A0A077ZF01_TRITR Loading...

Heat shock protein 75 kDa, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZF01, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 630 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	32	Very low	36	Very low	233 Å²	233	160.4 Å²	160.4	100%	1.148	81%	0.811	S	S	*	*				0	89.2	0	-105.3	165.1	61.8	0	0	106.8
2	V	28.7	Very low	36.3	Very low	135 Å²	135	153.5 Å²	153.5	82%	0.818	81%	0.811	S	S	*	*				56.2	104.2	110.6	-171.8	0	0	0	0	109.4
3	V	34.8	Very low	36.9	Very low	123 Å²	123	149.7 Å²	149.7	75%	0.745	80%	0.804	S	S	*	*				-151.5	124.4	83.8	-165.2	0	0	0	0	107.8
4	G	30.5	Very low	37	Very low	67 Å²	67	150 Å²	150	69%	0.691	80%	0.804	S	S	*	*				67.5	126.5	76.1	0	0	0	0	0	110.3
5	R	36	Very low	37.7	Very low	189 Å²	189	152.7 Å²	152.7	71%	0.713	81%	0.81	S	S	*	*			cis	-163.2	132.9	41	-68.2	176.1	-176.8	-165.2	0.5	109.9
6	H	38	Very low	38.2	Very low	194 Å²	194	150.8 Å²	150.8	90%	0.898	82%	0.822	S	S	*	*			trans	-76.6	129.5	145.5	-87.3	-4	0	0	0	107.7
7	W	36.1	Very low	39	Very low	197 Å²	197	144.9 Å²	144.9	75%	0.746	80%	0.804	S	S	*	*			trans	-107.6	105.3	165.1	-84.7	95.2	0	0	0	108.1
8	T	38.7	Very low	39.3	Very low	133 Å²	133	150.4 Å²	150.4	82%	0.816	81%	0.811	S	S	*	*			trans	-118.4	104.1	155.6	43.7	0	0	0	0	106.4
9	S	41	Very low	40.2	Very low	96 Å²	96	155.5 Å²	155.5	67%	0.671	82%	0.817	S	S	*	*			trans	-97.8	121.5	167.4	174.9	0	0	0	0	108
10	H	40.4	Very low	41.4	Very low	168 Å²	168	154.7 Å²	154.7	78%	0.778	81%	0.812	S	S	*	*			trans	-108.1	147.6	161.8	-90	2.4	0	0	0	108.4
11	Y	40	Very low	42.7	Very low	229 Å²	229	154.9 Å²	154.9	90%	0.898	81%	0.809	S	S	*	*			trans	86	119.7	169.4	-68.9	-84.4	0	0	0	118.6
12	G	40.1	Very low	44.5	Very low	78 Å²	78	149.7 Å²	149.7	80%	0.804	79%	0.785	S	S	*	*			trans	160.1	83.6	165.7	0	0	0	0	0	111.8
13	S	43.6	Very low	46.8	Very low	104 Å²	104	149.9 Å²	149.9	73%	0.727	78%	0.782	S	S	*	*			trans	-60.7	149.6	178.6	59.8	0	0	0	0	113.9
14	L	38.5	Very low	49	Very low	154 Å²	154	151.5 Å²	151.5	81%	0.806	78%	0.781	S	S	*	*			trans	75.1	78.1	152.2	-64.6	153.2	0	0	0	117.5
15	H	47	Very low	51.3	Low	191 Å²	191	157 Å²	157	88%	0.884	79%	0.788	S	S	*	*				-157.4	118.5	124.7	-87.3	-24.2	0	0	0	108.8	G17	H15-G17 PolarHBondContact O-N 2.76Å
16	A	46.6	Very low	53.4	Low	121 Å²	121	158.4 Å²	158.4	100%	1	80%	0.8	S	S	*	*			trans	-73.5	67.6	173.5	0	0	0	0	0	110.1
17	G	50.7	Low	55.2	Low	51 Å²	51	160.8 Å²	160.8	53%	0.526	80%	0.801	S	S	.	*			trans	-99.1	111.9	161	0	0	0	0	0	107.9	H15 W19	H15-G17 PolarHBondContact O-N 2.76Å; G17-W19 PolarHBondContact O-N 3.29Å
18	R	45.3	Very low	57	Low	244 Å²	244	154.7 Å²	154.7	92%	0.921	79%	0.793	S	S	*	*			trans	-60.6	105	174.3	-132.3	-178.5	-167.4	-175	2.9	107.8	I20	R18-I20 PolarHBondContact O-N 2.08Å; R18-I20 VanDerWaalsContact O-N 3.14Å
19	W	56.9	Low	58.7	Low	248 Å²	248	154.3 Å²	154.3	94%	0.939	78%	0.782	S	S	*	*			trans	-65.3	112	165.1	-70.3	92.9	0	0	0	107.2	G17 Q21	G17-W19 PolarHBondContact O-N 3.29Å; W19-Q21 PolarHBondContact O-N 3.19Å
20	I	62.7	Low	60.3	Low	138 Å²	138	153.7 Å²	153.7	71%	0.708	77%	0.774	S	S	*	*			trans	-80	98.7	167	-56.3	174.5	0	0	0	105.2	R18 L22	R18-I20 PolarHBondContact O-N 2.08Å; R18-I20 VanDerWaalsContact O-N 3.14Å; I20-L22 HydrophobicContact CG2-CD2 4.17Å; I20-L22 HydrophobicContact CG2-CG 4.07Å; I20-L22 PolarHBondContact O-N 2.71Å
21	Q	68.3	Low	61.8	Low	160 Å²	160	153.4 Å²	153.4	75%	0.748	77%	0.766	S	S	*	*			trans	-73.7	116.3	168.1	-170.4	173.1	-24.9	0	0	107.4	W19 D23	W19-Q21 PolarHBondContact O-N 3.19Å; Q21-D23 PolarHBondContact NE2-OD1 3.34Å
22	L	70.6	Confident	63.6	Low	123 Å²	123	147.8 Å²	147.8	64%	0.644	75%	0.749	S	S	*	*			trans	-102.3	113	171.7	-70.7	167.2	0	0	0	107.5	I20	I20-L22 HydrophobicContact CG2-CD2 4.17Å; I20-L22 HydrophobicContact CG2-CG 4.07Å; I20-L22 PolarHBondContact O-N 2.71Å
23	D	77.8	Confident	65.4	Low	140 Å²	140	147.2 Å²	147.2	75%	0.749	73%	0.727	S	S	*	*			trans	-77.8	130.6	169.2	-64.7	-32.7	0	0	0	108.4	Q21	Q21-D23 PolarHBondContact NE2-OD1 3.34Å
24	H	80.4	Confident	66.9	Low	157 Å²	157	143.3 Å²	143.3	73%	0.727	70%	0.698	S	S	*	*			trans	-117.8	131.3	175.6	-66	-76.8	0	0	0	109
25	E	79.9	Confident	68.9	Low	181 Å²	181	139.5 Å²	139.5	85%	0.846	68%	0.679	S	S	*	*			trans	-74.6	142.3	173.4	-65.6	-179.4	168.1	0	0	110.7	R27	E25-R27 PolarHBondContact O-N 3.43Å
26	F	79.9	Confident	70.5	Confident	219 Å²	219	134.5 Å²	134.5	96%	0.961	66%	0.658	S	S	*	*			trans	-62	132.7	169.9	-72.6	-82.5	0	0	0	109.6
27	R	73.9	Confident	72	Confident	244 Å²	244	129.2 Å²	129.2	92%	0.921	61%	0.613	S	S	*	*			trans	-112.1	148.3	172.6	-61.8	-178.7	-177.6	-179.8	-0.9	108.9	E25	E25-R27 PolarHBondContact O-N 3.43Å
28	A	74.6	Confident	73.2	Confident	70 Å²	70	127.9 Å²	127.9	58%	0.579	60%	0.597	S	S	*	*			trans	-120.7	141.2	173	0	0	0	0	0	109.8	T30 L33	A28-T30 PolarHBondContact O-N 3.46Å; A28-L33 HydrophobicContact CB-CD1 3.69Å
29	E	75.2	Confident	74.7	Confident	124 Å²	124	125.2 Å²	125.2	58%	0.579	59%	0.587	S	S	*	*			trans	-83.5	99.1	172.2	-170.8	170	175.6	0	0	108.8	R31 M32 L33	E29-R31 PolarHBondContact O-N 3.15Å; E29-R31 VanDerWaalsContact O-N 3.15Å; E29-M32 HydrophobicContact CB-CB 4.25Å; E29-M32 HydrophobicContact CB-CG 4.19Å; E29-M32 HydrophobicContact CB-SD 4.4Å; E29-M32 HydrophobicContact CG-CB 4.39Å; E29-M32 HydrophobicContact CG-CG 3.97Å; E29-M32 HydrophobicContact CG-SD 4.5Å; E29-M32 PolarHBondContact O-N 3.36Å; E29-L33 PolarHBondContact O-N 3.02Å; E29-L33 VanDerWaalsContact O-N 3.07Å
30	T	73	Confident	75.8	Confident	83 Å²	83	117.9 Å²	117.9	51%	0.509	57%	0.573	S	S	.	*	H	α-helix	trans	-51.1	-40.4	-174.9	-50.5	0	0	0	0	112.2	A28 L33 M34 I106	A28-T30 PolarHBondContact O-N 3.46Å; T30-L33 PolarHBondContact O-N 2.96Å; T30-M34 WeakPolarHBondContact O-CG 3.22Å; T30-M34 PolarHBondContact O-N 3.45Å; T30-I106 HydrophobicContact CG2-CD1 3.64Å; T30-I106 HydrophobicContact CG2-CG1 4.45Å
31	R	73.6	Confident	76.6	Confident	162 Å²	162	112.7 Å²	112.7	61%	0.611	55%	0.546	S	S	*	.	H	α-helix	trans	-63	-43.3	178.8	-173.3	176	179.3	165	-1.8	112.7	E29 M34 D35 E165	E29-R31 PolarHBondContact O-N 3.15Å; E29-R31 VanDerWaalsContact O-N 3.15Å; R31-M34 PolarHBondContact O-N 2.95Å; R31-D35 PolarHBondContact O-N 3.03Å; R31-E165 IonicContact NH1-OE1 3.93Å; R31-E165 PolarHBondContact NH1-OE1 3.47Å
32	M	77.2	Confident	77.3	Confident	111 Å²	111	105.7 Å²	105.7	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-66.8	-38.3	175.9	-69.9	-169.7	74.7	0	0	111.5	E29 D35 I36	E29-M32 HydrophobicContact CB-CB 4.25Å; E29-M32 HydrophobicContact CB-CG 4.19Å; E29-M32 HydrophobicContact CB-SD 4.4Å; E29-M32 HydrophobicContact CG-CB 4.39Å; E29-M32 HydrophobicContact CG-CG 3.97Å; E29-M32 HydrophobicContact CG-SD 4.5Å; E29-M32 PolarHBondContact O-N 3.36Å; M32-D35 PolarHBondContact O-N 2.96Å; M32-I36 VanDerWaalsContact O-CG1 3.26Å; M32-I36 WeakPolarHBondContact O-CG1 3.47Å; M32-I36 PolarHBondContact O-N 3.1Å
33	L	77.8	Confident	77.9	Confident	66 Å²	66	104.1 Å²	104.1	35%	0.346	51%	0.513	S	S	.	.	H	α-helix	trans	-62.7	-44.1	175.4	-73.3	178	0	0	0	111.9	A28 E29 T30 D35 I36 V37 I106	A28-L33 HydrophobicContact CB-CD1 3.69Å; E29-L33 PolarHBondContact O-N 3.02Å; E29-L33 VanDerWaalsContact O-N 3.07Å; T30-L33 PolarHBondContact O-N 2.96Å; L33-D35 VanDerWaalsContact C-N 3.33Å; L33-D35 PolarHBondContact O-N 3.01Å; L33-I36 PolarHBondContact O-N 2.84Å; L33-V37 WeakPolarHBondContact O-CG2 3.28Å; L33-V37 PolarHBondContact O-N 3.21Å; L33-I106 HydrophobicContact CB-CD1 3.95Å
34	M	76	Confident	78.3	Confident	22 Å²	22	102.3 Å²	102.3	11%	0.108	50%	0.5	C	S	.	.	H	α-helix	trans	-59.5	-44	174.4	-74.2	-61.5	-69.2	0	0	111.6	T30 R31 I36 V37 A38 I106 Y134 F137	T30-M34 WeakPolarHBondContact O-CG 3.22Å; T30-M34 PolarHBondContact O-N 3.45Å; R31-M34 PolarHBondContact O-N 2.95Å; M34-I36 PolarHBondContact O-N 3.35Å; M34-V37 PolarHBondContact O-N 3.29Å; M34-A38 VanDerWaalsContact O-CB 3.25Å; M34-A38 WeakPolarHBondContact O-CB 3.29Å; M34-A38 PolarHBondContact O-N 2.78Å; M34-I106 HydrophobicContact CG-CD1 3.72Å; M34-I106 HydrophobicContact SD-CD1 3.68Å; M34-I106 HydrophobicContact SD-CG1 4.25Å; M34-Y134 HydrophobicContact CE-CD1 3.58Å; M34-Y134 HydrophobicContact CE-CE1 4.3Å; M34-Y134 HydrophobicContact CE-CG 4.15Å; M34-Y134 HydrophobicContact SD-CD1 3.5Å; M34-Y134 VanDerWaalsContact SD-CD1 3.5Å; M34-Y134 HydrophobicContact SD-CD2 4.48Å; M34-Y134 HydrophobicContact SD-CE1 3.93Å; M34-Y134 HydrophobicContact SD-CG 3.8Å; M34-F137 HydrophobicContact CE-CD2 3.52Å; M34-F137 HydrophobicContact CE-CE2 3.73Å; M34-F137 HydrophobicContact CE-CG 4.28Å
35	D	78.8	Confident	78.8	Confident	75 Å²	75	99.5 Å²	99.5	40%	0.401	49%	0.485	S	S	.	.	H	α-helix	trans	-64.7	-40	178.3	-160.5	56.8	0	0	0	112.1	R31 M32 L33 A38 R39	R31-D35 PolarHBondContact O-N 3.03Å; M32-D35 PolarHBondContact O-N 2.96Å; L33-D35 VanDerWaalsContact C-N 3.33Å; L33-D35 PolarHBondContact O-N 3.01Å; D35-A38 PolarHBondContact O-N 3.34Å; D35-R39 VanDerWaalsContact O-CB 3.3Å; D35-R39 WeakPolarHBondContact O-CB 3.25Å; D35-R39 WeakPolarHBondContact O-CG 3.28Å; D35-R39 PolarHBondContact O-N 3.2Å; D35-R39 VanDerWaalsContact OD1-CD 3.32Å; D35-R39 WeakPolarHBondContact OD1-CD 3.44Å; D35-R39 IonicContact OD1-CZ 3.66Å; D35-R39 IonicContact OD1-NE 2.83Å; D35-R39 PolarHBondContact OD1-NE 3.16Å; D35-R39 IonicContact OD1-NH2 3.61Å; D35-R39 IonicContact OD2-NE 3.41Å
36	I	81.9	Confident	79.4	Confident	86 Å²	86	91.7 Å²	91.7	44%	0.441	45%	0.449	S	S	.	.	H	α-helix	trans	-61.8	-46.3	174.4	-70.5	165	0	0	0	110.9	M32 L33 M34 A38 S40 L41	M32-I36 VanDerWaalsContact O-CG1 3.26Å; M32-I36 WeakPolarHBondContact O-CG1 3.47Å; M32-I36 PolarHBondContact O-N 3.1Å; L33-I36 PolarHBondContact O-N 2.84Å; M34-I36 PolarHBondContact O-N 3.35Å; I36-A38 VanDerWaalsContact C-N 3.33Å; I36-A38 PolarHBondContact O-N 3.17Å; I36-S40 CarbonylContact O-C 3.6Å; I36-S40 WeakPolarHBondContact O-CA 3.39Å; I36-S40 PolarHBondContact O-N 2.92Å; I36-L41 PolarHBondContact O-N 3.06Å
37	V	77.7	Confident	79.9	Confident	9 Å²	9	81.2 Å²	81.2	6%	0.055	40%	0.403	C	S	.	.	H	α-helix	trans	-65	-39.7	178.9	176.1	0	0	0	0	111.1	L33 M34 L41 Y42 V131	L33-V37 WeakPolarHBondContact O-CG2 3.28Å; L33-V37 PolarHBondContact O-N 3.21Å; M34-V37 PolarHBondContact O-N 3.29Å; V37-L41 HydrophobicContact CG1-CD2 4.17Å; V37-L41 HydrophobicContact CG2-CD2 4.21Å; V37-Y42 HydrophobicContact CG1-CE2 4.44Å; V37-V131 HydrophobicContact CG2-CB 4.48Å
38	A	75	Confident	80.8	Confident	23 Å²	23	69.6 Å²	69.6	19%	0.19	36%	0.359	C	S	.	.	H	α-helix	trans	-79.9	-18	-178.2	0	0	0	0	0	114.7	M34 D35 I36 F137 M138	M34-A38 VanDerWaalsContact O-CB 3.25Å; M34-A38 WeakPolarHBondContact O-CB 3.29Å; M34-A38 PolarHBondContact O-N 2.78Å; D35-A38 PolarHBondContact O-N 3.34Å; I36-A38 VanDerWaalsContact C-N 3.33Å; I36-A38 PolarHBondContact O-N 3.17Å; A38-F137 HydrophobicContact CB-CB 4.46Å; A38-M138 VanDerWaalsContact O-CG 3.29Å; A38-M138 WeakPolarHBondContact O-CG 3.36Å
39	R	77.3	Confident	81.8	Confident	189 Å²	189	66.3 Å²	66.3	71%	0.713	33%	0.332	S	S	*	.	H	α-helix	trans	-124.6	-24.9	-175.4	-60.5	-171.8	-171.1	-151.6	-2.1	115.5	D35	D35-R39 VanDerWaalsContact O-CB 3.3Å; D35-R39 WeakPolarHBondContact O-CB 3.25Å; D35-R39 WeakPolarHBondContact O-CG 3.28Å; D35-R39 PolarHBondContact O-N 3.2Å; D35-R39 VanDerWaalsContact OD1-CD 3.32Å; D35-R39 WeakPolarHBondContact OD1-CD 3.44Å; D35-R39 IonicContact OD1-CZ 3.66Å; D35-R39 IonicContact OD1-NE 2.83Å; D35-R39 PolarHBondContact OD1-NE 3.16Å; D35-R39 IonicContact OD1-NH2 3.61Å; D35-R39 IonicContact OD2-NE 3.41Å
40	S	80.1	Confident	82.6	Confident	93 Å²	93	60.5 Å²	60.5	65%	0.65	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130	-17	-164.9	-57.6	0	0	0	0	114.4	I36	I36-S40 CarbonylContact O-C 3.6Å; I36-S40 WeakPolarHBondContact O-CA 3.39Å; I36-S40 PolarHBondContact O-N 2.92Å
41	L	80	Confident	83.5	Confident	29 Å²	29	56.8 Å²	56.8	15%	0.152	28%	0.281	C	S	.	.	S	Bend	trans	-75.5	-40	-176.6	-176.5	60.4	0	0	0	113	I36 V37 V131 L321 S322	I36-L41 PolarHBondContact O-N 3.06Å; V37-L41 HydrophobicContact CG1-CD2 4.17Å; V37-L41 HydrophobicContact CG2-CD2 4.21Å; L41-V131 HydrophobicContact CD2-CG2 3.97Å; L41-L321 HydrophobicContact CD1-CB 3.87Å; L41-L321 HydrophobicContact CD1-CD2 3.58Å; L41-L321 HydrophobicContact CD1-CG 3.7Å; L41-L321 HydrophobicContact CD2-CD2 4.04Å; L41-L321 HydrophobicContact CD2-CG 3.97Å; L41-L321 HydrophobicContact CG-CD2 4.49Å; L41-L321 HydrophobicContact CG-CG 4.46Å; L41-S322 WeakPolarHBondContact O-CB 3.23Å
42	Y	82.2	Confident	84.5	Confident	14 Å²	14	49.1 Å²	49.1	6%	0.055	25%	0.252	C	S	.	.			trans	-109.2	135.4	-177.2	-58.5	-77.8	0	0	0	110.8	V37 H44 V47 E51 S135 M138	V37-Y42 HydrophobicContact CG1-CE2 4.44Å; Y42-H44 VanDerWaalsContact C-N 3.31Å; Y42-V47 HydrophobicContact CD1-CB 4.17Å; Y42-V47 HydrophobicContact CD1-CG1 3.43Å; Y42-V47 VanDerWaalsContact CD1-CG1 3.43Å; Y42-V47 HydrophobicContact CE1-CG1 3.73Å; Y42-V47 HydrophobicContact CG-CG1 4.18Å; Y42-E51 HydrophobicContact CE1-CG 4.34Å; Y42-S135 VanDerWaalsContact CE2-CB 3.43Å; Y42-M138 HydrophobicContact CD2-CE 3.62Å; Y42-M138 HydrophobicContact CD2-SD 3.87Å; Y42-M138 HydrophobicContact CE2-CE 4.44Å; Y42-M138 HydrophobicContact CG-CE 3.96Å; Y42-M138 HydrophobicContact CG-SD 4.31Å
43	S	83.1	Confident	85.3	Confident	90 Å²	90	43.8 Å²	43.8	63%	0.629	23%	0.226	S	C	*	.	S	Bend	trans	-74.8	-26.1	179.1	-48.5	0	0	0	0	112.1	E324	S43-E324 PolarHBondContact OG-OE2 3.04Å
44	H	87.1	Confident	85.9	Confident	102 Å²	102	40.7 Å²	40.7	47%	0.472	21%	0.21	S	C	.	.			trans	-129.4	132.5	-176.4	-59.6	-67.7	0	0	0	110.8	Y42 E46 V47	Y42-H44 VanDerWaalsContact C-N 3.31Å; H44-E46 HydrophobicContact CB-CG 4.16Å; H44-E46 PolarHBondContact O-N 3.18Å; H44-V47 HydrophobicContact CB-CG2 4.15Å; H44-V47 WeakPolarHBondContact O-CB 3.27Å; H44-V47 WeakPolarHBondContact O-CG2 3.3Å; H44-V47 PolarHBondContact O-N 2.98Å
45	K	91.3	Very high	86.8	Confident	97 Å²	97	42 Å²	42	42%	0.422	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-44.7	-178.9	-67.7	-177.1	-178.3	174	0	111.9	V47 F48 M138 I139 E189 F192	K45-V47 PolarHBondContact O-N 3.22Å; K45-F48 VanDerWaalsContact O-CD1 3.23Å; K45-F48 WeakPolarHBondContact O-CD1 3.49Å; K45-F48 PolarHBondContact O-N 3.19Å; K45-F48 VanDerWaalsContact O-N 3.08Å; K45-M138 WeakPolarHBondContact O-CE 3.35Å; K45-I139 HydrophobicContact CB-CG2 4.05Å; K45-I139 HydrophobicContact CD-CG2 4.34Å; K45-E189 WeakPolarHBondContact CD-OE2 3.36Å; K45-E189 IonicContact NZ-OE1 2.76Å; K45-E189 PolarHBondContact NZ-OE1 2.91Å; K45-E189 IonicContact NZ-OE2 2.6Å; K45-E189 PolarHBondContact NZ-OE2 3Å; K45-F192 HydrophobicContact CB-CE2 4.27Å; K45-F192 HydrophobicContact CB-CZ 4.08Å
46	E	92.6	Very high	87.5	Confident	17 Å²	17	38.6 Å²	38.6	8%	0.079	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-19.2	-177.7	63	177.9	-150.6	0	0	115.4	H44 F48 V49 F192 R197 V201 K204 Y205	H44-E46 HydrophobicContact CB-CG 4.16Å; H44-E46 PolarHBondContact O-N 3.18Å; E46-F48 PolarHBondContact O-N 3.1Å; E46-V49 PolarHBondContact O-N 3.4Å; E46-F192 HydrophobicContact CB-CE1 4.01Å; E46-F192 HydrophobicContact CB-CZ 4.39Å; E46-R197 IonicContact OE2-CZ 3.58Å; E46-R197 IonicContact OE2-NH1 2.72Å; E46-R197 PolarHBondContact OE2-NH1 2.94Å; E46-R197 IonicContact OE2-NH2 2.69Å; E46-R197 PolarHBondContact OE2-NH2 3Å; E46-V201 HydrophobicContact CB-CG1 4.14Å; E46-V201 HydrophobicContact CB-CG2 3.79Å; E46-V201 WeakPolarHBondContact O-CG1 3.39Å; E46-K204 IonicContact OE1-NZ 3.58Å; E46-K204 PolarHBondContact OE1-NZ 2.88Å; E46-Y205 HydrophobicContact CG-CE2 3.94Å; E46-Y205 VanDerWaalsContact OE1-CE2 3.26Å; E46-Y205 WeakPolarHBondContact OE1-CE2 3.46Å; E46-Y205 PolarHBondContact OE1-OH 2.99Å
47	V	89.7	Confident	88	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-24.7	176.5	174.2	0	0	0	0	112.6	Y42 H44 K45 V49 R50 E51	Y42-V47 HydrophobicContact CD1-CB 4.17Å; Y42-V47 HydrophobicContact CD1-CG1 3.43Å; Y42-V47 VanDerWaalsContact CD1-CG1 3.43Å; Y42-V47 HydrophobicContact CE1-CG1 3.73Å; Y42-V47 HydrophobicContact CG-CG1 4.18Å; H44-V47 HydrophobicContact CB-CG2 4.15Å; H44-V47 WeakPolarHBondContact O-CB 3.27Å; H44-V47 WeakPolarHBondContact O-CG2 3.3Å; H44-V47 PolarHBondContact O-N 2.98Å; K45-V47 PolarHBondContact O-N 3.22Å; V47-V49 PolarHBondContact O-N 2.94Å; V47-R50 WeakPolarHBondContact O-CA 3.25Å; V47-R50 VanDerWaalsContact O-CB 3.26Å; V47-R50 WeakPolarHBondContact O-CB 3.38Å; V47-R50 PolarHBondContact O-N 2.9Å; V47-E51 HydrophobicContact CG1-CG 4.36Å; V47-E51 PolarHBondContact O-N 3.11Å; V47-E51 VanDerWaalsContact O-N 3.1Å
48	F	93.1	Very high	88.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.7	-36	177.5	86.7	-86.2	0	0	0	112.4	K45 E46 R50 E51 L52 L85 S135 A136 M138 I139 F192	K45-F48 VanDerWaalsContact O-CD1 3.23Å; K45-F48 WeakPolarHBondContact O-CD1 3.49Å; K45-F48 PolarHBondContact O-N 3.19Å; K45-F48 VanDerWaalsContact O-N 3.08Å; E46-F48 PolarHBondContact O-N 3.1Å; F48-R50 VanDerWaalsContact C-N 3.31Å; F48-R50 PolarHBondContact O-N 3.36Å; F48-E51 PolarHBondContact O-N 2.82Å; F48-L52 HydrophobicContact CD2-CD1 3.97Å; F48-L52 HydrophobicContact CE2-CD1 4.26Å; F48-L52 WeakPolarHBondContact O-CG 3.23Å; F48-L52 PolarHBondContact O-N 3.27Å; F48-L85 HydrophobicContact CE2-CD2 3.41Å; F48-L85 VanDerWaalsContact CE2-CD2 3.41Å; F48-L85 HydrophobicContact CZ-CD2 3.38Å; F48-S135 WeakPolarHBondContact CA-OG 3.06Å; F48-S135 WeakPolarHBondContact CB-O 3.31Å; F48-A136 HydrophobicContact CD2-CB 4.46Å; F48-M138 HydrophobicContact CB-CE 4.13Å; F48-I139 HydrophobicContact CD1-CG1 3.7Å; F48-I139 HydrophobicContact CD1-CG2 4.03Å; F48-I139 HydrophobicContact CD2-CD1 4.05Å; F48-I139 HydrophobicContact CD2-CG1 3.89Å; F48-I139 HydrophobicContact CE1-CB 4.37Å; F48-I139 HydrophobicContact CE1-CD1 4.18Å; F48-I139 HydrophobicContact CE1-CG1 3.65Å; F48-I139 HydrophobicContact CE1-CG2 4.06Å; F48-I139 HydrophobicContact CE2-CD1 3.63Å; F48-I139 HydrophobicContact CE2-CG1 3.83Å; F48-I139 HydrophobicContact CG-CD1 4.48Å; F48-I139 HydrophobicContact CG-CG1 3.82Å; F48-I139 HydrophobicContact CZ-CD1 3.7Å; F48-I139 HydrophobicContact CZ-CG1 3.7Å; F48-F192 HydrophobicContact CE1-CB 4.37Å; F48-F192 AromaticContact CE1-CD1 3.61Å; F48-F192 HydrophobicContact CE1-CD1 3.61Å; F48-F192 HydrophobicContact CE1-CD2 4.17Å; F48-F192 AromaticContact CE1-CE1 3.86Å; F48-F192 HydrophobicContact CE1-CE1 3.86Å; F48-F192 HydrophobicContact CE1-CE2 4.4Å; F48-F192 AromaticContact CE1-CG 3.77Å; F48-F192 HydrophobicContact CE1-CG 3.77Å; F48-F192 HydrophobicContact CE1-CZ 4.26Å; F48-F192 HydrophobicContact CZ-CB 4.17Å; F48-F192 HydrophobicContact CZ-CD1 4.11Å; F48-F192 HydrophobicContact CZ-CG 4.08Å
49	V	94.8	Very high	89.5	Confident	1 Å²	1	34 Å²	34	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-41.3	176.3	-178.3	0	0	0	0	110.4	E46 V47 E51 L52 V53 L85 I198 V201 L202	E46-V49 PolarHBondContact O-N 3.4Å; V47-V49 PolarHBondContact O-N 2.94Å; V49-E51 VanDerWaalsContact C-N 3.35Å; V49-E51 PolarHBondContact O-N 3.46Å; V49-L52 PolarHBondContact O-N 3.2Å; V49-V53 HydrophobicContact CG1-CG2 4.26Å; V49-V53 WeakPolarHBondContact O-CB 3.34Å; V49-V53 VanDerWaalsContact O-CG2 3.24Å; V49-V53 WeakPolarHBondContact O-CG2 3.32Å; V49-V53 PolarHBondContact O-N 3.03Å; V49-L85 HydrophobicContact CG2-CD2 4.46Å; V49-I198 HydrophobicContact CG2-CD1 3.98Å; V49-V201 HydrophobicContact CB-CG1 3.7Å; V49-V201 HydrophobicContact CG1-CG1 4.06Å; V49-V201 HydrophobicContact CG2-CG1 3.98Å; V49-L202 HydrophobicContact CG1-CD2 3.76Å; V49-L202 HydrophobicContact CG1-CG 4.36Å
50	R	92	Very high	90.3	Very high	2 Å²	2	25 Å²	25	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-59.8	-45.4	175.8	179.7	-167.4	76.8	-168.9	-0	110.9	V47 F48 S54 Y205 I291 S322	V47-R50 WeakPolarHBondContact O-CA 3.25Å; V47-R50 VanDerWaalsContact O-CB 3.26Å; V47-R50 WeakPolarHBondContact O-CB 3.38Å; V47-R50 PolarHBondContact O-N 2.9Å; F48-R50 VanDerWaalsContact C-N 3.31Å; F48-R50 PolarHBondContact O-N 3.36Å; R50-S54 VanDerWaalsContact O-CB 3.29Å; R50-S54 WeakPolarHBondContact O-CB 3.48Å; R50-S54 PolarHBondContact O-N 2.74Å; R50-S54 PolarHBondContact O-OG 3.31Å; R50-Y205 HydrophobicContact CB-CG 4.13Å; R50-Y205 HydrophobicContact CG-CG 4.35Å; R50-I291 HydrophobicContact CG-CG2 3.89Å; R50-S322 PolarHBondContact NH2-O 3.12Å
