q170 PolarHBondContact O-N 2.76Å; S168-Q170 PolarHBondContact OG-OE1 3.42Å; Q170-V173 PolarHBondContact O-N 2.73Å; Q170-A174 WeakPolarHBondContact O-CB 3.06Å; Q170-A174 PolarHBondContact O-N 2.84Å
171	L	81.4	Confident	88	Confident	78 Å²	78	57.3 Å²	57.3	41%	0.408	29%	0.29	S	S	.	.	H	α-helix	trans	-68	-38.8	176.1	-69	174.5	0	0	0	111.3	P95 F166 Q167 S168 A174 H175	P95-L171 HydrophobicContact CG-CD2 4.1Å; F166-L171 HydrophobicContact CB-CB 4.41Å; F166-L171 HydrophobicContact CD1-CB 4.35Å; Q167-L171 HydrophobicContact CB-CD1 4.17Å; S168-L171 PolarHBondContact O-N 3.05Å; S168-L171 PolarHBondContact OG-N 2.81Å; L171-A174 PolarHBondContact O-N 3.44Å; L171-H175 PolarHBondContact O-N 3.11Å
172	L	89.9	Confident	88.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-48	173.9	-176.4	152.7	0	0	0	111.2	I126 I151 L158 F166 S168 L169 H175 Y176	I126-L172 HydrophobicContact CD1-CD2 4.35Å; I151-L172 HydrophobicContact CD1-CD1 4.34Å; I151-L172 HydrophobicContact CD1-CD2 4.18Å; I151-L172 HydrophobicContact CG1-CD1 4.23Å; I151-L172 HydrophobicContact CG2-CD1 3.67Å; L158-L172 HydrophobicContact CB-CD1 4.09Å; F166-L172 HydrophobicContact CB-CB 3.97Å; F166-L172 HydrophobicContact CD1-CB 4.41Å; F166-L172 HydrophobicContact CD2-CB 3.78Å; F166-L172 HydrophobicContact CD2-CD1 3.82Å; F166-L172 HydrophobicContact CD2-CG 3.8Å; F166-L172 HydrophobicContact CE2-CB 4.41Å; F166-L172 HydrophobicContact CE2-CD1 4.38Å; F166-L172 HydrophobicContact CE2-CG 4.13Å; F166-L172 HydrophobicContact CG-CB 3.78Å; F166-L172 HydrophobicContact CG-CG 4.33Å; S168-L172 PolarHBondContact O-N 3.17Å; S168-L172 VanDerWaalsContact O-N 3.14Å; L169-L172 WeakPolarHBondContact O-CB 3.49Å; L169-L172 PolarHBondContact O-N 2.87Å; L172-H175 WeakPolarHBondContact O-CB 3.44Å; L172-H175 PolarHBondContact O-N 3.44Å; L172-Y176 HydrophobicContact CD2-CD2 3.66Å; L172-Y176 HydrophobicContact CD2-CE2 3.84Å; L172-Y176 HydrophobicContact CG-CD2 3.97Å; L172-Y176 HydrophobicContact CG-CE2 3.81Å; L172-Y176 WeakPolarHBondContact O-CD2 3.35Å; L172-Y176 PolarHBondContact O-N 3.22Å; L172-Y176 VanDerWaalsContact O-N 3.11Å
173	V	88.9	Confident	88.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.8	-49	177	169.2	0	0	0	0	110.3	A96 F98 W102 F124 I126 L169 Q170 H175 Y176 V177 L187	A96-V173 HydrophobicContact CB-CG1 3.99Å; F98-V173 HydrophobicContact CD2-CG1 4.4Å; W102-V173 HydrophobicContact CD2-CG2 3.92Å; W102-V173 HydrophobicContact CE3-CG2 4.04Å; W102-V173 HydrophobicContact CH2-CG2 4.2Å; W102-V173 HydrophobicContact CZ2-CG2 4.07Å; W102-V173 HydrophobicContact CZ3-CG2 4.18Å; F124-V173 HydrophobicContact CE2-CG1 3.81Å; F124-V173 HydrophobicContact CE2-CG2 4.14Å; F124-V173 HydrophobicContact CZ-CG1 3.74Å; I126-V173 HydrophobicContact CD1-CG2 3.54Å; L169-V173 WeakPolarHBondContact O-CB 3.09Å; L169-V173 VanDerWaalsContact O-CG2 3.28Å; L169-V173 WeakPolarHBondContact O-CG2 3.25Å; L169-V173 PolarHBondContact O-N 2.65Å; Q170-V173 PolarHBondContact O-N 2.73Å; V173-H175 PolarHBondContact O-N 2.75Å; V173-Y176 PolarHBondContact O-N 3.11Å; V173-Y176 VanDerWaalsContact O-N 3.09Å; V173-V177 HydrophobicContact CG1-CG2 4.02Å; V173-V177 WeakPolarHBondContact O-CG2 3.33Å; V173-V177 PolarHBondContact O-N 3.48Å; V173-L187 HydrophobicContact CB-CD1 4.45Å; V173-L187 HydrophobicContact CG1-CD1 4.15Å; V173-L187 HydrophobicContact CG2-CD1 4.43Å
174	A	86.7	Confident	88.7	Confident	21 Å²	21	48.9 Å²	48.9	17%	0.174	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-35.2	179.9	0	0	0	0	0	113.3	P95 A96 Q170 L171 K178	P95-A174 HydrophobicContact CB-CB 3.74Å; P95-A174 HydrophobicContact CG-CB 3.66Å; A96-A174 HydrophobicContact CB-CB 4.27Å; Q170-A174 WeakPolarHBondContact O-CB 3.06Å; Q170-A174 PolarHBondContact O-N 2.84Å; L171-A174 PolarHBondContact O-N 3.44Å; A174-K178 PolarHBondContact O-N 3.46Å
175	H	92.5	Very high	89.1	Confident	60 Å²	60	50.7 Å²	50.7	28%	0.278	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-53.2	171.8	179.5	84.3	0	0	0	111.5	F166 L171 L172 V173 V177 K178 D179 D181	F166-H175 HydrophobicContact CD1-CB 4.44Å; F166-H175 HydrophobicContact CE1-CB 3.48Å; F166-H175 VanDerWaalsContact CE1-CB 3.48Å; F166-H175 AromaticContact CE1-CG 3.64Å; F166-H175 HydrophobicContact CZ-CB 3.75Å; F166-H175 AromaticContact CZ-CD2 3.59Å; F166-H175 AromaticContact CZ-CG 3.55Å; L171-H175 PolarHBondContact O-N 3.11Å; L172-H175 WeakPolarHBondContact O-CB 3.44Å; L172-H175 PolarHBondContact O-N 3.44Å; V173-H175 PolarHBondContact O-N 2.75Å; H175-V177 VanDerWaalsContact C-N 3.25Å; H175-V177 PolarHBondContact O-N 3.23Å; H175-K178 WeakPolarHBondContact O-CB 3.04Å; H175-K178 PolarHBondContact O-N 3.13Å; H175-D179 PolarHBondContact O-N 2.82Å; H175-D181 IonicContact CD2-OD2 3.42Å; H175-D181 IonicContact CE1-OD2 3.51Å; H175-D181 PolarHBondContact CE1-OD2 3.18Å; H175-D181 IonicContact NE2-OD2 3.88Å; H175-D181 PolarHBondContact NE2-OD2 3.48Å
176	Y	95.2	Very high	89.3	Confident	2 Å²	2	50 Å²	50	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-73.7	-14.4	-176.6	-68.5	-60.8	0	0	0	114.7	L138 C160 D161 F166 L172 V173 D179 D181 L183 L187	L138-Y176 HydrophobicContact CD2-CD2 4.5Å; C160-Y176 HydrophobicContact CB-CE2 4.26Å; C160-Y176 WeakPolarHBondContact CB-OH 3.24Å; D161-Y176 PolarHBondContact OD2-OH 3.08Å; F166-Y176 HydrophobicContact CE2-CE2 4.32Å; L172-Y176 HydrophobicContact CD2-CD2 3.66Å; L172-Y176 HydrophobicContact CD2-CE2 3.84Å; L172-Y176 HydrophobicContact CG-CD2 3.97Å; L172-Y176 HydrophobicContact CG-CE2 3.81Å; L172-Y176 WeakPolarHBondContact O-CD2 3.35Å; L172-Y176 PolarHBondContact O-N 3.22Å; L172-Y176 VanDerWaalsContact O-N 3.11Å; V173-Y176 PolarHBondContact O-N 3.11Å; V173-Y176 VanDerWaalsContact O-N 3.09Å; Y176-D179 CarbonylContact C-O 3.38Å; Y176-D179 WeakPolarHBondContact CA-O 3.09Å; Y176-D181 HydrophobicContact CD1-CB 4.29Å; Y176-D181 HydrophobicContact CE1-CB 3.96Å; Y176-L183 HydrophobicContact CD1-CD1 3.22Å; Y176-L183 HydrophobicContact CD1-CG 3.77Å; Y176-L183 HydrophobicContact CD2-CD1 4.08Å; Y176-L183 HydrophobicContact CE1-CD1 3.75Å; Y176-L183 HydrophobicContact CE1-CD2 4.47Å; Y176-L183 HydrophobicContact CE1-CG 3.84Å; Y176-L183 HydrophobicContact CG-CD1 3.42Å; Y176-L183 VanDerWaalsContact CG-CD1 3.42Å; Y176-L183 HydrophobicContact CG-CG 4.41Å; Y176-L187 PolarHBondContact O-N 3.3Å
177	V	93	Very high	89.9	Confident	43 Å²	43	49 Å²	49	26%	0.261	27%	0.271	S	S	.	.	H	α-helix	trans	-71	-42.1	166.2	170.2	0	0	0	0	110.9	A96 F98 V173 H175 L187	A96-V177 HydrophobicContact CB-CG2 4.19Å; F98-V177 HydrophobicContact CD2-CG2 4.32Å; F98-V177 HydrophobicContact CE2-CG1 4.43Å; F98-V177 HydrophobicContact CE2-CG2 3.53Å; F98-V177 HydrophobicContact CZ-CG2 4.42Å; V173-V177 HydrophobicContact CG1-CG2 4.02Å; V173-V177 WeakPolarHBondContact O-CG2 3.33Å; V173-V177 PolarHBondContact O-N 3.48Å; H175-V177 VanDerWaalsContact C-N 3.25Å; H175-V177 PolarHBondContact O-N 3.23Å; V177-L187 WeakPolarHBondContact CA-O 3.3Å; V177-L187 HydrophobicContact CB-CB 4.49Å; V177-L187 HydrophobicContact CG2-CB 3.67Å
178	K	93.2	Very high	90.8	Very high	171 Å²	171	46.4 Å²	46.4	74%	0.743	26%	0.263	S	S	*	.	H	α-helix	trans	-72.7	-44.3	-179.2	-172.8	-175.6	177.5	-173.4	0	111.6	A174 H175 K186	A174-K178 PolarHBondContact O-N 3.46Å; H175-K178 WeakPolarHBondContact O-CB 3.04Å; H175-K178 PolarHBondContact O-N 3.13Å; K178-K186 PolarHBondContact O-NZ 2.94Å
179	D	93.5	Very high	91.5	Very high	85 Å²	85	49 Å²	49	46%	0.455	27%	0.269	S	S	.	.			trans	-141.2	148.3	-179.9	-149.8	-17.9	0	0	0	113	H175 Y176 D181 K186	H175-D179 PolarHBondContact O-N 2.82Å; Y176-D179 CarbonylContact C-O 3.38Å; Y176-D179 WeakPolarHBondContact CA-O 3.09Å; D179-D181 VanDerWaalsContact C-N 3.31Å; D179-K186 WeakPolarHBondContact OD1-CE 3.41Å; D179-K186 IonicContact OD1-NZ 3.99Å
180	A	94.4	Very high	91.9	Very high	19 Å²	19	49.1 Å²	49.1	16%	0.157	27%	0.271	C	S	.	.			trans	-73.5	-32.7	-178.8	0	0	0	0	0	110.3	G182 L183 K186	A180-G182 VanDerWaalsContact C-N 3.3Å; A180-G182 PolarHBondContact O-N 3.42Å; A180-G182 VanDerWaalsContact O-N 3.17Å; A180-L183 WeakPolarHBondContact O-CB 3.21Å; A180-L183 WeakPolarHBondContact O-CG 3.29Å; A180-L183 PolarHBondContact O-N 2.89Å; A180-K186 HydrophobicContact CB-CG 3.78Å