51	E	91.9	Very high	90.7	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.019	11%	0.113	C	C	.	.	H	α-helix	trans	-66.4	-44.9	-179.4	-63	-55.5	126.7	0	0	111.9	Y42 V47 F48 V49 S54 N55 G132 R323	Y42-E51 HydrophobicContact CE1-CG 4.34Å; V47-E51 HydrophobicContact CG1-CG 4.36Å; V47-E51 PolarHBondContact O-N 3.11Å; V47-E51 VanDerWaalsContact O-N 3.1Å; F48-E51 PolarHBondContact O-N 2.82Å; V49-E51 VanDerWaalsContact C-N 3.35Å; V49-E51 PolarHBondContact O-N 3.46Å; E51-S54 PolarHBondContact O-N 3.43Å; E51-N55 VanDerWaalsContact O-CG 3.29Å; E51-N55 PolarHBondContact O-N 3.01Å; E51-N55 PolarHBondContact O-ND2 3.34Å; E51-G132 WeakPolarHBondContact CB-O 3.49Å; E51-R323 IonicContact OE1-NE 3.49Å; E51-R323 IonicContact OE2-NE 3.55Å
52	L	95.2	Very high	91.2	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-63.8	-44.2	178	-64.6	-175.6	0	0	0	112.1	F48 V49 S54 N55 A56 V87 F133 A136 I181	F48-L52 HydrophobicContact CD2-CD1 3.97Å; F48-L52 HydrophobicContact CE2-CD1 4.26Å; F48-L52 WeakPolarHBondContact O-CG 3.23Å; F48-L52 PolarHBondContact O-N 3.27Å; V49-L52 PolarHBondContact O-N 3.2Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 2.96Å; L52-N55 PolarHBondContact O-N 2.84Å; L52-A56 WeakPolarHBondContact O-CB 3.5Å; L52-A56 PolarHBondContact O-N 3.48Å; L52-V87 HydrophobicContact CB-CG1 4.35Å; L52-V87 HydrophobicContact CB-CG2 4.29Å; L52-V87 HydrophobicContact CD1-CG2 3.96Å; L52-F133 HydrophobicContact CD2-CD2 4.41Å; L52-A136 HydrophobicContact CD1-CB 4.39Å; L52-A136 HydrophobicContact CD2-CB 4.47Å; L52-I181 HydrophobicContact CD2-CD1 3.88Å
53	V	94.3	Very high	91.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.5	-36.1	176.3	172.8	0	0	0	0	111.6	V49 A56 S57 I74 I76 L202 V209 I213	V49-V53 HydrophobicContact CG1-CG2 4.26Å; V49-V53 WeakPolarHBondContact O-CB 3.34Å; V49-V53 VanDerWaalsContact O-CG2 3.24Å; V49-V53 WeakPolarHBondContact O-CG2 3.32Å; V49-V53 PolarHBondContact O-N 3.03Å; V53-A56 PolarHBondContact O-N 3.04Å; V53-S57 WeakPolarHBondContact O-CB 3.28Å; V53-S57 PolarHBondContact O-N 2.94Å; V53-I74 HydrophobicContact CG1-CD1 4.14Å; V53-I76 HydrophobicContact CG2-CD1 3.9Å; V53-L202 HydrophobicContact CG2-CD2 3.87Å; V53-V209 HydrophobicContact CG1-CG1 4.44Å; V53-V209 HydrophobicContact CG1-CG2 4.01Å; V53-I213 HydrophobicContact CG1-CD1 3.87Å
54	S	91	Very high	91.8	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.007	10%	0.097	C	C	.	.	H	α-helix	trans	-64.6	-42.7	175.3	-61.2	0	0	0	0	111.4	R50 E51 L52 S57 D58	R50-S54 VanDerWaalsContact O-CB 3.29Å; R50-S54 WeakPolarHBondContact O-CB 3.48Å; R50-S54 PolarHBondContact O-N 2.74Å; R50-S54 PolarHBondContact O-OG 3.31Å; E51-S54 PolarHBondContact O-N 3.43Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 2.96Å; S54-S57 WeakPolarHBondContact O-CB 3.32Å; S54-S57 PolarHBondContact O-N 3.09Å; S54-D58 PolarHBondContact O-N 3.12Å
55	N	93.2	Very high	91.5	Very high	50 Å²	50	19 Å²	19	27%	0.267	9%	0.092	S	C	.	.	H	α-helix	trans	-63.9	-43.1	176.2	-69.2	-18.7	0	0	0	111.9	E51 L52 S57 D58 A59	E51-N55 VanDerWaalsContact O-CG 3.29Å; E51-N55 PolarHBondContact O-N 3.01Å; E51-N55 PolarHBondContact O-ND2 3.34Å; L52-N55 PolarHBondContact O-N 2.84Å; N55-S57 VanDerWaalsContact C-N 3.35Å; N55-D58 PolarHBondContact O-N 3.33Å; N55-A59 PolarHBondContact O-N 3.5Å
56	A	94.8	Very high	91.1	Very high	2 Å²	2	19 Å²	19	2%	0.017	10%	0.1	C	C	.	.	H	α-helix	trans	-59.3	-45.3	173.8	0	0	0	0	0	111.5	L52 V53 D58 A59 L60 I74 D89	L52-A56 WeakPolarHBondContact O-CB 3.5Å; L52-A56 PolarHBondContact O-N 3.48Å; V53-A56 PolarHBondContact O-N 3.04Å; A56-D58 VanDerWaalsContact C-N 3.34Å; A56-D58 PolarHBondContact O-N 2.83Å; A56-A59 PolarHBondContact O-N 3.16Å; A56-L60 VanDerWaalsContact O-CG 3.31Å; A56-L60 WeakPolarHBondContact O-CG 3.16Å; A56-L60 PolarHBondContact O-N 3.18Å; A56-I74 HydrophobicContact CB-CD1 3.76Å; A56-I74 HydrophobicContact CB-CG1 3.97Å; A56-I74 HydrophobicContact CB-CG2 4.06Å; A56-D89 HydrophobicContact CB-CB 3.75Å
57	S	92.2	Very high	90.5	Very high	9 Å²	9	21 Å²	21	6%	0.063	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-42.1	175.2	-174.4	0	0	0	0	112.1	V53 S54 N55 L60 E61 F211	V53-S57 WeakPolarHBondContact O-CB 3.28Å; V53-S57 PolarHBondContact O-N 2.94Å; S54-S57 WeakPolarHBondContact O-CB 3.32Å; S54-S57 PolarHBondContact O-N 3.09Å; N55-S57 VanDerWaalsContact C-N 3.35Å; S57-L60 PolarHBondContact O-N 2.86Å; S57-E61 WeakPolarHBondContact O-CB 3.27Å; S57-E61 PolarHBondContact O-N 3.49Å; S57-F211 VanDerWaalsContact O-CE2 3.3Å; S57-F211 WeakPolarHBondContact O-CE2 3.16Å; S57-F211 WeakPolarHBondContact OG-CD2 3.33Å
58	D	90.6	Very high	89.6	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-64.9	-39.7	176.4	-74.7	-11	0	0	0	112	S54 N55 A56 E61 K62 T111 L125 I126 G127	S54-D58 PolarHBondContact O-N 3.12Å; N55-D58 PolarHBondContact O-N 3.33Å; A56-D58 VanDerWaalsContact C-N 3.34Å; A56-D58 PolarHBondContact O-N 2.83Å; D58-E61 PolarHBondContact O-N 3.08Å; D58-K62 VanDerWaalsContact O-CG 3.28Å; D58-K62 WeakPolarHBondContact O-CG 3.49Å; D58-K62 PolarHBondContact O-N 2.89Å; D58-T111 HydrophobicContact CB-CG2 4.45Å; D58-L125 HydrophobicContact CB-CD2 3.78Å; D58-L125 WeakPolarHBondContact OD1-CA 3.43Å; D58-I126 PolarHBondContact OD1-N 3.33Å; D58-I126 PolarHBondContact OD2-N 3.05Å; D58-G127 WeakPolarHBondContact OD2-CA 3.46Å; D58-G127 PolarHBondContact OD2-N 2.92Å
59	A	93.3	Very high	88.8	Confident	13 Å²	13	33.3 Å²	33.3	11%	0.107	19%	0.187	C	C	.	.	H	α-helix	trans	-65.1	-39.5	177.6	0	0	0	0	0	112.1	N55 A56 L63 I92	N55-A59 PolarHBondContact O-N 3.5Å; A56-A59 PolarHBondContact O-N 3.16Å; A59-L63 PolarHBondContact O-N 3.37Å; A59-L63 VanDerWaalsContact O-N 3.17Å; A59-I92 HydrophobicContact CB-CG2 4.43Å; A59-I92 PolarHBondContact O-N 3.04Å; A59-I92 VanDerWaalsContact O-N 3.14Å
60	L	93.4	Very high	88.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.6	-47	172.5	-66.4	172.1	0	0	0	110.9	A56 S57 K62 L63 R64 Y70 P72 I74 D89 N90 F211	A56-L60 VanDerWaalsContact O-CG 3.31Å; A56-L60 WeakPolarHBondContact O-CG 3.16Å; A56-L60 PolarHBondContact O-N 3.18Å; S57-L60 PolarHBondContact O-N 2.86Å; L60-K62 VanDerWaalsContact C-N 3.32Å; L60-K62 PolarHBondContact O-N 2.93Å; L60-L63 PolarHBondContact O-N 3.28Å; L60-L63 VanDerWaalsContact O-N 3.17Å; L60-R64 WeakPolarHBondContact O-CB 3.31Å; L60-R64 PolarHBondContact O-N 2.88Å; L60-Y70 HydrophobicContact CD2-CE2 4.08Å; L60-Y70 PolarHBondContact O-OH 2.89Å; L60-P72 HydrophobicContact CD1-CB 4.37Å; L60-P72 HydrophobicContact CD2-CB 3.91Å; L60-I74 HydrophobicContact CD1-CD1 4.11Å; L60-I74 HydrophobicContact CD1-CG1 3.53Å; L60-D89 HydrophobicContact CG-CB 4.49Å; L60-N90 WeakPolarHBondContact CD2-OD1 3.06Å; L60-F211 HydrophobicContact CB-CD1 4.24Å; L60-F211 HydrophobicContact CB-CD2 3.85Å; L60-F211 HydrophobicContact CB-CE1 4.06Å; L60-F211 HydrophobicContact CB-CE2 3.67Å; L60-F211 HydrophobicContact CB-CG 4.13Å; L60-F211 HydrophobicContact CB-CZ 3.76Å; L60-F211 HydrophobicContact CD1-CB 3.69Å; L60-F211 HydrophobicContact CD1-CD1 4.18Å; L60-F211 HydrophobicContact CD1-CD2 3.77Å; L60-F211 HydrophobicContact CD1-CE2 4.46Å; L60-F211 HydrophobicContact CD1-CG 3.6Å; L60-F211 HydrophobicContact CG-CD2 4.47Å
61	E	89.3	Confident	88.2	Confident	14 Å²	14	40.5 Å²	40.5	7%	0.065	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-41.6	179.7	-173.6	60	-160	0	0	111.9	S57 D58 R64 T65 V122 Q124 L125 F211	S57-E61 WeakPolarHBondContact O-CB 3.27Å; S57-E61 PolarHBondContact O-N 3.49Å; D58-E61 PolarHBondContact O-N 3.08Å; E61-R64 WeakPolarHBondContact O-CB 3.35Å; E61-R64 PolarHBondContact O-N 3.28Å; E61-R64 IonicContact OE1-CZ 3.48Å; E61-R64 IonicContact OE1-NE 2.81Å; E61-R64 PolarHBondContact OE1-NE 3.18Å; E61-R64 IonicContact OE1-NH2 2.84Å; E61-R64 PolarHBondContact OE1-NH2 2.92Å; E61-R64 IonicContact OE2-CZ 3.85Å; E61-R64 IonicContact OE2-NE 3.64Å; E61-R64 PolarHBondContact OE2-NE 2.96Å; E61-R64 IonicContact OE2-NH2 2.92Å; E61-R64 PolarHBondContact OE2-NH2 2.84Å; E61-T65 WeakPolarHBondContact O-CG2 3.09Å; E61-T65 PolarHBondContact O-N 3.37Å; E61-V122 HydrophobicContact CG-CG1 4.46Å; E61-Q124 HydrophobicContact CG-CB 4.16Å; E61-Q124 PolarHBondContact OE1-OE1 3.03Å; E61-Q124 PolarHBondContact OE2-OE1 3.12Å; E61-L125 HydrophobicContact CB-CD2 4.06Å; E61-L125 HydrophobicContact CG-CD2 4.18Å; E61-F211 HydrophobicContact CB-CE2 4.24Å; E61-F211 HydrophobicContact CB-CZ 4.21Å; E61-F211 WeakPolarHBondContact OE2-CZ 3.41Å
62	K	89.3	Confident	88.3	Confident	25 Å²	25	41.6 Å²	41.6	11%	0.109	23%	0.23	C	C	.	.	H	α-helix	trans	-59	-47.6	173.5	-73	176	-167.7	178.6	0	112	D58 L60 R64 T65 I92 G110 T111 F114 L125	D58-K62 VanDerWaalsContact O-CG 3.28Å; D58-K62 WeakPolarHBondContact O-CG 3.49Å; D58-K62 PolarHBondContact O-N 2.89Å; L60-K62 VanDerWaalsContact C-N 3.32Å; L60-K62 PolarHBondContact O-N 2.93Å; K62-R64 VanDerWaalsContact C-N 3.31Å; K62-R64 PolarHBondContact O-N 3.45Å; K62-T65 PolarHBondContact O-N 3.33Å; K62-T65 PolarHBondContact O-OG1 2.85Å; K62-I92 HydrophobicContact CB-CB 4.41Å; K62-I92 HydrophobicContact CB-CD1 4.18Å; K62-I92 HydrophobicContact CB-CG2 4.18Å; K62-I92 HydrophobicContact CD-CG2 4.34Å; K62-G110 VanDerWaalsContact NZ-C 3.32Å; K62-G110 PolarHBondContact NZ-O 3.17Å; K62-G110 VanDerWaalsContact NZ-O 3.14Å; K62-T111 VanDerWaalsContact CE-OG1 3.29Å; K62-T111 WeakPolarHBondContact CE-OG1 3.18Å; K62-T111 PolarHBondContact NZ-OG1 3.29Å; K62-F114 HydrophobicContact CB-CZ 4.39Å; K62-F114 HydrophobicContact CD-CB 4.44Å; K62-F114 HydrophobicContact CD-CD1 4.46Å; K62-F114 HydrophobicContact CD-CD2 4.28Å; K62-F114 HydrophobicContact CD-CG 4.14Å; K62-F114 HydrophobicContact CG-CD1 3.95Å; K62-F114 HydrophobicContact CG-CD2 4.24Å; K62-F114 HydrophobicContact CG-CE1 3.97Å; K62-F114 HydrophobicContact CG-CE2 4.27Å; K62-F114 HydrophobicContact CG-CG 4.08Å; K62-F114 HydrophobicContact CG-CZ 4.14Å; K62-L125 HydrophobicContact CG-CD2 4.28Å
63	L	91	Very high	88.3	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-63.5	-38.8	177.8	-177.7	59.3	0	0	0	111.5	A59 L60 T65 T66 Q67 Y70 N90 I92 H150	A59-L63 PolarHBondContact O-N 3.37Å; A59-L63 VanDerWaalsContact O-N 3.17Å; L60-L63 PolarHBondContact O-N 3.28Å; L60-L63 VanDerWaalsContact O-N 3.17Å; L63-T65 PolarHBondContact O-N 3.47Å; L63-T66 PolarHBondContact O-N 3.34Å; L63-T66 PolarHBondContact O-OG1 3.43Å; L63-Q67 HydrophobicContact CD1-CB 4.14Å; L63-Q67 HydrophobicContact CG-CB 4.49Å; L63-Q67 PolarHBondContact O-N 3.22Å; L63-Y70 HydrophobicContact CD2-CD2 3.96Å; L63-Y70 HydrophobicContact CD2-CE1 4.27Å; L63-Y70 HydrophobicContact CD2-CE2 3.64Å; L63-Y70 HydrophobicContact CD2-CG 4.4Å; L63-Y70 HydrophobicContact CG-CE1 4.06Å; L63-Y70 HydrophobicContact CG-CE2 4.28Å; L63-N90 WeakPolarHBondContact CD2-O 3.49Å; L63-I92 HydrophobicContact CB-CB 4.15Å; L63-H150 HydrophobicContact CD1-CB 4Å
64	R	86.8	Confident	88.4	Confident	102 Å²	102	45.5 Å²	45.5	39%	0.385	25%	0.247	S	C	.	.	H	α-helix	trans	-59.2	-29.6	176.6	-168.5	176	71.9	129.6	-3.2	113.1	L60 E61 K62 T66 Y70 Q124	L60-R64 WeakPolarHBondContact O-CB 3.31Å; L60-R64 PolarHBondContact O-N 2.88Å; E61-R64 WeakPolarHBondContact O-CB 3.35Å; E61-R64 PolarHBondContact O-N 3.28Å; E61-R64 IonicContact OE1-CZ 3.48Å; E61-R64 IonicContact OE1-NE 2.81Å; E61-R64 PolarHBondContact OE1-NE 3.18Å; E61-R64 IonicContact OE1-NH2 2.84Å; E61-R64 PolarHBondContact OE1-NH2 2.92Å; E61-R64 IonicContact OE2-CZ 3.85Å; E61-R64 IonicContact OE2-NE 3.64Å; E61-R64 PolarHBondContact OE2-NE 2.96Å; E61-R64 IonicContact OE2-NH2 2.92Å; E61-R64 PolarHBondContact OE2-NH2 2.84Å; K62-R64 VanDerWaalsContact C-N 3.31Å; K62-R64 PolarHBondContact O-N 3.45Å; R64-T66 VanDerWaalsContact C-N 3.3Å; R64-T66 PolarHBondContact O-N 2.96Å; R64-Y70 HydrophobicContact CB-CE1 4.24Å; R64-Q124 VanDerWaalsContact NH2-OE1 3.08Å
65	T	82.1	Confident	88.7	Confident	57 Å²	57	46.2 Å²	46.2	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-69.5	-25.6	174.9	68.7	0	0	0	0	113.7	E61 K62 L63	E61-T65 WeakPolarHBondContact O-CG2 3.09Å; E61-T65 PolarHBondContact O-N 3.37Å; K62-T65 PolarHBondContact O-N 3.33Å; K62-T65 PolarHBondContact O-OG1 2.85Å; L63-T65 PolarHBondContact O-N 3.47Å
66	T	81.9	Confident	88.9	Confident	97 Å²	97	43.8 Å²	43.8	60%	0.595	24%	0.238	S	C	*	.	H	α-helix	trans	-104.2	-27.1	-178.7	55.5	0	0	0	0	112.9	L63 R64	L63-T66 PolarHBondContact O-N 3.34Å; L63-T66 PolarHBondContact O-OG1 3.43Å; R64-T66 VanDerWaalsContact C-N 3.3Å; R64-T66 PolarHBondContact O-N 2.96Å
67	Q	80.4	Confident	89.1	Confident	61 Å²	61	47.6 Å²	47.6	29%	0.285	25%	0.252	S	S	.	.			trans	-135.4	111.4	-177.4	-174.8	167	-16.5	0	0	111.4	L63 A69 Y70 H150	L63-Q67 HydrophobicContact CD1-CB 4.14Å; L63-Q67 HydrophobicContact CG-CB 4.49Å; L63-Q67 PolarHBondContact O-N 3.22Å; Q67-A69 PolarHBondContact NE2-O 2.55Å; Q67-Y70 HydrophobicContact CG-CD1 4.44Å; Q67-Y70 WeakPolarHBondContact O-CD1 3.28Å; Q67-Y70 WeakPolarHBondContact O-CE1 3.36Å; Q67-H150 PolarHBondContact OE1-CE1 2.78Å; Q67-H150 PolarHBondContact OE1-ND1 3.18Å; Q67-H150 PolarHBondContact OE1-NE2 2.83Å
68	L	71.4	Confident	89.3	Confident	169 Å²	169	48.1 Å²	48.1	89%	0.885	26%	0.255	S	S	*	.	S	Bend	trans	-80.2	-27.8	-178.9	-78.2	129.4	0	0	0	113.8
69	A	75.4	Confident	89.5	Confident	89 Å²	89	51 Å²	51	74%	0.736	27%	0.271	S	S	*	.	S	Bend	trans	-107.3	84	-174.8	0	0	0	0	0	111	Q67	Q67-A69 PolarHBondContact NE2-O 2.55Å
70	Y	85.2	Confident	89.4	Confident	45 Å²	45	56.6 Å²	56.6	18%	0.176	29%	0.293	C	S	.	.	S	Bend	trans	-153.4	164.8	164.8	78.9	-69.6	0	0	0	109.2	L60 L63 R64 Q67 P72	L60-Y70 HydrophobicContact CD2-CE2 4.08Å; L60-Y70 PolarHBondContact O-OH 2.89Å; L63-Y70 HydrophobicContact CD2-CD2 3.96Å; L63-Y70 HydrophobicContact CD2-CE1 4.27Å; L63-Y70 HydrophobicContact CD2-CE2 3.64Å; L63-Y70 HydrophobicContact CD2-CG 4.4Å; L63-Y70 HydrophobicContact CG-CE1 4.06Å; L63-Y70 HydrophobicContact CG-CE2 4.28Å; R64-Y70 HydrophobicContact CB-CE1 4.24Å; Q67-Y70 HydrophobicContact CG-CD1 4.44Å; Q67-Y70 WeakPolarHBondContact O-CD1 3.28Å; Q67-Y70 WeakPolarHBondContact O-CE1 3.36Å; Y70-P72 HydrophobicContact CD2-CB 4.37Å; Y70-P72 HydrophobicContact CE2-CB 3.59Å; Y70-P72 HydrophobicContact CE2-CG 4.43Å; Y70-P72 WeakPolarHBondContact O-CD 3.29Å
71	D	90.1	Very high	89.3	Confident	109 Å²	109	63.8 Å²	63.8	58%	0.583	33%	0.33	S	S	*	.			trans	-98.7	90.3	178.6	-178.1	33	0	0	0	110.1	K73 N90	D71-K73 PolarHBondContact O-N 2.64Å; D71-N90 PolarHBondContact O-ND2 3.06Å
72	P	92.9	Very high	89.5	Confident	26 Å²	26	69.7 Å²	69.7	17%	0.169	36%	0.358	C	S	.	.			trans	-68.7	130.6	-176.3	27.1	-35.1	0	0	0	111.6	L60 Y70 F211 P212	L60-P72 HydrophobicContact CD1-CB 4.37Å; L60-P72 HydrophobicContact CD2-CB 3.91Å; Y70-P72 HydrophobicContact CD2-CB 4.37Å; Y70-P72 HydrophobicContact CE2-CB 3.59Å; Y70-P72 HydrophobicContact CE2-CG 4.43Å; Y70-P72 WeakPolarHBondContact O-CD 3.29Å; P72-F211 HydrophobicContact CB-CD1 3.58Å; P72-F211 HydrophobicContact CB-CE1 3.92Å; P72-F211 HydrophobicContact CB-CG 4.47Å; P72-F211 HydrophobicContact CG-CD1 3.75Å; P72-F211 HydrophobicContact CG-CE1 4.03Å; P72-P212 WeakPolarHBondContact O-CD 3.41Å
73	K	95	Very high	89.7	Confident	84 Å²	84	73.9 Å²	73.9	37%	0.365	38%	0.376	S	S	.	.			trans	-151	152.3	177.8	63.4	-174.9	179.6	-177.1	0	112.5	D71 N90 Y214	D71-K73 PolarHBondContact O-N 2.64Å; K73-N90 PolarHBondContact N-OD1 2.93Å; K73-N90 PolarHBondContact O-N 3.08Å; K73-N90 PolarHBondContact O-OD1 3.22Å; K73-N90 VanDerWaalsContact O-OD1 3.1Å; K73-Y214 HydrophobicContact CB-CD2 4.29Å; K73-Y214 HydrophobicContact CB-CE2 4.11Å
74	I	97.2	Very high	90	Very high	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.2	169	-52.5	175.9	0	0	0	106.8	V53 A56 L60 I76 V87 Q88 V209 P212 I213 Y214	V53-I74 HydrophobicContact CG1-CD1 4.14Å; A56-I74 HydrophobicContact CB-CD1 3.76Å; A56-I74 HydrophobicContact CB-CG1 3.97Å; A56-I74 HydrophobicContact CB-CG2 4.06Å; L60-I74 HydrophobicContact CD1-CD1 4.11Å; L60-I74 HydrophobicContact CD1-CG1 3.53Å; I74-I76 HydrophobicContact CG2-CG1 4.47Å; I74-V87 HydrophobicContact CG2-CG1 4.31Å; I74-Q88 CarbonylContact C-O 3.56Å; I74-Q88 WeakPolarHBondContact CA-O 3.34Å; I74-V209 HydrophobicContact CD1-CG1 4.31Å; I74-P212 PolarHBondContact N-O 3.25Å; I74-I213 HydrophobicContact CB-CG1 4.3Å; I74-I213 HydrophobicContact CD1-CG1 4.39Å; I74-I213 CarbonylContact O-C 3.31Å; I74-I213 VanDerWaalsContact O-CA 3.3Å; I74-I213 WeakPolarHBondContact O-CA 3.49Å; I74-Y214 PolarHBondContact O-N 3.09Å
75	T	97.6	Very high	90.5	Very high	15 Å²	15	69.7 Å²	69.7	9%	0.092	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.1	178.5	-48.1	0	0	0	0	109.8	Y77 Q88 Y214	T75-Y77 HydrophobicContact CG2-CD2 3.97Å; T75-Y77 HydrophobicContact CG2-CE1 4.18Å; T75-Y77 HydrophobicContact CG2-CE2 3.24Å; T75-Y77 WeakPolarHBondContact CG2-OH 3.47Å; T75-Q88 PolarHBondContact N-O 2.88Å; T75-Q88 PolarHBondContact O-N 2.83Å; T75-Y214 CarbonylContact C-O 3.56Å; T75-Y214 WeakPolarHBondContact CA-O 3.23Å
76	I	97.9	Very high	91.3	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.7	-179.6	-58.9	175	0	0	0	108	V53 I74 L85 I86 V87 I198 L202 I213 Y214 L215 N216	V53-I76 HydrophobicContact CG2-CD1 3.9Å; I74-I76 HydrophobicContact CG2-CG1 4.47Å; I76-L85 HydrophobicContact CG2-CD1 3.66Å; I76-I86 CarbonylContact C-O 3.53Å; I76-I86 VanDerWaalsContact CA-O 3.22Å; I76-I86 WeakPolarHBondContact CA-O 3.46Å; I76-V87 HydrophobicContact CG1-CG1 4.33Å; I76-V87 HydrophobicContact CG1-CG2 4.31Å; I76-I198 HydrophobicContact CG2-CG2 4.05Å; I76-L202 HydrophobicContact CD1-CD1 3.75Å; I76-L202 HydrophobicContact CD1-CD2 3.66Å; I76-L202 HydrophobicContact CD1-CG 4.29Å; I76-I213 HydrophobicContact CD1-CG2 3.93Å; I76-I213 HydrophobicContact CG1-CG2 4.49Å; I76-Y214 PolarHBondContact N-O 3.34Å; I76-L215 HydrophobicContact CB-CD1 4.06Å; I76-L215 HydrophobicContact CG2-CD1 3.8Å; I76-L215 CarbonylContact O-C 3.56Å; I76-L215 WeakPolarHBondContact O-CA 3.21Å; I76-N216 PolarHBondContact O-N 3.47Å
77	Y	97.5	Very high	92	Very high	81 Å²	81	63.9 Å²	63.9	32%	0.318	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.5	175.9	-64.2	-76.7	0	0	0	110.7	T75 I86 N216 D217	T75-Y77 HydrophobicContact CG2-CD2 3.97Å; T75-Y77 HydrophobicContact CG2-CE1 4.18Å; T75-Y77 HydrophobicContact CG2-CE2 3.24Å; T75-Y77 WeakPolarHBondContact CG2-OH 3.47Å; Y77-I86 PolarHBondContact N-O 2.97Å; Y77-I86 PolarHBondContact O-N 3.2Å; Y77-N216 WeakPolarHBondContact CA-OD1 3.38Å; Y77-D217 WeakPolarHBondContact CE1-OD1 3.49Å; Y77-D217 PolarHBondContact OH-OD1 2.78Å
78	T	97.1	Very high	92.9	Very high	20 Å²	20	62.6 Å²	62.6	12%	0.123	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.3	176.1	57.7	0	0	0	0	109.7	L85 A193 I198 L215 N216	T78-L85 HydrophobicContact CG2-CD1 3.63Å; T78-A193 WeakPolarHBondContact CB-O 3.22Å; T78-I198 HydrophobicContact CG2-CB 4.19Å; T78-I198 HydrophobicContact CG2-CG1 3.67Å; T78-L215 HydrophobicContact CG2-CD1 4.13Å; T78-N216 PolarHBondContact N-OD1 3.16Å; T78-N216 PolarHBondContact OG1-ND2 2.73Å
79	D	93.9	Very high	94.1	Very high	63 Å²	63	55 Å²	55	34%	0.337	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	112.4	174.6	-168.6	-30.9	0	0	0	110.7	L81 E82 K83 V84 A193	D79-L81 WeakPolarHBondContact OD1-CA 3.47Å; D79-L81 WeakPolarHBondContact OD1-CB 3.33Å; D79-L81 PolarHBondContact OD1-N 2.96Å; D79-E82 HydrophobicContact CB-CB 4.25Å; D79-E82 PolarHBondContact OD1-N 3.43Å; D79-E82 VanDerWaalsContact OD1-N 3.08Å; D79-K83 VanDerWaalsContact O-CA 3.24Å; D79-K83 WeakPolarHBondContact O-CA 3.43Å; D79-K83 PolarHBondContact O-N 3.38Å; D79-V84 HydrophobicContact CB-CG2 3.78Å; D79-V84 PolarHBondContact N-O 3.33Å; D79-V84 PolarHBondContact O-N 3.37Å; D79-V84 VanDerWaalsContact O-N 3.07Å; D79-A193 WeakPolarHBondContact O-CB 3.2Å
80	K	91.8	Very high	95.1	Very high	129 Å²	129	52.7 Å²	52.7	56%	0.561	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-29.9	179	-68.9	-173.5	178.5	178.7	0	113.4	A193 D194	K80-A193 HydrophobicContact CG-CB 4.18Å; K80-A193 WeakPolarHBondContact CG-O 3.35Å; K80-D194 WeakPolarHBondContact CE-OD2 3.2Å; K80-D194 IonicContact NZ-OD2 2.63Å; K80-D194 PolarHBondContact NZ-OD2 2.92Å
81	L	91.5	Very high	95.6	Very high	152 Å²	152	50.6 Å²	50.6	80%	0.796	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-51.1	-177.9	-65.5	175.1	0	0	0	109.5	D79 K83	D79-L81 WeakPolarHBondContact OD1-CA 3.47Å; D79-L81 WeakPolarHBondContact OD1-CB 3.33Å; D79-L81 PolarHBondContact OD1-N 2.96Å; L81-K83 PolarHBondContact O-N 3.02Å
82	E	93.3	Very high	95.7	Very high	138 Å²	138	47 Å²	47	65%	0.645	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.7	178.1	-64	-56.6	132	0	0	112.7	D79 V84	D79-E82 HydrophobicContact CB-CB 4.25Å; D79-E82 PolarHBondContact OD1-N 3.43Å; D79-E82 VanDerWaalsContact OD1-N 3.08Å; E82-V84 VanDerWaalsContact C-N 3.31Å; E82-V84 HydrophobicContact CB-CG1 4.42Å; E82-V84 HydrophobicContact CB-CG2 3.96Å; E82-V84 PolarHBondContact O-N 3.06Å
83	K	94.9	Very high	95.8	Very high	113 Å²	113	46.1 Å²	46.1	49%	0.491	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	47.8	-177.1	-58	176.1	-177	172	0	111.7	D79 L81 L185	D79-K83 VanDerWaalsContact O-CA 3.24Å; D79-K83 WeakPolarHBondContact O-CA 3.43Å; D79-K83 PolarHBondContact O-N 3.38Å; L81-K83 PolarHBondContact O-N 3.02Å; K83-L185 HydrophobicContact CB-CB 4.49Å; K83-L185 VanDerWaalsContact O-CB 3.3Å; K83-L185 WeakPolarHBondContact O-CB 3.2Å; K83-L185 VanDerWaalsContact O-CG 3.25Å; K83-L185 WeakPolarHBondContact O-CG 3.06Å; K83-L185 PolarHBondContact O-N 3.35Å
84	V	96.5	Very high	95.9	Very high	14 Å²	14	43.6 Å²	43.6	9%	0.085	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.2	178.4	-63.9	0	0	0	0	111.4	D79 E82 I86 V182 C183	D79-V84 HydrophobicContact CB-CG2 3.78Å; D79-V84 PolarHBondContact N-O 3.33Å; D79-V84 PolarHBondContact O-N 3.37Å; D79-V84 VanDerWaalsContact O-N 3.07Å; E82-V84 VanDerWaalsContact C-N 3.31Å; E82-V84 HydrophobicContact CB-CG1 4.42Å; E82-V84 HydrophobicContact CB-CG2 3.96Å; E82-V84 PolarHBondContact O-N 3.06Å; V84-I86 HydrophobicContact CG2-CD1 4.41Å; V84-I86 HydrophobicContact CG2-CG1 4.36Å; V84-V182 HydrophobicContact CB-CG1 4.28Å; V84-V182 HydrophobicContact CG1-CG1 4.14Å; V84-C183 WeakPolarHBondContact CA-O 3.34Å
85	L	97.7	Very high	95.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.5	162.1	175.5	73	0	0	0	107.8	F48 V49 I76 T78 C183 L185 I198	F48-L85 HydrophobicContact CE2-CD2 3.41Å; F48-L85 VanDerWaalsContact CE2-CD2 3.41Å; F48-L85 HydrophobicContact CZ-CD2 3.38Å; V49-L85 HydrophobicContact CG2-CD2 4.46Å; I76-L85 HydrophobicContact CG2-CD1 3.66Å; T78-L85 HydrophobicContact CG2-CD1 3.63Å; L85-C183 HydrophobicContact CB-CB 4.4Å; L85-C183 PolarHBondContact N-O 3.11Å; L85-C183 VanDerWaalsContact N-O 3.09Å; L85-C183 WeakPolarHBondContact O-CB 3Å; L85-C183 PolarHBondContact O-N 3.39Å; L85-L185 HydrophobicContact CB-CD2 4.4Å; L85-I198 HydrophobicContact CD1-CD1 3.98Å; L85-I198 HydrophobicContact CD1-CG1 4.02Å; L85-I198 HydrophobicContact CD2-CD1 3.96Å
86	I	97.9	Very high	95.6	Very high	28 Å²	28	48.3 Å²	48.3	14%	0.144	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129	-178.8	-55.5	177.5	0	0	0	108.3	I76 Y77 V84 K180 I181 V182	I76-I86 CarbonylContact C-O 3.53Å; I76-I86 VanDerWaalsContact CA-O 3.22Å; I76-I86 WeakPolarHBondContact CA-O 3.46Å; Y77-I86 PolarHBondContact N-O 2.97Å; Y77-I86 PolarHBondContact O-N 3.2Å; V84-I86 HydrophobicContact CG2-CD1 4.41Å; V84-I86 HydrophobicContact CG2-CG1 4.36Å; I86-K180 HydrophobicContact CG2-CD 4.29Å; I86-K180 HydrophobicContact CG2-CG 3.8Å; I86-I181 CarbonylContact C-O 3.53Å; I86-I181 VanDerWaalsContact CA-O 3.26Å; I86-I181 WeakPolarHBondContact CA-O 3.23Å; I86-V182 HydrophobicContact CG1-CG1 4.21Å; I86-V182 HydrophobicContact CG1-CG2 4.25Å; I86-V182 HydrophobicContact CG2-CG2 4.45Å
87	V	97.9	Very high	95.3	Very high	4 Å²	4	54 Å²	54	2%	0.024	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.9	170.9	-177.2	0	0	0	0	108	L52 I74 I76 I181	L52-V87 HydrophobicContact CB-CG1 4.35Å; L52-V87 HydrophobicContact CB-CG2 4.29Å; L52-V87 HydrophobicContact CD1-CG2 3.96Å; I74-V87 HydrophobicContact CG2-CG1 4.31Å; I76-V87 HydrophobicContact CG1-CG1 4.33Å; I76-V87 HydrophobicContact CG1-CG2 4.31Å; V87-I181 PolarHBondContact N-O 3.4Å; V87-I181 PolarHBondContact O-N 3.29Å
88	Q	98	Very high	95.1	Very high	34 Å²	34	51.8 Å²	51.8	16%	0.159	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.6	-177.2	-175.7	173.6	-9.5	0	0	111.1	I74 T75 E176 T179 K180	I74-Q88 CarbonylContact C-O 3.56Å; I74-Q88 WeakPolarHBondContact CA-O 3.34Å; T75-Q88 PolarHBondContact N-O 2.88Å; T75-Q88 PolarHBondContact O-N 2.83Å; Q88-E176 PolarHBondContact NE2-OE2 2.95Å; Q88-T179 CarbonylContact C-O 3.6Å; Q88-T179 VanDerWaalsContact CA-O 3.25Å; Q88-T179 WeakPolarHBondContact CA-O 3.28Å; Q88-K180 HydrophobicContact CB-CB 4.28Å; Q88-K180 HydrophobicContact CB-CG 4.35Å; Q88-K180 HydrophobicContact CG-CB 3.98Å; Q88-K180 HydrophobicContact CG-CG 4.43Å
89	D	97.4	Very high	94.9	Very high	11 Å²	11	50.9 Å²	50.9	6%	0.059	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	153.7	169	70.5	83.3	0	0	0	110.7	A56 L60 G91 G178 T179	A56-D89 HydrophobicContact CB-CB 3.75Å; L60-D89 HydrophobicContact CG-CB 4.49Å; D89-G91 WeakPolarHBondContact OD1-CA 3.29Å; D89-G91 PolarHBondContact OD1-N 3.25Å; D89-G178 WeakPolarHBondContact O-CA 3.44Å; D89-T179 PolarHBondContact N-O 3.49Å; D89-T179 PolarHBondContact O-N 3.39Å; D89-T179 WeakPolarHBondContact OD2-CB 3.22Å
90	N	96	Very high	94.7	Very high	40 Å²	40	51.5 Å²	51.5	21%	0.214	25%	0.251	C	S	.	.			trans	-102.9	40.2	169.5	68	-21.3	0	0	0	111.8	L60 L63 D71 K73	L60-N90 WeakPolarHBondContact CD2-OD1 3.06Å; L63-N90 WeakPolarHBondContact CD2-O 3.49Å; D71-N90 PolarHBondContact O-ND2 3.06Å; K73-N90 PolarHBondContact N-OD1 2.93Å; K73-N90 PolarHBondContact O-N 3.08Å; K73-N90 PolarHBondContact O-OD1 3.22Å; K73-N90 VanDerWaalsContact O-OD1 3.1Å
91	G	94.9	Very high	94.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-82.6	-157.5	179.3	0	0	0	0	0	113.8	D89 G93 G178	D89-G91 WeakPolarHBondContact OD1-CA 3.29Å; D89-G91 PolarHBondContact OD1-N 3.25Å; G91-G93 PolarHBondContact O-N 3.31Å; G91-G93 VanDerWaalsContact O-N 3.15Å; G91-G178 WeakPolarHBondContact O-CA 3.41Å
92	I	94	Very high	94.4	Very high	35 Å²	35	43.8 Å²	43.8	18%	0.179	21%	0.213	C	C	.	.	S	Bend	trans	-62.7	-23.8	-172	-164.5	166.9	0	0	0	114	A59 K62 L63 K149 H150	A59-I92 HydrophobicContact CB-CG2 4.43Å; A59-I92 PolarHBondContact O-N 3.04Å; A59-I92 VanDerWaalsContact O-N 3.14Å; K62-I92 HydrophobicContact CB-CB 4.41Å; K62-I92 HydrophobicContact CB-CD1 4.18Å; K62-I92 HydrophobicContact CB-CG2 4.18Å; K62-I92 HydrophobicContact CD-CG2 4.34Å; L63-I92 HydrophobicContact CB-CB 4.15Å; I92-K149 WeakPolarHBondContact O-CA 3.41Å; I92-H150 PolarHBondContact O-N 2.75Å
93	G	95	Very high	94	Very high	6 Å²	6	38.1 Å²	38.1	6%	0.062	19%	0.187	C	C	.	.			trans	65.8	-175.5	-175.2	0	0	0	0	0	113.4	G91	G91-G93 PolarHBondContact O-N 3.31Å; G91-G93 VanDerWaalsContact O-N 3.15Å
94	M	95.2	Very high	93.3	Very high	32 Å²	32	33.9 Å²	33.9	16%	0.158	18%	0.176	C	C	.	.			trans	-130.6	144.1	-177.5	-72.4	174.3	-72.5	0	0	111.1	D98 L99 L103 V145 T147 K149 T179	M94-D98 HydrophobicContact CB-CB 3.74Å; M94-D98 HydrophobicContact CG-CB 3.93Å; M94-L99 HydrophobicContact CB-CD2 4.37Å; M94-L99 HydrophobicContact CB-CG 4.27Å; M94-L99 HydrophobicContact CE-CD2 3.98Å; M94-L99 HydrophobicContact SD-CD2 4.15Å; M94-L103 HydrophobicContact CE-CD1 4.05Å; M94-L103 HydrophobicContact SD-CD1 4.3Å; M94-L103 HydrophobicContact SD-CG 4.22Å; M94-V145 HydrophobicContact CE-CG1 4.13Å; M94-T147 HydrophobicContact CB-CG2 3.89Å; M94-T147 HydrophobicContact CE-CG2 4.35Å; M94-T147 PolarHBondContact N-OG1 3.41Å; M94-K149 PolarHBondContact O-N 3.18Å; M94-T179 HydrophobicContact CE-CG2 3.79Å
95	S	94.3	Very high	92.4	Very high	24 Å²	24	36.2 Å²	36.2	17%	0.168	19%	0.19	C	C	.	.			trans	-79.7	174.8	164.2	63	0	0	0	0	111.4	E97 D98 L99	S95-E97 VanDerWaalsContact C-N 3.26Å; S95-E97 PolarHBondContact O-N 2.87Å; S95-D98 WeakPolarHBondContact CB-OD2 3.44Å; S95-D98 PolarHBondContact N-OD2 3.1Å; S95-D98 PolarHBondContact O-N 3.21Å; S95-D98 PolarHBondContact OG-N 3.17Å; S95-D98 VanDerWaalsContact OG-N 3.15Å; S95-D98 PolarHBondContact OG-OD2 3.27Å; S95-L99 WeakPolarHBondContact O-CG 3.31Å; S95-L99 PolarHBondContact O-N 2.74Å
96	K	94.3	Very high	91.5	Very high	90 Å²	90	37.8 Å²	37.8	39%	0.391	20%	0.198	S	C	.	.	H	α-helix	trans	-59.1	-41.6	172.3	-177.8	179.5	179.3	-179.4	0	111.4	L99 I100 Y157 I169	K96-L99 PolarHBondContact O-N 2.91Å; K96-I100 HydrophobicContact CG-CD1 4.22Å; K96-I100 WeakPolarHBondContact O-CG1 3.26Å; K96-I100 PolarHBondContact O-N 3.32Å; K96-I100 VanDerWaalsContact O-N 3.15Å; K96-Y157 HydrophobicContact CB-CD1 4.35Å; K96-Y157 HydrophobicContact CB-CD2 4.23Å; K96-Y157 HydrophobicContact CB-CE1 4Å; K96-Y157 HydrophobicContact CB-CE2 3.85Å; K96-Y157 HydrophobicContact CB-CG 4.46Å; K96-Y157 HydrophobicContact CD-CE1 4.21Å; K96-Y157 HydrophobicContact CG-CE1 4.37Å; K96-I169 HydrophobicContact CG-CG2 4.43Å
97	E	92.9	Very high	90.4	Very high	119 Å²	119	39.8 Å²	39.8	56%	0.556	22%	0.219	S	C	*	.	H	α-helix	trans	-64.6	-44.8	178.6	-66.2	66	-144.7	0	0	110.4	S95 L99 I100 E101	S95-E97 VanDerWaalsContact C-N 3.26Å; S95-E97 PolarHBondContact O-N 2.87Å; E97-L99 VanDerWaalsContact C-N 3.31Å; E97-L99 PolarHBondContact O-N 3.42Å; E97-I100 PolarHBondContact O-N 3.2Å; E97-E101 WeakPolarHBondContact O-CB 3.43Å; E97-E101 PolarHBondContact O-N 2.96Å
98	D	92.1	Very high	89.5	Confident	35 Å²	35	42.8 Å²	42.8	19%	0.187	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-39.3	175.6	-66	-55.8	0	0	0	112.2	M94 S95 E101 H102	M94-D98 HydrophobicContact CB-CB 3.74Å; M94-D98 HydrophobicContact CG-CB 3.93Å; S95-D98 WeakPolarHBondContact CB-OD2 3.44Å; S95-D98 PolarHBondContact N-OD2 3.1Å; S95-D98 PolarHBondContact O-N 3.21Å; S95-D98 PolarHBondContact OG-N 3.17Å; S95-D98 VanDerWaalsContact OG-N 3.15Å; S95-D98 PolarHBondContact OG-OD2 3.27Å; D98-E101 PolarHBondContact O-N 3.22Å; D98-H102 VanDerWaalsContact O-CB 3.26Å; D98-H102 WeakPolarHBondContact O-CB 3.1Å; D98-H102 PolarHBondContact O-N 2.85Å; D98-H102 PolarHBondContact O-ND1 3.24Å; D98-H102 IonicContact OD1-CE1 3.9Å; D98-H102 PolarHBondContact OD1-CE1 2.68Å; D98-H102 IonicContact OD1-ND1 3.37Å
99	L	92.5	Very high	88.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	I	π-helix	trans	-62.5	-46.8	176.8	-75	171.4	0	0	0	111.5	M94 S95 K96 E97 L103 G104 T147 Y157 W159 I169	M94-L99 HydrophobicContact CB-CD2 4.37Å; M94-L99 HydrophobicContact CB-CG 4.27Å; M94-L99 HydrophobicContact CE-CD2 3.98Å; M94-L99 HydrophobicContact SD-CD2 4.15Å; S95-L99 WeakPolarHBondContact O-CG 3.31Å; S95-L99 PolarHBondContact O-N 2.74Å; K96-L99 PolarHBondContact O-N 2.91Å; E97-L99 VanDerWaalsContact C-N 3.31Å; E97-L99 PolarHBondContact O-N 3.42Å; L99-L103 HydrophobicContact CD2-CD1 3.6Å; L99-L103 HydrophobicContact CD2-CG 4.34Å; L99-L103 CarbonylContact O-C 3.58Å; L99-L103 WeakPolarHBondContact O-CA 3.37Å; L99-L103 WeakPolarHBondContact O-CB 3.48Å; L99-L103 PolarHBondContact O-N 3.45Å; L99-L103 VanDerWaalsContact O-N 3.09Å; L99-G104 PolarHBondContact O-N 3.05Å; L99-T147 HydrophobicContact CD1-CG2 3.9Å; L99-T147 HydrophobicContact CD2-CG2 3.94Å; L99-T147 HydrophobicContact CG-CG2 4.11Å; L99-Y157 HydrophobicContact CD1-CG 4.35Å; L99-W159 HydrophobicContact CD1-CB 4.3Å; L99-W159 HydrophobicContact CD2-CB 4.03Å; L99-W159 HydrophobicContact CD2-CG 4.49Å; L99-I169 HydrophobicContact CB-CD1 3.91Å; L99-I169 HydrophobicContact CD1-CG2 4.28Å
100	I	90.8	Very high	87.4	Confident	76 Å²	76	42.1 Å²	42.1	39%	0.39	23%	0.234	S	C	.	.	I	π-helix	trans	-65.4	-44.1	178.6	-65.4	167.4	0	0	0	110.4	K96 E97 G104 I169	K96-I100 HydrophobicContact CG-CD1 4.22Å; K96-I100 WeakPolarHBondContact O-CG1 3.26Å; K96-I100 PolarHBondContact O-N 3.32Å; K96-I100 VanDerWaalsContact O-N 3.15Å; E97-I100 PolarHBondContact O-N 3.2Å; I100-G104 CarbonylContact O-C 3.59Å; I100-G104 VanDerWaalsContact O-CA 3.22Å; I100-G104 WeakPolarHBondContact O-CA 3.26Å; I100-G104 PolarHBondContact O-N 3.28Å; I100-I169 HydrophobicContact CD1-CD1 4.4Å; I100-I169 HydrophobicContact CG1-CD1 3.63Å
101	E	88.3	Confident	86.5	Confident	81 Å²	81	40.9 Å²	40.9	38%	0.379	23%	0.228	S	C	.	.	I	π-helix	trans	-77.2	-41.2	-172.5	-172.1	168.1	-167.2	0	0	113	E97 D98 T105 K108	E97-E101 WeakPolarHBondContact O-CB 3.43Å; E97-E101 PolarHBondContact O-N 2.96Å; D98-E101 PolarHBondContact O-N 3.22Å; E101-T105 VanDerWaalsContact O-CB 3.27Å; E101-T105 WeakPolarHBondContact O-CB 3.36Å; E101-T105 PolarHBondContact O-OG1 3.42Å; E101-K108 VanDerWaalsContact CD-NZ 3.34Å; E101-K108 HydrophobicContact CG-CD 3.99Å; E101-K108 VanDerWaalsContact CG-CE 3.43Å; E101-K108 WeakPolarHBondContact O-CD 3.22Å; E101-K108 WeakPolarHBondContact OE1-CE 3.49Å; E101-K108 IonicContact OE1-NZ 3.26Å; E101-K108 PolarHBondContact OE1-NZ 3.11Å
102	H	87.6	Confident	85.7	Confident	38 Å²	38	42 Å²	42	18%	0.176	24%	0.237	C	C	.	.	I	π-helix	trans	-103	-34.3	-172.6	-56.3	136.1	0	0	0	114.3	D98 G110	D98-H102 VanDerWaalsContact O-CB 3.26Å; D98-H102 WeakPolarHBondContact O-CB 3.1Å; D98-H102 PolarHBondContact O-N 2.85Å; D98-H102 PolarHBondContact O-ND1 3.24Å; D98-H102 IonicContact OD1-CE1 3.9Å; D98-H102 PolarHBondContact OD1-CE1 2.68Å; D98-H102 IonicContact OD1-ND1 3.37Å; H102-G110 VanDerWaalsContact CD2-CA 3.48Å; H102-G110 WeakPolarHBondContact CD2-CA 3.26Å; H102-G110 PolarHBondContact CD2-N 2.72Å; H102-G110 VanDerWaalsContact NE2-CA 3.29Å; H102-G110 WeakPolarHBondContact NE2-CA 3.29Å
103	L	85.9	Confident	85	Confident	19 Å²	19	43 Å²	43	10%	0.099	24%	0.243	C	C	.	.	I	π-helix	trans	-95.1	-28.9	174.5	-61.5	-171.7	0	0	0	112.3	M94 L99 F133 Y134 V145	M94-L103 HydrophobicContact CE-CD1 4.05Å; M94-L103 HydrophobicContact SD-CD1 4.3Å; M94-L103 HydrophobicContact SD-CG 4.22Å; L99-L103 HydrophobicContact CD2-CD1 3.6Å; L99-L103 HydrophobicContact CD2-CG 4.34Å; L99-L103 CarbonylContact O-C 3.58Å; L99-L103 WeakPolarHBondContact O-CA 3.37Å; L99-L103 WeakPolarHBondContact O-CB 3.48Å; L99-L103 PolarHBondContact O-N 3.45Å; L99-L103 VanDerWaalsContact O-N 3.09Å; L103-F133 HydrophobicContact CD1-CZ 4.31Å; L103-F133 HydrophobicContact CD2-CB 4.3Å; L103-F133 HydrophobicContact CD2-CD1 3.81Å; L103-F133 HydrophobicContact CD2-CD2 4.13Å; L103-F133 HydrophobicContact CD2-CE1 4.12Å; L103-F133 HydrophobicContact CD2-CE2 4.43Å; L103-F133 HydrophobicContact CD2-CG 3.81Å; L103-F133 HydrophobicContact CD2-CZ 4.42Å; L103-Y134 PolarHBondContact O-OH 2.81Å; L103-V145 HydrophobicContact CD1-CB 4.37Å; L103-V145 HydrophobicContact CD1-CG1 4.1Å; L103-V145 HydrophobicContact CD1-CG2 4.16Å
104	G	80	Confident	84.2	Confident	25 Å²	25	44.7 Å²	44.7	26%	0.258	25%	0.249	S	C	.	.	S	Bend	trans	-80.6	-12.9	178	0	0	0	0	0	114.9	L99 I100 Y167	L99-G104 PolarHBondContact O-N 3.05Å; I100-G104 CarbonylContact O-C 3.59Å; I100-G104 VanDerWaalsContact O-CA 3.22Å; I100-G104 WeakPolarHBondContact O-CA 3.26Å; I100-G104 PolarHBondContact O-N 3.28Å; G104-Y167 VanDerWaalsContact CA-CE1 3.44Å
105	T	78.2	Confident	83.3	Confident	63 Å²	63	45.8 Å²	45.8	39%	0.387	26%	0.257	S	S	.	.	S	Bend	trans	-120	112.9	-178.2	-52.3	0	0	0	0	111.1	E101 K108	E101-T105 VanDerWaalsContact O-CB 3.27Å; E101-T105 WeakPolarHBondContact O-CB 3.36Å; E101-T105 PolarHBondContact O-OG1 3.42Å; T105-K108 HydrophobicContact CG2-CB 4Å; T105-K108 HydrophobicContact CG2-CD 4.26Å; T105-K108 PolarHBondContact O-N 3.19Å
106	I	77.4	Confident	82.5	Confident	33 Å²	33	51.9 Å²	51.9	17%	0.169	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	139.5	177.5	-57.7	176.8	0	0	0	110.2	T30 L33 M34 K108 V131 Y134	T30-I106 HydrophobicContact CG2-CD1 3.64Å; T30-I106 HydrophobicContact CG2-CG1 4.45Å; L33-I106 HydrophobicContact CB-CD1 3.95Å; M34-I106 HydrophobicContact CG-CD1 3.72Å; M34-I106 HydrophobicContact SD-CD1 3.68Å; M34-I106 HydrophobicContact SD-CG1 4.25Å; I106-K108 PolarHBondContact O-N 3.45Å; I106-V131 HydrophobicContact CG2-CG1 4.29Å; I106-Y134 HydrophobicContact CB-CE2 4.26Å; I106-Y134 HydrophobicContact CG1-CE2 3.91Å; I106-Y134 HydrophobicContact CG2-CE2 4.33Å
107	A	75.5	Confident	81.6	Confident	71 Å²	71	51.1 Å²	51.1	59%	0.587	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	21.8	179.4	0	0	0	0	0	114.6	F129 G130 V131	A107-F129 WeakPolarHBondContact CA-O 3.27Å; A107-G130 PolarHBondContact N-O 2.77Å; A107-G130 VanDerWaalsContact N-O 3.09Å; A107-V131 HydrophobicContact CB-CG1 4.31Å
108	K	78.5	Confident	80.4	Confident	67 Å²	67	48.8 Å²	48.8	29%	0.291	28%	0.281	S	S	.	.			trans	-109.6	130.4	168.1	-164.8	161.4	177.3	178.4	0	110	E101 T105 I106 G130	E101-K108 VanDerWaalsContact CD-NZ 3.34Å; E101-K108 HydrophobicContact CG-CD 3.99Å; E101-K108 VanDerWaalsContact CG-CE 3.43Å; E101-K108 WeakPolarHBondContact O-CD 3.22Å; E101-K108 WeakPolarHBondContact OE1-CE 3.49Å; E101-K108 IonicContact OE1-NZ 3.26Å; E101-K108 PolarHBondContact OE1-NZ 3.11Å; T105-K108 HydrophobicContact CG2-CB 4Å; T105-K108 HydrophobicContact CG2-CD 4.26Å; T105-K108 PolarHBondContact O-N 3.19Å; I106-K108 PolarHBondContact O-N 3.45Å; K108-G130 WeakPolarHBondContact O-CA 2.92Å
109	S	79.5	Confident	78.7	Confident	15 Å²	15	56.4 Å²	56.4	11%	0.105	32%	0.315	C	S	.	.			trans	-123.7	112.5	-178	173.4	0	0	0	0	110.5	T111 A112 D113 G127	S109-T111 PolarHBondContact O-N 3.31Å; S109-T111 VanDerWaalsContact O-N 3.13Å; S109-T111 WeakPolarHBondContact OG-CB 3.32Å; S109-T111 PolarHBondContact OG-N 3.01Å; S109-T111 VanDerWaalsContact OG-N 3.16Å; S109-A112 WeakPolarHBondContact O-CB 3.04Å; S109-A112 PolarHBondContact O-N 3.11Å; S109-A112 PolarHBondContact OG-N 3.34Å; S109-A112 VanDerWaalsContact OG-N 3.12Å; S109-D113 PolarHBondContact O-N 3.01Å; S109-G127 PolarHBondContact OG-O 3.12Å
110	G	73.1	Confident	76.8	Confident	15 Å²	15	59.3 Å²	59.3	16%	0.155	34%	0.339	C	S	.	.	H	α-helix	trans	-63.2	-15.9	170.5	0	0	0	0	0	113.3	K62 H102 F114	K62-G110 VanDerWaalsContact NZ-C 3.32Å; K62-G110 PolarHBondContact NZ-O 3.17Å; K62-G110 VanDerWaalsContact NZ-O 3.14Å; H102-G110 VanDerWaalsContact CD2-CA 3.48Å; H102-G110 WeakPolarHBondContact CD2-CA 3.26Å; H102-G110 PolarHBondContact CD2-N 2.72Å; H102-G110 VanDerWaalsContact NE2-CA 3.29Å; H102-G110 WeakPolarHBondContact NE2-CA 3.29Å; G110-F114 VanDerWaalsContact O-CB 3.27Å; G110-F114 WeakPolarHBondContact O-CB 3.45Å; G110-F114 PolarHBondContact O-N 3.24Å; G110-F114 VanDerWaalsContact O-N 3.11Å
111	T	76.3	Confident	75	Confident	14 Å²	14	62.2 Å²	62.2	9%	0.086	36%	0.355	C	S	.	.	H	α-helix	trans	-76	-40.2	169.5	-63.2	0	0	0	0	111.6	D58 K62 S109 D113 F114 V115 L125 G127	D58-T111 HydrophobicContact CB-CG2 4.45Å; K62-T111 VanDerWaalsContact CE-OG1 3.29Å; K62-T111 WeakPolarHBondContact CE-OG1 3.18Å; K62-T111 PolarHBondContact NZ-OG1 3.29Å; S109-T111 PolarHBondContact O-N 3.31Å; S109-T111 VanDerWaalsContact O-N 3.13Å; S109-T111 WeakPolarHBondContact OG-CB 3.32Å; S109-T111 PolarHBondContact OG-N 3.01Å; S109-T111 VanDerWaalsContact OG-N 3.16Å; T111-D113 VanDerWaalsContact C-N 3.32Å; T111-F114 PolarHBondContact O-N 3.4Å; T111-V115 VanDerWaalsContact O-CG2 3.31Å; T111-V115 WeakPolarHBondContact O-CG2 3.12Å; T111-V115 PolarHBondContact O-N 2.82Å; T111-L125 HydrophobicContact CG2-CB 3.68Å; T111-L125 HydrophobicContact CG2-CD1 4Å; T111-L125 HydrophobicContact CG2-CD2 4.08Å; T111-L125 HydrophobicContact CG2-CG 4.12Å; T111-G127 VanDerWaalsContact CB-O 3.24Å; T111-G127 WeakPolarHBondContact CB-O 3.44Å; T111-G127 WeakPolarHBondContact CG2-O 3.22Å