181	D	93.9	Very high	92.3	Very high	77 Å²	77	48.4 Å²	48.4	41%	0.412	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.2	52.6	172.8	-157.9	28.6	0	0	0	113.3	H175 Y176 D179	H175-D181 IonicContact CD2-OD2 3.42Å; H175-D181 IonicContact CE1-OD2 3.51Å; H175-D181 PolarHBondContact CE1-OD2 3.18Å; H175-D181 IonicContact NE2-OD2 3.88Å; H175-D181 PolarHBondContact NE2-OD2 3.48Å; Y176-D181 HydrophobicContact CD1-CB 4.29Å; Y176-D181 HydrophobicContact CE1-CB 3.96Å; D179-D181 VanDerWaalsContact C-N 3.31Å
182	G	93.3	Very high	91.9	Very high	80 Å²	80	47.6 Å²	47.6	83%	0.825	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-11.5	-179.3	0	0	0	0	0	115.9	A180	A180-G182 VanDerWaalsContact C-N 3.3Å; A180-G182 PolarHBondContact O-N 3.42Å; A180-G182 VanDerWaalsContact O-N 3.17Å
183	L	95.8	Very high	90.7	Very high	17 Å²	17	48 Å²	48	9%	0.089	27%	0.27	C	S	.	.	S	Bend	trans	-70.1	158.4	170.2	-57.6	178.7	0	0	0	111.6	L138 I140 Y149 Y176 A180 H185	L138-L183 HydrophobicContact CD2-CD1 3.86Å; L138-L183 HydrophobicContact CD2-CD2 4.42Å; I140-L183 HydrophobicContact CD1-CB 4.27Å; I140-L183 HydrophobicContact CD1-CD1 3.85Å; I140-L183 HydrophobicContact CD1-CG 4.46Å; Y149-L183 HydrophobicContact CD1-CD2 3.58Å; Y149-L183 HydrophobicContact CD2-CD2 3.82Å; Y149-L183 HydrophobicContact CE1-CD2 3.69Å; Y149-L183 HydrophobicContact CE2-CD2 3.92Å; Y149-L183 HydrophobicContact CG-CD2 3.65Å; Y176-L183 HydrophobicContact CD1-CD1 3.22Å; Y176-L183 HydrophobicContact CD1-CG 3.77Å; Y176-L183 HydrophobicContact CD2-CD1 4.08Å; Y176-L183 HydrophobicContact CE1-CD1 3.75Å; Y176-L183 HydrophobicContact CE1-CD2 4.47Å; Y176-L183 HydrophobicContact CE1-CG 3.84Å; Y176-L183 HydrophobicContact CG-CD1 3.42Å; Y176-L183 VanDerWaalsContact CG-CD1 3.42Å; Y176-L183 HydrophobicContact CG-CG 4.41Å; A180-L183 WeakPolarHBondContact O-CB 3.21Å; A180-L183 WeakPolarHBondContact O-CG 3.29Å; A180-L183 PolarHBondContact O-N 2.89Å; L183-H185 PolarHBondContact O-N 3.4Å
184	C	96	Very high	89	Confident	37 Å²	37	50.1 Å²	50.1	25%	0.25	28%	0.284	C	S	.	.	S	Bend	trans	-60.9	-27.3	176.9	57	0	0	0	0	113.1	F142 E147 Y149	F142-C184 HydrophobicContact CD1-CB 3.83Å; F142-C184 HydrophobicContact CE1-CB 4.26Å; F142-C184 HydrophobicContact CG-CB 4.23Å; E147-C184 HydrophobicContact CG-CB 4.17Å; Y149-C184 VanDerWaalsContact OH-CB 3.24Å; Y149-C184 WeakPolarHBondContact OH-CB 3.39Å; Y149-C184 PolarHBondContact OH-N 3.03Å; Y149-C184 PolarHBondContact OH-SG 2.96Å
185	H	96.9	Very high	87.2	Confident	59 Å²	59	53.6 Å²	53.6	27%	0.273	30%	0.3	S	S	.	.	S	Bend	trans	-159.1	156.5	178	-160.7	-84.9	0	0	0	110.4	F142 L183	F142-H185 HydrophobicContact CD2-CB 3.89Å; F142-H185 AromaticContact CD2-CD2 3.93Å; F142-H185 HydrophobicContact CE2-CB 4.3Å; F142-H185 AromaticContact CE2-CD2 3.79Å; F142-H185 HydrophobicContact CG-CB 4.48Å; L183-H185 PolarHBondContact O-N 3.4Å
186	K	96.7	Very high	84.7	Confident	83 Å²	83	53.1 Å²	53.1	36%	0.361	30%	0.297	S	S	.	.			trans	-63	152.9	168.5	-59.1	-164.6	178.6	-163.3	0	110.8	G122 K178 D179 A180 V188	G122-K186 WeakPolarHBondContact CA-O 3.45Å; K178-K186 PolarHBondContact O-NZ 2.94Å; D179-K186 WeakPolarHBondContact OD1-CE 3.41Å; D179-K186 IonicContact OD1-NZ 3.99Å; A180-K186 HydrophobicContact CB-CG 3.78Å; K186-V188 PolarHBondContact O-N 3.08Å
187	L	96	Very high	81.8	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.016	32%	0.322	C	S	.	.			trans	-75.6	117.9	170.7	-55.1	-173.5	0	0	0	109.3	F124 L138 I140 V173 Y176 V177	F124-L187 HydrophobicContact CB-CD2 3.75Å; F124-L187 HydrophobicContact CD1-CB 3.7Å; F124-L187 HydrophobicContact CD1-CD1 4.49Å; F124-L187 HydrophobicContact CD1-CD2 4.04Å; F124-L187 HydrophobicContact CD1-CG 4.26Å; F124-L187 HydrophobicContact CD2-CD1 3.95Å; F124-L187 HydrophobicContact CD2-CD2 4.14Å; F124-L187 HydrophobicContact CD2-CG 4.45Å; F124-L187 HydrophobicContact CE1-CB 3.69Å; F124-L187 HydrophobicContact CE1-CD1 4.48Å; F124-L187 HydrophobicContact CE2-CD1 3.91Å; F124-L187 HydrophobicContact CG-CB 4.2Å; F124-L187 HydrophobicContact CG-CD1 4.25Å; F124-L187 HydrophobicContact CG-CD2 3.72Å; F124-L187 HydrophobicContact CG-CG 4.25Å; F124-L187 HydrophobicContact CZ-CB 4.15Å; F124-L187 HydrophobicContact CZ-CD1 4.19Å; L138-L187 HydrophobicContact CD1-CD1 4.28Å; L138-L187 HydrophobicContact CD1-CD2 4.05Å; L138-L187 HydrophobicContact CD2-CD2 4.32Å; I140-L187 HydrophobicContact CD1-CD2 3.6Å; I140-L187 HydrophobicContact CG1-CD2 3.85Å; V173-L187 HydrophobicContact CB-CD1 4.45Å; V173-L187 HydrophobicContact CG1-CD1 4.15Å; V173-L187 HydrophobicContact CG2-CD1 4.43Å; Y176-L187 PolarHBondContact O-N 3.3Å; V177-L187 WeakPolarHBondContact CA-O 3.3Å; V177-L187 HydrophobicContact CB-CB 4.49Å; V177-L187 HydrophobicContact CG2-CB 3.67Å
188	V	93.4	Very high	79	Confident	75 Å²	75	63.7 Å²	63.7	46%	0.455	34%	0.341	S	S	.	.			trans	-107.8	-44.8	-174.8	176.7	0	0	0	0	111.2	F98 G122 K186	F98-V188 WeakPolarHBondContact CZ-O 3.43Å; G122-V188 PolarHBondContact O-N 3.31Å; K186-V188 PolarHBondContact O-N 3.08Å
189	R	90.5	Very high	76.2	Confident	77 Å²	77	62.7 Å²	62.7	29%	0.291	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	138.8	-178.2	63.9	-173.9	-179	96.7	7.5	112.4	P120 G122 T123 F124	P120-R189 VanDerWaalsContact CB-NH2 3.34Å; G122-R189 PolarHBondContact O-N 2.93Å; T123-R189 CarbonylContact C-O 3.49Å; T123-R189 VanDerWaalsContact CA-O 3.28Å; T123-R189 WeakPolarHBondContact CA-O 3.26Å; T123-R189 HydrophobicContact CG2-CG 4.23Å; T123-R189 PolarHBondContact OG1-NE 3.3Å; T123-R189 PolarHBondContact OG1-NH2 3.17Å; F124-R189 VanDerWaalsContact CD1-C 3.48Å; F124-R189 WeakPolarHBondContact CD1-O 3.32Å; F124-R189 WeakPolarHBondContact CE1-O 3.48Å; F124-R189 PolarHBondContact N-O 2.84Å
190	P	90	Very high	73.4	Confident	20 Å²	20	64.5 Å²	64.5	13%	0.13	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	144.1	172.9	31.4	-37.7	0	0	0	109.5	F98 T101 W102 F124 P192	F98-P190 HydrophobicContact CB-CG 3.99Å; F98-P190 HydrophobicContact CD1-CG 3.88Å; F98-P190 HydrophobicContact CG-CG 3.97Å; T101-P190 WeakPolarHBondContact OG1-CB 3.02Å; T101-P190 VanDerWaalsContact OG1-CG 3.24Å; T101-P190 WeakPolarHBondContact OG1-CG 3.4Å; W102-P190 HydrophobicContact CB-CB 3.78Å; F124-P190 HydrophobicContact CZ-CB 4.42Å; F124-P190 CarbonylContact O-C 3.6Å; F124-P190 WeakPolarHBondContact O-CA 3.1Å; P190-P192 WeakPolarHBondContact O-CD 3.35Å
191	L	87.4	Confident	70.5	Confident	9 Å²	9	68.3 Å²	68.3	5%	0.047	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-73.5	121.7	167.4	-173.3	68.2	0	0	0	108.8	H104 R115 L116 Q119 T123 F124 L125 L193	H104-L191 PolarHBondContact CE1-O 2.74Å; H104-L191 PolarHBondContact NE2-O 2.68Å; R115-L191 HydrophobicContact CB-CD2 3.59Å; L116-L191 HydrophobicContact CD2-CB 4.08Å; L116-L191 HydrophobicContact CD2-CD1 4.28Å; L116-L191 HydrophobicContact CD2-CD2 3.76Å; L116-L191 HydrophobicContact CD2-CG 4.29Å; L116-L191 HydrophobicContact CG-CD2 3.93Å; Q119-L191 HydrophobicContact CG-CD1 4.09Å; T123-L191 HydrophobicContact CG2-CB 4.08Å; T123-L191 HydrophobicContact CG2-CD1 3.93Å; F124-L191 PolarHBondContact O-N 2.77Å; L125-L191 HydrophobicContact CB-CB 4.43Å; L125-L191 HydrophobicContact CD2-CB 4.46Å; L125-L191 HydrophobicContact CD2-CD2 3.65Å; L191-L193 PolarHBondContact O-N 3.31Å
192	P	73.4	Confident	67.6	Low	61 Å²	61	68.8 Å²	68.8	40%	0.396	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-58.3	138.3	177	-23.7	34.5	0	0	0	111.1	P190 S194	P190-P192 WeakPolarHBondContact O-CD 3.35Å; P192-S194 PolarHBondContact O-N 3.31Å