112	A	77.7	Confident	73.5	Confident	24 Å²	24	59.4 Å²	59.4	20%	0.198	34%	0.343	C	S	.	.	H	α-helix	trans	-64.9	-40.1	175.1	0	0	0	0	0	111.2	S109 V115 K116	S109-A112 WeakPolarHBondContact O-CB 3.04Å; S109-A112 PolarHBondContact O-N 3.11Å; S109-A112 PolarHBondContact OG-N 3.34Å; S109-A112 VanDerWaalsContact OG-N 3.12Å; A112-V115 PolarHBondContact O-N 2.82Å; A112-K116 WeakPolarHBondContact O-CG 3.31Å; A112-K116 PolarHBondContact O-N 3.45Å; A112-K116 VanDerWaalsContact O-N 3.09Å
113	D	80.2	Confident	72.1	Confident	57 Å²	57	60.8 Å²	60.8	31%	0.305	35%	0.352	S	S	.	.	H	α-helix	trans	-70.8	-36.1	178.6	-65.6	-25.5	0	0	0	112	S109 T111 K116 A117	S109-D113 PolarHBondContact O-N 3.01Å; T111-D113 VanDerWaalsContact C-N 3.32Å; D113-K116 PolarHBondContact O-N 3.02Å; D113-K116 IonicContact OD1-NZ 3.42Å; D113-K116 PolarHBondContact OD1-NZ 3.04Å; D113-K116 VanDerWaalsContact OD1-NZ 3.14Å; D113-A117 PolarHBondContact O-N 3.38Å
114	F	78.4	Confident	71.1	Confident	40 Å²	40	63.6 Å²	63.6	18%	0.175	37%	0.365	C	S	.	.	H	α-helix	trans	-61	-44.1	170.8	-175.3	-91.8	0	0	0	112.6	K62 G110 T111 K116 A117 M118 V122 L125	K62-F114 HydrophobicContact CB-CZ 4.39Å; K62-F114 HydrophobicContact CD-CB 4.44Å; K62-F114 HydrophobicContact CD-CD1 4.46Å; K62-F114 HydrophobicContact CD-CD2 4.28Å; K62-F114 HydrophobicContact CD-CG 4.14Å; K62-F114 HydrophobicContact CG-CD1 3.95Å; K62-F114 HydrophobicContact CG-CD2 4.24Å; K62-F114 HydrophobicContact CG-CE1 3.97Å; K62-F114 HydrophobicContact CG-CE2 4.27Å; K62-F114 HydrophobicContact CG-CG 4.08Å; K62-F114 HydrophobicContact CG-CZ 4.14Å; G110-F114 VanDerWaalsContact O-CB 3.27Å; G110-F114 WeakPolarHBondContact O-CB 3.45Å; G110-F114 PolarHBondContact O-N 3.24Å; G110-F114 VanDerWaalsContact O-N 3.11Å; T111-F114 PolarHBondContact O-N 3.4Å; F114-K116 VanDerWaalsContact C-N 3.32Å; F114-K116 PolarHBondContact O-N 3.38Å; F114-A117 PolarHBondContact O-N 2.89Å; F114-M118 HydrophobicContact CD1-CG 4.28Å; F114-M118 HydrophobicContact CE1-CG 3.82Å; F114-M118 HydrophobicContact CE1-SD 4.13Å; F114-M118 HydrophobicContact CE2-CE 4.26Å; F114-M118 HydrophobicContact CE2-CG 4.37Å; F114-M118 HydrophobicContact CZ-CE 3.83Å; F114-M118 HydrophobicContact CZ-CG 3.86Å; F114-M118 HydrophobicContact CZ-SD 3.92Å; F114-M118 PolarHBondContact O-N 3.25Å; F114-V122 HydrophobicContact CE1-CG2 4.38Å; F114-L125 HydrophobicContact CD1-CD1 3.73Å; F114-L125 HydrophobicContact CE1-CD1 4.22Å
115	V	75	Confident	70.8	Confident	56 Å²	56	62.5 Å²	62.5	34%	0.339	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-38.4	176.6	171.7	0	0	0	0	111.4	T111 A112 L125	T111-V115 VanDerWaalsContact O-CG2 3.31Å; T111-V115 WeakPolarHBondContact O-CG2 3.12Å; T111-V115 PolarHBondContact O-N 2.82Å; A112-V115 PolarHBondContact O-N 2.82Å; V115-L125 HydrophobicContact CG2-CB 4.23Å; V115-L125 HydrophobicContact CG2-CD1 3.5Å; V115-L125 HydrophobicContact CG2-CG 4.48Å
116	K	77.2	Confident	70.5	Confident	152 Å²	152	59.9 Å²	59.9	66%	0.661	34%	0.337	S	S	*	.	H	α-helix	trans	-67.4	-36.7	175.7	-69.6	170.6	-168.4	159.5	0	112.3	A112 D113 F114	A112-K116 WeakPolarHBondContact O-CG 3.31Å; A112-K116 PolarHBondContact O-N 3.45Å; A112-K116 VanDerWaalsContact O-N 3.09Å; D113-K116 PolarHBondContact O-N 3.02Å; D113-K116 IonicContact OD1-NZ 3.42Å; D113-K116 PolarHBondContact OD1-NZ 3.04Å; D113-K116 VanDerWaalsContact OD1-NZ 3.14Å; F114-K116 VanDerWaalsContact C-N 3.32Å; F114-K116 PolarHBondContact O-N 3.38Å
117	A	77.4	Confident	70.1	Confident	73 Å²	73	58.6 Å²	58.6	60%	0.603	33%	0.331	S	S	*	.	H	α-helix	trans	-71.1	-40.2	-179.9	0	0	0	0	0	111.9	D113 F114 H119	D113-A117 PolarHBondContact O-N 3.38Å; F114-A117 PolarHBondContact O-N 2.89Å; A117-H119 PolarHBondContact O-N 2.93Å; A117-H119 PolarHBondContact O-ND1 3.34Å
118	M	66.9	Low	69.9	Low	70 Å²	70	60.1 Å²	60.1	35%	0.345	33%	0.326	S	S	.	.			trans	-80.6	106.7	175.9	-72.5	-117.9	157	0	0	110.3	F114 A120 V122	F114-M118 HydrophobicContact CD1-CG 4.28Å; F114-M118 HydrophobicContact CE1-CG 3.82Å; F114-M118 HydrophobicContact CE1-SD 4.13Å; F114-M118 HydrophobicContact CE2-CE 4.26Å; F114-M118 HydrophobicContact CE2-CG 4.37Å; F114-M118 HydrophobicContact CZ-CE 3.83Å; F114-M118 HydrophobicContact CZ-CG 3.86Å; F114-M118 HydrophobicContact CZ-SD 3.92Å; F114-M118 PolarHBondContact O-N 3.25Å; M118-A120 PolarHBondContact O-N 3.45Å; M118-V122 HydrophobicContact CB-CG2 4.07Å; M118-V122 HydrophobicContact SD-CG2 4.41Å
119	H	57.1	Low	69.7	Low	196 Å²	196	60 Å²	60	91%	0.907	33%	0.326	S	S	*	.			trans	-68.8	13.9	171.6	-68.6	60.5	0	0	0	113.2	A117	A117-H119 PolarHBondContact O-N 2.93Å; A117-H119 PolarHBondContact O-ND1 3.34Å
120	A	52.3	Low	69.6	Low	61 Å²	61	60.2 Å²	60.2	50%	0.504	33%	0.33	S	S	.	.	S	Bend	trans	-107.2	146.4	-179.3	0	0	0	0	0	109.7	M118 V122	M118-A120 PolarHBondContact O-N 3.45Å; A120-V122 PolarHBondContact O-N 3.48Å
121	N	52.6	Low	70.1	Confident	137 Å²	137	59.9 Å²	59.9	73%	0.733	33%	0.325	S	S	*	.			trans	-63.4	82.1	172.9	-88.3	13.1	0	0	0	110.8	D123	N121-D123 WeakPolarHBondContact CB-OD1 3.44Å; N121-D123 PolarHBondContact O-N 2.88Å
122	V	57.1	Low	70.5	Confident	21 Å²	21	59.6 Å²	59.6	13%	0.127	33%	0.325	C	S	.	.			trans	-81	67.4	166.4	-161.2	0	0	0	0	107.7	E61 F114 M118 A120 Q124 L125	E61-V122 HydrophobicContact CG-CG1 4.46Å; F114-V122 HydrophobicContact CE1-CG2 4.38Å; M118-V122 HydrophobicContact CB-CG2 4.07Å; M118-V122 HydrophobicContact SD-CG2 4.41Å; A120-V122 PolarHBondContact O-N 3.48Å; V122-Q124 PolarHBondContact O-N 2.94Å; V122-L125 HydrophobicContact CB-CD1 4.02Å; V122-L125 HydrophobicContact CB-CG 4.46Å; V122-L125 HydrophobicContact CG1-CD1 3.57Å; V122-L125 HydrophobicContact CG1-CG 3.69Å; V122-L125 PolarHBondContact O-N 2.97Å
123	D	58.3	Low	71.1	Confident	67 Å²	67	59.1 Å²	59.1	36%	0.358	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.1	-170.7	-68	-25.3	0	0	0	113.5	N121 R289	N121-D123 WeakPolarHBondContact CB-OD1 3.44Å; N121-D123 PolarHBondContact O-N 2.88Å; D123-R289 WeakPolarHBondContact O-CD 3.31Å; D123-R289 PolarHBondContact O-NE 3.42Å
124	Q	63.7	Low	71.5	Confident	78 Å²	78	56.9 Å²	56.9	36%	0.364	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-14.5	-173.1	-61.9	-175.5	25.5	0	0	114.6	E61 R64 V122	E61-Q124 HydrophobicContact CG-CB 4.16Å; E61-Q124 PolarHBondContact OE1-OE1 3.03Å; E61-Q124 PolarHBondContact OE2-OE1 3.12Å; R64-Q124 VanDerWaalsContact NH2-OE1 3.08Å; V122-Q124 PolarHBondContact O-N 2.94Å
125	L	74.3	Confident	72	Confident	2 Å²	2	55 Å²	55	1%	0.01	30%	0.298	C	S	.	.			trans	-75.4	133.8	-174	-69.8	172.6	0	0	0	112.3	D58 E61 K62 T111 F114 V115 V122 R289	D58-L125 HydrophobicContact CB-CD2 3.78Å; D58-L125 WeakPolarHBondContact OD1-CA 3.43Å; E61-L125 HydrophobicContact CB-CD2 4.06Å; E61-L125 HydrophobicContact CG-CD2 4.18Å; K62-L125 HydrophobicContact CG-CD2 4.28Å; T111-L125 HydrophobicContact CG2-CB 3.68Å; T111-L125 HydrophobicContact CG2-CD1 4Å; T111-L125 HydrophobicContact CG2-CD2 4.08Å; T111-L125 HydrophobicContact CG2-CG 4.12Å; F114-L125 HydrophobicContact CD1-CD1 3.73Å; F114-L125 HydrophobicContact CE1-CD1 4.22Å; V115-L125 HydrophobicContact CG2-CB 4.23Å; V115-L125 HydrophobicContact CG2-CD1 3.5Å; V115-L125 HydrophobicContact CG2-CG 4.48Å; V122-L125 HydrophobicContact CB-CD1 4.02Å; V122-L125 HydrophobicContact CB-CG 4.46Å; V122-L125 HydrophobicContact CG1-CD1 3.57Å; V122-L125 HydrophobicContact CG1-CG 3.69Å; V122-L125 PolarHBondContact O-N 2.97Å; L125-R289 WeakPolarHBondContact O-CD 3.08Å; L125-R289 PolarHBondContact O-NH1 2.85Å
126	I	71.5	Confident	72.9	Confident	9 Å²	9	52.3 Å²	52.3	5%	0.046	28%	0.281	C	S	.	.			trans	-101.9	-40.8	-168.5	-63.2	158.8	0	0	0	111.7	D58 Q128 R289 I291 R323	D58-I126 PolarHBondContact OD1-N 3.33Å; D58-I126 PolarHBondContact OD2-N 3.05Å; I126-Q128 PolarHBondContact O-N 2.95Å; I126-Q128 VanDerWaalsContact O-N 3.14Å; I126-R289 HydrophobicContact CG1-CB 4.31Å; I126-I291 HydrophobicContact CD1-CD1 3.93Å; I126-I291 HydrophobicContact CD1-CG1 3.59Å; I126-I291 HydrophobicContact CG1-CG1 4.25Å; I126-I291 HydrophobicContact CG2-CG1 4.37Å; I126-R323 VanDerWaalsContact O-CZ 3.29Å; I126-R323 PolarHBondContact O-NH1 2.75Å; I126-R323 PolarHBondContact O-NH2 3.43Å
127	G	69.5	Low	73.6	Confident	5 Å²	5	45.6 Å²	45.6	5%	0.052	25%	0.252	C	S	.	.			trans	-76.9	84.1	-169	0	0	0	0	0	115.5	D58 S109 T111	D58-G127 WeakPolarHBondContact OD2-CA 3.46Å; D58-G127 PolarHBondContact OD2-N 2.92Å; S109-G127 PolarHBondContact OG-O 3.12Å; T111-G127 VanDerWaalsContact CB-O 3.24Å; T111-G127 WeakPolarHBondContact CB-O 3.44Å; T111-G127 WeakPolarHBondContact CG2-O 3.22Å
128	Q	70.9	Confident	74.2	Confident	104 Å²	104	42.8 Å²	42.8	49%	0.486	23%	0.227	S	C	.	.			trans	-95.7	-28.2	-178.6	-64.6	-176.1	-12.7	0	0	115	I126 R289	I126-Q128 PolarHBondContact O-N 2.95Å; I126-Q128 VanDerWaalsContact O-N 3.14Å; Q128-R289 VanDerWaalsContact NE2-NH1 3.17Å
129	F	74.6	Confident	75.5	Confident	64 Å²	64	39.5 Å²	39.5	28%	0.281	21%	0.21	S	C	.	.	S	Bend	trans	-88.3	-24.4	-167.3	-59	-68.7	0	0	0	115.9	A107 V131 L319 L321 R323	A107-F129 WeakPolarHBondContact CA-O 3.27Å; F129-V131 HydrophobicContact CB-CG2 4.04Å; F129-V131 PolarHBondContact O-N 3.16Å; F129-L319 WeakPolarHBondContact CZ-O 3.46Å; F129-L321 HydrophobicContact CB-CD1 3.58Å; F129-L321 HydrophobicContact CD1-CD1 3.69Å; F129-L321 HydrophobicContact CD2-CD1 4.27Å; F129-L321 HydrophobicContact CE1-CD1 4.45Å; F129-L321 HydrophobicContact CG-CD1 3.6Å; F129-R323 HydrophobicContact CE2-CG 4.3Å
130	G	78.3	Confident	77.2	Confident	19 Å²	19	30.2 Å²	30.2	20%	0.196	17%	0.168	C	C	.	.	S	Bend	trans	72	24.7	-177.7	0	0	0	0	0	114.8	A107 K108	A107-G130 PolarHBondContact N-O 2.77Å; A107-G130 VanDerWaalsContact N-O 3.09Å; K108-G130 WeakPolarHBondContact O-CA 2.92Å
131	V	82.6	Confident	79.1	Confident	8 Å²	8	31.1 Å²	31.1	5%	0.048	16%	0.164	C	C	.	.			trans	-123	-11.3	176.5	-59.4	0	0	0	0	114	V37 L41 I106 A107 F129 F133 Y134 L321	V37-V131 HydrophobicContact CG2-CB 4.48Å; L41-V131 HydrophobicContact CD2-CG2 3.97Å; I106-V131 HydrophobicContact CG2-CG1 4.29Å; A107-V131 HydrophobicContact CB-CG1 4.31Å; F129-V131 HydrophobicContact CB-CG2 4.04Å; F129-V131 PolarHBondContact O-N 3.16Å; V131-F133 VanDerWaalsContact C-N 3.31Å; V131-F133 PolarHBondContact O-N 3.39Å; V131-Y134 PolarHBondContact O-N 2.98Å; V131-L321 HydrophobicContact CG2-CD1 3.59Å; V131-L321 HydrophobicContact CG2-CD2 4.49Å; V131-L321 HydrophobicContact CG2-CG 3.97Å
132	G	85.1	Confident	81.1	Confident	8 Å²	8	27.3 Å²	27.3	8%	0.082	14%	0.141	C	C	.	.	S	Bend	trans	-62.1	-34.1	-173.1	0	0	0	0	0	113.7	E51 Y134 S135	E51-G132 WeakPolarHBondContact CB-O 3.49Å; G132-Y134 PolarHBondContact O-N 3.35Å; G132-S135 WeakPolarHBondContact O-CB 3.48Å; G132-S135 PolarHBondContact O-N 3.07Å; G132-S135 PolarHBondContact O-OG 3.16Å
133	F	90.2	Very high	82.9	Confident	14 Å²	14	26.3 Å²	26.3	6%	0.061	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-59.2	-44.8	177.1	170.3	-107.6	0	0	0	112.5	L52 L103 V131 S135 A136 I143 V145 W159 I181	L52-F133 HydrophobicContact CD2-CD2 4.41Å; L103-F133 HydrophobicContact CD1-CZ 4.31Å; L103-F133 HydrophobicContact CD2-CB 4.3Å; L103-F133 HydrophobicContact CD2-CD1 3.81Å; L103-F133 HydrophobicContact CD2-CD2 4.13Å; L103-F133 HydrophobicContact CD2-CE1 4.12Å; L103-F133 HydrophobicContact CD2-CE2 4.43Å; L103-F133 HydrophobicContact CD2-CG 3.81Å; L103-F133 HydrophobicContact CD2-CZ 4.42Å; V131-F133 VanDerWaalsContact C-N 3.31Å; V131-F133 PolarHBondContact O-N 3.39Å; F133-S135 PolarHBondContact O-N 2.64Å; F133-S135 VanDerWaalsContact O-N 3.08Å; F133-A136 WeakPolarHBondContact O-CB 3.39Å; F133-A136 PolarHBondContact O-N 3.24Å; F133-A136 VanDerWaalsContact O-N 3.15Å; F133-I143 HydrophobicContact CE2-CG2 4.18Å; F133-I143 HydrophobicContact CZ-CG2 3.95Å; F133-V145 HydrophobicContact CE2-CG2 3.71Å; F133-V145 HydrophobicContact CZ-CG2 3.7Å; F133-W159 AromaticContact CE1-CH2 3.77Å; F133-W159 HydrophobicContact CE1-CH2 3.77Å; F133-W159 HydrophobicContact CE1-CZ2 4.4Å; F133-W159 HydrophobicContact CE1-CZ3 4.02Å; F133-W159 HydrophobicContact CZ-CE3 4.33Å; F133-W159 AromaticContact CZ-CH2 3.97Å; F133-W159 HydrophobicContact CZ-CH2 3.97Å; F133-W159 AromaticContact CZ-CZ3 3.71Å; F133-W159 HydrophobicContact CZ-CZ3 3.71Å; F133-I181 HydrophobicContact CD2-CD1 4.31Å; F133-I181 HydrophobicContact CE2-CD1 4.22Å; F133-I181 HydrophobicContact CE2-CG2 4.47Å
134	Y	88.6	Confident	84.8	Confident	11 Å²	11	24.5 Å²	24.5	4%	0.043	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-68.3	-10.8	-177	-51.4	-71.3	0	0	0	113.6	M34 L103 I106 V131 G132 A136 F137	M34-Y134 HydrophobicContact CE-CD1 3.58Å; M34-Y134 HydrophobicContact CE-CE1 4.3Å; M34-Y134 HydrophobicContact CE-CG 4.15Å; M34-Y134 HydrophobicContact SD-CD1 3.5Å; M34-Y134 VanDerWaalsContact SD-CD1 3.5Å; M34-Y134 HydrophobicContact SD-CD2 4.48Å; M34-Y134 HydrophobicContact SD-CE1 3.93Å; M34-Y134 HydrophobicContact SD-CG 3.8Å; L103-Y134 PolarHBondContact O-OH 2.81Å; I106-Y134 HydrophobicContact CB-CE2 4.26Å; I106-Y134 HydrophobicContact CG1-CE2 3.91Å; I106-Y134 HydrophobicContact CG2-CE2 4.33Å; V131-Y134 PolarHBondContact O-N 2.98Å; G132-Y134 PolarHBondContact O-N 3.35Å; Y134-A136 PolarHBondContact O-N 3.26Å; Y134-F137 HydrophobicContact CD1-CD2 4.3Å; Y134-F137 HydrophobicContact CD1-CE2 4.11Å; Y134-F137 WeakPolarHBondContact O-CB 3.49Å; Y134-F137 PolarHBondContact O-N 3.12Å
135	S	89.8	Confident	86.4	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-58.1	-25.3	170.8	73.1	0	0	0	0	112.6	Y42 F48 G132 F133 F137 M138	Y42-S135 VanDerWaalsContact CE2-CB 3.43Å; F48-S135 WeakPolarHBondContact CA-OG 3.06Å; F48-S135 WeakPolarHBondContact CB-O 3.31Å; G132-S135 WeakPolarHBondContact O-CB 3.48Å; G132-S135 PolarHBondContact O-N 3.07Å; G132-S135 PolarHBondContact O-OG 3.16Å; F133-S135 PolarHBondContact O-N 2.64Å; F133-S135 VanDerWaalsContact O-N 3.08Å; S135-F137 PolarHBondContact O-N 3.35Å; S135-M138 VanDerWaalsContact O-CB 3.23Å; S135-M138 WeakPolarHBondContact O-CB 3.21Å; S135-M138 WeakPolarHBondContact O-CE 3.44Å; S135-M138 WeakPolarHBondContact O-CG 3.5Å; S135-M138 PolarHBondContact O-N 3.4Å; S135-M138 VanDerWaalsContact O-N 3.09Å
136	A	92.7	Very high	87.5	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-65.8	-25	175.8	0	0	0	0	0	112.9	F48 L52 F133 Y134 M138 I139 A140 I143	F48-A136 HydrophobicContact CD2-CB 4.46Å; L52-A136 HydrophobicContact CD1-CB 4.39Å; L52-A136 HydrophobicContact CD2-CB 4.47Å; F133-A136 WeakPolarHBondContact O-CB 3.39Å; F133-A136 PolarHBondContact O-N 3.24Å; F133-A136 VanDerWaalsContact O-N 3.15Å; Y134-A136 PolarHBondContact O-N 3.26Å; A136-M138 PolarHBondContact O-N 2.92Å; A136-I139 WeakPolarHBondContact O-CG1 3.49Å; A136-I139 PolarHBondContact O-N 2.79Å; A136-I139 VanDerWaalsContact O-N 3.14Å; A136-A140 WeakPolarHBondContact O-CB 3.39Å; A136-A140 PolarHBondContact O-N 3.2Å; A136-I143 HydrophobicContact CB-CD1 3.41Å; A136-I143 VanDerWaalsContact CB-CD1 3.41Å
137	F	91.3	Very high	88.8	Confident	10 Å²	10	21.9 Å²	21.9	4%	0.044	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-71.2	-6.2	173.2	-70.4	-69.2	0	0	0	113.6	M34 A38 Y134 S135 I139 I143 W159 K186	M34-F137 HydrophobicContact CE-CD2 3.52Å; M34-F137 HydrophobicContact CE-CE2 3.73Å; M34-F137 HydrophobicContact CE-CG 4.28Å; A38-F137 HydrophobicContact CB-CB 4.46Å; Y134-F137 HydrophobicContact CD1-CD2 4.3Å; Y134-F137 HydrophobicContact CD1-CE2 4.11Å; Y134-F137 WeakPolarHBondContact O-CB 3.49Å; Y134-F137 PolarHBondContact O-N 3.12Å; S135-F137 PolarHBondContact O-N 3.35Å; F137-I139 PolarHBondContact O-N 3.49Å; F137-I143 HydrophobicContact CD1-CD1 3.77Å; F137-I143 HydrophobicContact CD1-CG1 4.06Å; F137-I143 HydrophobicContact CD2-CD1 3.82Å; F137-I143 HydrophobicContact CE1-CB 4.15Å; F137-I143 HydrophobicContact CE1-CD1 3.64Å; F137-I143 HydrophobicContact CE1-CG1 3.67Å; F137-I143 HydrophobicContact CE2-CD1 3.71Å; F137-I143 HydrophobicContact CG-CD1 3.85Å; F137-I143 HydrophobicContact CZ-CB 4.1Å; F137-I143 HydrophobicContact CZ-CD1 3.63Å; F137-I143 HydrophobicContact CZ-CG1 3.94Å; F137-W159 HydrophobicContact CZ-CH2 4.18Å; F137-K186 VanDerWaalsContact O-CE 3.31Å; F137-K186 WeakPolarHBondContact O-CE 3.5Å; F137-K186 PolarHBondContact O-NZ 2.94Å
138	M	90.7	Very high	90	Very high	15 Å²	15	24.6 Å²	24.6	7%	0.074	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-62.6	-36.8	167.3	-65.1	-163.4	-75.7	0	0	111.3	A38 Y42 K45 F48 S135 A136	A38-M138 VanDerWaalsContact O-CG 3.29Å; A38-M138 WeakPolarHBondContact O-CG 3.36Å; Y42-M138 HydrophobicContact CD2-CE 3.62Å; Y42-M138 HydrophobicContact CD2-SD 3.87Å; Y42-M138 HydrophobicContact CE2-CE 4.44Å; Y42-M138 HydrophobicContact CG-CE 3.96Å; Y42-M138 HydrophobicContact CG-SD 4.31Å; K45-M138 WeakPolarHBondContact O-CE 3.35Å; F48-M138 HydrophobicContact CB-CE 4.13Å; S135-M138 VanDerWaalsContact O-CB 3.23Å; S135-M138 WeakPolarHBondContact O-CB 3.21Å; S135-M138 WeakPolarHBondContact O-CE 3.44Å; S135-M138 WeakPolarHBondContact O-CG 3.5Å; S135-M138 PolarHBondContact O-N 3.4Å; S135-M138 VanDerWaalsContact O-N 3.09Å; A136-M138 PolarHBondContact O-N 2.92Å
139	I	93.6	Very high	91.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-13.1	-169	58.3	85.6	0	0	0	114	K45 F48 A136 F137 C183 L185 K186 E189 F192	K45-I139 HydrophobicContact CB-CG2 4.05Å; K45-I139 HydrophobicContact CD-CG2 4.34Å; F48-I139 HydrophobicContact CD1-CG1 3.7Å; F48-I139 HydrophobicContact CD1-CG2 4.03Å; F48-I139 HydrophobicContact CD2-CD1 4.05Å; F48-I139 HydrophobicContact CD2-CG1 3.89Å; F48-I139 HydrophobicContact CE1-CB 4.37Å; F48-I139 HydrophobicContact CE1-CD1 4.18Å; F48-I139 HydrophobicContact CE1-CG1 3.65Å; F48-I139 HydrophobicContact CE1-CG2 4.06Å; F48-I139 HydrophobicContact CE2-CD1 3.63Å; F48-I139 HydrophobicContact CE2-CG1 3.83Å; F48-I139 HydrophobicContact CG-CD1 4.48Å; F48-I139 HydrophobicContact CG-CG1 3.82Å; F48-I139 HydrophobicContact CZ-CD1 3.7Å; F48-I139 HydrophobicContact CZ-CG1 3.7Å; A136-I139 WeakPolarHBondContact O-CG1 3.49Å; A136-I139 PolarHBondContact O-N 2.79Å; A136-I139 VanDerWaalsContact O-N 3.14Å; F137-I139 PolarHBondContact O-N 3.49Å; I139-C183 HydrophobicContact CD1-CB 4Å; I139-L185 HydrophobicContact CD1-CD2 3.41Å; I139-L185 VanDerWaalsContact CD1-CD2 3.41Å; I139-L185 WeakPolarHBondContact O-CA 3.23Å; I139-K186 WeakPolarHBondContact O-CG 3.19Å; I139-K186 PolarHBondContact O-N 2.92Å; I139-E189 HydrophobicContact CB-CB 4.43Å; I139-E189 HydrophobicContact CB-CG 4.48Å; I139-F192 HydrophobicContact CB-CD2 4.15Å; I139-F192 HydrophobicContact CB-CE2 4.45Å; I139-F192 HydrophobicContact CG2-CD2 3.74Å; I139-F192 HydrophobicContact CG2-CE2 3.55Å; I139-F192 HydrophobicContact CG2-CZ 4.37Å
140	A	94	Very high	91.9	Very high	1 Å²	1	22 Å²	22	1%	0.008	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.7	179.5	0	0	0	0	0	112	A136 I143 C183 H184 K186	A136-A140 WeakPolarHBondContact O-CB 3.39Å; A136-A140 PolarHBondContact O-N 3.2Å; A140-I143 HydrophobicContact CB-CG1 3.98Å; A140-C183 HydrophobicContact CB-CB 4.05Å; A140-H184 CarbonylContact C-O 3.59Å; A140-H184 WeakPolarHBondContact CA-O 3.42Å; A140-H184 VanDerWaalsContact CB-O 3.29Å; A140-H184 WeakPolarHBondContact CB-O 3.32Å; A140-K186 WeakPolarHBondContact O-CE 3.24Å
141	D	91.6	Very high	92.4	Very high	81 Å²	81	24.8 Å²	24.8	43%	0.433	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-22.1	170.9	-75	-31.8	0	0	0	111.2	E162 H184 K186	D141-E162 CarbonylContact O-C 3.55Å; D141-E162 VanDerWaalsContact O-C 3.32Å; D141-E162 WeakPolarHBondContact O-CA 3.48Å; D141-H184 PolarHBondContact N-O 3.22Å; D141-K186 HydrophobicContact CB-CG 4.29Å; D141-K186 VanDerWaalsContact CG-CG 3.42Å; D141-K186 WeakPolarHBondContact OD1-CD 3.46Å; D141-K186 WeakPolarHBondContact OD1-CE 3.44Å; D141-K186 WeakPolarHBondContact OD1-CG 3.14Å; D141-K186 IonicContact OD1-NZ 2.6Å