193	L	64	Low	64.8	Low	10 Å²	10	66.5 Å²	66.5	5%	0.052	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-67.3	124.3	171.1	-74.6	146.3	0	0	0	108.5	H104 L191 D195 F196 Q197 Y274	H104-L193 HydrophobicContact CB-CD2 4.07Å; H104-L193 VanDerWaalsContact CG-CD2 3.46Å; L191-L193 PolarHBondContact O-N 3.31Å; L193-D195 PolarHBondContact O-N 3.47Å; L193-D195 VanDerWaalsContact O-N 3.13Å; L193-F196 HydrophobicContact CB-CB 3.92Å; L193-F196 HydrophobicContact CB-CD2 3.26Å; L193-F196 HydrophobicContact CB-CE2 3.98Å; L193-F196 HydrophobicContact CB-CG 3.68Å; L193-F196 HydrophobicContact CD1-CD1 4.45Å; L193-F196 HydrophobicContact CD1-CD2 3.76Å; L193-F196 HydrophobicContact CD1-CE1 4.25Å; L193-F196 HydrophobicContact CD1-CE2 3.65Å; L193-F196 HydrophobicContact CD1-CG 4.21Å; L193-F196 HydrophobicContact CD1-CZ 3.91Å; L193-F196 HydrophobicContact CG-CD2 4.08Å; L193-F196 HydrophobicContact CG-CE2 4.34Å; L193-F196 WeakPolarHBondContact O-CA 3.35Å; L193-F196 VanDerWaalsContact O-CB 3.25Å; L193-F196 WeakPolarHBondContact O-CB 3.38Å; L193-F196 PolarHBondContact O-N 3.37Å; L193-Q197 PolarHBondContact O-N 2.89Å; L193-Y274 HydrophobicContact CD1-CE2 3.89Å; L193-Y274 WeakPolarHBondContact CD1-OH 3.41Å; L193-Y274 WeakPolarHBondContact CD2-OH 3.34Å; L193-Y274 WeakPolarHBondContact CG-OH 3.47Å
194	S	53.6	Low	62	Low	43 Å²	43	67.7 Å²	67.7	30%	0.301	36%	0.357	S	S	.	.	H	α-helix	trans	-55.6	-33.4	-178.7	56.1	0	0	0	0	113	R115 P192 F196	R115-S194 VanDerWaalsContact CZ-OG 3.28Å; R115-S194 PolarHBondContact NH1-OG 3.35Å; R115-S194 VanDerWaalsContact NH1-OG 3.11Å; R115-S194 PolarHBondContact NH2-OG 2.94Å; P192-S194 PolarHBondContact O-N 3.31Å; S194-F196 VanDerWaalsContact C-N 3.27Å; S194-F196 PolarHBondContact O-N 3.5Å
195	D	47.8	Very low	59.1	Low	95 Å²	95	71.4 Å²	71.4	51%	0.508	38%	0.381	S	S	.	.	H	α-helix	trans	-74.4	-24	178.9	-59.6	-27.9	0	0	0	111.4	L193 Y199	L193-D195 PolarHBondContact O-N 3.47Å; L193-D195 VanDerWaalsContact O-N 3.13Å; D195-Y199 WeakPolarHBondContact O-CD2 3.24Å; D195-Y199 WeakPolarHBondContact O-CE2 3.49Å
196	F	41.2	Very low	56.2	Low	49 Å²	49	73.2 Å²	73.2	22%	0.215	39%	0.392	C	S	.	.	H	α-helix	trans	-77.6	-35.5	177	-78.3	-124.1	0	0	0	111.7	L193 S194 K198 Y199 H200 S270 Y274	L193-F196 HydrophobicContact CB-CB 3.92Å; L193-F196 HydrophobicContact CB-CD2 3.26Å; L193-F196 HydrophobicContact CB-CE2 3.98Å; L193-F196 HydrophobicContact CB-CG 3.68Å; L193-F196 HydrophobicContact CD1-CD1 4.45Å; L193-F196 HydrophobicContact CD1-CD2 3.76Å; L193-F196 HydrophobicContact CD1-CE1 4.25Å; L193-F196 HydrophobicContact CD1-CE2 3.65Å; L193-F196 HydrophobicContact CD1-CG 4.21Å; L193-F196 HydrophobicContact CD1-CZ 3.91Å; L193-F196 HydrophobicContact CG-CD2 4.08Å; L193-F196 HydrophobicContact CG-CE2 4.34Å; L193-F196 WeakPolarHBondContact O-CA 3.35Å; L193-F196 VanDerWaalsContact O-CB 3.25Å; L193-F196 WeakPolarHBondContact O-CB 3.38Å; L193-F196 PolarHBondContact O-N 3.37Å; S194-F196 VanDerWaalsContact C-N 3.27Å; S194-F196 PolarHBondContact O-N 3.5Å; F196-K198 PolarHBondContact O-N 3.09Å; F196-Y199 PolarHBondContact O-N 3.43Å; F196-H200 PolarHBondContact O-N 3.26Å; F196-S270 WeakPolarHBondContact CE1-OG 3.28Å; F196-S270 WeakPolarHBondContact CZ-OG 3.45Å; F196-Y274 AromaticContact CE2-CE2 3.78Å; F196-Y274 HydrophobicContact CE2-CE2 3.78Å; F196-Y274 AromaticContact CE2-CZ 3.85Å; F196-Y274 WeakPolarHBondContact CE2-OH 3.24Å; F196-Y274 AromaticContact CZ-CE2 3.6Å; F196-Y274 HydrophobicContact CZ-CE2 3.6Å
197	Q	34.3	Very low	53.2	Low	111 Å²	111	74 Å²	74	52%	0.519	40%	0.4	S	S	.	.	H	α-helix	trans	-63	-29.1	177.7	-111.2	172.6	-25.5	0	0	112.5	L193 Y199 S201	L193-Q197 PolarHBondContact O-N 2.89Å; Q197-Y199 PolarHBondContact O-N 2.87Å; Q197-S201 VanDerWaalsContact O-CB 3.31Å; Q197-S201 WeakPolarHBondContact O-CB 3.36Å; Q197-S201 PolarHBondContact O-N 3.41Å; Q197-S201 PolarHBondContact O-OG 2.95Å
198	K	33.4	Very low	50.7	Low	156 Å²	156	81.6 Å²	81.6	68%	0.678	44%	0.441	S	S	*	.	H	α-helix	trans	-63.6	-30.5	171.8	-76.1	-176.3	178.1	175.4	0	112.9	F196	F196-K198 PolarHBondContact O-N 3.09Å
199	Y	33.8	Very low	48.2	Very low	151 Å²	151	83.2 Å²	83.2	59%	0.592	45%	0.447	S	S	*	.	H	α-helix	trans	-93.5	-30.9	179.6	-62.2	-73.7	0	0	0	112.4	D195 F196 Q197 V202	D195-Y199 WeakPolarHBondContact O-CD2 3.24Å; D195-Y199 WeakPolarHBondContact O-CE2 3.49Å; F196-Y199 PolarHBondContact O-N 3.43Å; Q197-Y199 PolarHBondContact O-N 2.87Å; Y199-V202 PolarHBondContact O-N 2.79Å
200	H	35.8	Very low	45.8	Very low	123 Å²	123	80.3 Å²	80.3	57%	0.569	44%	0.438	S	S	*	.	H	α-helix	trans	-76.9	-23.3	176.5	-149.5	-62.5	0	0	0	113.1	F196 V202 V203	F196-H200 PolarHBondContact O-N 3.26Å; H200-V202 PolarHBondContact O-N 3.11Å; H200-V203 CarbonylContact O-C 3.5Å; H200-V203 PolarHBondContact O-N 3.43Å; H200-V203 VanDerWaalsContact O-N 3.1Å
201	S	32.8	Very low	43.5	Very low	99 Å²	99	83.2 Å²	83.2	69%	0.692	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.6	173.6	-56.3	0	0	0	0	113.4	Q197 V203	Q197-S201 VanDerWaalsContact O-CB 3.31Å; Q197-S201 WeakPolarHBondContact O-CB 3.36Å; Q197-S201 PolarHBondContact O-N 3.41Å; Q197-S201 PolarHBondContact O-OG 2.95Å; S201-V203 VanDerWaalsContact C-N 3.32Å
202	V	32.5	Very low	41.1	Very low	86 Å²	86	86.9 Å²	86.9	52%	0.521	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-20.4	170.5	-174	0	0	0	0	110.7	Y199 H200 G204 A213	Y199-V202 PolarHBondContact O-N 2.79Å; H200-V202 PolarHBondContact O-N 3.11Å; V202-G204 PolarHBondContact O-N 2.84Å; V202-A213 HydrophobicContact CG1-CB 3.56Å
203	V	35.4	Very low	39.4	Very low	32 Å²	32	86.3 Å²	86.3	19%	0.194	48%	0.476	C	S	.	.			trans	-101.5	77.7	179.7	-162.1	0	0	0	0	108	H200 S201 L206	H200-V203 CarbonylContact O-C 3.5Å; H200-V203 PolarHBondContact O-N 3.43Å; H200-V203 VanDerWaalsContact O-N 3.1Å; S201-V203 VanDerWaalsContact C-N 3.32Å; V203-L206 HydrophobicContact CG1-CD2 3.52Å; V203-L206 HydrophobicContact CG1-CG 4.15Å
204	G	36.3	Very low	38.2	Very low	43 Å²	43	87.6 Å²	87.6	44%	0.443	48%	0.483	S	S	.	.			trans	-62.4	-170.6	160.5	0	0	0	0	0	110.9	V202 L206	V202-G204 PolarHBondContact O-N 2.84Å; G204-L206 PolarHBondContact O-N 3.17Å
205	P	35.9	Very low	37.3	Very low	115 Å²	115	87.6 Å²	87.6	75%	0.747	49%	0.49	S	S	*	.	S	Bend	trans	-42.8	125.2	167.3	-21.1	31.2	0	0	0	108.2	D207	P205-D207 PolarHBondContact O-N 2.97Å
206	L	36.4	Very low	36.9	Very low	97 Å²	97	90.4 Å²	90.4	51%	0.508	51%	0.505	S	S	.	.			trans	-64.7	79.3	-170.5	-74.5	157	0	0	0	109.5	V203 G204 V210	V203-L206 HydrophobicContact CG1-CD2 3.52Å; V203-L206 HydrophobicContact CG1-CG 4.15Å; G204-L206 PolarHBondContact O-N 3.17Å; L206-V210 HydrophobicContact CD2-CG2 3.92Å
207	D	34.2	Very low	37	Very low	99 Å²	99	89.7 Å²	89.7	53%	0.529	51%	0.506	S	S	.	.			trans	-80.1	154	167.7	-54.2	-22	0	0	0	107	P205 N209 V210	P205-D207 PolarHBondContact O-N 2.97Å; D207-N209 PolarHBondContact O-N 3.14Å; D207-V210 PolarHBondContact O-N 3.21Å
208	D	42.3	Very low	37.2	Very low	162 Å²	162	89.4 Å²	89.4	87%	0.866	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-2.6	177.7	-65.2	-44.9	0	0	0	114.8
209	N	41.1	Very low	37.6	Very low	109 Å²	109	85.1 Å²	85.1	58%	0.583	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-8.1	178.3	-64.8	-31.8	0	0	0	115.1	D207 H211 S212 A213	D207-N209 PolarHBondContact O-N 3.14Å; N209-H211 PolarHBondContact O-N 2.91Å; N209-S212 WeakPolarHBondContact O-CB 3.47Å; N209-S212 PolarHBondContact O-N 2.97Å; N209-A213 PolarHBondContact O-N 3.27Å
210	V	40.2	Very low	38.2	Very low	17 Å²	17	79.7 Å²	79.7	10%	0.103	48%	0.476	C	S	.	.	H	α-helix	trans	-61.4	-30.9	178.8	178.8	0	0	0	0	111.9	L206 D207 S212 A213 I214 I262	L206-V210 HydrophobicContact CD2-CG2 3.92Å; D207-V210 PolarHBondContact O-N 3.21Å; V210-S212 VanDerWaalsContact C-N 3.26Å; V210-S212 PolarHBondContact O-N 2.74Å; V210-A213 PolarHBondContact O-N 2.97Å; V210-I214 HydrophobicContact CG1-CD1 3.45Å; V210-I214 VanDerWaalsContact CG1-CD1 3.45Å; V210-I214 HydrophobicContact CG1-CG1 3.96Å; V210-I214 WeakPolarHBondContact O-CB 3.36Å; V210-I214 WeakPolarHBondContact O-CG1 3.49Å; V210-I214 PolarHBondContact O-N 3.09Å; V210-I262 HydrophobicContact CB-CD1 4.41Å; V210-I262 HydrophobicContact CG1-CD1 3.75Å
211	H	40.7	Very low	38.9	Very low	80 Å²	80	74 Å²	74	37%	0.37	45%	0.45	S	S	.	.	H	α-helix	trans	-60.7	-34.7	172	-77.2	37.9	0	0	0	112.6	G47 N209 G215	G47-H211 PolarHBondContact O-NE2 2.87Å; N209-H211 PolarHBondContact O-N 2.91Å; H211-G215 WeakPolarHBondContact O-CA 3.32Å; H211-G215 PolarHBondContact O-N 3.12Å