142	K	94.5	Very high	92.5	Very high	56 Å²	56	31 Å²	31	24%	0.243	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135.6	176.1	-174.8	-175.6	63	152.7	0	110.2	E144 M160 S161 E162 H184	K142-E144 WeakPolarHBondContact CE-OE1 3.16Å; K142-E144 IonicContact NZ-OE1 2.79Å; K142-E144 PolarHBondContact NZ-OE1 2.85Å; K142-M160 HydrophobicContact CD-CG 4.37Å; K142-M160 HydrophobicContact CD-SD 4.13Å; K142-M160 HydrophobicContact CG-CG 4.34Å; K142-S161 WeakPolarHBondContact CA-O 3.28Å; K142-E162 HydrophobicContact CB-CG 4.42Å; K142-E162 HydrophobicContact CG-CG 4.24Å; K142-H184 HydrophobicContact CB-CB 4.06Å; K142-H184 WeakPolarHBondContact CE-CD2 3.37Å; K142-H184 WeakPolarHBondContact CE-NE2 3.45Å; K142-H184 PolarHBondContact NZ-NE2 3.49Å; K142-H184 WeakPolarHBondContact O-CB 3.33Å; K142-H184 PolarHBondContact O-CD2 2.64Å; K142-H184 PolarHBondContact O-N 3.15Å
143	I	95.8	Very high	92.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.6	175.4	-59.3	-178.6	0	0	0	108.8	F133 A136 F137 A140 V145 W159 M160 S161 I181 V182	F133-I143 HydrophobicContact CE2-CG2 4.18Å; F133-I143 HydrophobicContact CZ-CG2 3.95Å; A136-I143 HydrophobicContact CB-CD1 3.41Å; A136-I143 VanDerWaalsContact CB-CD1 3.41Å; F137-I143 HydrophobicContact CD1-CD1 3.77Å; F137-I143 HydrophobicContact CD1-CG1 4.06Å; F137-I143 HydrophobicContact CD2-CD1 3.82Å; F137-I143 HydrophobicContact CE1-CB 4.15Å; F137-I143 HydrophobicContact CE1-CD1 3.64Å; F137-I143 HydrophobicContact CE1-CG1 3.67Å; F137-I143 HydrophobicContact CE2-CD1 3.71Å; F137-I143 HydrophobicContact CG-CD1 3.85Å; F137-I143 HydrophobicContact CZ-CB 4.1Å; F137-I143 HydrophobicContact CZ-CD1 3.63Å; F137-I143 HydrophobicContact CZ-CG1 3.94Å; A140-I143 HydrophobicContact CB-CG1 3.98Å; I143-V145 HydrophobicContact CG2-CG2 4.1Å; I143-W159 HydrophobicContact CB-CZ3 4.29Å; I143-W159 HydrophobicContact CG2-CZ3 4.21Å; I143-M160 WeakPolarHBondContact O-CA 3.39Å; I143-S161 PolarHBondContact N-O 3.34Å; I143-S161 PolarHBondContact O-N 3.21Å; I143-I181 HydrophobicContact CG2-CG2 3.93Å; I143-V182 WeakPolarHBondContact CA-O 2.9Å
144	E	96.9	Very high	92.8	Very high	29 Å²	29	35.5 Å²	35.5	14%	0.136	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.2	170.2	-61	173.2	-138.8	0	0	109.1	K142 W159 M160 I181 V182 H184	K142-E144 WeakPolarHBondContact CE-OE1 3.16Å; K142-E144 IonicContact NZ-OE1 2.79Å; K142-E144 PolarHBondContact NZ-OE1 2.85Å; E144-W159 CarbonylContact C-O 3.53Å; E144-W159 WeakPolarHBondContact CA-O 3.36Å; E144-M160 HydrophobicContact CG-CB 4.47Å; E144-M160 HydrophobicContact CG-CG 4.06Å; E144-M160 HydrophobicContact CG-SD 4.49Å; E144-I181 CarbonylContact O-C 3.53Å; E144-I181 WeakPolarHBondContact O-CA 3.42Å; E144-V182 HydrophobicContact CB-CB 4.23Å; E144-V182 PolarHBondContact N-O 3.15Å; E144-V182 PolarHBondContact O-N 2.9Å; E144-H184 IonicContact OE1-CD2 3.7Å; E144-H184 IonicContact OE1-CE1 3.44Å; E144-H184 PolarHBondContact OE1-CE1 2.84Å; E144-H184 IonicContact OE1-NE2 2.74Å; E144-H184 PolarHBondContact OE1-NE2 3.01Å
145	V	97.5	Very high	93	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111.2	176	-178.3	0	0	0	0	108	M94 L103 F133 I143 R158 W159 T179 K180 I181	M94-V145 HydrophobicContact CE-CG1 4.13Å; L103-V145 HydrophobicContact CD1-CB 4.37Å; L103-V145 HydrophobicContact CD1-CG1 4.1Å; L103-V145 HydrophobicContact CD1-CG2 4.16Å; F133-V145 HydrophobicContact CE2-CG2 3.71Å; F133-V145 HydrophobicContact CZ-CG2 3.7Å; I143-V145 HydrophobicContact CG2-CG2 4.1Å; V145-R158 CarbonylContact O-C 3.42Å; V145-R158 WeakPolarHBondContact O-CA 3.14Å; V145-W159 HydrophobicContact CB-CB 4.21Å; V145-W159 HydrophobicContact CB-CE3 4.22Å; V145-W159 HydrophobicContact CG2-CE3 3.78Å; V145-W159 HydrophobicContact CG2-CZ3 4.27Å; V145-W159 PolarHBondContact N-O 3.39Å; V145-W159 PolarHBondContact O-N 3.04Å; V145-T179 HydrophobicContact CG1-CG2 3.55Å; V145-K180 CarbonylContact C-O 3.55Å; V145-K180 WeakPolarHBondContact CA-O 3.49Å; V145-I181 HydrophobicContact CG1-CG1 4.41Å; V145-I181 HydrophobicContact CG2-CG1 4.24Å; V145-I181 HydrophobicContact CG2-CG2 4.46Å
146	I	97.9	Very high	93.4	Very high	35 Å²	35	40.3 Å²	40.3	18%	0.179	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.3	175.8	-59.3	162.1	0	0	0	107.2	Y157 R158 V172 A175 T179 K180	I146-Y157 WeakPolarHBondContact CA-O 3.27Å; I146-R158 HydrophobicContact CG1-CB 4.31Å; I146-R158 HydrophobicContact CG1-CG 4Å; I146-V172 HydrophobicContact CG2-CG2 4.3Å; I146-A175 HydrophobicContact CG2-CB 3.91Å; I146-T179 CarbonylContact O-C 3.52Å; I146-K180 HydrophobicContact CB-CB 4.36Å; I146-K180 HydrophobicContact CD1-CD 4.47Å; I146-K180 PolarHBondContact N-O 2.99Å; I146-K180 PolarHBondContact O-N 3.49Å
147	T	97.9	Very high	93.6	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.9	-174	-171.4	0	0	0	0	112	M94 L99 G156 Y157 G178 T179	M94-T147 HydrophobicContact CB-CG2 3.89Å; M94-T147 HydrophobicContact CE-CG2 4.35Å; M94-T147 PolarHBondContact N-OG1 3.41Å; L99-T147 HydrophobicContact CD1-CG2 3.9Å; L99-T147 HydrophobicContact CD2-CG2 3.94Å; L99-T147 HydrophobicContact CG-CG2 4.11Å; T147-G156 WeakPolarHBondContact O-CA 3.38Å; T147-Y157 PolarHBondContact N-O 3.19Å; T147-Y157 PolarHBondContact O-N 2.72Å; T147-G178 VanDerWaalsContact CA-O 3.28Å; T147-G178 WeakPolarHBondContact CA-O 3.41Å; T147-G178 WeakPolarHBondContact CB-O 3.46Å; T147-G178 PolarHBondContact OG1-O 3.16Å; T147-T179 PolarHBondContact OG1-OG1 3.44Å
148	K	96.6	Very high	93.9	Very high	62 Å²	62	45.4 Å²	45.4	27%	0.27	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	123.4	169.8	179.6	177.6	179.2	174.4	0	108.7	S154 A175 E176 C177 G178	K148-S154 VanDerWaalsContact CE-O 3.23Å; K148-S154 WeakPolarHBondContact CE-O 3.37Å; K148-A175 HydrophobicContact CB-CB 3.98Å; K148-A175 WeakPolarHBondContact CD-O 3.01Å; K148-E176 WeakPolarHBondContact CB-O 3.26Å; K148-C177 WeakPolarHBondContact O-CA 3.37Å; K148-G178 PolarHBondContact N-O 3.35Å; K148-G178 VanDerWaalsContact N-O 3.1Å; K148-G178 PolarHBondContact O-N 3.2Å
149	K	94.4	Very high	94.2	Very high	54 Å²	54	44.9 Å²	44.9	24%	0.235	25%	0.246	C	C	.	.			trans	-63	141.9	175.4	-160.5	178.3	-173	-159	0	110.4	I92 M94 D151 S154	I92-K149 WeakPolarHBondContact O-CA 3.41Å; M94-K149 PolarHBondContact O-N 3.18Å; K149-D151 HydrophobicContact CD-CB 4.44Å; K149-D151 VanDerWaalsContact CD-OD2 3.3Å; K149-D151 WeakPolarHBondContact CD-OD2 3.34Å; K149-D151 WeakPolarHBondContact CE-OD2 3.16Å; K149-D151 HydrophobicContact CG-CB 4.5Å; K149-D151 IonicContact NZ-OD2 3.41Å; K149-D151 PolarHBondContact NZ-OD2 2.88Å; K149-D151 PolarHBondContact O-N 3.03Å; K149-S154 VanDerWaalsContact O-CB 3.22Å; K149-S154 WeakPolarHBondContact O-CB 3.19Å; K149-S154 PolarHBondContact O-OG 2.92Å
150	H	90.1	Very high	94.3	Very high	60 Å²	60	47.5 Å²	47.5	28%	0.278	26%	0.259	S	S	.	.	S	Bend	trans	-71.7	-8.1	-177.8	-160.5	-69.4	0	0	0	113.4	L63 Q67 I92	L63-H150 HydrophobicContact CD1-CB 4Å; Q67-H150 PolarHBondContact OE1-CE1 2.78Å; Q67-H150 PolarHBondContact OE1-ND1 3.18Å; Q67-H150 PolarHBondContact OE1-NE2 2.83Å; I92-H150 PolarHBondContact O-N 2.75Å
151	D	88.2	Confident	94.2	Very high	77 Å²	77	47.9 Å²	47.9	41%	0.412	26%	0.262	S	S	.	.	S	Bend	trans	-65.5	140.7	-179.9	-63.3	-16.8	0	0	0	111.6	K149 G153 S154	K149-D151 HydrophobicContact CD-CB 4.44Å; K149-D151 VanDerWaalsContact CD-OD2 3.3Å; K149-D151 WeakPolarHBondContact CD-OD2 3.34Å; K149-D151 WeakPolarHBondContact CE-OD2 3.16Å; K149-D151 HydrophobicContact CG-CB 4.5Å; K149-D151 IonicContact NZ-OD2 3.41Å; K149-D151 PolarHBondContact NZ-OD2 2.88Å; K149-D151 PolarHBondContact O-N 3.03Å; D151-G153 PolarHBondContact O-N 3.44Å; D151-S154 WeakPolarHBondContact CB-OG 3.45Å; D151-S154 VanDerWaalsContact O-CB 3.27Å; D151-S154 WeakPolarHBondContact O-CB 3.41Å; D151-S154 PolarHBondContact O-N 3.24Å; D151-S154 VanDerWaalsContact O-N 3.13Å; D151-S154 PolarHBondContact O-OG 3.17Å
152	P	85.6	Confident	94.1	Very high	138 Å²	138	50.7 Å²	50.7	90%	0.896	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	131.1	177.8	-26	34.1	0	0	0	112.9	S154	P152-S154 VanDerWaalsContact C-N 3.31Å; P152-S154 PolarHBondContact O-N 3.26Å
153	G	88.2	Confident	93.4	Very high	84 Å²	84	49.3 Å²	49.3	87%	0.866	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	2.1	179.2	0	0	0	0	0	115.3	D151	D151-G153 PolarHBondContact O-N 3.44Å
154	S	92.2	Very high	92.4	Very high	32 Å²	32	52.6 Å²	52.6	22%	0.224	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-62.8	137.8	176.4	-61.2	0	0	0	0	112.2	K148 K149 D151 P152	K148-S154 VanDerWaalsContact CE-O 3.23Å; K148-S154 WeakPolarHBondContact CE-O 3.37Å; K149-S154 VanDerWaalsContact O-CB 3.22Å; K149-S154 WeakPolarHBondContact O-CB 3.19Å; K149-S154 PolarHBondContact O-OG 2.92Å; D151-S154 WeakPolarHBondContact CB-OG 3.45Å; D151-S154 VanDerWaalsContact O-CB 3.27Å; D151-S154 WeakPolarHBondContact O-CB 3.41Å; D151-S154 PolarHBondContact O-N 3.24Å; D151-S154 VanDerWaalsContact O-N 3.13Å; D151-S154 PolarHBondContact O-OG 3.17Å; P152-S154 VanDerWaalsContact C-N 3.31Å; P152-S154 PolarHBondContact O-N 3.26Å
155	K	94.5	Very high	91.3	Very high	107 Å²	107	57.7 Å²	57.7	47%	0.465	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-82.9	156	172	-70.5	163.3	168.1	-110.8	0	110.7	Y157 E171	K155-Y157 HydrophobicContact CB-CE2 3.99Å; K155-E171 HydrophobicContact CB-CG 4.36Å; K155-E171 VanDerWaalsContact CD-OE1 3.3Å; K155-E171 WeakPolarHBondContact CD-OE1 3.47Å; K155-E171 WeakPolarHBondContact CE-OE1 3.44Å; K155-E171 WeakPolarHBondContact CG-OE1 3.48Å; K155-E171 IonicContact NZ-OE1 3.57Å; K155-E171 PolarHBondContact NZ-OE1 3.18Å; K155-E171 IonicContact NZ-OE2 2.65Å; K155-E171 PolarHBondContact NZ-OE2 3.38Å
156	G	96.7	Very high	90.7	Very high	6 Å²	6	62.4 Å²	62.4	6%	0.062	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	145.5	169.5	0	0	0	0	0	111.3	T147 E171 V172	T147-G156 WeakPolarHBondContact O-CA 3.38Å; G156-E171 WeakPolarHBondContact O-CA 3.42Å; G156-V172 VanDerWaalsContact C-CG2 3.49Å; G156-V172 WeakPolarHBondContact CA-O 3.33Å; G156-V172 PolarHBondContact O-N 3.42Å
157	Y	97.8	Very high	90.4	Very high	35 Å²	35	64.5 Å²	64.5	14%	0.137	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.1	174.9	-65.4	-77.6	0	0	0	111.3	K96 L99 I146 T147 K155 I169 E170 E171	K96-Y157 HydrophobicContact CB-CD1 4.35Å; K96-Y157 HydrophobicContact CB-CD2 4.23Å; K96-Y157 HydrophobicContact CB-CE1 4Å; K96-Y157 HydrophobicContact CB-CE2 3.85Å; K96-Y157 HydrophobicContact CB-CG 4.46Å; K96-Y157 HydrophobicContact CD-CE1 4.21Å; K96-Y157 HydrophobicContact CG-CE1 4.37Å; L99-Y157 HydrophobicContact CD1-CG 4.35Å; I146-Y157 WeakPolarHBondContact CA-O 3.27Å; T147-Y157 PolarHBondContact N-O 3.19Å; T147-Y157 PolarHBondContact O-N 2.72Å; K155-Y157 HydrophobicContact CB-CE2 3.99Å; Y157-I169 HydrophobicContact CD1-CG2 4Å; Y157-I169 HydrophobicContact CG-CG2 4.44Å; Y157-E170 CarbonylContact C-O 3.53Å; Y157-E170 VanDerWaalsContact CA-O 3.27Å; Y157-E170 WeakPolarHBondContact CA-O 3.36Å; Y157-E171 HydrophobicContact CD1-CB 4.45Å; Y157-E171 HydrophobicContact CE1-CB 4.27Å; Y157-E171 HydrophobicContact CE1-CG 4.48Å
158	R	97.4	Very high	90.2	Very high	81 Å²	81	70.7 Å²	70.7	31%	0.306	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.2	165.6	-177.7	-173.6	-60.5	153	5.1	108.7	V145 I146 I169 E170 V172	V145-R158 CarbonylContact O-C 3.42Å; V145-R158 WeakPolarHBondContact O-CA 3.14Å; I146-R158 HydrophobicContact CG1-CB 4.31Å; I146-R158 HydrophobicContact CG1-CG 4Å; R158-I169 CarbonylContact O-C 3.53Å; R158-I169 VanDerWaalsContact O-CA 3.3Å; R158-I169 WeakPolarHBondContact O-CA 3.48Å; R158-E170 HydrophobicContact CB-CG 3.83Å; R158-E170 WeakPolarHBondContact CD-OE1 3.45Å; R158-E170 IonicContact CZ-OE1 3.27Å; R158-E170 VanDerWaalsContact CZ-OE1 3.27Å; R158-E170 PolarHBondContact N-O 2.95Å; R158-E170 IonicContact NE-OE1 2.84Å; R158-E170 IonicContact NH1-OE1 2.73Å; R158-E170 PolarHBondContact NH1-OE1 3.48Å; R158-E170 PolarHBondContact O-N 2.87Å; R158-V172 HydrophobicContact CB-CG1 3.86Å
159	W	96.4	Very high	90.2	Very high	4 Å²	4	70 Å²	70	2%	0.015	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.8	167.9	176.7	103.6	0	0	0	108.9	L99 F133 F137 I143 E144 V145 Y167 E168 I169	L99-W159 HydrophobicContact CD1-CB 4.3Å; L99-W159 HydrophobicContact CD2-CB 4.03Å; L99-W159 HydrophobicContact CD2-CG 4.49Å; F133-W159 AromaticContact CE1-CH2 3.77Å; F133-W159 HydrophobicContact CE1-CH2 3.77Å; F133-W159 HydrophobicContact CE1-CZ2 4.4Å; F133-W159 HydrophobicContact CE1-CZ3 4.02Å; F133-W159 HydrophobicContact CZ-CE3 4.33Å; F133-W159 AromaticContact CZ-CH2 3.97Å; F133-W159 HydrophobicContact CZ-CH2 3.97Å; F133-W159 AromaticContact CZ-CZ3 3.71Å; F133-W159 HydrophobicContact CZ-CZ3 3.71Å; F137-W159 HydrophobicContact CZ-CH2 4.18Å; I143-W159 HydrophobicContact CB-CZ3 4.29Å; I143-W159 HydrophobicContact CG2-CZ3 4.21Å; E144-W159 CarbonylContact C-O 3.53Å; E144-W159 WeakPolarHBondContact CA-O 3.36Å; V145-W159 HydrophobicContact CB-CB 4.21Å; V145-W159 HydrophobicContact CB-CE3 4.22Å; V145-W159 HydrophobicContact CG2-CE3 3.78Å; V145-W159 HydrophobicContact CG2-CZ3 4.27Å; V145-W159 PolarHBondContact N-O 3.39Å; V145-W159 PolarHBondContact O-N 3.04Å; W159-Y167 AromaticContact CD1-CD2 3.42Å; W159-Y167 VanDerWaalsContact CD1-CD2 3.42Å; W159-Y167 AromaticContact CD1-CE2 3.98Å; W159-Y167 AromaticContact CD1-CG 3.97Å; W159-Y167 VanDerWaalsContact CE2-CB 3.49Å; W159-Y167 AromaticContact CE2-CD2 4Å; W159-Y167 AromaticContact CE2-CG 3.71Å; W159-Y167 HydrophobicContact CZ2-CD1 4.32Å; W159-Y167 AromaticContact CZ2-CG 3.98Å; W159-Y167 HydrophobicContact CZ2-CG 3.98Å; W159-Y167 AromaticContact NE1-CD1 3.84Å; W159-Y167 AromaticContact NE1-CD2 3Å; W159-Y167 AromaticContact NE1-CE2 3.64Å; W159-Y167 AromaticContact NE1-CG 3.11Å; W159-E168 CarbonylContact C-O 3.47Å; W159-E168 VanDerWaalsContact CA-O 3.24Å; W159-E168 WeakPolarHBondContact CA-O 3.32Å; W159-I169 HydrophobicContact CB-CG1 4.39Å; W159-I169 HydrophobicContact CG-CG1 4.42Å
160	M	95.3	Very high	90.3	Very high	55 Å²	55	72 Å²	72	27%	0.271	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	136.7	179.7	-177.6	179.7	67.7	0	0	110.7	K142 I143 E144 Y167 E168	K142-M160 HydrophobicContact CD-CG 4.37Å; K142-M160 HydrophobicContact CD-SD 4.13Å; K142-M160 HydrophobicContact CG-CG 4.34Å; I143-M160 WeakPolarHBondContact O-CA 3.39Å; E144-M160 HydrophobicContact CG-CB 4.47Å; E144-M160 HydrophobicContact CG-CG 4.06Å; E144-M160 HydrophobicContact CG-SD 4.49Å; M160-Y167 CarbonylContact O-C 3.54Å; M160-Y167 WeakPolarHBondContact O-CA 3.29Å; M160-Y167 WeakPolarHBondContact O-CB 3.36Å; M160-E168 VanDerWaalsContact CE-OE2 3.3Å; M160-E168 WeakPolarHBondContact CE-OE2 3.37Å; M160-E168 PolarHBondContact N-O 2.93Å; M160-E168 PolarHBondContact O-N 3.42Å
161	S	92.6	Very high	90.6	Very high	10 Å²	10	73.7 Å²	73.7	7%	0.07	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	145.7	171.6	-175	0	0	0	0	111.9	K142 I143 G163 C166	K142-S161 WeakPolarHBondContact CA-O 3.28Å; I143-S161 PolarHBondContact N-O 3.34Å; I143-S161 PolarHBondContact O-N 3.21Å; S161-G163 VanDerWaalsContact C-N 3.33Å; S161-G163 PolarHBondContact OG-N 3.03Å; S161-C166 PolarHBondContact OG-O 3.13Å
162	E	90	Very high	90.9	Very high	140 Å²	140	71 Å²	71	65%	0.654	40%	0.395	S	S	*	.			trans	-94.4	14.2	172.8	-60.6	-176.1	164.2	0	0	112.5	D141 K142 A164	D141-E162 CarbonylContact O-C 3.55Å; D141-E162 VanDerWaalsContact O-C 3.32Å; D141-E162 WeakPolarHBondContact O-CA 3.48Å; K142-E162 HydrophobicContact CB-CG 4.42Å; K142-E162 HydrophobicContact CG-CG 4.24Å; E162-A164 PolarHBondContact O-N 3Å
163	G	79.5	Confident	91	Very high	26 Å²	26	71.4 Å²	71.4	27%	0.268	39%	0.39	S	S	.	.	S	Bend	trans	73.8	10	-178.3	0	0	0	0	0	114	S161	S161-G163 VanDerWaalsContact C-N 3.33Å; S161-G163 PolarHBondContact OG-N 3.03Å
164	A	73.7	Confident	91	Very high	70 Å²	70	75.1 Å²	75.1	58%	0.579	39%	0.39	S	S	*	.	S	Bend	trans	-81.8	-155.2	172.2	0	0	0	0	0	111.3	E162 C166	E162-A164 PolarHBondContact O-N 3Å; A164-C166 VanDerWaalsContact C-N 3.34Å
165	E	75.6	Confident	90.9	Very high	135 Å²	135	74 Å²	74	63%	0.631	38%	0.382	S	S	*	.	S	Bend	trans	-78.2	-17.6	-175.2	-67.5	174.5	-166.4	0	0	113.7	R31	R31-E165 IonicContact NH1-OE1 3.93Å; R31-E165 PolarHBondContact NH1-OE1 3.47Å
166	C	84.4	Confident	90.8	Very high	99 Å²	99	75.3 Å²	75.3	67%	0.669	39%	0.39	S	S	*	.			trans	-125.7	160.5	-171.8	-61.4	0	0	0	0	112.7	S161 A164	S161-C166 PolarHBondContact OG-O 3.13Å; A164-C166 VanDerWaalsContact C-N 3.34Å
167	Y	91.2	Very high	90.7	Very high	79 Å²	79	77.5 Å²	77.5	31%	0.31	40%	0.404	S	S	.	.			trans	-138.1	155.6	168.4	60.1	-96.5	0	0	0	109.1	G104 W159 M160 I169	G104-Y167 VanDerWaalsContact CA-CE1 3.44Å; W159-Y167 AromaticContact CD1-CD2 3.42Å; W159-Y167 VanDerWaalsContact CD1-CD2 3.42Å; W159-Y167 AromaticContact CD1-CE2 3.98Å; W159-Y167 AromaticContact CD1-CG 3.97Å; W159-Y167 VanDerWaalsContact CE2-CB 3.49Å; W159-Y167 AromaticContact CE2-CD2 4Å; W159-Y167 AromaticContact CE2-CG 3.71Å; W159-Y167 HydrophobicContact CZ2-CD1 4.32Å; W159-Y167 AromaticContact CZ2-CG 3.98Å; W159-Y167 HydrophobicContact CZ2-CG 3.98Å; W159-Y167 AromaticContact NE1-CD1 3.84Å; W159-Y167 AromaticContact NE1-CD2 3Å; W159-Y167 AromaticContact NE1-CE2 3.64Å; W159-Y167 AromaticContact NE1-CG 3.11Å; M160-Y167 CarbonylContact O-C 3.54Å; M160-Y167 WeakPolarHBondContact O-CA 3.29Å; M160-Y167 WeakPolarHBondContact O-CB 3.36Å; Y167-I169 HydrophobicContact CD2-CD1 4.25Å; Y167-I169 HydrophobicContact CD2-CG1 4.04Å; Y167-I169 HydrophobicContact CE2-CD1 3.81Å; Y167-I169 HydrophobicContact CE2-CG1 4.1Å
168	E	94.1	Very high	90.6	Very high	131 Å²	131	75.9 Å²	75.9	61%	0.612	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	145.1	179.6	-63.4	179.6	176	0	0	109.7	W159 M160	W159-E168 CarbonylContact C-O 3.47Å; W159-E168 VanDerWaalsContact CA-O 3.24Å; W159-E168 WeakPolarHBondContact CA-O 3.32Å; M160-E168 VanDerWaalsContact CE-OE2 3.3Å; M160-E168 WeakPolarHBondContact CE-OE2 3.37Å; M160-E168 PolarHBondContact N-O 2.93Å; M160-E168 PolarHBondContact O-N 3.42Å
169	I	95.7	Very high	90.6	Very high	46 Å²	46	72.5 Å²	72.5	24%	0.236	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.7	173.9	-58.8	176.9	0	0	0	108.9	K96 L99 I100 Y157 R158 W159 Y167	K96-I169 HydrophobicContact CG-CG2 4.43Å; L99-I169 HydrophobicContact CB-CD1 3.91Å; L99-I169 HydrophobicContact CD1-CG2 4.28Å; I100-I169 HydrophobicContact CD1-CD1 4.4Å; I100-I169 HydrophobicContact CG1-CD1 3.63Å; Y157-I169 HydrophobicContact CD1-CG2 4Å; Y157-I169 HydrophobicContact CG-CG2 4.44Å; R158-I169 CarbonylContact O-C 3.53Å; R158-I169 VanDerWaalsContact O-CA 3.3Å; R158-I169 WeakPolarHBondContact O-CA 3.48Å; W159-I169 HydrophobicContact CB-CG1 4.39Å; W159-I169 HydrophobicContact CG-CG1 4.42Å; Y167-I169 HydrophobicContact CD2-CD1 4.25Å; Y167-I169 HydrophobicContact CD2-CG1 4.04Å; Y167-I169 HydrophobicContact CE2-CD1 3.81Å; Y167-I169 HydrophobicContact CE2-CG1 4.1Å
170	E	96.3	Very high	90.7	Very high	97 Å²	97	75.7 Å²	75.7	45%	0.453	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	154.3	173.7	64.2	177.1	-168.8	0	0	111.6	Y157 R158 V172	Y157-E170 CarbonylContact C-O 3.53Å; Y157-E170 VanDerWaalsContact CA-O 3.27Å; Y157-E170 WeakPolarHBondContact CA-O 3.36Å; R158-E170 HydrophobicContact CB-CG 3.83Å; R158-E170 WeakPolarHBondContact CD-OE1 3.45Å; R158-E170 IonicContact CZ-OE1 3.27Å; R158-E170 VanDerWaalsContact CZ-OE1 3.27Å; R158-E170 PolarHBondContact N-O 2.95Å; R158-E170 IonicContact NE-OE1 2.84Å; R158-E170 IonicContact NH1-OE1 2.73Å; R158-E170 PolarHBondContact NH1-OE1 3.48Å; R158-E170 PolarHBondContact O-N 2.87Å; E170-V172 HydrophobicContact CG-CG1 4.42Å
171	E	96.8	Very high	90.8	Very high	95 Å²	95	73.8 Å²	73.8	44%	0.444	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	140.1	172.8	-173.4	173.7	158.8	0	0	109.9	K155 G156 Y157	K155-E171 HydrophobicContact CB-CG 4.36Å; K155-E171 VanDerWaalsContact CD-OE1 3.3Å; K155-E171 WeakPolarHBondContact CD-OE1 3.47Å; K155-E171 WeakPolarHBondContact CE-OE1 3.44Å; K155-E171 WeakPolarHBondContact CG-OE1 3.48Å; K155-E171 IonicContact NZ-OE1 3.57Å; K155-E171 PolarHBondContact NZ-OE1 3.18Å; K155-E171 IonicContact NZ-OE2 2.65Å; K155-E171 PolarHBondContact NZ-OE2 3.38Å; G156-E171 WeakPolarHBondContact O-CA 3.42Å; Y157-E171 HydrophobicContact CD1-CB 4.45Å; Y157-E171 HydrophobicContact CE1-CB 4.27Å; Y157-E171 HydrophobicContact CE1-CG 4.48Å
172	V	94.6	Very high	91.1	Very high	22 Å²	22	74 Å²	74	13%	0.133	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	128	179.3	-69.8	0	0	0	0	111.2	I146 G156 R158 E170 N174 A175	I146-V172 HydrophobicContact CG2-CG2 4.3Å; G156-V172 VanDerWaalsContact C-CG2 3.49Å; G156-V172 WeakPolarHBondContact CA-O 3.33Å; G156-V172 PolarHBondContact O-N 3.42Å; R158-V172 HydrophobicContact CB-CG1 3.86Å; E170-V172 HydrophobicContact CG-CG1 4.42Å; V172-N174 PolarHBondContact O-N 3.35Å; V172-A175 HydrophobicContact CG2-CB 3.87Å
173	D	88.4	Confident	91.4	Very high	145 Å²	145	67.3 Å²	67.3	78%	0.775	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-33.7	-171.5	-66.4	-35.3	0	0	0	113.6
174	N	87.4	Confident	92.3	Very high	163 Å²	163	68.4 Å²	68.4	87%	0.872	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	30.7	-169.1	-63.8	-38.2	0	0	0	113.8	V172	V172-N174 PolarHBondContact O-N 3.35Å
175	A	91.2	Very high	93.3	Very high	8 Å²	8	65.8 Å²	65.8	7%	0.066	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-72.4	134.2	173.1	0	0	0	0	0	111.5	I146 K148 V172	I146-A175 HydrophobicContact CG2-CB 3.91Å; K148-A175 HydrophobicContact CB-CB 3.98Å; K148-A175 WeakPolarHBondContact CD-O 3.01Å; V172-A175 HydrophobicContact CG2-CB 3.87Å
176	E	92.9	Very high	94.2	Very high	135 Å²	135	62.1 Å²	62.1	63%	0.631	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-75.2	150.6	169.8	-63.1	-178.5	175.8	0	0	110.6	Q88 K148	Q88-E176 PolarHBondContact NE2-OE2 2.95Å; K148-E176 WeakPolarHBondContact CB-O 3.26Å
177	C	93.3	Very high	94.6	Very high	51 Å²	51	63 Å²	63	35%	0.345	32%	0.321	S	S	.	.	S	Bend	trans	-61.4	137.8	174.6	-66	0	0	0	0	110.8	K148	K148-C177 WeakPolarHBondContact O-CA 3.37Å
178	G	95.9	Very high	94.6	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	105	-147.7	-173.3	0	0	0	0	0	111.8	D89 G91 T147 K148	D89-G178 WeakPolarHBondContact O-CA 3.44Å; G91-G178 WeakPolarHBondContact O-CA 3.41Å; T147-G178 VanDerWaalsContact CA-O 3.28Å; T147-G178 WeakPolarHBondContact CA-O 3.41Å; T147-G178 WeakPolarHBondContact CB-O 3.46Å; T147-G178 PolarHBondContact OG1-O 3.16Å; K148-G178 PolarHBondContact N-O 3.35Å; K148-G178 VanDerWaalsContact N-O 3.1Å; K148-G178 PolarHBondContact O-N 3.2Å
179	T	98	Very high	94.6	Very high	11 Å²	11	57.2 Å²	57.2	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131.5	-174.2	-48.1	0	0	0	0	110.9	Q88 D89 M94 V145 I146 T147 I181	Q88-T179 CarbonylContact C-O 3.6Å; Q88-T179 VanDerWaalsContact CA-O 3.25Å; Q88-T179 WeakPolarHBondContact CA-O 3.28Å; D89-T179 PolarHBondContact N-O 3.49Å; D89-T179 PolarHBondContact O-N 3.39Å; D89-T179 WeakPolarHBondContact OD2-CB 3.22Å; M94-T179 HydrophobicContact CE-CG2 3.79Å; V145-T179 HydrophobicContact CG1-CG2 3.55Å; I146-T179 CarbonylContact O-C 3.52Å; T147-T179 PolarHBondContact OG1-OG1 3.44Å; T179-I181 HydrophobicContact CG2-CG1 4.05Å
180	K	98.1	Very high	94.4	Very high	70 Å²	70	58.5 Å²	58.5	30%	0.304	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117.6	171.1	177.4	-179.7	179	175.6	0	109.1	I86 Q88 V145 I146 V182	I86-K180 HydrophobicContact CG2-CD 4.29Å; I86-K180 HydrophobicContact CG2-CG 3.8Å; Q88-K180 HydrophobicContact CB-CB 4.28Å; Q88-K180 HydrophobicContact CB-CG 4.35Å; Q88-K180 HydrophobicContact CG-CB 3.98Å; Q88-K180 HydrophobicContact CG-CG 4.43Å; V145-K180 CarbonylContact C-O 3.55Å; V145-K180 WeakPolarHBondContact CA-O 3.49Å; I146-K180 HydrophobicContact CB-CB 4.36Å; I146-K180 HydrophobicContact CD1-CD 4.47Å; I146-K180 PolarHBondContact N-O 2.99Å; I146-K180 PolarHBondContact O-N 3.49Å; K180-V182 HydrophobicContact CG-CG2 4.31Å
181	I	97.8	Very high	94.3	Very high	15 Å²	15	57.8 Å²	57.8	8%	0.077	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121	177.5	-55.9	178.5	0	0	0	108.1	L52 I86 V87 F133 I143 E144 V145 T179	L52-I181 HydrophobicContact CD2-CD1 3.88Å; I86-I181 CarbonylContact C-O 3.53Å; I86-I181 VanDerWaalsContact CA-O 3.26Å; I86-I181 WeakPolarHBondContact CA-O 3.23Å; V87-I181 PolarHBondContact N-O 3.4Å; V87-I181 PolarHBondContact O-N 3.29Å; F133-I181 HydrophobicContact CD2-CD1 4.31Å; F133-I181 HydrophobicContact CE2-CD1 4.22Å; F133-I181 HydrophobicContact CE2-CG2 4.47Å; I143-I181 HydrophobicContact CG2-CG2 3.93Å; E144-I181 CarbonylContact O-C 3.53Å; E144-I181 WeakPolarHBondContact O-CA 3.42Å; V145-I181 HydrophobicContact CG1-CG1 4.41Å; V145-I181 HydrophobicContact CG2-CG1 4.24Å; V145-I181 HydrophobicContact CG2-CG2 4.46Å; T179-I181 HydrophobicContact CG2-CG1 4.05Å
182	V	97.6	Very high	94.2	Very high	15 Å²	15	53.3 Å²	53.3	9%	0.091	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	112.9	176	-174.6	0	0	0	0	108.5	V84 I86 I143 E144 K180	V84-V182 HydrophobicContact CB-CG1 4.28Å; V84-V182 HydrophobicContact CG1-CG1 4.14Å; I86-V182 HydrophobicContact CG1-CG1 4.21Å; I86-V182 HydrophobicContact CG1-CG2 4.25Å; I86-V182 HydrophobicContact CG2-CG2 4.45Å; I143-V182 WeakPolarHBondContact CA-O 2.9Å; E144-V182 HydrophobicContact CB-CB 4.23Å; E144-V182 PolarHBondContact N-O 3.15Å; E144-V182 PolarHBondContact O-N 2.9Å; K180-V182 HydrophobicContact CG-CG2 4.31Å
183	C	97.5	Very high	94.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	108.4	177	-63	0	0	0	0	109.3	V84 L85 I139 A140 L185	V84-C183 WeakPolarHBondContact CA-O 3.34Å; L85-C183 HydrophobicContact CB-CB 4.4Å; L85-C183 PolarHBondContact N-O 3.11Å; L85-C183 VanDerWaalsContact N-O 3.09Å; L85-C183 WeakPolarHBondContact O-CB 3Å; L85-C183 PolarHBondContact O-N 3.39Å; I139-C183 HydrophobicContact CD1-CB 4Å; A140-C183 HydrophobicContact CB-CB 4.05Å; C183-L185 HydrophobicContact CB-CD2 4.48Å; C183-L185 PolarHBondContact O-N 2.99Å
184	H	97	Very high	94.6	Very high	49 Å²	49	47.6 Å²	47.6	23%	0.227	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	105.8	174.3	-64	-99.2	0	0	0	109.5	A140 D141 K142 E144	A140-H184 CarbonylContact C-O 3.59Å; A140-H184 WeakPolarHBondContact CA-O 3.42Å; A140-H184 VanDerWaalsContact CB-O 3.29Å; A140-H184 WeakPolarHBondContact CB-O 3.32Å; D141-H184 PolarHBondContact N-O 3.22Å; K142-H184 HydrophobicContact CB-CB 4.06Å; K142-H184 WeakPolarHBondContact CE-CD2 3.37Å; K142-H184 WeakPolarHBondContact CE-NE2 3.45Å; K142-H184 PolarHBondContact NZ-NE2 3.49Å; K142-H184 WeakPolarHBondContact O-CB 3.33Å; K142-H184 PolarHBondContact O-CD2 2.64Å; K142-H184 PolarHBondContact O-N 3.15Å; E144-H184 IonicContact OE1-CD2 3.7Å; E144-H184 IonicContact OE1-CE1 3.44Å; E144-H184 PolarHBondContact OE1-CE1 2.84Å; E144-H184 IonicContact OE1-NE2 2.74Å; E144-H184 PolarHBondContact OE1-NE2 3.01Å
185	L	96.4	Very high	95	Very high	15 Å²	15	43.9 Å²	43.9	8%	0.079	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	140.1	-165.9	-56.8	177.6	0	0	0	112.2	K83 L85 I139 C183 F192 A193	K83-L185 HydrophobicContact CB-CB 4.49Å; K83-L185 VanDerWaalsContact O-CB 3.3Å; K83-L185 WeakPolarHBondContact O-CB 3.2Å; K83-L185 VanDerWaalsContact O-CG 3.25Å; K83-L185 WeakPolarHBondContact O-CG 3.06Å; K83-L185 PolarHBondContact O-N 3.35Å; L85-L185 HydrophobicContact CB-CD2 4.4Å; I139-L185 HydrophobicContact CD1-CD2 3.41Å; I139-L185 VanDerWaalsContact CD1-CD2 3.41Å; I139-L185 WeakPolarHBondContact O-CA 3.23Å; C183-L185 HydrophobicContact CB-CD2 4.48Å; C183-L185 PolarHBondContact O-N 2.99Å; L185-F192 HydrophobicContact CD1-CB 4.2Å; L185-F192 HydrophobicContact CD2-CB 4.22Å; L185-A193 HydrophobicContact CD1-CB 3.63Å
186	K	93.9	Very high	95.1	Very high	58 Å²	58	48.1 Å²	48.1	25%	0.252	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-65.5	157.2	176.3	-47.9	-168.1	177.7	169.4	0	111.4	F137 I139 A140 D141 G188 E189	F137-K186 VanDerWaalsContact O-CE 3.31Å; F137-K186 WeakPolarHBondContact O-CE 3.5Å; F137-K186 PolarHBondContact O-NZ 2.94Å; I139-K186 WeakPolarHBondContact O-CG 3.19Å; I139-K186 PolarHBondContact O-N 2.92Å; A140-K186 WeakPolarHBondContact O-CE 3.24Å; D141-K186 HydrophobicContact CB-CG 4.29Å; D141-K186 VanDerWaalsContact CG-CG 3.42Å; D141-K186 WeakPolarHBondContact OD1-CD 3.46Å; D141-K186 WeakPolarHBondContact OD1-CE 3.44Å; D141-K186 WeakPolarHBondContact OD1-CG 3.14Å; D141-K186 IonicContact OD1-NZ 2.6Å; K186-G188 PolarHBondContact O-N 2.73Å; K186-E189 HydrophobicContact CB-CG 3.89Å; K186-E189 HydrophobicContact CG-CG 4.43Å; K186-E189 PolarHBondContact O-N 2.73Å; K186-E189 VanDerWaalsContact O-N 3.08Å
187	P	91.6	Very high	95.2	Very high	116 Å²	116	44.6 Å²	44.6	75%	0.753	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	124.4	164.7	-23.7	34.1	0	0	0	111.2
188	G	92.1	Very high	95.3	Very high	67 Å²	67	42.1 Å²	42.1	69%	0.691	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	98	-14.3	-178.4	0	0	0	0	0	115.2	K186	K186-G188 PolarHBondContact O-N 2.73Å
189	E	93.9	Very high	95.3	Very high	22 Å²	22	46.5 Å²	46.5	10%	0.103	25%	0.251	C	S	.	.			trans	-98.5	17.7	-178.5	-53.6	-61.2	150.7	0	0	112.7	K45 I139 K186 E191 F192	K45-E189 WeakPolarHBondContact CD-OE2 3.36Å; K45-E189 IonicContact NZ-OE1 2.76Å; K45-E189 PolarHBondContact NZ-OE1 2.91Å; K45-E189 IonicContact NZ-OE2 2.6Å; K45-E189 PolarHBondContact NZ-OE2 3Å; I139-E189 HydrophobicContact CB-CB 4.43Å; I139-E189 HydrophobicContact CB-CG 4.48Å; K186-E189 HydrophobicContact CB-CG 3.89Å; K186-E189 HydrophobicContact CG-CG 4.43Å; K186-E189 PolarHBondContact O-N 2.73Å; K186-E189 VanDerWaalsContact O-N 3.08Å; E189-E191 PolarHBondContact O-N 2.96Å; E189-F192 HydrophobicContact CB-CD2 4.28Å; E189-F192 PolarHBondContact O-N 3.29Å; E189-F192 VanDerWaalsContact O-N 3.08Å
190	S	90.7	Very high	95	Very high	73 Å²	73	50.3 Å²	50.3	51%	0.51	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-63.9	-13.9	-176.4	55.1	0	0	0	0	114	F192 A193	S190-F192 PolarHBondContact O-N 3.24Å; S190-A193 PolarHBondContact O-N 2.96Å; S190-A193 VanDerWaalsContact O-N 3.08Å
191	E	94.7	Very high	94.8	Very high	82 Å²	82	47.1 Å²	47.1	38%	0.383	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-58	-28.9	171.2	68.7	169.2	128.9	0	0	112	E189 A193 D194 R197	E189-E191 PolarHBondContact O-N 2.96Å; E191-A193 VanDerWaalsContact C-N 3.28Å; E191-A193 PolarHBondContact O-N 3.31Å; E191-D194 VanDerWaalsContact O-CB 3.27Å; E191-D194 WeakPolarHBondContact O-CB 3.29Å; E191-D194 PolarHBondContact O-N 2.96Å; E191-D194 VanDerWaalsContact O-N 3.11Å; E191-R197 HydrophobicContact CB-CG 4.4Å; E191-R197 VanDerWaalsContact O-CB 3.31Å; E191-R197 WeakPolarHBondContact O-CB 3Å; E191-R197 WeakPolarHBondContact O-CG 3.3Å; E191-R197 IonicContact OE2-CZ 2.92Å; E191-R197 IonicContact OE2-NE 3.94Å; E191-R197 PolarHBondContact OE2-NE 3.35Å; E191-R197 IonicContact OE2-NH2 3.8Å
192	F	96.2	Very high	94.5	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-83.4	-2.7	178.8	-60.2	-64.8	0	0	0	113.8	K45 E46 F48 I139 L185 E189 S190 I198	K45-F192 HydrophobicContact CB-CE2 4.27Å; K45-F192 HydrophobicContact CB-CZ 4.08Å; E46-F192 HydrophobicContact CB-CE1 4.01Å; E46-F192 HydrophobicContact CB-CZ 4.39Å; F48-F192 HydrophobicContact CE1-CB 4.37Å; F48-F192 AromaticContact CE1-CD1 3.61Å; F48-F192 HydrophobicContact CE1-CD1 3.61Å; F48-F192 HydrophobicContact CE1-CD2 4.17Å; F48-F192 AromaticContact CE1-CE1 3.86Å; F48-F192 HydrophobicContact CE1-CE1 3.86Å; F48-F192 HydrophobicContact CE1-CE2 4.4Å; F48-F192 AromaticContact CE1-CG 3.77Å; F48-F192 HydrophobicContact CE1-CG 3.77Å; F48-F192 HydrophobicContact CE1-CZ 4.26Å; F48-F192 HydrophobicContact CZ-CB 4.17Å; F48-F192 HydrophobicContact CZ-CD1 4.11Å; F48-F192 HydrophobicContact CZ-CG 4.08Å; I139-F192 HydrophobicContact CB-CD2 4.15Å; I139-F192 HydrophobicContact CB-CE2 4.45Å; I139-F192 HydrophobicContact CG2-CD2 3.74Å; I139-F192 HydrophobicContact CG2-CE2 3.55Å; I139-F192 HydrophobicContact CG2-CZ 4.37Å; L185-F192 HydrophobicContact CD1-CB 4.2Å; L185-F192 HydrophobicContact CD2-CB 4.22Å; E189-F192 HydrophobicContact CB-CD2 4.28Å; E189-F192 PolarHBondContact O-N 3.29Å; E189-F192 VanDerWaalsContact O-N 3.08Å; S190-F192 PolarHBondContact O-N 3.24Å; F192-I198 HydrophobicContact CB-CD1 4.36Å; F192-I198 HydrophobicContact CD1-CD1 4.19Å
193	A	95.2	Very high	94.1	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-93.6	3	163.3	0	0	0	0	0	112.2	T78 D79 K80 L185 S190 E191	T78-A193 WeakPolarHBondContact CB-O 3.22Å; D79-A193 WeakPolarHBondContact O-CB 3.2Å; K80-A193 HydrophobicContact CG-CB 4.18Å; K80-A193 WeakPolarHBondContact CG-O 3.35Å; L185-A193 HydrophobicContact CD1-CB 3.63Å; S190-A193 PolarHBondContact O-N 2.96Å; S190-A193 VanDerWaalsContact O-N 3.08Å; E191-A193 VanDerWaalsContact C-N 3.28Å; E191-A193 PolarHBondContact O-N 3.31Å
194	D	94.8	Very high	93.5	Very high	46 Å²	46	51.9 Å²	51.9	25%	0.246	28%	0.278	C	S	.	.			trans	-90.9	124.1	174.8	-175.3	-85.4	0	0	0	111.6	K80 E191 Q196 R197 I198	K80-D194 WeakPolarHBondContact CE-OD2 3.2Å; K80-D194 IonicContact NZ-OD2 2.63Å; K80-D194 PolarHBondContact NZ-OD2 2.92Å; E191-D194 VanDerWaalsContact O-CB 3.27Å; E191-D194 WeakPolarHBondContact O-CB 3.29Å; E191-D194 PolarHBondContact O-N 2.96Å; E191-D194 VanDerWaalsContact O-N 3.11Å; D194-Q196 VanDerWaalsContact C-N 3.33Å; D194-Q196 PolarHBondContact O-N 2.96Å; D194-Q196 WeakPolarHBondContact OD1-CA 3.41Å; D194-Q196 VanDerWaalsContact OD1-CB 3.27Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.44Å; D194-Q196 PolarHBondContact OD1-N 3.42Å; D194-R197 HydrophobicContact CB-CB 4.02Å; D194-R197 PolarHBondContact O-N 3.48Å; D194-R197 PolarHBondContact OD1-N 3.15Å; D194-I198 WeakPolarHBondContact O-CG1 3.38Å; D194-I198 PolarHBondContact O-N 3.06Å
195	E	95.5	Very high	93	Very high	85 Å²	85	50.2 Å²	50.2	40%	0.397	27%	0.27	S	S	.	.	H	α-helix	trans	-58.3	-43.6	-179.9	-174.5	-178.1	146.8	0	0	112.4	R197 I198 K199 L215 N216	E195-R197 VanDerWaalsContact C-N 3.35Å; E195-R197 PolarHBondContact O-N 3.3Å; E195-I198 PolarHBondContact O-N 2.79Å; E195-K199 WeakPolarHBondContact O-CB 3.49Å; E195-K199 PolarHBondContact O-N 3.03Å; E195-L215 HydrophobicContact CG-CD1 4.49Å; E195-L215 HydrophobicContact CG-CD2 3.7Å; E195-L215 HydrophobicContact CG-CG 3.88Å; E195-L215 WeakPolarHBondContact O-CD2 3.34Å; E195-N216 WeakPolarHBondContact CG-ND2 3.23Å; E195-N216 PolarHBondContact OE2-ND2 3.45Å
196	Q	94.5	Very high	92.4	Very high	98 Å²	98	49.5 Å²	49.5	46%	0.458	27%	0.267	S	S	.	.	H	α-helix	trans	-66.2	-41.2	-177.5	176.1	59.6	27.1	0	0	110.7	D194 K199 E200	D194-Q196 VanDerWaalsContact C-N 3.33Å; D194-Q196 PolarHBondContact O-N 2.96Å; D194-Q196 WeakPolarHBondContact OD1-CA 3.41Å; D194-Q196 VanDerWaalsContact OD1-CB 3.27Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.44Å; D194-Q196 PolarHBondContact OD1-N 3.42Å; Q196-K199 WeakPolarHBondContact O-CB 3.41Å; Q196-K199 PolarHBondContact O-N 3.4Å; Q196-E200 PolarHBondContact NE2-OE1 3.23Å; Q196-E200 WeakPolarHBondContact O-CG 3.44Å; Q196-E200 PolarHBondContact O-N 3.32Å
197	R	94.9	Very high	92	Very high	60 Å²	60	47.2 Å²	47.2	23%	0.226	26%	0.257	C	S	.	.	H	α-helix	trans	-61.2	-47	174.8	-174.5	60.9	175.8	123.5	10.7	112	E46 E191 D194 E195 K199 E200 V201	E46-R197 IonicContact OE2-CZ 3.58Å; E46-R197 IonicContact OE2-NH1 2.72Å; E46-R197 PolarHBondContact OE2-NH1 2.94Å; E46-R197 IonicContact OE2-NH2 2.69Å; E46-R197 PolarHBondContact OE2-NH2 3Å; E191-R197 HydrophobicContact CB-CG 4.4Å; E191-R197 VanDerWaalsContact O-CB 3.31Å; E191-R197 WeakPolarHBondContact O-CB 3Å; E191-R197 WeakPolarHBondContact O-CG 3.3Å; E191-R197 IonicContact OE2-CZ 2.92Å; E191-R197 IonicContact OE2-NE 3.94Å; E191-R197 PolarHBondContact OE2-NE 3.35Å; E191-R197 IonicContact OE2-NH2 3.8Å; D194-R197 HydrophobicContact CB-CB 4.02Å; D194-R197 PolarHBondContact O-N 3.48Å; D194-R197 PolarHBondContact OD1-N 3.15Å; E195-R197 VanDerWaalsContact C-N 3.35Å; E195-R197 PolarHBondContact O-N 3.3Å; R197-K199 VanDerWaalsContact C-N 3.32Å; R197-K199 PolarHBondContact O-N 2.93Å; R197-E200 IonicContact NH1-OE2 3.98Å; R197-E200 WeakPolarHBondContact O-CB 3.43Å; R197-E200 PolarHBondContact O-N 2.99Å; R197-V201 WeakPolarHBondContact O-CG2 3.41Å; R197-V201 PolarHBondContact O-N 3.46Å; R197-V201 VanDerWaalsContact O-N 3.13Å
198	I	96.1	Very high	91.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-39.3	177.7	-67.3	-61.5	0	0	0	111.3	V49 I76 T78 L85 F192 D194 E195 E200 V201 L202 L215	V49-I198 HydrophobicContact CG2-CD1 3.98Å; I76-I198 HydrophobicContact CG2-CG2 4.05Å; T78-I198 HydrophobicContact CG2-CB 4.19Å; T78-I198 HydrophobicContact CG2-CG1 3.67Å; L85-I198 HydrophobicContact CD1-CD1 3.98Å; L85-I198 HydrophobicContact CD1-CG1 4.02Å; L85-I198 HydrophobicContact CD2-CD1 3.96Å; F192-I198 HydrophobicContact CB-CD1 4.36Å; F192-I198 HydrophobicContact CD1-CD1 4.19Å; D194-I198 WeakPolarHBondContact O-CG1 3.38Å; D194-I198 PolarHBondContact O-N 3.06Å; E195-I198 PolarHBondContact O-N 2.79Å; I198-E200 VanDerWaalsContact C-N 3.33Å; I198-E200 PolarHBondContact O-N 2.89Å; I198-V201 PolarHBondContact O-N 3.33Å; I198-L202 HydrophobicContact CG2-CD1 3.76Å; I198-L202 HydrophobicContact CG2-CG 4.17Å; I198-L202 WeakPolarHBondContact O-CB 3.46Å; I198-L202 VanDerWaalsContact O-CG 3.27Å; I198-L202 WeakPolarHBondContact O-CG 3.45Å; I198-L202 PolarHBondContact O-N 3.23Å; I198-L215 HydrophobicContact CB-CD1 4.28Å; I198-L215 HydrophobicContact CB-CD2 4.37Å; I198-L215 HydrophobicContact CG2-CD1 3.65Å; I198-L215 HydrophobicContact CG2-CD2 4.1Å
199	K	94.5	Very high	91.4	Very high	92 Å²	92	39.1 Å²	39.1	40%	0.4	19%	0.192	S	C	.	.	H	α-helix	trans	-59.7	-41.5	175.3	-173	177.4	178.9	179.2	0	112.5	E195 Q196 R197 L202 T203 L215 V220	E195-K199 WeakPolarHBondContact O-CB 3.49Å; E195-K199 PolarHBondContact O-N 3.03Å; Q196-K199 WeakPolarHBondContact O-CB 3.41Å; Q196-K199 PolarHBondContact O-N 3.4Å; R197-K199 VanDerWaalsContact C-N 3.32Å; R197-K199 PolarHBondContact O-N 2.93Å; K199-L202 PolarHBondContact O-N 3.26Å; K199-T203 WeakPolarHBondContact O-CB 3.44Å; K199-T203 PolarHBondContact O-N 2.8Å; K199-T203 PolarHBondContact O-OG1 3.09Å; K199-L215 HydrophobicContact CB-CD2 3.76Å; K199-V220 HydrophobicContact CG-CG1 4.39Å
200	E	92.3	Very high	90.9	Very high	92 Å²	92	40.2 Å²	40.2	43%	0.43	21%	0.205	S	C	.	.	H	α-helix	trans	-62.5	-45.3	175.1	-72.2	166.5	-169.1	0	0	111.7	Q196 R197 I198 T203 K204	Q196-E200 PolarHBondContact NE2-OE1 3.23Å; Q196-E200 WeakPolarHBondContact O-CG 3.44Å; Q196-E200 PolarHBondContact O-N 3.32Å; R197-E200 IonicContact NH1-OE2 3.98Å; R197-E200 WeakPolarHBondContact O-CB 3.43Å; R197-E200 PolarHBondContact O-N 2.99Å; I198-E200 VanDerWaalsContact C-N 3.33Å; I198-E200 PolarHBondContact O-N 2.89Å; E200-T203 PolarHBondContact O-N 3.13Å; E200-K204 WeakPolarHBondContact O-CB 3.4Å; E200-K204 PolarHBondContact O-N 3.03Å
201	V	93	Very high	90.8	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-43.9	178.2	177.9	0	0	0	0	111.2	E46 V49 R197 I198 K204 Y205	E46-V201 HydrophobicContact CB-CG1 4.14Å; E46-V201 HydrophobicContact CB-CG2 3.79Å; E46-V201 WeakPolarHBondContact O-CG1 3.39Å; V49-V201 HydrophobicContact CB-CG1 3.7Å; V49-V201 HydrophobicContact CG1-CG1 4.06Å; V49-V201 HydrophobicContact CG2-CG1 3.98Å; R197-V201 WeakPolarHBondContact O-CG2 3.41Å; R197-V201 PolarHBondContact O-N 3.46Å; R197-V201 VanDerWaalsContact O-N 3.13Å; I198-V201 PolarHBondContact O-N 3.33Å; V201-K204 PolarHBondContact O-N 2.91Å; V201-Y205 HydrophobicContact CG1-CD2 3.8Å; V201-Y205 HydrophobicContact CG1-CE2 4.11Å; V201-Y205 WeakPolarHBondContact O-CD2 3.44Å; V201-Y205 PolarHBondContact O-N 2.61Å