212	S	38.3	Very low	39.8	Very low	87 Å²	87	73.5 Å²	73.5	61%	0.608	44%	0.439	S	S	*	.	H	α-helix	trans	-74.7	-36.8	178.1	-66.9	0	0	0	0	112.2	N209 V210	N209-S212 WeakPolarHBondContact O-CB 3.47Å; N209-S212 PolarHBondContact O-N 2.97Å; V210-S212 VanDerWaalsContact C-N 3.26Å; V210-S212 PolarHBondContact O-N 2.74Å
213	A	37.5	Very low	40.6	Very low	49 Å²	49	72.7 Å²	72.7	41%	0.405	43%	0.428	S	S	.	.	H	α-helix	trans	-78	-31	179.7	0	0	0	0	0	113.3	V202 N209 V210	V202-A213 HydrophobicContact CG1-CB 3.56Å; N209-A213 PolarHBondContact O-N 3.27Å; V210-A213 PolarHBondContact O-N 2.97Å
214	I	38.3	Very low	41.7	Very low	37 Å²	37	78 Å²	78	19%	0.19	46%	0.456	C	S	.	.	H	α-helix	trans	-79.2	-39.4	173.6	-65.8	179	0	0	0	110.2	F43 V210 D216 S217 V220	F43-I214 HydrophobicContact CB-CG2 4.4Å; V210-I214 HydrophobicContact CG1-CD1 3.45Å; V210-I214 VanDerWaalsContact CG1-CD1 3.45Å; V210-I214 HydrophobicContact CG1-CG1 3.96Å; V210-I214 WeakPolarHBondContact O-CB 3.36Å; V210-I214 WeakPolarHBondContact O-CG1 3.49Å; V210-I214 PolarHBondContact O-N 3.09Å; I214-D216 VanDerWaalsContact C-N 3.28Å; I214-D216 PolarHBondContact O-N 3.39Å; I214-D216 VanDerWaalsContact O-N 3.16Å; I214-S217 WeakPolarHBondContact O-CB 3.41Å; I214-S217 PolarHBondContact O-N 3.44Å; I214-V220 HydrophobicContact CG2-CG2 3.42Å; I214-V220 VanDerWaalsContact CG2-CG2 3.42Å; I214-V220 WeakPolarHBondContact O-CG2 3.43Å
215	G	36	Very low	42.8	Very low	43 Å²	43	79.2 Å²	79.2	44%	0.443	45%	0.452	S	S	.	.	H	α-helix	trans	-55.9	-32.4	-174	0	0	0	0	0	115.8	H211 S217	H211-G215 WeakPolarHBondContact O-CA 3.32Å; H211-G215 PolarHBondContact O-N 3.12Å; G215-S217 VanDerWaalsContact C-N 3.32Å
216	D	39.5	Very low	43.9	Very low	154 Å²	154	74.7 Å²	74.7	82%	0.824	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-2.5	177.9	-75.8	-19.4	0	0	0	113.9	I214	I214-D216 VanDerWaalsContact C-N 3.28Å; I214-D216 PolarHBondContact O-N 3.39Å; I214-D216 VanDerWaalsContact O-N 3.16Å
217	S	41.3	Very low	45.3	Very low	33 Å²	33	75.4 Å²	75.4	23%	0.231	42%	0.422	C	S	.	.	S	Bend	trans	-73.1	133.4	179.8	-179.7	0	0	0	0	110.5	I214 G215 W219 V220	I214-S217 WeakPolarHBondContact O-CB 3.41Å; I214-S217 PolarHBondContact O-N 3.44Å; G215-S217 VanDerWaalsContact C-N 3.32Å; S217-W219 PolarHBondContact O-N 2.79Å; S217-W219 PolarHBondContact OG-N 2.98Å; S217-V220 PolarHBondContact O-N 2.7Å
218	P	38.7	Very low	46.9	Very low	106 Å²	106	74.6 Å²	74.6	69%	0.688	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-6.4	175.1	28.9	-35.9	0	0	0	113.2
219	W	43.7	Very low	48.5	Very low	65 Å²	65	70.9 Å²	70.9	25%	0.246	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-13.2	174.4	-50.1	118.6	0	0	0	112.6	P39 Y42 F43 S217 I221	P39-W219 HydrophobicContact CB-CE3 4.18Å; P39-W219 HydrophobicContact CB-CH2 3.31Å; P39-W219 HydrophobicContact CB-CZ2 3.57Å; P39-W219 HydrophobicContact CB-CZ3 3.57Å; P39-W219 HydrophobicContact CG-CH2 3.11Å; P39-W219 HydrophobicContact CG-CZ2 3.37Å; P39-W219 HydrophobicContact CG-CZ3 3.87Å; Y42-W219 CarbonylContact C-O 3.28Å; Y42-W219 WeakPolarHBondContact CA-O 3.4Å; Y42-W219 WeakPolarHBondContact CB-O 3.25Å; Y42-W219 HydrophobicContact CD1-CE3 4.42Å; Y42-W219 HydrophobicContact CE1-CE3 4.42Å; F43-W219 HydrophobicContact CD2-CB 4.16Å; F43-W219 PolarHBondContact N-O 3.46Å; S217-W219 PolarHBondContact O-N 2.79Å; S217-W219 PolarHBondContact OG-N 2.98Å; W219-I221 PolarHBondContact O-N 3.32Å
220	V	44.8	Very low	49.8	Very low	37 Å²	37	71.7 Å²	71.7	22%	0.224	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	115.1	173.7	179.8	0	0	0	0	109.1	F43 I214 S217	F43-V220 HydrophobicContact CB-CG2 4.24Å; F43-V220 CarbonylContact O-C 3.52Å; F43-V220 WeakPolarHBondContact O-CA 3.44Å; I214-V220 HydrophobicContact CG2-CG2 3.42Å; I214-V220 VanDerWaalsContact CG2-CG2 3.42Å; I214-V220 WeakPolarHBondContact O-CG2 3.43Å; S217-V220 PolarHBondContact O-N 2.7Å
221	I	50.9	Low	51.2	Low	5 Å²	5	74.3 Å²	74.3	3%	0.026	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	137.9	165.6	-64.7	174.2	0	0	0	106.5	Y42 F43 L44 W219 D225 L226 Y245	Y42-I221 VanDerWaalsContact CB-CD1 3.43Å; Y42-I221 HydrophobicContact CD1-CD1 3.55Å; Y42-I221 HydrophobicContact CD1-CG1 3.8Å; Y42-I221 HydrophobicContact CD2-CD1 4.07Å; Y42-I221 HydrophobicContact CE1-CD1 4.29Å; Y42-I221 HydrophobicContact CG-CD1 3.42Å; Y42-I221 VanDerWaalsContact CG-CD1 3.42Å; Y42-I221 HydrophobicContact CG-CG1 4.05Å; F43-I221 PolarHBondContact O-N 2.99Å; L44-I221 WeakPolarHBondContact CA-O 3.35Å; L44-I221 HydrophobicContact CD2-CB 3.45Å; L44-I221 VanDerWaalsContact CD2-CB 3.45Å; L44-I221 HydrophobicContact CD2-CG2 3.44Å; L44-I221 VanDerWaalsContact CD2-CG2 3.44Å; L44-I221 WeakPolarHBondContact CD2-O 3.46Å; L44-I221 HydrophobicContact CG-CB 4.21Å; W219-I221 PolarHBondContact O-N 3.32Å; I221-D225 HydrophobicContact CG2-CB 4.04Å; I221-L226 HydrophobicContact CG2-CD2 4.24Å; I221-L226 HydrophobicContact CG2-CG 4.08Å; I221-Y245 HydrophobicContact CB-CE2 4.21Å; I221-Y245 HydrophobicContact CD1-CD1 4Å; I221-Y245 HydrophobicContact CD1-CD2 4.12Å; I221-Y245 HydrophobicContact CD1-CE1 3.7Å; I221-Y245 HydrophobicContact CD1-CE2 3.84Å; I221-Y245 HydrophobicContact CD1-CG 4.2Å; I221-Y245 HydrophobicContact CG1-CE1 4.28Å; I221-Y245 HydrophobicContact CG1-CE2 3.9Å; I221-Y245 HydrophobicContact CG2-CD2 3.68Å; I221-Y245 HydrophobicContact CG2-CE2 3.3Å
222	D	50.9	Low	52.2	Low	88 Å²	88	74.7 Å²	74.7	47%	0.471	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	137.3	168.6	-161.9	-46	0	0	0	108.6	D224 D225	D222-D224 PolarHBondContact O-N 3.32Å; D222-D224 PolarHBondContact OD1-N 2.56Å; D222-D225 WeakPolarHBondContact O-CB 3.31Å; D222-D225 PolarHBondContact O-N 3.2Å
223	K	50.1	Low	53	Low	68 Å²	68	71.7 Å²	71.7	30%	0.296	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-58.8	-29.9	175.5	-174.1	-172	168.7	-168.7	0	111.3	E46 D225 L226	E46-K223 HydrophobicContact CB-CB 4.4Å; E46-K223 HydrophobicContact CB-CD 3.91Å; E46-K223 HydrophobicContact CG-CD 3.86Å; E46-K223 VanDerWaalsContact OE1-CD 3.25Å; E46-K223 WeakPolarHBondContact OE1-CD 3.48Å; E46-K223 IonicContact OE1-NZ 2.67Å; E46-K223 PolarHBondContact OE1-NZ 3.36Å; E46-K223 WeakPolarHBondContact OE2-CD 3.46Å; E46-K223 WeakPolarHBondContact OE2-CE 3.4Å; E46-K223 IonicContact OE2-NZ 2.62Å; E46-K223 PolarHBondContact OE2-NZ 3.17Å; K223-D225 PolarHBondContact O-N 3.01Å; K223-L226 WeakPolarHBondContact O-CA 3.39Å; K223-L226 WeakPolarHBondContact O-CB 3.4Å; K223-L226 PolarHBondContact O-N 3.21Å
224	D	59.2	Low	54.1	Low	144 Å²	144	76.6 Å²	76.6	77%	0.77	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-65.5	-22.2	176.9	-70	-19.7	0	0	0	112.8	D222 L226	D222-D224 PolarHBondContact O-N 3.32Å; D222-D224 PolarHBondContact OD1-N 2.56Å; D224-L226 PolarHBondContact O-N 2.69Å
225	D	59.7	Low	54.8	Low	69 Å²	69	76.1 Å²	76.1	37%	0.369	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-78.7	-6.2	171.4	-79.4	-10.1	0	0	0	112.7	I221 D222 K223 Y245 R246	I221-D225 HydrophobicContact CG2-CB 4.04Å; D222-D225 WeakPolarHBondContact O-CB 3.31Å; D222-D225 PolarHBondContact O-N 3.2Å; K223-D225 PolarHBondContact O-N 3.01Å; D225-Y245 HydrophobicContact CB-CD2 3.98Å; D225-Y245 HydrophobicContact CB-CE2 3.71Å; D225-Y245 WeakPolarHBondContact O-CD2 3.28Å; D225-R246 IonicContact OD2-NE 3.99Å; D225-R246 IonicContact OD2-NH2 3.76Å
226	L	57.5	Low	55.4	Low	19 Å²	19	80.1 Å²	80.1	10%	0.099	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.7	179.1	-66.9	-173.2	0	0	0	113.1	L44 I221 K223 D224 E244 Y245 V250 I252	L44-L226 HydrophobicContact CD1-CD1 3.34Å; L44-L226 HydrophobicContact CD2-CD1 3.17Å; L44-L226 HydrophobicContact CD2-CG 3.75Å; L44-L226 HydrophobicContact CG-CD1 3.88Å; I221-L226 HydrophobicContact CG2-CD2 4.24Å; I221-L226 HydrophobicContact CG2-CG 4.08Å; K223-L226 WeakPolarHBondContact O-CA 3.39Å; K223-L226 WeakPolarHBondContact O-CB 3.4Å; K223-L226 PolarHBondContact O-N 3.21Å; D224-L226 PolarHBondContact O-N 2.69Å; L226-E244 WeakPolarHBondContact CA-O 3.5Å; L226-Y245 HydrophobicContact CD2-CD2 3.71Å; L226-Y245 HydrophobicContact CD2-CG 3.91Å; L226-V250 HydrophobicContact CD2-CG2 4.43Å; L226-I252 HydrophobicContact CD1-CD1 3.93Å; L226-I252 HydrophobicContact CD1-CG1 4.43Å; L226-I252 HydrophobicContact CD2-CD1 4.33Å