202	L	93	Very high	90.8	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-64.2	-40.8	176.2	-68.4	171.3	0	0	0	111.9	V49 V53 I76 I198 K199 K204 S206 N207 I213 L215 V220	V49-L202 HydrophobicContact CG1-CD2 3.76Å; V49-L202 HydrophobicContact CG1-CG 4.36Å; V53-L202 HydrophobicContact CG2-CD2 3.87Å; I76-L202 HydrophobicContact CD1-CD1 3.75Å; I76-L202 HydrophobicContact CD1-CD2 3.66Å; I76-L202 HydrophobicContact CD1-CG 4.29Å; I198-L202 HydrophobicContact CG2-CD1 3.76Å; I198-L202 HydrophobicContact CG2-CG 4.17Å; I198-L202 WeakPolarHBondContact O-CB 3.46Å; I198-L202 VanDerWaalsContact O-CG 3.27Å; I198-L202 WeakPolarHBondContact O-CG 3.45Å; I198-L202 PolarHBondContact O-N 3.23Å; K199-L202 PolarHBondContact O-N 3.26Å; L202-K204 VanDerWaalsContact C-N 3.27Å; L202-K204 PolarHBondContact O-N 3.14Å; L202-S206 CarbonylContact O-C 3.54Å; L202-S206 VanDerWaalsContact O-C 3.27Å; L202-S206 WeakPolarHBondContact O-CA 3.49Å; L202-S206 PolarHBondContact O-N 2.87Å; L202-N207 PolarHBondContact O-N 2.89Å; L202-I213 HydrophobicContact CD1-CG2 4.16Å; L202-I213 HydrophobicContact CD2-CG2 4.42Å; L202-L215 HydrophobicContact CD1-CB 4.47Å; L202-L215 HydrophobicContact CD1-CD2 4.41Å; L202-V220 HydrophobicContact CB-CG2 4.43Å; L202-V220 HydrophobicContact CD1-CG2 3.95Å
203	T	88.5	Confident	90.7	Very high	56 Å²	56	34.7 Å²	34.7	34%	0.344	17%	0.173	S	C	.	.	H	α-helix	trans	-64.6	-35.1	176.2	-56.3	0	0	0	0	111.4	K199 E200 N207	K199-T203 WeakPolarHBondContact O-CB 3.44Å; K199-T203 PolarHBondContact O-N 2.8Å; K199-T203 PolarHBondContact O-OG1 3.09Å; E200-T203 PolarHBondContact O-N 3.13Å; T203-N207 WeakPolarHBondContact O-CB 3.31Å
204	K	85.6	Confident	90.8	Very high	71 Å²	71	38 Å²	38	31%	0.309	19%	0.186	S	C	.	.	H	α-helix	trans	-71.3	-55.2	178.3	-176.3	174.3	175.8	-173.8	0	112.1	E46 E200 V201 L202 L292	E46-K204 IonicContact OE1-NZ 3.58Å; E46-K204 PolarHBondContact OE1-NZ 2.88Å; E200-K204 WeakPolarHBondContact O-CB 3.4Å; E200-K204 PolarHBondContact O-N 3.03Å; V201-K204 PolarHBondContact O-N 2.91Å; L202-K204 VanDerWaalsContact C-N 3.27Å; L202-K204 PolarHBondContact O-N 3.14Å; K204-L292 HydrophobicContact CG-CD2 3.99Å; K204-L292 WeakPolarHBondContact O-CD2 3.35Å
205	Y	85	Confident	90.9	Very high	14 Å²	14	35.8 Å²	35.8	6%	0.055	17%	0.174	C	C	.	.	H	α-helix	trans	-99.1	-30.7	-168.9	-61.1	-73.1	0	0	0	115	E46 R50 V201 L292	E46-Y205 HydrophobicContact CG-CE2 3.94Å; E46-Y205 VanDerWaalsContact OE1-CE2 3.26Å; E46-Y205 WeakPolarHBondContact OE1-CE2 3.46Å; E46-Y205 PolarHBondContact OE1-OH 2.99Å; R50-Y205 HydrophobicContact CB-CG 4.13Å; R50-Y205 HydrophobicContact CG-CG 4.35Å; V201-Y205 HydrophobicContact CG1-CD2 3.8Å; V201-Y205 HydrophobicContact CG1-CE2 4.11Å; V201-Y205 WeakPolarHBondContact O-CD2 3.44Å; V201-Y205 PolarHBondContact O-N 2.61Å; Y205-L292 HydrophobicContact CD1-CB 4.39Å; Y205-L292 HydrophobicContact CD1-CD2 4.32Å
206	S	84.8	Confident	90.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	17%	0.166	C	C	.	.	S	Bend	trans	-121.9	9.2	-162.4	-58.2	0	0	0	0	113.9	L202 F208 V209	L202-S206 CarbonylContact O-C 3.54Å; L202-S206 VanDerWaalsContact O-C 3.27Å; L202-S206 WeakPolarHBondContact O-CA 3.49Å; L202-S206 PolarHBondContact O-N 2.87Å; S206-F208 PolarHBondContact O-N 3.3Å; S206-V209 WeakPolarHBondContact O-CB 3.41Å; S206-V209 WeakPolarHBondContact O-CG2 3.42Å; S206-V209 PolarHBondContact O-N 2.85Å; S206-V209 VanDerWaalsContact O-N 3.16Å
207	N	85.2	Confident	90.8	Very high	9 Å²	9	34.6 Å²	34.6	5%	0.048	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20	-175.6	-165.9	51.3	0	0	0	114	L202 T203 V223 F245	L202-N207 PolarHBondContact O-N 2.89Å; T203-N207 WeakPolarHBondContact O-CB 3.31Å; N207-V223 WeakPolarHBondContact ND2-CG2 3.46Å; N207-F245 WeakPolarHBondContact ND2-CZ 3.43Å
208	F	85.4	Confident	90.7	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.018	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	10.9	-178	-59	-75.9	0	0	0	113.7	S206 V223 A225 W227 F242 F245 Y287 R290	S206-F208 PolarHBondContact O-N 3.3Å; F208-V223 HydrophobicContact CE1-CB 4.01Å; F208-V223 HydrophobicContact CE1-CG1 3.68Å; F208-V223 HydrophobicContact CZ-CG1 4.28Å; F208-A225 HydrophobicContact CB-CB 4.26Å; F208-A225 HydrophobicContact CD1-CB 4.02Å; F208-W227 HydrophobicContact CB-CH2 4.03Å; F208-W227 HydrophobicContact CB-CZ2 4.24Å; F208-W227 AromaticContact CD1-CH2 3.43Å; F208-W227 HydrophobicContact CD1-CH2 3.43Å; F208-W227 VanDerWaalsContact CD1-CH2 3.43Å; F208-W227 HydrophobicContact CD1-CZ2 4.32Å; F208-W227 AromaticContact CD1-CZ3 3.81Å; F208-W227 HydrophobicContact CD1-CZ3 3.81Å; F208-W227 AromaticContact CD2-CH2 3.53Å; F208-W227 HydrophobicContact CD2-CH2 3.53Å; F208-W227 HydrophobicContact CD2-CZ2 4.38Å; F208-W227 HydrophobicContact CD2-CZ3 4.39Å; F208-W227 AromaticContact CE1-CH2 3.61Å; F208-W227 HydrophobicContact CE1-CH2 3.61Å; F208-W227 AromaticContact CE1-CZ3 3.58Å; F208-W227 HydrophobicContact CE1-CZ3 3.58Å; F208-W227 AromaticContact CE2-CH2 3.71Å; F208-W227 HydrophobicContact CE2-CH2 3.71Å; F208-W227 HydrophobicContact CE2-CZ3 4.18Å; F208-W227 AromaticContact CG-CH2 3.37Å; F208-W227 HydrophobicContact CG-CH2 3.37Å; F208-W227 HydrophobicContact CG-CZ2 4.06Å; F208-W227 HydrophobicContact CG-CZ3 4.2Å; F208-W227 AromaticContact CZ-CH2 3.75Å; F208-W227 HydrophobicContact CZ-CH2 3.75Å; F208-W227 AromaticContact CZ-CZ3 3.78Å; F208-W227 HydrophobicContact CZ-CZ3 3.78Å; F208-F242 AromaticContact CE1-CE2 3.79Å; F208-F242 HydrophobicContact CE1-CE2 3.79Å; F208-F242 AromaticContact CZ-CE2 3.72Å; F208-F242 HydrophobicContact CZ-CE2 3.72Å; F208-F242 HydrophobicContact CZ-CZ 4.49Å; F208-F245 AromaticContact CE2-CE1 3.94Å; F208-F245 HydrophobicContact CE2-CE1 3.94Å; F208-F245 HydrophobicContact CZ-CD1 4.11Å; F208-F245 AromaticContact CZ-CE1 3.55Å; F208-F245 HydrophobicContact CZ-CE1 3.55Å; F208-F245 HydrophobicContact CZ-CZ 4.35Å; F208-Y287 AromaticContact CD2-CE1 3.64Å; F208-Y287 HydrophobicContact CD2-CE1 3.64Å; F208-Y287 AromaticContact CD2-CZ 3.86Å; F208-Y287 HydrophobicContact CE2-CE1 4.15Å; F208-Y287 AromaticContact CE2-CZ 3.86Å; F208-Y287 WeakPolarHBondContact CE2-OH 3.17Å; F208-R290 HydrophobicContact CB-CB 4.02Å; F208-R290 VanDerWaalsContact O-CB 3.3Å; F208-R290 WeakPolarHBondContact O-CB 3.35Å; F208-R290 WeakPolarHBondContact O-CD 3.49Å
209	V	85.5	Confident	90.5	Very high	10 Å²	10	40 Å²	40	6%	0.061	21%	0.205	C	C	.	.			trans	-55.7	140.2	172	169.7	0	0	0	0	109.5	V53 I74 S206 F211 I213 N221 I291	V53-V209 HydrophobicContact CG1-CG1 4.44Å; V53-V209 HydrophobicContact CG1-CG2 4.01Å; I74-V209 HydrophobicContact CD1-CG1 4.31Å; S206-V209 WeakPolarHBondContact O-CB 3.41Å; S206-V209 WeakPolarHBondContact O-CG2 3.42Å; S206-V209 PolarHBondContact O-N 2.85Å; S206-V209 VanDerWaalsContact O-N 3.16Å; V209-F211 PolarHBondContact O-N 2.9Å; V209-I213 HydrophobicContact CB-CD1 4.04Å; V209-I213 HydrophobicContact CG1-CD1 4.3Å; V209-I213 HydrophobicContact CG2-CD1 4.39Å; V209-N221 PolarHBondContact O-ND2 3.11Å; V209-I291 HydrophobicContact CG2-CD1 3.75Å
210	A	83.5	Confident	90.4	Very high	45 Å²	45	37 Å²	37	37%	0.372	19%	0.194	S	C	.	.	S	Bend	trans	-66.3	-22.7	-169.7	0	0	0	0	0	114.3
211	F	89.5	Confident	90	Very high	11 Å²	11	33 Å²	33	5%	0.048	18%	0.176	C	C	.	.	S	Bend	trans	-108.4	149.7	-174.7	-57.4	-73.3	0	0	0	112	S57 L60 E61 P72 V209 I213 N221	S57-F211 VanDerWaalsContact O-CE2 3.3Å; S57-F211 WeakPolarHBondContact O-CE2 3.16Å; S57-F211 WeakPolarHBondContact OG-CD2 3.33Å; L60-F211 HydrophobicContact CB-CD1 4.24Å; L60-F211 HydrophobicContact CB-CD2 3.85Å; L60-F211 HydrophobicContact CB-CE1 4.06Å; L60-F211 HydrophobicContact CB-CE2 3.67Å; L60-F211 HydrophobicContact CB-CG 4.13Å; L60-F211 HydrophobicContact CB-CZ 3.76Å; L60-F211 HydrophobicContact CD1-CB 3.69Å; L60-F211 HydrophobicContact CD1-CD1 4.18Å; L60-F211 HydrophobicContact CD1-CD2 3.77Å; L60-F211 HydrophobicContact CD1-CE2 4.46Å; L60-F211 HydrophobicContact CD1-CG 3.6Å; L60-F211 HydrophobicContact CG-CD2 4.47Å; E61-F211 HydrophobicContact CB-CE2 4.24Å; E61-F211 HydrophobicContact CB-CZ 4.21Å; E61-F211 WeakPolarHBondContact OE2-CZ 3.41Å; P72-F211 HydrophobicContact CB-CD1 3.58Å; P72-F211 HydrophobicContact CB-CE1 3.92Å; P72-F211 HydrophobicContact CB-CG 4.47Å; P72-F211 HydrophobicContact CG-CD1 3.75Å; P72-F211 HydrophobicContact CG-CE1 4.03Å; V209-F211 PolarHBondContact O-N 2.9Å; F211-I213 PolarHBondContact O-N 3.28Å; F211-N221 PolarHBondContact O-ND2 2.83Å
212	P	92.9	Very high	89	Confident	28 Å²	28	40.6 Å²	40.6	18%	0.182	21%	0.208	C	C	.	.			trans	-55.7	131.3	173.3	-23.9	33.3	0	0	0	112.8	P72 I74 Y214	P72-P212 WeakPolarHBondContact O-CD 3.41Å; I74-P212 PolarHBondContact N-O 3.25Å; P212-Y214 HydrophobicContact CB-CD2 4.42Å; P212-Y214 HydrophobicContact CB-CE2 3.7Å
213	I	95.5	Very high	88.2	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.1	173.6	-55.9	170.6	0	0	0	108.1	V53 I74 I76 L202 V209 F211 R219 V220 N221	V53-I213 HydrophobicContact CG1-CD1 3.87Å; I74-I213 HydrophobicContact CB-CG1 4.3Å; I74-I213 HydrophobicContact CD1-CG1 4.39Å; I74-I213 CarbonylContact O-C 3.31Å; I74-I213 VanDerWaalsContact O-CA 3.3Å; I74-I213 WeakPolarHBondContact O-CA 3.49Å; I76-I213 HydrophobicContact CD1-CG2 3.93Å; I76-I213 HydrophobicContact CG1-CG2 4.49Å; L202-I213 HydrophobicContact CD1-CG2 4.16Å; L202-I213 HydrophobicContact CD2-CG2 4.42Å; V209-I213 HydrophobicContact CB-CD1 4.04Å; V209-I213 HydrophobicContact CG1-CD1 4.3Å; V209-I213 HydrophobicContact CG2-CD1 4.39Å; F211-I213 PolarHBondContact O-N 3.28Å; I213-R219 WeakPolarHBondContact O-CA 3.36Å; I213-V220 HydrophobicContact CB-CG2 3.87Å; I213-V220 HydrophobicContact CG2-CG2 3.72Å; I213-V220 WeakPolarHBondContact O-CG2 3.39Å; I213-V220 PolarHBondContact O-N 2.82Å; I213-N221 WeakPolarHBondContact CB-OD1 3.48Å; I213-N221 HydrophobicContact CD1-CB 4.44Å; I213-N221 PolarHBondContact N-OD1 3.01Å
214	Y	96.7	Very high	87.8	Confident	69 Å²	69	45.5 Å²	45.5	27%	0.271	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.2	174.1	-64.8	-95.1	0	0	0	109.1	K73 I74 T75 I76 P212 A218 R219	K73-Y214 HydrophobicContact CB-CD2 4.29Å; K73-Y214 HydrophobicContact CB-CE2 4.11Å; I74-Y214 PolarHBondContact O-N 3.09Å; T75-Y214 CarbonylContact C-O 3.56Å; T75-Y214 WeakPolarHBondContact CA-O 3.23Å; I76-Y214 PolarHBondContact N-O 3.34Å; P212-Y214 HydrophobicContact CB-CD2 4.42Å; P212-Y214 HydrophobicContact CB-CE2 3.7Å; Y214-A218 CarbonylContact C-O 3.59Å; Y214-A218 WeakPolarHBondContact CA-O 3.37Å; Y214-R219 HydrophobicContact CD1-CB 4.13Å; Y214-R219 HydrophobicContact CE1-CB 3.97Å
215	L	96.9	Very high	87.7	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.5	172.4	175.2	63.2	0	0	0	107.6	I76 T78 E195 I198 K199 L202 D217 A218 V220	I76-L215 HydrophobicContact CB-CD1 4.06Å; I76-L215 HydrophobicContact CG2-CD1 3.8Å; I76-L215 CarbonylContact O-C 3.56Å; I76-L215 WeakPolarHBondContact O-CA 3.21Å; T78-L215 HydrophobicContact CG2-CD1 4.13Å; E195-L215 HydrophobicContact CG-CD1 4.49Å; E195-L215 HydrophobicContact CG-CD2 3.7Å; E195-L215 HydrophobicContact CG-CG 3.88Å; E195-L215 WeakPolarHBondContact O-CD2 3.34Å; I198-L215 HydrophobicContact CB-CD1 4.28Å; I198-L215 HydrophobicContact CB-CD2 4.37Å; I198-L215 HydrophobicContact CG2-CD1 3.65Å; I198-L215 HydrophobicContact CG2-CD2 4.1Å; K199-L215 HydrophobicContact CB-CD2 3.76Å; L202-L215 HydrophobicContact CD1-CB 4.47Å; L202-L215 HydrophobicContact CD1-CD2 4.41Å; L215-D217 PolarHBondContact O-N 3.01Å; L215-A218 PolarHBondContact N-O 3.44Å; L215-A218 WeakPolarHBondContact O-CB 3.49Å; L215-A218 PolarHBondContact O-N 2.73Å; L215-V220 HydrophobicContact CB-CG1 3.73Å; L215-V220 HydrophobicContact CD2-CG1 4.31Å
216	N	95.6	Very high	87.8	Confident	43 Å²	43	42.2 Å²	42.2	23%	0.23	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.2	52.5	-173	-60.1	-26.3	0	0	0	111.6	I76 Y77 T78 E195 A218	I76-N216 PolarHBondContact O-N 3.47Å; Y77-N216 WeakPolarHBondContact CA-OD1 3.38Å; T78-N216 PolarHBondContact N-OD1 3.16Å; T78-N216 PolarHBondContact OG1-ND2 2.73Å; E195-N216 WeakPolarHBondContact CG-ND2 3.23Å; E195-N216 PolarHBondContact OE2-ND2 3.45Å; N216-A218 PolarHBondContact O-N 3.26Å; N216-A218 VanDerWaalsContact O-N 3.1Å
217	D	91.8	Very high	87.8	Confident	115 Å²	115	42.2 Å²	42.2	62%	0.615	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	-2.5	-178.2	-49.7	-43.3	0	0	0	116.6	Y77 L215	Y77-D217 WeakPolarHBondContact CE1-OD1 3.49Å; Y77-D217 PolarHBondContact OH-OD1 2.78Å; L215-D217 PolarHBondContact O-N 3.01Å
218	A	93.8	Very high	87.8	Confident	49 Å²	49	45.4 Å²	45.4	41%	0.405	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126	175.1	0	0	0	0	0	112.3	Y214 L215 N216 V220	Y214-A218 CarbonylContact C-O 3.59Å; Y214-A218 WeakPolarHBondContact CA-O 3.37Å; L215-A218 PolarHBondContact N-O 3.44Å; L215-A218 WeakPolarHBondContact O-CB 3.49Å; L215-A218 PolarHBondContact O-N 2.73Å; N216-A218 PolarHBondContact O-N 3.26Å; N216-A218 VanDerWaalsContact O-N 3.1Å; A218-V220 PolarHBondContact O-N 3.32Å
219	R	92.4	Very high	87.7	Confident	125 Å²	125	45.8 Å²	45.8	47%	0.472	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	123.8	176.6	-176.5	176.2	174.3	178.3	1.2	111.7	I213 Y214 N221 K222	I213-R219 WeakPolarHBondContact O-CA 3.36Å; Y214-R219 HydrophobicContact CD1-CB 4.13Å; Y214-R219 HydrophobicContact CE1-CB 3.97Å; R219-N221 PolarHBondContact NE-O 2.83Å; R219-K222 WeakPolarHBondContact O-CE 3.36Å
220	V	90.9	Very high	87.6	Confident	27 Å²	27	48.5 Å²	48.5	16%	0.164	25%	0.247	C	C	.	.			trans	-101.5	-43.8	-175.1	-65.5	0	0	0	0	114.5	K199 L202 I213 L215 A218 K222	K199-V220 HydrophobicContact CG-CG1 4.39Å; L202-V220 HydrophobicContact CB-CG2 4.43Å; L202-V220 HydrophobicContact CD1-CG2 3.95Å; I213-V220 HydrophobicContact CB-CG2 3.87Å; I213-V220 HydrophobicContact CG2-CG2 3.72Å; I213-V220 WeakPolarHBondContact O-CG2 3.39Å; I213-V220 PolarHBondContact O-N 2.82Å; L215-V220 HydrophobicContact CB-CG1 3.73Å; L215-V220 HydrophobicContact CD2-CG1 4.31Å; A218-V220 PolarHBondContact O-N 3.32Å; V220-K222 PolarHBondContact O-N 2.8Å
221	N	84.2	Confident	87.5	Confident	10 Å²	10	49.1 Å²	49.1	5%	0.053	25%	0.247	C	C	.	.			trans	-86.2	96.2	-179	65.6	-31	0	0	0	110.9	V209 F211 I213 R219	V209-N221 PolarHBondContact O-ND2 3.11Å; F211-N221 PolarHBondContact O-ND2 2.83Å; I213-N221 WeakPolarHBondContact CB-OD1 3.48Å; I213-N221 HydrophobicContact CD1-CB 4.44Å; I213-N221 PolarHBondContact N-OD1 3.01Å; R219-N221 PolarHBondContact NE-O 2.83Å
222	K	73.3	Confident	87.3	Confident	160 Å²	160	57.9 Å²	57.9	70%	0.696	29%	0.285	S	S	*	.			trans	-104.5	-17.8	179.7	-63.4	-176.7	-177.3	179.7	0	113.5	R219 V220	R219-K222 WeakPolarHBondContact O-CE 3.36Å; V220-K222 PolarHBondContact O-N 2.8Å
223	V	75.8	Confident	87.1	Confident	46 Å²	46	63.2 Å²	63.2	28%	0.279	31%	0.307	S	S	.	.			trans	-85.5	121.7	-172.9	-168.1	0	0	0	0	109.9	N207 F208 F242 F245	N207-V223 WeakPolarHBondContact ND2-CG2 3.46Å; F208-V223 HydrophobicContact CE1-CB 4.01Å; F208-V223 HydrophobicContact CE1-CG1 3.68Å; F208-V223 HydrophobicContact CZ-CG1 4.28Å; V223-F242 HydrophobicContact CG1-CD2 4.19Å; V223-F245 HydrophobicContact CG2-CD2 4.22Å; V223-F245 HydrophobicContact CG2-CE2 4.25Å
224	Q	79.5	Confident	86.6	Confident	117 Å²	117	63.8 Å²	63.8	55%	0.547	31%	0.311	S	S	.	.			trans	-72.6	141.6	174	-169.7	175.4	14.1	0	0	110.3	L226 C229	Q224-L226 VanDerWaalsContact C-N 3.26Å; Q224-L226 HydrophobicContact CB-CD2 4.18Å; Q224-L226 PolarHBondContact O-N 3.5Å; Q224-C229 PolarHBondContact NE2-SG 2.8Å
225	A	84.3	Confident	86.3	Confident	7 Å²	7	64 Å²	64	6%	0.058	32%	0.319	C	S	.	.			trans	-70.5	80.3	172.9	0	0	0	0	0	110.4	F208 W227 R228 R290	F208-A225 HydrophobicContact CB-CB 4.26Å; F208-A225 HydrophobicContact CD1-CB 4.02Å; A225-W227 HydrophobicContact CB-CD2 4.17Å; A225-W227 HydrophobicContact CB-CE3 4.36Å; A225-W227 HydrophobicContact CB-CH2 4.02Å; A225-W227 HydrophobicContact CB-CZ2 3.76Å; A225-W227 HydrophobicContact CB-CZ3 4.27Å; A225-W227 PolarHBondContact O-N 3.27Å; A225-R228 HydrophobicContact CB-CB 4.34Å; A225-R228 HydrophobicContact CB-CG 4.17Å; A225-R228 WeakPolarHBondContact O-CA 3.37Å; A225-R228 WeakPolarHBondContact O-CB 3.47Å; A225-R228 PolarHBondContact O-N 3.05Å; A225-R290 HydrophobicContact CB-CG 4.45Å
226	L	85.6	Confident	85.9	Confident	9 Å²	9	70 Å²	70	5%	0.047	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-55.6	-30.9	-172.4	-62.6	-165.5	0	0	0	113.7	Q224 R228 C229 V234 M238 F242 F267	Q224-L226 VanDerWaalsContact C-N 3.26Å; Q224-L226 HydrophobicContact CB-CD2 4.18Å; Q224-L226 PolarHBondContact O-N 3.5Å; L226-R228 PolarHBondContact O-N 3.29Å; L226-C229 WeakPolarHBondContact O-CB 3.43Å; L226-C229 PolarHBondContact O-N 3.09Å; L226-V234 HydrophobicContact CB-CG1 4.46Å; L226-V234 HydrophobicContact CD1-CG1 3.97Å; L226-M238 HydrophobicContact CD1-CB 3.87Å; L226-M238 WeakPolarHBondContact CD1-O 3.32Å; L226-M238 HydrophobicContact CD2-CB 4.49Å; L226-M238 HydrophobicContact CD2-CE 3.59Å; L226-F242 HydrophobicContact CD1-CB 3.39Å; L226-F242 HydrophobicContact CD1-CD1 4.42Å; L226-F242 HydrophobicContact CD1-CD2 4.38Å; L226-F242 HydrophobicContact CD1-CG 3.83Å; L226-F242 HydrophobicContact CG-CB 4.19Å; L226-F242 HydrophobicContact CG-CD2 4.3Å; L226-F242 HydrophobicContact CG-CG 4.17Å; L226-F267 HydrophobicContact CB-CE1 4.44Å; L226-F267 HydrophobicContact CB-CE2 4.38Å; L226-F267 HydrophobicContact CB-CZ 3.86Å
227	W	86.2	Confident	85.6	Confident	1 Å²	1	72.3 Å²	72.3	0%	0.004	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-63.3	-22.5	176.5	61.9	91.4	0	0	0	113.5	F208 A225 F242 H259 F267 Y287 V311 D313	F208-W227 HydrophobicContact CB-CH2 4.03Å; F208-W227 HydrophobicContact CB-CZ2 4.24Å; F208-W227 AromaticContact CD1-CH2 3.43Å; F208-W227 HydrophobicContact CD1-CH2 3.43Å; F208-W227 VanDerWaalsContact CD1-CH2 3.43Å; F208-W227 HydrophobicContact CD1-CZ2 4.32Å; F208-W227 AromaticContact CD1-CZ3 3.81Å; F208-W227 HydrophobicContact CD1-CZ3 3.81Å; F208-W227 AromaticContact CD2-CH2 3.53Å; F208-W227 HydrophobicContact CD2-CH2 3.53Å; F208-W227 HydrophobicContact CD2-CZ2 4.38Å; F208-W227 HydrophobicContact CD2-CZ3 4.39Å; F208-W227 AromaticContact CE1-CH2 3.61Å; F208-W227 HydrophobicContact CE1-CH2 3.61Å; F208-W227 AromaticContact CE1-CZ3 3.58Å; F208-W227 HydrophobicContact CE1-CZ3 3.58Å; F208-W227 AromaticContact CE2-CH2 3.71Å; F208-W227 HydrophobicContact CE2-CH2 3.71Å; F208-W227 HydrophobicContact CE2-CZ3 4.18Å; F208-W227 AromaticContact CG-CH2 3.37Å; F208-W227 HydrophobicContact CG-CH2 3.37Å; F208-W227 HydrophobicContact CG-CZ2 4.06Å; F208-W227 HydrophobicContact CG-CZ3 4.2Å; F208-W227 AromaticContact CZ-CH2 3.75Å; F208-W227 HydrophobicContact CZ-CH2 3.75Å; F208-W227 AromaticContact CZ-CZ3 3.78Å; F208-W227 HydrophobicContact CZ-CZ3 3.78Å; A225-W227 HydrophobicContact CB-CD2 4.17Å; A225-W227 HydrophobicContact CB-CE3 4.36Å; A225-W227 HydrophobicContact CB-CH2 4.02Å; A225-W227 HydrophobicContact CB-CZ2 3.76Å; A225-W227 HydrophobicContact CB-CZ3 4.27Å; A225-W227 PolarHBondContact O-N 3.27Å; W227-F242 HydrophobicContact CE3-CE1 4.23Å; W227-F242 HydrophobicContact CE3-CE2 4.04Å; W227-F242 AromaticContact CE3-CZ 3.53Å; W227-F242 HydrophobicContact CE3-CZ 3.53Å; W227-F242 HydrophobicContact CZ3-CE1 4.41Å; W227-F242 AromaticContact CZ3-CE2 3.55Å; W227-F242 HydrophobicContact CZ3-CE2 3.55Å; W227-F242 AromaticContact CZ3-CZ 3.32Å; W227-F242 HydrophobicContact CZ3-CZ 3.32Å; W227-H259 PolarHBondContact O-NE2 2.94Å; W227-F267 HydrophobicContact CB-CB 4.26Å; W227-F267 HydrophobicContact CB-CD2 3.57Å; W227-F267 HydrophobicContact CB-CE2 4.11Å; W227-F267 HydrophobicContact CB-CG 4.2Å; W227-Y287 HydrophobicContact CZ2-CD1 4.4Å; W227-Y287 HydrophobicContact CZ2-CG 4.4Å; W227-V311 HydrophobicContact CD2-CG1 3.85Å; W227-V311 HydrophobicContact CE3-CB 4.15Å; W227-V311 HydrophobicContact CE3-CG1 3.89Å; W227-V311 HydrophobicContact CE3-CG2 4.42Å; W227-V311 HydrophobicContact CG-CG1 4.46Å; W227-V311 HydrophobicContact CH2-CG1 3.96Å; W227-V311 HydrophobicContact CH2-CG2 4.44Å; W227-V311 HydrophobicContact CZ2-CG1 3.97Å; W227-V311 HydrophobicContact CZ3-CB 4.25Å; W227-V311 HydrophobicContact CZ3-CG1 3.97Å; W227-V311 HydrophobicContact CZ3-CG2 4.07Å; W227-D313 PolarHBondContact NE1-OD2 3.45Å