227	Q	66.9	Low	56.1	Low	112 Å²	112	77.3 Å²	77.3	52%	0.523	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.2	165.9	-57.5	-179.8	-9.4	0	0	108	G243 E244	Q227-G243 CarbonylContact O-C 3.56Å; Q227-G243 VanDerWaalsContact O-C 3.28Å; Q227-G243 WeakPolarHBondContact O-CA 3.13Å; Q227-E244 HydrophobicContact CB-CB 4.06Å; Q227-E244 PolarHBondContact N-O 2.79Å; Q227-E244 PolarHBondContact O-N 2.82Å
228	L	67.7	Low	56.8	Low	83 Å²	83	75.7 Å²	75.7	44%	0.435	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	134.5	177	-57.8	-177.4	0	0	0	110.3	V241 I252	L228-V241 HydrophobicContact CB-CG1 4.48Å; L228-I252 HydrophobicContact CD2-CB 4.35Å; L228-I252 HydrophobicContact CD2-CD1 3.26Å; L228-I252 HydrophobicContact CD2-CG1 4.38Å; L228-I252 HydrophobicContact CD2-CG2 4.15Å
229	H	75	Confident	57.8	Low	84 Å²	84	73.4 Å²	73.4	39%	0.389	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-146.8	-179.2	-57.4	179.2	0	0	0	110.6	V241 A242	H229-V241 WeakPolarHBondContact O-CG1 3.21Å; H229-A242 WeakPolarHBondContact CA-O 3.4Å; H229-A242 HydrophobicContact CB-CB 4.02Å; H229-A242 WeakPolarHBondContact CB-O 3.39Å; H229-A242 PolarHBondContact N-O 3.13Å
230	E	68.3	Low	58.6	Low	125 Å²	125	71 Å²	71	58%	0.584	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	153.8	179.6	66.1	-77.4	170.1	0	0	114.1	I232 V241 A242	E230-I232 HydrophobicContact CG-CG2 4.17Å; E230-I232 PolarHBondContact O-N 3.14Å; E230-V241 CarbonylContact O-C 3.55Å; E230-V241 WeakPolarHBondContact O-CA 3.22Å; E230-V241 VanDerWaalsContact O-CG1 3.29Å; E230-V241 WeakPolarHBondContact O-CG1 3.43Å; E230-A242 PolarHBondContact O-N 2.91Å
231	V	70.2	Confident	59.2	Low	72 Å²	72	70 Å²	70	44%	0.436	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	120.9	168.4	-178	0	0	0	0	108.8	G233 D239 V240 V241	V231-G233 WeakPolarHBondContact CG1-O 3.45Å; V231-D239 HydrophobicContact CG1-CB 4.14Å; V231-V240 CarbonylContact C-O 3.45Å; V231-V240 WeakPolarHBondContact CG1-O 3.07Å; V231-V241 HydrophobicContact CG2-CG2 4.3Å
232	I	61.5	Low	59.7	Low	88 Å²	88	70.4 Å²	70.4	45%	0.451	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-9.6	179.3	60.5	172	0	0	0	113.2	E230 V240 A242 A251	E230-I232 HydrophobicContact CG-CG2 4.17Å; E230-I232 PolarHBondContact O-N 3.14Å; I232-V240 HydrophobicContact CD1-CG1 3.89Å; I232-V240 HydrophobicContact CG1-CB 4.16Å; I232-V240 HydrophobicContact CG1-CG1 3.76Å; I232-V240 WeakPolarHBondContact CG1-O 3.36Å; I232-V240 PolarHBondContact N-O 3.07Å; I232-A242 HydrophobicContact CD1-CB 4.47Å; I232-A242 HydrophobicContact CG2-CB 3.65Å; I232-A251 HydrophobicContact CD1-CB 3.76Å
233	G	56.4	Low	60.3	Low	25 Å²	25	66.4 Å²	66.4	26%	0.258	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	151.2	175.7	0	0	0	0	0	113	V231 D239 V240	V231-G233 WeakPolarHBondContact CG1-O 3.45Å; G233-D239 CarbonylContact O-C 3.44Å; G233-D239 WeakPolarHBondContact O-CA 3.47Å; G233-V240 PolarHBondContact N-O 2.9Å; G233-V240 PolarHBondContact O-N 2.9Å
234	H	59	Low	60.9	Low	152 Å²	152	66 Å²	66	70%	0.704	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.8	170.3	-66.2	-71.1	0	0	0	108.3	D239	H234-D239 IonicContact CE1-OD1 2.75Å; H234-D239 IonicContact CE1-OD2 2.66Å; H234-D239 IonicContact CG-OD1 2.76Å; H234-D239 VanDerWaalsContact ND1-CG 3.29Å; H234-D239 IonicContact ND1-OD1 3.1Å; H234-D239 PolarHBondContact ND1-OD1 3.01Å; H234-D239 IonicContact ND1-OD2 2.59Å
235	G	52.9	Low	60.9	Low	27 Å²	27	60.6 Å²	60.6	28%	0.278	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	164.5	178.2	0	0	0	0	0	112.3	F237 G238 K256	G235-F237 VanDerWaalsContact C-N 3.26Å; G235-F237 PolarHBondContact O-N 2.82Å; G235-G238 CarbonylContact C-O 3.55Å; G235-G238 VanDerWaalsContact CA-O 3.24Å; G235-G238 WeakPolarHBondContact CA-O 3.28Å; G235-G238 PolarHBondContact N-O 2.86Å; G235-G238 PolarHBondContact O-N 3.32Å; G235-K256 PolarHBondContact O-NZ 3.13Å
236	E	49.7	Very low	61.2	Low	126 Å²	126	66.1 Å²	66.1	59%	0.589	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-45.8	175.2	-169.2	-179.6	164.2	0	0	111	K256	E236-K256 PolarHBondContact O-NZ 3.14Å; E236-K256 VanDerWaalsContact O-NZ 3.1Å
237	F	53	Low	61.5	Low	95 Å²	95	68 Å²	68	42%	0.417	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.6	-176.4	-52.3	-80.7	0	0	0	115.1	G235 M255 K256	G235-F237 VanDerWaalsContact C-N 3.26Å; G235-F237 PolarHBondContact O-N 2.82Å; F237-M255 HydrophobicContact CB-CE 4.28Å; F237-K256 PolarHBondContact O-N 3.46Å
238	G	56.3	Low	60.6	Low	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.9	166.7	-171.2	0	0	0	0	0	113.9	G235 V254	G235-G238 CarbonylContact C-O 3.55Å; G235-G238 VanDerWaalsContact CA-O 3.24Å; G235-G238 WeakPolarHBondContact CA-O 3.28Å; G235-G238 PolarHBondContact N-O 2.86Å; G235-G238 PolarHBondContact O-N 3.32Å; G238-V254 CarbonylContact C-O 3.53Å; G238-V254 WeakPolarHBondContact CA-O 3.3Å
239	D	59.4	Low	60	Low	57 Å²	57	72.4 Å²	72.4	31%	0.305	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	147	175.7	-64.4	-20.8	0	0	0	109.5	V231 G233 H234 K253 V254	V231-D239 HydrophobicContact CG1-CB 4.14Å; G233-D239 CarbonylContact O-C 3.44Å; G233-D239 WeakPolarHBondContact O-CA 3.47Å; H234-D239 IonicContact CE1-OD1 2.75Å; H234-D239 IonicContact CE1-OD2 2.66Å; H234-D239 IonicContact CG-OD1 2.76Å; H234-D239 VanDerWaalsContact ND1-CG 3.29Å; H234-D239 IonicContact ND1-OD1 3.1Å; H234-D239 PolarHBondContact ND1-OD1 3.01Å; H234-D239 IonicContact ND1-OD2 2.59Å; D239-K253 CarbonylContact O-C 3.57Å; D239-V254 PolarHBondContact N-O 3.31Å; D239-V254 PolarHBondContact O-N 3.3Å
240	V	60.7	Low	59	Low	16 Å²	16	69.2 Å²	69.2	10%	0.097	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.9	173	-173.5	0	0	0	0	107.1	F57 V231 I232 G233 A251 I252 K253	F57-V240 HydrophobicContact CE1-CG1 4.14Å; V231-V240 CarbonylContact C-O 3.45Å; V231-V240 WeakPolarHBondContact CG1-O 3.07Å; I232-V240 HydrophobicContact CD1-CG1 3.89Å; I232-V240 HydrophobicContact CG1-CB 4.16Å; I232-V240 HydrophobicContact CG1-CG1 3.76Å; I232-V240 WeakPolarHBondContact CG1-O 3.36Å; I232-V240 PolarHBondContact N-O 3.07Å; G233-V240 PolarHBondContact N-O 2.9Å; G233-V240 PolarHBondContact O-N 2.9Å; V240-A251 HydrophobicContact CG1-CB 4Å; V240-I252 CarbonylContact C-O 3.4Å; V240-I252 WeakPolarHBondContact CA-O 3.3Å; V240-K253 HydrophobicContact CG2-CG 4.21Å
241	V	58.1	Low	58.5	Low	14 Å²	14	63.9 Å²	63.9	9%	0.085	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.8	-175.6	-165.7	0	0	0	0	108.4	L228 H229 E230 V231 A251 I252 V254	L228-V241 HydrophobicContact CB-CG1 4.48Å; H229-V241 WeakPolarHBondContact O-CG1 3.21Å; E230-V241 CarbonylContact O-C 3.55Å; E230-V241 WeakPolarHBondContact O-CA 3.22Å; E230-V241 VanDerWaalsContact O-CG1 3.29Å; E230-V241 WeakPolarHBondContact O-CG1 3.43Å; V231-V241 HydrophobicContact CG2-CG2 4.3Å; V241-A251 CarbonylContact O-C 3.52Å; V241-A251 WeakPolarHBondContact O-CA 3.26Å; V241-I252 PolarHBondContact N-O 2.81Å; V241-I252 PolarHBondContact O-N 2.86Å; V241-V254 HydrophobicContact CB-CG2 4.46Å; V241-V254 HydrophobicContact CG2-CB 4.47Å; V241-V254 HydrophobicContact CG2-CG2 3.59Å
242	A	61.9	Low	58.1	Low	15 Å²	15	60.5 Å²	60.5	12%	0.124	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	159.6	166.3	0	0	0	0	0	109.9	H229 E230 I232 V250	H229-A242 WeakPolarHBondContact CA-O 3.4Å; H229-A242 HydrophobicContact CB-CB 4.02Å; H229-A242 WeakPolarHBondContact CB-O 3.39Å; H229-A242 PolarHBondContact N-O 3.13Å; E230-A242 PolarHBondContact O-N 2.91Å; I232-A242 HydrophobicContact CD1-CB 4.47Å; I232-A242 HydrophobicContact CG2-CB 3.65Å; A242-V250 CarbonylContact C-O 3.47Å
243	G	63.1	Low	58.2	Low	3 Å²	3	57.9 Å²	57.9	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	-172.5	176	0	0	0	0	0	113.1	Q227 K249 V250	Q227-G243 CarbonylContact O-C 3.56Å; Q227-G243 VanDerWaalsContact O-C 3.28Å; Q227-G243 WeakPolarHBondContact O-CA 3.13Å; G243-K249 CarbonylContact O-C 3.43Å; G243-K249 WeakPolarHBondContact O-CA 3.48Å; G243-V250 PolarHBondContact N-O 3.33Å; G243-V250 WeakPolarHBondContact O-CG2 3.45Å; G243-V250 PolarHBondContact O-N 2.95Å
244	E	62.4	Low	58.4	Low	60 Å²	60	59.1 Å²	59.1	28%	0.28	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.5	178.1	-162.6	174.6	134.6	0	0	110.4	L226 Q227 G247 Q248	L226-E244 WeakPolarHBondContact CA-O 3.5Å; Q227-E244 HydrophobicContact CB-CB 4.06Å; Q227-E244 PolarHBondContact N-O 2.79Å; Q227-E244 PolarHBondContact O-N 2.82Å; E244-G247 WeakPolarHBondContact OE1-CA 3.44Å; E244-Q248 CarbonylContact C-O 3.55Å; E244-Q248 WeakPolarHBondContact CA-O 3.48Å
245	Y	59.7	Low	58.2	Low	30 Å²	30	53 Å²	53	12%	0.118	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	117.5	172	177.6	-122.3	0	0	0	108.6	I221 D225 L226 G247 Q248	I221-Y245 HydrophobicContact CB-CE2 4.21Å; I221-Y245 HydrophobicContact CD1-CD1 4Å; I221-Y245 HydrophobicContact CD1-CD2 4.12Å; I221-Y245 HydrophobicContact CD1-CE1 3.7Å; I221-Y245 HydrophobicContact CD1-CE2 3.84Å; I221-Y245 HydrophobicContact CD1-CG 4.2Å; I221-Y245 HydrophobicContact CG1-CE1 4.28Å; I221-Y245 HydrophobicContact CG1-CE2 3.9Å; I221-Y245 HydrophobicContact CG2-CD2 3.68Å; I221-Y245 HydrophobicContact CG2-CE2 3.3Å; D225-Y245 HydrophobicContact CB-CD2 3.98Å; D225-Y245 HydrophobicContact CB-CE2 3.71Å; D225-Y245 WeakPolarHBondContact O-CD2 3.28Å; L226-Y245 HydrophobicContact CD2-CD2 3.71Å; L226-Y245 HydrophobicContact CD2-CG 3.91Å; Y245-G247 VanDerWaalsContact C-N 3.27Å; Y245-G247 PolarHBondContact O-N 2.72Å; Y245-Q248 PolarHBondContact N-O 2.93Å; Y245-Q248 WeakPolarHBondContact O-CB 3.34Å; Y245-Q248 PolarHBondContact O-N 3.14Å
246	R	66	Low	58.1	Low	186 Å²	186	57.7 Å²	57.7	70%	0.702	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	44.2	178.9	-62.4	-177.1	173.1	-179.9	1.8	113.9	D225 Q248	D225-R246 IonicContact OD2-NE 3.99Å; D225-R246 IonicContact OD2-NH2 3.76Å; R246-Q248 VanDerWaalsContact C-N 3.27Å; R246-Q248 PolarHBondContact O-N 2.81Å
247	G	63.7	Low	58	Low	58 Å²	58	63 Å²	63	60%	0.598	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-3.5	-179.1	0	0	0	0	0	115	E244 Y245	E244-G247 WeakPolarHBondContact OE1-CA 3.44Å; Y245-G247 VanDerWaalsContact C-N 3.27Å; Y245-G247 PolarHBondContact O-N 2.72Å
248	Q	47.4	Very low	57.8	Low	138 Å²	138	60.6 Å²	60.6	65%	0.645	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.8	-178.8	-58.4	-165.2	-39.7	0	0	110.5	E244 Y245 R246 V250	E244-Q248 CarbonylContact C-O 3.55Å; E244-Q248 WeakPolarHBondContact CA-O 3.48Å; Y245-Q248 PolarHBondContact N-O 2.93Å; Y245-Q248 WeakPolarHBondContact O-CB 3.34Å; Y245-Q248 PolarHBondContact O-N 3.14Å; R246-Q248 VanDerWaalsContact C-N 3.27Å; R246-Q248 PolarHBondContact O-N 2.81Å; Q248-V250 PolarHBondContact O-N 2.79Å
249	K	56.6	Low	57.1	Low	150 Å²	150	68.3 Å²	68.3	65%	0.652	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	133.6	172.7	-67	-177.5	177.6	-178.2	0	110.7	G243	G243-K249 CarbonylContact O-C 3.43Å; G243-K249 WeakPolarHBondContact O-CA 3.48Å
250	V	53.7	Low	56.5	Low	17 Å²	17	71.3 Å²	71.3	10%	0.103	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	142.3	-175.9	-71.8	0	0	0	0	110.6	F58 L226 A242 G243 Q248 I252	F58-V250 HydrophobicContact CD1-CB 4.19Å; F58-V250 HydrophobicContact CD1-CG1 4.33Å; F58-V250 VanDerWaalsContact CE1-CA 3.4Å; F58-V250 HydrophobicContact CE1-CB 3.38Å; F58-V250 HydrophobicContact CE1-CG1 3.65Å; F58-V250 HydrophobicContact CZ-CB 3.9Å; F58-V250 HydrophobicContact CZ-CG1 3.83Å; L226-V250 HydrophobicContact CD2-CG2 4.43Å; A242-V250 CarbonylContact C-O 3.47Å; G243-V250 PolarHBondContact N-O 3.33Å; G243-V250 WeakPolarHBondContact O-CG2 3.45Å; G243-V250 PolarHBondContact O-N 2.95Å; Q248-V250 PolarHBondContact O-N 2.79Å; V250-I252 HydrophobicContact CB-CG1 4.37Å; V250-I252 HydrophobicContact CG2-CD1 3.75Å; V250-I252 HydrophobicContact CG2-CG1 3.86Å
251	A	58.1	Low	55.7	Low	12 Å²	12	71.7 Å²	71.7	10%	0.099	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.2	156.6	0	0	0	0	0	111.2	F57 F58 I232 V240 V241	F57-A251 HydrophobicContact CD1-CB 4.03Å; F57-A251 HydrophobicContact CE1-CB 4.12Å; F58-A251 HydrophobicContact CD1-CB 4.29Å; F58-A251 HydrophobicContact CE1-CB 4.32Å; F58-A251 WeakPolarHBondContact CE1-O 3.27Å; I232-A251 HydrophobicContact CD1-CB 3.76Å; V240-A251 HydrophobicContact CG1-CB 4Å; V241-A251 CarbonylContact O-C 3.52Å; V241-A251 WeakPolarHBondContact O-CA 3.26Å
252	I	60.9	Low	55	Low	2 Å²	2	72.5 Å²	72.5	1%	0.01	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.8	-171.9	-61	159.3	0	0	0	107.7	L44 L226 L228 V240 V241 V250 V254	L44-I252 HydrophobicContact CD1-CG2 4.25Å; L226-I252 HydrophobicContact CD1-CD1 3.93Å; L226-I252 HydrophobicContact CD1-CG1 4.43Å; L226-I252 HydrophobicContact CD2-CD1 4.33Å; L228-I252 HydrophobicContact CD2-CB 4.35Å; L228-I252 HydrophobicContact CD2-CD1 3.26Å; L228-I252 HydrophobicContact CD2-CG1 4.38Å; L228-I252 HydrophobicContact CD2-CG2 4.15Å; V240-I252 CarbonylContact C-O 3.4Å; V240-I252 WeakPolarHBondContact CA-O 3.3Å; V241-I252 PolarHBondContact N-O 2.81Å; V241-I252 PolarHBondContact O-N 2.86Å; V250-I252 HydrophobicContact CB-CG1 4.37Å; V250-I252 HydrophobicContact CG2-CD1 3.75Å; V250-I252 HydrophobicContact CG2-CG1 3.86Å; I252-V254 HydrophobicContact CG2-CG2 4.41Å; I252-V254 PolarHBondContact O-N 3.14Å
253	K	63.6	Low	54.4	Low	33 Å²	33	76.4 Å²	76.4	14%	0.143	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	113.7	176.7	-166.3	174.3	-169.9	-176.1	0	109.8	D239 V240 E268	D239-K253 CarbonylContact O-C 3.57Å; V240-K253 HydrophobicContact CG2-CG 4.21Å; K253-E268 WeakPolarHBondContact CD-OE1 3.36Å; K253-E268 WeakPolarHBondContact CD-OE2 3.37Å; K253-E268 WeakPolarHBondContact CE-OE1 3.47Å; K253-E268 WeakPolarHBondContact CE-OE2 3.33Å; K253-E268 IonicContact NZ-OE1 2.73Å; K253-E268 PolarHBondContact NZ-OE1 3.33Å; K253-E268 IonicContact NZ-OE2 3.16Å; K253-E268 PolarHBondContact NZ-OE2 3.29Å
254	V	60.2	Low	53.7	Low	50 Å²	50	77.9 Å²	77.9	30%	0.303	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	108.6	178	-177.2	0	0	0	0	108.1	G238 D239 V241 I252	G238-V254 CarbonylContact C-O 3.53Å; G238-V254 WeakPolarHBondContact CA-O 3.3Å; D239-V254 PolarHBondContact N-O 3.31Å; D239-V254 PolarHBondContact O-N 3.3Å; V241-V254 HydrophobicContact CB-CG2 4.46Å; V241-V254 HydrophobicContact CG2-CB 4.47Å; V241-V254 HydrophobicContact CG2-CG2 3.59Å; I252-V254 HydrophobicContact CG2-CG2 4.41Å; I252-V254 PolarHBondContact O-N 3.14Å
255	M	54	Low	53.1	Low	24 Å²	24	75.1 Å²	75.1	12%	0.118	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	142.7	-179.8	-82.1	-153	153.1	0	0	113	F237 V261 L265	F237-M255 HydrophobicContact CB-CE 4.28Å; M255-V261 HydrophobicContact CB-CG1 4.39Å; M255-V261 HydrophobicContact SD-CG1 4.09Å; M255-L265 HydrophobicContact CB-CD2 4.43Å; M255-L265 HydrophobicContact CE-CD2 3.8Å; M255-L265 HydrophobicContact CE-CG 4.1Å; M255-L265 HydrophobicContact CG-CD2 3.54Å; M255-L265 HydrophobicContact CG-CG 4.3Å; M255-L265 HydrophobicContact SD-CB 4.25Å; M255-L265 HydrophobicContact SD-CD1 4.44Å; M255-L265 HydrophobicContact SD-CD2 3.16Å; M255-L265 WeakPolarHBondContact SD-CD2 3.28Å; M255-L265 HydrophobicContact SD-CG 3.32Å; M255-L265 WeakPolarHBondContact SD-CG 3.16Å
256	K	52.1	Low	52.6	Low	125 Å²	125	76 Å²	76	54%	0.543	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-66.3	137.3	170.8	-67.9	171.6	-173.5	159.8	0	109.3	G235 E236 F237 G258 V261	G235-K256 PolarHBondContact O-NZ 3.13Å; E236-K256 PolarHBondContact O-NZ 3.14Å; E236-K256 VanDerWaalsContact O-NZ 3.1Å; F237-K256 PolarHBondContact O-N 3.46Å; K256-G258 PolarHBondContact O-N 3.47Å; K256-V261 WeakPolarHBondContact O-CG2 3.44Å
257	R	47.9	Very low	51.9	Low	237 Å²	237	71.4 Å²	71.4	89%	0.894	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-56.9	133	178	-67.8	179.8	179.6	171.3	-1	110.6
258	G	48	Very low	51.3	Low	46 Å²	46	69.8 Å²	69.8	47%	0.474	34%	0.343	S	S	.	.	S	Bend	trans	179.1	162.9	176	0	0	0	0	0	113.2	K256 H260 V261	K256-G258 PolarHBondContact O-N 3.47Å; G258-H260 PolarHBondContact O-N 3.47Å; G258-H260 VanDerWaalsContact O-N 3.11Å; G258-V261 WeakPolarHBondContact O-CG2 3.39Å; G258-V261 PolarHBondContact O-N 3.26Å
259	N	40.8	Very low	51.5	Low	162 Å²	162	63.3 Å²	63.3	87%	0.866	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.9	-175.8	-68.1	-2.8	0	0	0	113.9
260	H	48.1	Very low	51.1	Low	119 Å²	119	56.9 Å²	56.9	55%	0.551	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	18	-178	-58.8	-72.6	0	0	0	113.5	G258 I262 E263 S264	G258-H260 PolarHBondContact O-N 3.47Å; G258-H260 VanDerWaalsContact O-N 3.11Å; H260-I262 PolarHBondContact O-N 2.85Å; H260-E263 IonicContact CG-OE2 3.13Å; H260-E263 IonicContact ND1-OE2 2.65Å; H260-E263 PolarHBondContact ND1-OE2 3.09Å; H260-E263 PolarHBondContact O-N 3.43Å; H260-S264 VanDerWaalsContact O-CB 3.24Å; H260-S264 WeakPolarHBondContact O-CB 3.27Å; H260-S264 PolarHBondContact O-N 3.24Å; H260-S264 PolarHBondContact O-OG 3Å
261	V	44	Very low	51	Low	24 Å²	24	58.8 Å²	58.8	15%	0.145	30%	0.295	C	S	.	.	H	α-helix	trans	-56.2	-51	-177.2	167.2	0	0	0	0	110.3	V50 M255 K256 G258 E263 S264 L265	V50-V261 HydrophobicContact CB-CG1 4.46Å; M255-V261 HydrophobicContact CB-CG1 4.39Å; M255-V261 HydrophobicContact SD-CG1 4.09Å; K256-V261 WeakPolarHBondContact O-CG2 3.44Å; G258-V261 WeakPolarHBondContact O-CG2 3.39Å; G258-V261 PolarHBondContact O-N 3.26Å; V261-E263 PolarHBondContact O-N 2.9Å; V261-S264 PolarHBondContact O-N 3.45Å; V261-L265 HydrophobicContact CG1-CD1 3.76Å; V261-L265 HydrophobicContact CG1-CG 4.04Å; V261-L265 WeakPolarHBondContact O-CB 3.44Å; V261-L265 WeakPolarHBondContact O-CG 3.38Å; V261-L265 PolarHBondContact O-N 2.76Å
262	I	43.8	Very low	50.6	Low	32 Å²	32	59.5 Å²	59.5	16%	0.164	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-42	-175.3	-56.9	-179.4	0	0	0	112.4	V210 H260 L265 L266	V210-I262 HydrophobicContact CB-CD1 4.41Å; V210-I262 HydrophobicContact CG1-CD1 3.75Å; H260-I262 PolarHBondContact O-N 2.85Å; I262-L265 WeakPolarHBondContact O-CB 3.45Å; I262-L265 PolarHBondContact O-N 3.39Å; I262-L266 HydrophobicContact CG2-CD1 3.92Å; I262-L266 HydrophobicContact CG2-CG 4.39Å; I262-L266 WeakPolarHBondContact O-CB 3.47Å; I262-L266 VanDerWaalsContact O-CG 3.27Å; I262-L266 WeakPolarHBondContact O-CG 3.46Å; I262-L266 PolarHBondContact O-N 2.8Å
263	E	48	Very low	49.8	Very low	96 Å²	96	62.6 Å²	62.6	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-64.2	-45.5	177.1	-68.5	177	155.3	0	0	111.2	H260 V261 L265 L266 Q267	H260-E263 IonicContact CG-OE2 3.13Å; H260-E263 IonicContact ND1-OE2 2.65Å; H260-E263 PolarHBondContact ND1-OE2 3.09Å; H260-E263 PolarHBondContact O-N 3.43Å; V261-E263 PolarHBondContact O-N 2.9Å; E263-L265 VanDerWaalsContact C-N 3.32Å; E263-L265 PolarHBondContact O-N 2.85Å; E263-L266 PolarHBondContact O-N 2.87Å; E263-Q267 WeakPolarHBondContact O-CB 3.34Å; E263-Q267 PolarHBondContact O-N 3.19Å
264	S	48.6	Very low	49	Very low	34 Å²	34	63.6 Å²	63.6	24%	0.238	32%	0.315	C	S	.	.	H	α-helix	trans	-64.3	-39.8	177.7	-55.1	0	0	0	0	111.3	H260 V261 Q267 E268	H260-S264 VanDerWaalsContact O-CB 3.24Å; H260-S264 WeakPolarHBondContact O-CB 3.27Å; H260-S264 PolarHBondContact O-N 3.24Å; H260-S264 PolarHBondContact O-OG 3Å; V261-S264 PolarHBondContact O-N 3.45Å; S264-Q267 PolarHBondContact O-N 3Å; S264-E268 WeakPolarHBondContact O-CB 3.4Å; S264-E268 PolarHBondContact O-N 2.78Å
265	L	49.5	Very low	48.2	Very low	3 Å²	3	65.3 Å²	65.3	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-60.1	-53.1	175.5	-85.9	-175.8	0	0	0	110.6	V50 I52 M255 V261 I262 E263 Q267 E268 A269	V50-L265 HydrophobicContact CB-CD1 3.51Å; V50-L265 HydrophobicContact CG1-CD1 3.33Å; I52-L265 HydrophobicContact CB-CD2 3.72Å; I52-L265 VanDerWaalsContact CD1-CA 3.46Å; I52-L265 HydrophobicContact CD1-CB 3.28Å; I52-L265 HydrophobicContact CD1-CD1 4.26Å; I52-L265 HydrophobicContact CD1-CD2 3.41Å; I52-L265 VanDerWaalsContact CD1-CD2 3.41Å; I52-L265 HydrophobicContact CD1-CG 3.75Å; I52-L265 WeakPolarHBondContact CD1-O 3.36Å; I52-L265 HydrophobicContact CG1-CB 4.18Å; I52-L265 HydrophobicContact CG1-CD1 4.29Å; I52-L265 HydrophobicContact CG1-CD2 3.53Å; I52-L265 HydrophobicContact CG1-CG 4.16Å; M255-L265 HydrophobicContact CB-CD2 4.43Å; M255-L265 HydrophobicContact CE-CD2 3.8Å; M255-L265 HydrophobicContact CE-CG 4.1Å; M255-L265 HydrophobicContact CG-CD2 3.54Å; M255-L265 HydrophobicContact CG-CG 4.3Å; M255-L265 HydrophobicContact SD-CB 4.25Å; M255-L265 HydrophobicContact SD-CD1 4.44Å; M255-L265 HydrophobicContact SD-CD2 3.16Å; M255-L265 WeakPolarHBondContact SD-CD2 3.28Å; M255-L265 HydrophobicContact SD-CG 3.32Å; M255-L265 WeakPolarHBondContact SD-CG 3.16Å; V261-L265 HydrophobicContact CG1-CD1 3.76Å; V261-L265 HydrophobicContact CG1-CG 4.04Å; V261-L265 WeakPolarHBondContact O-CB 3.44Å; V261-L265 WeakPolarHBondContact O-CG 3.38Å; V261-L265 PolarHBondContact O-N 2.76Å; I262-L265 WeakPolarHBondContact O-CB 3.45Å; I262-L265 PolarHBondContact O-N 3.39Å; E263-L265 VanDerWaalsContact C-N 3.32Å; E263-L265 PolarHBondContact O-N 2.85Å; L265-Q267 VanDerWaalsContact C-N 3.32Å; L265-Q267 PolarHBondContact O-N 3.07Å; L265-E268 PolarHBondContact O-N 2.65Å; L265-A269 WeakPolarHBondContact O-CB 3.47Å; L265-A269 PolarHBondContact O-N 2.77Å
266	L	49.3	Very low	47.4	Very low	49 Å²	49	64.8 Å²	64.8	26%	0.257	32%	0.324	S	S	.	.	H	α-helix	trans	-61.7	-42.9	178.6	-73.3	168.7	0	0	0	110.9	F43 I262 E263 E268 A269 S270	F43-L266 HydrophobicContact CE1-CD2 4.05Å; F43-L266 HydrophobicContact CZ-CD2 3.76Å; I262-L266 HydrophobicContact CG2-CD1 3.92Å; I262-L266 HydrophobicContact CG2-CG 4.39Å; I262-L266 WeakPolarHBondContact O-CB 3.47Å; I262-L266 VanDerWaalsContact O-CG 3.27Å; I262-L266 WeakPolarHBondContact O-CG 3.46Å; I262-L266 PolarHBondContact O-N 2.8Å; E263-L266 PolarHBondContact O-N 2.87Å; L266-E268 PolarHBondContact O-N 3.15Å; L266-A269 PolarHBondContact O-N 3.06Å; L266-S270 WeakPolarHBondContact O-CB 3.38Å; L266-S270 PolarHBondContact O-N 3.29Å; L266-S270 PolarHBondContact O-OG 3.02Å
267	Q	51.6	Low	46.4	Very low	88 Å²	88	60.4 Å²	60.4	41%	0.411	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-41.9	178	-174.4	176.1	-0.2	0	0	112.1	G99 E263 S264 L265 S270 M271	G99-Q267 VanDerWaalsContact CA-NE2 3.29Å; E263-Q267 WeakPolarHBondContact O-CB 3.34Å; E263-Q267 PolarHBondContact O-N 3.19Å; S264-Q267 PolarHBondContact O-N 3Å; L265-Q267 VanDerWaalsContact C-N 3.32Å; L265-Q267 PolarHBondContact O-N 3.07Å; Q267-S270 WeakPolarHBondContact O-CB 3.43Å; Q267-M271 WeakPolarHBondContact O-CG 3.49Å; Q267-M271 PolarHBondContact O-N 3.36Å
268	E	51.5	Low	45.6	Very low	24 Å²	24	51.4 Å²	51.4	11%	0.112	29%	0.291	C	S	.	.	H	α-helix	trans	-72.1	-43	178	179.3	168.1	-170.7	0	0	112.7	L54 K253 S264 L265 L266 S270 M271 M272	L54-E268 HydrophobicContact CD1-CG 4.21Å; K253-E268 WeakPolarHBondContact CD-OE1 3.36Å; K253-E268 WeakPolarHBondContact CD-OE2 3.37Å; K253-E268 WeakPolarHBondContact CE-OE1 3.47Å; K253-E268 WeakPolarHBondContact CE-OE2 3.33Å; K253-E268 IonicContact NZ-OE1 2.73Å; K253-E268 PolarHBondContact NZ-OE1 3.33Å; K253-E268 IonicContact NZ-OE2 3.16Å; K253-E268 PolarHBondContact NZ-OE2 3.29Å; S264-E268 WeakPolarHBondContact O-CB 3.4Å; S264-E268 PolarHBondContact O-N 2.78Å; L265-E268 PolarHBondContact O-N 2.65Å; L266-E268 PolarHBondContact O-N 3.15Å; E268-S270 PolarHBondContact O-N 3.11Å; E268-M271 WeakPolarHBondContact O-CB 3.18Å; E268-M271 PolarHBondContact O-N 2.8Å; E268-M271 VanDerWaalsContact O-N 3.16Å; E268-M272 HydrophobicContact CG-CE 3.83Å; E268-M272 PolarHBondContact O-N 2.93Å; E268-M272 WeakPolarHBondContact OE1-CE 3.21Å
269	A	50.4	Low	44.9	Very low	2 Å²	2	55.3 Å²	55.3	2%	0.017	30%	0.295	C	S	.	.	H	α-helix	trans	-57.6	-42.5	174.5	0	0	0	0	0	111.8	V41 I52 L54 L265 L266 M272 M273	V41-A269 HydrophobicContact CB-CB 4.46Å; V41-A269 HydrophobicContact CG1-CB 3.63Å; V41-A269 HydrophobicContact CG2-CB 3.95Å; I52-A269 HydrophobicContact CD1-CB 4.02Å; L54-A269 HydrophobicContact CD1-CB 4.43Å; L54-A269 HydrophobicContact CD2-CB 3.7Å; L265-A269 WeakPolarHBondContact O-CB 3.47Å; L265-A269 PolarHBondContact O-N 2.77Å; L266-A269 PolarHBondContact O-N 3.06Å; A269-M272 PolarHBondContact O-N 2.9Å; A269-M273 WeakPolarHBondContact O-CG 3.16Å; A269-M273 PolarHBondContact O-N 2.88Å
270	S	49.4	Very low	44.2	Very low	16 Å²	16	51.9 Å²	51.9	11%	0.112	28%	0.275	C	S	.	.	H	α-helix	trans	-58.2	-49.2	175.1	-66.9	0	0	0	0	111.6	F196 L266 Q267 E268 M272 M273 Y274	F196-S270 WeakPolarHBondContact CE1-OG 3.28Å; F196-S270 WeakPolarHBondContact CZ-OG 3.45Å; L266-S270 WeakPolarHBondContact O-CB 3.38Å; L266-S270 PolarHBondContact O-N 3.29Å; L266-S270 PolarHBondContact O-OG 3.02Å; Q267-S270 WeakPolarHBondContact O-CB 3.43Å; E268-S270 PolarHBondContact O-N 3.11Å; S270-M272 VanDerWaalsContact C-N 3.33Å; S270-M272 PolarHBondContact O-N 2.98Å; S270-M273 PolarHBondContact O-N 3.27Å; S270-Y274 WeakPolarHBondContact O-CD2 3.43Å; S270-Y274 PolarHBondContact O-N 3.35Å
271	M	50.8	Low	43.3	Very low	56 Å²	56	55.1 Å²	55.1	28%	0.276	29%	0.287	S	S	.	.	H	α-helix	trans	-54.9	-46.6	175.3	-74.4	168.2	47.5	0	0	112.5	F100 Q267 E268 Y274 V275	F100-M271 HydrophobicContact CB-CG 4.48Å; F100-M271 HydrophobicContact CD2-CG 3.36Å; F100-M271 HydrophobicContact CD2-SD 3.63Å; F100-M271 HydrophobicContact CE2-CE 3.9Å; F100-M271 HydrophobicContact CE2-CG 3.73Å; F100-M271 HydrophobicContact CE2-SD 3.5Å; F100-M271 VanDerWaalsContact CE2-SD 3.5Å; F100-M271 HydrophobicContact CG-CG 4.13Å; Q267-M271 WeakPolarHBondContact O-CG 3.49Å; Q267-M271 PolarHBondContact O-N 3.36Å; E268-M271 WeakPolarHBondContact O-CB 3.18Å; E268-M271 PolarHBondContact O-N 2.8Å; E268-M271 VanDerWaalsContact O-N 3.16Å; M271-Y274 PolarHBondContact O-N 2.94Å; M271-V275 WeakPolarHBondContact O-CG2 3.43Å; M271-V275 PolarHBondContact O-N 2.71Å
272	M	49.3	Very low	42.7	Very low	28 Å²	28	62 Å²	62	14%	0.138	32%	0.318	C	S	.	.	H	α-helix	trans	-74	-30	-174.6	-63.4	-159.2	-156.7	0	0	113.5	L54 C56 F57 E268 A269 S270 Y274 V275 C276	L54-M272 HydrophobicContact CB-CB 4.44Å; L54-M272 HydrophobicContact CB-SD 3.64Å; L54-M272 HydrophobicContact CD1-CB 4Å; L54-M272 HydrophobicContact CD1-CE 3.49Å; L54-M272 VanDerWaalsContact CD1-CE 3.49Å; L54-M272 HydrophobicContact CD1-CG 3.73Å; L54-M272 HydrophobicContact CD1-SD 3.29Å; L54-M272 WeakPolarHBondContact CD1-SD 3.21Å; L54-M272 HydrophobicContact CD2-CB 4.34Å; L54-M272 HydrophobicContact CG-CB 4.46Å; L54-M272 HydrophobicContact CG-SD 4Å; C56-M272 HydrophobicContact CB-CB 4.28Å; C56-M272 WeakPolarHBondContact CB-O 3.41Å; C56-M272 VanDerWaalsContact SG-C 3.52Å; C56-M272 WeakPolarHBondContact SG-CB 3.48Å; C56-M272 PolarHBondContact SG-O 2.82Å; F57-M272 HydrophobicContact CB-CE 4.34Å; F57-M272 HydrophobicContact CB-SD 3.53Å; F57-M272 VanDerWaalsContact CB-SD 3.53Å; F57-M272 HydrophobicContact CD2-CE 3.56Å; F57-M272 HydrophobicContact CD2-SD 3.56Å; F57-M272 VanDerWaalsContact CD2-SD 3.56Å; F57-M272 HydrophobicContact CE2-CE 4.19Å; F57-M272 HydrophobicContact CG-CE 4.16Å; F57-M272 HydrophobicContact CG-SD 3.92Å; E268-M272 HydrophobicContact CG-CE 3.83Å; E268-M272 PolarHBondContact O-N 2.93Å; E268-M272 WeakPolarHBondContact OE1-CE 3.21Å; A269-M272 PolarHBondContact O-N 2.9Å; S270-M272 VanDerWaalsContact C-N 3.33Å; S270-M272 PolarHBondContact O-N 2.98Å; M272-Y274 VanDerWaalsContact C-N 3.31Å; M272-Y274 PolarHBondContact O-N 3.3Å; M272-V275 PolarHBondContact O-N 3.13Å; M272-C276 PolarHBondContact O-N 3.17Å; M272-C276 VanDerWaalsContact O-N 3.15Å
273	M	45.6	Very low	41.8	Very low	66 Å²	66	70 Å²	70	33%	0.325	35%	0.352	S	S	.	.	H	α-helix	trans	-60.1	-42.1	171.7	-75.7	-168.1	-70.4	0	0	111.7	L40 V41 A269 S270 G277	L40-M273 HydrophobicContact CB-CG 3.96Å; L40-M273 HydrophobicContact CD1-CG 4.43Å; V41-M273 HydrophobicContact CG2-CE 3.98Å; V41-M273 HydrophobicContact CG2-CG 3.63Å; V41-M273 HydrophobicContact CG2-SD 3.52Å; V41-M273 VanDerWaalsContact CG2-SD 3.52Å; A269-M273 WeakPolarHBondContact O-CG 3.16Å; A269-M273 PolarHBondContact O-N 2.88Å; S270-M273 PolarHBondContact O-N 3.27Å; M273-G277 PolarHBondContact O-N 2.86Å
274	Y	46.3	Very low	40.9	Very low	55 Å²	55	75 Å²	75	22%	0.216	37%	0.372	C	S	.	.	H	α-helix	trans	-67	-45.1	178.3	-74.5	-66.3	0	0	0	112.8	L193 F196 S270 M271 M272 C276 G277 A278	L193-Y274 HydrophobicContact CD1-CE2 3.89Å; L193-Y274 WeakPolarHBondContact CD1-OH 3.41Å; L193-Y274 WeakPolarHBondContact CD2-OH 3.34Å; L193-Y274 WeakPolarHBondContact CG-OH 3.47Å; F196-Y274 AromaticContact CE2-CE2 3.78Å; F196-Y274 HydrophobicContact CE2-CE2 3.78Å; F196-Y274 AromaticContact CE2-CZ 3.85Å; F196-Y274 WeakPolarHBondContact CE2-OH 3.24Å; F196-Y274 AromaticContact CZ-CE2 3.6Å; F196-Y274 HydrophobicContact CZ-CE2 3.6Å; S270-Y274 WeakPolarHBondContact O-CD2 3.43Å; S270-Y274 PolarHBondContact O-N 3.35Å; M271-Y274 PolarHBondContact O-N 2.94Å; M272-Y274 VanDerWaalsContact C-N 3.31Å; M272-Y274 PolarHBondContact O-N 3.3Å; Y274-C276 VanDerWaalsContact C-N 3.32Å; Y274-C276 PolarHBondContact O-N 3.22Å; Y274-G277 PolarHBondContact O-N 3.17Å; Y274-A278 PolarHBondContact O-N 3.39Å
275	V	42.8	Very low	40	Very low	85 Å²	85	88.9 Å²	88.9	52%	0.515	42%	0.419	S	S	.	.	H	α-helix	trans	-65.1	-34.5	-177.8	176.5	0	0	0	0	112.3	M271 M272	M271-V275 WeakPolarHBondContact O-CG2 3.43Å; M271-V275 PolarHBondContact O-N 2.71Å; M272-V275 PolarHBondContact O-N 3.13Å
276	C	37.6	Very low	39.5	Very low	13 Å²	13	93.2 Å²	93.2	9%	0.088	44%	0.439	C	S	.	.	H	α-helix	trans	-86.1	-29.3	176.5	-96	0	0	0	0	114.3	C56 M272 Y274 A278 K279 M280	C56-C276 WeakPolarHBondContact CA-SG 3.05Å; C56-C276 HydrophobicContact CB-CB 3.29Å; C56-C276 WeakPolarHBondContact CB-SG 3.18Å; C56-C276 PolarHBondContact O-SG 3.21Å; M272-C276 PolarHBondContact O-N 3.17Å; M272-C276 VanDerWaalsContact O-N 3.15Å; Y274-C276 VanDerWaalsContact C-N 3.32Å; Y274-C276 PolarHBondContact O-N 3.22Å; C276-A278 VanDerWaalsContact C-N 3.32Å; C276-A278 PolarHBondContact O-N 2.82Å; C276-K279 PolarHBondContact O-N 2.71Å; C276-M280 WeakPolarHBondContact O-CB 3.18Å; C276-M280 WeakPolarHBondContact O-CG 3.42Å; C276-M280 PolarHBondContact O-N 3.32Å
277	G	31.7	Very low	39	Very low	34 Å²	34	95.5 Å²	95.5	35%	0.351	45%	0.449	S	S	.	.	H	α-helix	trans	-59.8	-42.4	173.5	0	0	0	0	0	112.3	M273 Y274 K279	M273-G277 PolarHBondContact O-N 2.86Å; Y274-G277 PolarHBondContact O-N 3.17Å; G277-K279 PolarHBondContact O-N 3.42Å
278	A	31.3	Very low	38.3	Very low	47 Å²	47	95.9 Å²	95.9	39%	0.388	45%	0.451	S	S	.	.	H	α-helix	trans	-66.3	-33.5	178	0	0	0	0	0	113.3	Y274 C276	Y274-A278 PolarHBondContact O-N 3.39Å; C276-A278 VanDerWaalsContact C-N 3.32Å; C276-A278 PolarHBondContact O-N 2.82Å
279	K	31.9	Very low	37.5	Very low	129 Å²	129	100.2 Å²	100.2	56%	0.561	47%	0.471	S	S	*	.	H	α-helix	trans	-90.4	-18.5	-177.6	-73.6	-178.9	178	169.8	0	115	C276 G277 F281	C276-K279 PolarHBondContact O-N 2.71Å; G277-K279 PolarHBondContact O-N 3.42Å; K279-F281 VanDerWaalsContact C-N 3.34Å
280	M	27.7	Very low	36.7	Very low	89 Å²	89	106.3 Å²	106.3	44%	0.438	50%	0.499	S	S	.	.	H	α-helix	trans	-74.1	-23.2	177	-87.9	-87.9	-140.8	0	0	113.1	V35 L59 C276	V35-M280 HydrophobicContact CB-CE 4.49Å; V35-M280 HydrophobicContact CG1-CE 3.94Å; L59-M280 HydrophobicContact CD1-CE 4.13Å; C276-M280 WeakPolarHBondContact O-CB 3.18Å; C276-M280 WeakPolarHBondContact O-CG 3.42Å; C276-M280 PolarHBondContact O-N 3.32Å
281	F	28.7	Very low	35.8	Very low	187 Å²	187	112.3 Å²	112.3	82%	0.82	53%	0.525	S	S	*	.	S	Bend	trans	-93.6	-3.2	-177.1	-88.7	-86.7	0	0	0	115.3	K279 K283	K279-F281 VanDerWaalsContact C-N 3.34Å; F281-K283 VanDerWaalsContact C-N 3.31Å; F281-K283 PolarHBondContact O-N 2.84Å
282	E	30.9	Very low	34.8	Very low	168 Å²	168	116.4 Å²	116.4	79%	0.785	54%	0.543	S	S	*	.	S	Bend	trans	-91.2	27.5	-174.4	-153.5	159	-164.2	0	0	114.5
283	K	26.1	Very low	33.7	Very low	201 Å²	201	123.2 Å²	123.2	87%	0.874	57%	0.574	S	S	*	*			trans	-141.9	60.7	174.2	-152.2	-177.3	-176.7	-170	0	112.7	F281	F281-K283 VanDerWaalsContact C-N 3.31Å; F281-K283 PolarHBondContact O-N 2.84Å
284	K	27.9	Very low	32.7	Very low	201 Å²	201	127.9 Å²	127.9	87%	0.874	60%	0.595	S	S	*	*			trans	-151.4	78.5	159.5	-90.5	-168.4	178.6	176.7	0	110.2
285	R	29.2	Very low	31.4	Very low	326 Å²	326	134.5 Å²	134.5	100%	1.23	63%	0.629	S	S	*	*			trans	-173.2	0	144.6	-104.4	174.9	-171.8	-168.5	3	109.5

Retrieved 285 of 285 residues in 205.7 ms (Link to these results)

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