228	R	83.7	Confident	85.4	Confident	75 Å²	75	69.1 Å²	69.1	28%	0.283	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-91.4	-7.4	174.2	-63.2	-63.4	-167.6	146.6	-3.9	113.7	A225 L226 R261 R290 D313 E315	A225-R228 HydrophobicContact CB-CB 4.34Å; A225-R228 HydrophobicContact CB-CG 4.17Å; A225-R228 WeakPolarHBondContact O-CA 3.37Å; A225-R228 WeakPolarHBondContact O-CB 3.47Å; A225-R228 PolarHBondContact O-N 3.05Å; L226-R228 PolarHBondContact O-N 3.29Å; R228-R261 PolarHBondContact O-NH2 3.3Å; R228-R290 HydrophobicContact CG-CG 4.44Å; R228-D313 IonicContact CZ-OD2 3.46Å; R228-D313 IonicContact NE-OD2 2.73Å; R228-D313 PolarHBondContact NE-OD2 3.08Å; R228-D313 IonicContact NH2-OD1 3.87Å; R228-D313 PolarHBondContact NH2-OD1 3.06Å; R228-D313 IonicContact NH2-OD2 2.8Å; R228-D313 PolarHBondContact NH2-OD2 3.22Å; R228-E315 IonicContact CZ-OE1 2.64Å; R228-E315 IonicContact NH1-OE1 3.69Å; R228-E315 PolarHBondContact NH1-OE1 3.38Å; R228-E315 IonicContact NH2-OE1 3.47Å; R228-E315 PolarHBondContact NH2-OE1 2.94Å
229	C	83.5	Confident	85.1	Confident	12 Å²	12	67.5 Å²	67.5	8%	0.081	33%	0.327	C	S	.	.	S	Bend	trans	-80.2	151.3	170.7	-56.9	0	0	0	0	110.2	Q224 L226 V234 H259 R261	Q224-C229 PolarHBondContact NE2-SG 2.8Å; L226-C229 WeakPolarHBondContact O-CB 3.43Å; L226-C229 PolarHBondContact O-N 3.09Å; C229-V234 HydrophobicContact CB-CG2 3.56Å; C229-H259 PolarHBondContact O-CE1 2.89Å; C229-R261 PolarHBondContact O-NH2 3.48Å
230	D	83.3	Confident	84.9	Confident	68 Å²	68	64 Å²	64	36%	0.364	32%	0.315	S	S	.	.			trans	-58.6	129	171.4	-172	-51.3	0	0	0	107.9	K232 E233 V234	D230-K232 PolarHBondContact O-N 3.26Å; D230-K232 WeakPolarHBondContact OD1-CB 3.4Å; D230-K232 WeakPolarHBondContact OD1-CG 3.32Å; D230-K232 PolarHBondContact OD1-N 2.92Å; D230-E233 HydrophobicContact CB-CB 4.47Å; D230-E233 HydrophobicContact CB-CG 4.07Å; D230-E233 PolarHBondContact O-N 3.22Å; D230-V234 PolarHBondContact O-N 2.91Å
231	P	83	Confident	84.7	Confident	58 Å²	58	68.4 Å²	68.4	38%	0.377	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-25.9	178.7	-25.2	30.5	0	0	0	114.4	H259	P231-H259 WeakPolarHBondContact CB-ND1 3.37Å
232	K	85.2	Confident	84.8	Confident	194 Å²	194	68.1 Å²	68.1	84%	0.843	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-22.6	177.1	-63.1	176.6	-179.7	176.4	0	114	D230	D230-K232 PolarHBondContact O-N 3.26Å; D230-K232 WeakPolarHBondContact OD1-CB 3.4Å; D230-K232 WeakPolarHBondContact OD1-CG 3.32Å; D230-K232 PolarHBondContact OD1-N 2.92Å
233	E	86.9	Confident	85.4	Confident	141 Å²	141	61 Å²	61	66%	0.659	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-11.9	179.2	-65.2	176.3	167.5	0	0	112.2	D230	D230-E233 HydrophobicContact CB-CB 4.47Å; D230-E233 HydrophobicContact CB-CG 4.07Å; D230-E233 PolarHBondContact O-N 3.22Å
234	V	86.3	Confident	85.9	Confident	12 Å²	12	62.2 Å²	62.2	7%	0.073	30%	0.301	C	S	.	.			trans	-90.1	116.9	179.3	-171.3	0	0	0	0	109.3	L226 C229 D230 M238 H239	L226-V234 HydrophobicContact CB-CG1 4.46Å; L226-V234 HydrophobicContact CD1-CG1 3.97Å; C229-V234 HydrophobicContact CB-CG2 3.56Å; D230-V234 PolarHBondContact O-N 2.91Å; V234-M238 HydrophobicContact CG1-CB 3.93Å; V234-H239 WeakPolarHBondContact CG1-NE2 3.33Å
235	T	90.2	Very high	86	Confident	74 Å²	74	59.8 Å²	59.8	45%	0.454	29%	0.288	S	S	.	.			trans	-81.3	161.6	177.7	69.2	0	0	0	0	111.6	E237 M238 H239	T235-E237 PolarHBondContact O-N 3.36Å; T235-M238 HydrophobicContact CG2-SD 4.19Å; T235-M238 WeakPolarHBondContact O-CB 3.31Å; T235-M238 PolarHBondContact O-N 3.23Å; T235-M238 VanDerWaalsContact OG1-CG 3.28Å; T235-M238 WeakPolarHBondContact OG1-CG 3.43Å; T235-M238 PolarHBondContact OG1-N 2.88Å; T235-H239 PolarHBondContact O-CD2 3.5Å; T235-H239 VanDerWaalsContact O-CD2 3.31Å; T235-H239 PolarHBondContact O-N 2.87Å
236	D	87.9	Confident	86	Confident	127 Å²	127	60.5 Å²	60.5	68%	0.679	29%	0.292	S	S	*	.	H	α-helix	trans	-58.7	-34	174.3	-73.5	-20.8	0	0	0	112.3	H239 K240	D236-H239 WeakPolarHBondContact O-CB 3.48Å; D236-H239 PolarHBondContact O-N 2.86Å; D236-K240 WeakPolarHBondContact O-CG 3.28Å; D236-K240 PolarHBondContact O-N 3.01Å
237	E	89	Confident	85.6	Confident	91 Å²	91	61.2 Å²	61.2	43%	0.425	30%	0.297	S	S	.	.	H	α-helix	trans	-68.4	-42.5	177.2	-163.7	59.6	-143.5	0	0	111.4	T235 H239 K240 E241	T235-E237 PolarHBondContact O-N 3.36Å; E237-H239 PolarHBondContact O-N 3.07Å; E237-K240 WeakPolarHBondContact O-CB 3.37Å; E237-K240 PolarHBondContact O-N 3.19Å; E237-E241 WeakPolarHBondContact O-CG 3.47Å; E237-E241 PolarHBondContact O-N 3.48Å
238	M	88.7	Confident	85.3	Confident	49 Å²	49	68.6 Å²	68.6	24%	0.241	33%	0.332	C	S	.	.	H	α-helix	trans	-58.9	-40.3	172.6	-66.6	167	78.2	0	0	110.6	L226 V234 T235 F242	L226-M238 HydrophobicContact CD1-CB 3.87Å; L226-M238 WeakPolarHBondContact CD1-O 3.32Å; L226-M238 HydrophobicContact CD2-CB 4.49Å; L226-M238 HydrophobicContact CD2-CE 3.59Å; V234-M238 HydrophobicContact CG1-CB 3.93Å; T235-M238 HydrophobicContact CG2-SD 4.19Å; T235-M238 WeakPolarHBondContact O-CB 3.31Å; T235-M238 PolarHBondContact O-N 3.23Å; T235-M238 VanDerWaalsContact OG1-CG 3.28Å; T235-M238 WeakPolarHBondContact OG1-CG 3.43Å; T235-M238 PolarHBondContact OG1-N 2.88Å; M238-F242 VanDerWaalsContact O-CB 3.25Å; M238-F242 WeakPolarHBondContact O-CB 3.44Å; M238-F242 PolarHBondContact O-N 3.38Å
239	H	87.7	Confident	85.1	Confident	14 Å²	14	66.8 Å²	66.8	7%	0.065	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-39.8	173.8	-79.6	-64.7	0	0	0	113.1	V234 T235 D236 E237 Y243 T257 F267 Y269	V234-H239 WeakPolarHBondContact CG1-NE2 3.33Å; T235-H239 PolarHBondContact O-CD2 3.5Å; T235-H239 VanDerWaalsContact O-CD2 3.31Å; T235-H239 PolarHBondContact O-N 2.87Å; D236-H239 WeakPolarHBondContact O-CB 3.48Å; D236-H239 PolarHBondContact O-N 2.86Å; E237-H239 PolarHBondContact O-N 3.07Å; H239-Y243 VanDerWaalsContact O-CB 3.26Å; H239-Y243 WeakPolarHBondContact O-CB 3.41Å; H239-Y243 PolarHBondContact O-N 3.03Å; H239-T257 HydrophobicContact CB-CG2 4.44Å; H239-T257 WeakPolarHBondContact CE1-CG2 3.4Å; H239-T257 VanDerWaalsContact ND1-CG2 3.29Å; H239-T257 WeakPolarHBondContact ND1-CG2 3.46Å; H239-F267 AromaticContact CE1-CE1 3.52Å; H239-F267 AromaticContact CE1-CE2 3.94Å; H239-F267 AromaticContact CE1-CZ 3.06Å; H239-F267 WeakPolarHBondContact CE1-CZ 3.34Å; H239-F267 AromaticContact ND1-CE1 3.22Å; H239-F267 WeakPolarHBondContact ND1-CE1 3.37Å; H239-F267 AromaticContact ND1-CZ 3.25Å; H239-F267 VanDerWaalsContact ND1-CZ 3.25Å; H239-F267 WeakPolarHBondContact ND1-CZ 3.5Å; H239-Y269 WeakPolarHBondContact CA-OH 3.31Å; H239-Y269 HydrophobicContact CB-CE1 4.18Å; H239-Y269 PolarHBondContact ND1-OH 2.9Å; H239-Y269 VanDerWaalsContact O-CZ 3.32Å; H239-Y269 PolarHBondContact O-OH 2.96Å
240	K	88.2	Confident	84.7	Confident	53 Å²	53	74.7 Å²	74.7	23%	0.23	37%	0.366	C	S	.	.	H	α-helix	trans	-65.7	-47.3	177	-72.9	172.7	176	-156.1	0	111.7	D236 E237 F242 Y243 R244 E253	D236-K240 WeakPolarHBondContact O-CG 3.28Å; D236-K240 PolarHBondContact O-N 3.01Å; E237-K240 WeakPolarHBondContact O-CB 3.37Å; E237-K240 PolarHBondContact O-N 3.19Å; K240-F242 VanDerWaalsContact C-N 3.35Å; K240-F242 PolarHBondContact O-N 3.33Å; K240-Y243 PolarHBondContact O-N 3.21Å; K240-R244 WeakPolarHBondContact O-CG 3.22Å; K240-R244 PolarHBondContact O-N 3.01Å; K240-E253 HydrophobicContact CD-CG 4.44Å; K240-E253 WeakPolarHBondContact CD-OE1 3.34Å; K240-E253 WeakPolarHBondContact CE-OE1 3.25Å; K240-E253 WeakPolarHBondContact CE-OE2 3.29Å; K240-E253 HydrophobicContact CG-CG 4.47Å; K240-E253 IonicContact NZ-OE1 2.75Å; K240-E253 PolarHBondContact NZ-OE1 3.49Å; K240-E253 IonicContact NZ-OE2 3.38Å; K240-E253 PolarHBondContact NZ-OE2 2.98Å
241	E	85.5	Confident	84.6	Confident	119 Å²	119	77 Å²	77	56%	0.556	38%	0.383	S	S	*	.	H	α-helix	trans	-60.2	-45.6	177	-70.6	-178.2	172	0	0	111.5	E237 Y243 R244 F245	E237-E241 WeakPolarHBondContact O-CG 3.47Å; E237-E241 PolarHBondContact O-N 3.48Å; E241-Y243 PolarHBondContact O-N 3.22Å; E241-R244 PolarHBondContact O-N 3.36Å; E241-F245 PolarHBondContact O-N 3.25Å
242	F	87.1	Confident	84.4	Confident	3 Å²	3	74.6 Å²	74.6	1%	0.013	37%	0.369	C	S	.	.	H	α-helix	trans	-66.1	-38.6	177.6	-175.2	-108.4	0	0	0	112.4	F208 V223 L226 W227 M238 K240 F245 V246 F267 Y269 V311	F208-F242 AromaticContact CE1-CE2 3.79Å; F208-F242 HydrophobicContact CE1-CE2 3.79Å; F208-F242 AromaticContact CZ-CE2 3.72Å; F208-F242 HydrophobicContact CZ-CE2 3.72Å; F208-F242 HydrophobicContact CZ-CZ 4.49Å; V223-F242 HydrophobicContact CG1-CD2 4.19Å; L226-F242 HydrophobicContact CD1-CB 3.39Å; L226-F242 HydrophobicContact CD1-CD1 4.42Å; L226-F242 HydrophobicContact CD1-CD2 4.38Å; L226-F242 HydrophobicContact CD1-CG 3.83Å; L226-F242 HydrophobicContact CG-CB 4.19Å; L226-F242 HydrophobicContact CG-CD2 4.3Å; L226-F242 HydrophobicContact CG-CG 4.17Å; W227-F242 HydrophobicContact CE3-CE1 4.23Å; W227-F242 HydrophobicContact CE3-CE2 4.04Å; W227-F242 AromaticContact CE3-CZ 3.53Å; W227-F242 HydrophobicContact CE3-CZ 3.53Å; W227-F242 HydrophobicContact CZ3-CE1 4.41Å; W227-F242 AromaticContact CZ3-CE2 3.55Å; W227-F242 HydrophobicContact CZ3-CE2 3.55Å; W227-F242 AromaticContact CZ3-CZ 3.32Å; W227-F242 HydrophobicContact CZ3-CZ 3.32Å; M238-F242 VanDerWaalsContact O-CB 3.25Å; M238-F242 WeakPolarHBondContact O-CB 3.44Å; M238-F242 PolarHBondContact O-N 3.38Å; K240-F242 VanDerWaalsContact C-N 3.35Å; K240-F242 PolarHBondContact O-N 3.33Å; F242-F245 HydrophobicContact CE2-CD1 4.47Å; F242-F245 WeakPolarHBondContact O-CB 3.46Å; F242-F245 PolarHBondContact O-N 3.01Å; F242-V246 HydrophobicContact CD1-CG1 4.31Å; F242-V246 HydrophobicContact CD2-CG1 4.35Å; F242-V246 HydrophobicContact CE1-CG1 3.76Å; F242-V246 HydrophobicContact CE2-CG1 3.79Å; F242-V246 HydrophobicContact CZ-CG1 3.44Å; F242-V246 VanDerWaalsContact CZ-CG1 3.44Å; F242-V246 WeakPolarHBondContact O-CG2 3.42Å; F242-V246 PolarHBondContact O-N 3.29Å; F242-F267 AromaticContact CD1-CD1 3.71Å; F242-F267 HydrophobicContact CD1-CD1 3.71Å; F242-F267 AromaticContact CD1-CE1 3.63Å; F242-F267 HydrophobicContact CD1-CE1 3.63Å; F242-F267 AromaticContact CE1-CD1 3.59Å; F242-F267 HydrophobicContact CE1-CD1 3.59Å; F242-F267 AromaticContact CE1-CE1 3.95Å; F242-F267 HydrophobicContact CE1-CE1 3.95Å; F242-F267 HydrophobicContact CE1-CG 4.28Å; F242-Y269 AromaticContact CD1-CE2 3.72Å; F242-Y269 HydrophobicContact CD1-CE2 3.72Å; F242-Y269 AromaticContact CD1-CZ 3.98Å; F242-Y269 WeakPolarHBondContact CD1-OH 3.44Å; F242-Y269 HydrophobicContact CE1-CE2 4.18Å; F242-V311 HydrophobicContact CE1-CG2 4.4Å; F242-V311 HydrophobicContact CZ-CB 4.39Å; F242-V311 HydrophobicContact CZ-CG2 3.8Å
243	Y	86.3	Confident	84.3	Confident	10 Å²	10	69 Å²	69	4%	0.039	35%	0.346	C	S	.	.	H	α-helix	trans	-59.1	-50.6	173.3	172.6	-107.1	0	0	0	111.4	H239 K240 E241 F245 V246 S247 G252 P254 Y269 P271 K309	H239-Y243 VanDerWaalsContact O-CB 3.26Å; H239-Y243 WeakPolarHBondContact O-CB 3.41Å; H239-Y243 PolarHBondContact O-N 3.03Å; K240-Y243 PolarHBondContact O-N 3.21Å; E241-Y243 PolarHBondContact O-N 3.22Å; Y243-F245 PolarHBondContact O-N 3.41Å; Y243-V246 WeakPolarHBondContact O-CG2 3.34Å; Y243-V246 PolarHBondContact O-N 2.73Å; Y243-S247 VanDerWaalsContact O-CB 3.29Å; Y243-S247 WeakPolarHBondContact O-CB 3.47Å; Y243-S247 PolarHBondContact O-N 2.98Å; Y243-S247 PolarHBondContact O-OG 3.15Å; Y243-G252 WeakPolarHBondContact CD1-O 3.37Å; Y243-G252 VanDerWaalsContact CE1-C 3.47Å; Y243-P254 HydrophobicContact CD2-CB 4.34Å; Y243-P254 HydrophobicContact CG-CB 4.2Å; Y243-P254 HydrophobicContact CG-CG 4.28Å; Y243-Y269 HydrophobicContact CD2-CD1 4.11Å; Y243-Y269 AromaticContact CD2-CD2 3.47Å; Y243-Y269 HydrophobicContact CD2-CD2 3.47Å; Y243-Y269 VanDerWaalsContact CD2-CD2 3.47Å; Y243-Y269 HydrophobicContact CD2-CE2 4.18Å; Y243-Y269 AromaticContact CD2-CG 3.36Å; Y243-Y269 HydrophobicContact CD2-CG 3.36Å; Y243-Y269 HydrophobicContact CE2-CD2 4.44Å; Y243-Y269 HydrophobicContact CE2-CG 4.15Å; Y243-Y269 HydrophobicContact CG-CD1 4.43Å; Y243-Y269 HydrophobicContact CG-CD2 4.18Å; Y243-Y269 HydrophobicContact CG-CE2 4.5Å; Y243-Y269 HydrophobicContact CG-CG 4.07Å; Y243-P271 WeakPolarHBondContact OH-CA 3.42Å; Y243-P271 VanDerWaalsContact OH-CB 3.26Å; Y243-P271 WeakPolarHBondContact OH-CB 3.12Å; Y243-K309 HydrophobicContact CE2-CB 4.02Å; Y243-K309 HydrophobicContact CE2-CG 4.33Å
244	R	84.9	Confident	84.2	Confident	73 Å²	73	63.4 Å²	63.4	28%	0.275	32%	0.321	S	S	.	.	H	α-helix	trans	-55.2	-42.2	177.3	-73.7	176.3	-167.4	157.5	5.8	111.8	K240 E241 H248 S249 Q250 G252 E253	K240-R244 WeakPolarHBondContact O-CG 3.22Å; K240-R244 PolarHBondContact O-N 3.01Å; E241-R244 PolarHBondContact O-N 3.36Å; R244-H248 WeakPolarHBondContact O-CA 2.98Å; R244-H248 PolarHBondContact O-N 3.21Å; R244-H248 VanDerWaalsContact O-N 3.15Å; R244-S249 VanDerWaalsContact CA-O 3.28Å; R244-S249 WeakPolarHBondContact CA-O 3.42Å; R244-S249 WeakPolarHBondContact CB-O 3.34Å; R244-S249 WeakPolarHBondContact CG-O 3.42Å; R244-S249 PolarHBondContact O-N 3.44Å; R244-Q250 WeakPolarHBondContact CD-O 3.25Å; R244-G252 VanDerWaalsContact CG-O 3.28Å; R244-G252 WeakPolarHBondContact CG-O 3.4Å; R244-G252 PolarHBondContact NE-O 3.17Å; R244-E253 IonicContact NH2-OE1 3.18Å; R244-E253 PolarHBondContact NH2-OE1 2.81Å
245	F	83.3	Confident	84.1	Confident	66 Å²	66	65.7 Å²	65.7	29%	0.289	33%	0.329	S	S	.	.	H	α-helix	trans	-60.9	-54.8	175.2	177.1	-95.6	0	0	0	112.2	N207 F208 V223 E241 F242 Y243 H248	N207-F245 WeakPolarHBondContact ND2-CZ 3.43Å; F208-F245 AromaticContact CE2-CE1 3.94Å; F208-F245 HydrophobicContact CE2-CE1 3.94Å; F208-F245 HydrophobicContact CZ-CD1 4.11Å; F208-F245 AromaticContact CZ-CE1 3.55Å; F208-F245 HydrophobicContact CZ-CE1 3.55Å; F208-F245 HydrophobicContact CZ-CZ 4.35Å; V223-F245 HydrophobicContact CG2-CD2 4.22Å; V223-F245 HydrophobicContact CG2-CE2 4.25Å; E241-F245 PolarHBondContact O-N 3.25Å; F242-F245 HydrophobicContact CE2-CD1 4.47Å; F242-F245 WeakPolarHBondContact O-CB 3.46Å; F242-F245 PolarHBondContact O-N 3.01Å; Y243-F245 PolarHBondContact O-N 3.41Å; F245-H248 PolarHBondContact O-N 3.41Å
246	V	82.7	Confident	83.9	Confident	21 Å²	21	62.4 Å²	62.4	13%	0.127	31%	0.308	C	S	.	.	H	α-helix	trans	-73.6	-28.3	-175.5	-59.6	0	0	0	0	113.7	F242 Y243 H248 Y269 V311	F242-V246 HydrophobicContact CD1-CG1 4.31Å; F242-V246 HydrophobicContact CD2-CG1 4.35Å; F242-V246 HydrophobicContact CE1-CG1 3.76Å; F242-V246 HydrophobicContact CE2-CG1 3.79Å; F242-V246 HydrophobicContact CZ-CG1 3.44Å; F242-V246 VanDerWaalsContact CZ-CG1 3.44Å; F242-V246 WeakPolarHBondContact O-CG2 3.42Å; F242-V246 PolarHBondContact O-N 3.29Å; Y243-V246 WeakPolarHBondContact O-CG2 3.34Å; Y243-V246 PolarHBondContact O-N 2.73Å; V246-H248 VanDerWaalsContact C-N 3.34Å; V246-Y269 HydrophobicContact CG2-CD2 4.18Å; V246-Y269 HydrophobicContact CG2-CE2 4.19Å; V246-V311 HydrophobicContact CG1-CG2 4.13Å
247	S	79	Confident	83.9	Confident	24 Å²	24	57.9 Å²	57.9	17%	0.168	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-2	179.9	78	0	0	0	0	112.9	Y243 S249	Y243-S247 VanDerWaalsContact O-CB 3.29Å; Y243-S247 WeakPolarHBondContact O-CB 3.47Å; Y243-S247 PolarHBondContact O-N 2.98Å; Y243-S247 PolarHBondContact O-OG 3.15Å; S247-S249 PolarHBondContact O-N 2.82Å; S247-S249 VanDerWaalsContact O-N 3.16Å; S247-S249 WeakPolarHBondContact OG-CB 3.4Å; S247-S249 PolarHBondContact OG-N 2.76Å
248	H	79.8	Confident	83.7	Confident	156 Å²	156	53.9 Å²	53.9	72%	0.722	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	35.2	-169.9	-55.7	-67.3	0	0	0	112.8	R244 F245 V246	R244-H248 WeakPolarHBondContact O-CA 2.98Å; R244-H248 PolarHBondContact O-N 3.21Å; R244-H248 VanDerWaalsContact O-N 3.15Å; F245-H248 PolarHBondContact O-N 3.41Å; V246-H248 VanDerWaalsContact C-N 3.34Å
249	S	79.3	Confident	83.3	Confident	37 Å²	37	53.2 Å²	53.2	26%	0.259	26%	0.263	S	S	.	.			trans	-106.5	132.4	-179	-174.7	0	0	0	0	109.8	R244 S247 G252	R244-S249 VanDerWaalsContact CA-O 3.28Å; R244-S249 WeakPolarHBondContact CA-O 3.42Å; R244-S249 WeakPolarHBondContact CB-O 3.34Å; R244-S249 WeakPolarHBondContact CG-O 3.42Å; R244-S249 PolarHBondContact O-N 3.44Å; S247-S249 PolarHBondContact O-N 2.82Å; S247-S249 VanDerWaalsContact O-N 3.16Å; S247-S249 WeakPolarHBondContact OG-CB 3.4Å; S247-S249 PolarHBondContact OG-N 2.76Å; S249-G252 VanDerWaalsContact OG-CA 3.31Å; S249-G252 WeakPolarHBondContact OG-CA 3.32Å; S249-G252 PolarHBondContact OG-N 3.45Å
250	Q	75.3	Confident	82.7	Confident	179 Å²	179	53.8 Å²	53.8	84%	0.836	27%	0.265	S	S	*	.	S	Bend	trans	-77.6	-34.5	179.4	-65.4	-179.9	4.8	0	0	112.4	R244	R244-Q250 WeakPolarHBondContact CD-O 3.25Å
251	T	81.1	Confident	81.7	Confident	116 Å²	116	57.7 Å²	57.7	71%	0.712	28%	0.278	S	S	*	.	S	Bend	trans	-122.1	-5.7	-172.3	54.1	0	0	0	0	113.5
252	G	77.4	Confident	80	Confident	7 Å²	7	54.3 Å²	54.3	7%	0.072	27%	0.266	C	S	.	.			trans	-62.4	142.6	-176.9	0	0	0	0	0	112.1	Y243 R244 S249	Y243-G252 WeakPolarHBondContact CD1-O 3.37Å; Y243-G252 VanDerWaalsContact CE1-C 3.47Å; R244-G252 VanDerWaalsContact CG-O 3.28Å; R244-G252 WeakPolarHBondContact CG-O 3.4Å; R244-G252 PolarHBondContact NE-O 3.17Å; S249-G252 VanDerWaalsContact OG-CA 3.31Å; S249-G252 WeakPolarHBondContact OG-CA 3.32Å; S249-G252 PolarHBondContact OG-N 3.45Å
253	E	84	Confident	77.5	Confident	77 Å²	77	61.1 Å²	61.1	36%	0.36	30%	0.302	S	S	.	.			trans	-127.2	143.7	171.3	-60.4	-161.3	155.4	0	0	110.3	K240 R244 T272	K240-E253 HydrophobicContact CD-CG 4.44Å; K240-E253 WeakPolarHBondContact CD-OE1 3.34Å; K240-E253 WeakPolarHBondContact CE-OE1 3.25Å; K240-E253 WeakPolarHBondContact CE-OE2 3.29Å; K240-E253 HydrophobicContact CG-CG 4.47Å; K240-E253 IonicContact NZ-OE1 2.75Å; K240-E253 PolarHBondContact NZ-OE1 3.49Å; K240-E253 IonicContact NZ-OE2 3.38Å; K240-E253 PolarHBondContact NZ-OE2 2.98Å; R244-E253 IonicContact NH2-OE1 3.18Å; R244-E253 PolarHBondContact NH2-OE1 2.81Å; E253-T272 PolarHBondContact O-OG1 3.4Å
254	P	85.4	Confident	75.2	Confident	23 Å²	23	61.6 Å²	61.6	15%	0.149	31%	0.306	C	S	.	.			trans	-77.6	130.1	177.7	31.6	-33.5	0	0	0	111.4	Y243 Y269	Y243-P254 HydrophobicContact CD2-CB 4.34Å; Y243-P254 HydrophobicContact CG-CB 4.2Å; Y243-P254 HydrophobicContact CG-CG 4.28Å; P254-Y269 HydrophobicContact CB-CD1 3.2Å; P254-Y269 HydrophobicContact CB-CE1 3.89Å; P254-Y269 HydrophobicContact CB-CG 3.9Å; P254-Y269 HydrophobicContact CG-CD1 3.63Å; P254-Y269 HydrophobicContact CG-CE1 3.75Å
255	R	82.9	Confident	72.9	Confident	60 Å²	60	58.4 Å²	58.4	23%	0.226	30%	0.296	C	S	.	.	S	Bend	trans	-72.9	-36.9	172.4	-177	175.1	-66.4	-92.8	-1.8	112.1	A270 K356 I359	R255-A270 PolarHBondContact N-O 3.43Å; R255-K356 WeakPolarHBondContact O-CE 3.3Å; R255-K356 PolarHBondContact O-NZ 3.41Å; R255-I359 VanDerWaalsContact NH1-CG2 3.31Å
256	Y	87.2	Confident	71	Confident	5 Å²	5	55.3 Å²	55.3	2%	0.02	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	143.6	175.8	-72.5	-55.5	0	0	0	110.1	Y269 A270 Y345 L346 N349 K356 Y357 F360	Y256-Y269 WeakPolarHBondContact O-CA 3.49Å; Y256-A270 PolarHBondContact O-N 3.04Å; Y256-Y345 HydrophobicContact CD1-CE1 4.04Å; Y256-Y345 HydrophobicContact CG-CE1 4.11Å; Y256-L346 HydrophobicContact CD2-CD2 4.3Å; Y256-N349 HydrophobicContact CE1-CB 3.87Å; Y256-N349 VanDerWaalsContact CE1-OD1 3.3Å; Y256-N349 WeakPolarHBondContact CE1-OD1 3.48Å; Y256-K356 HydrophobicContact CE1-CD 4.02Å; Y256-K356 HydrophobicContact CE1-CG 4.38Å; Y256-Y357 VanDerWaalsContact OH-CA 3.31Å; Y256-Y357 WeakPolarHBondContact OH-CA 3.4Å; Y256-Y357 PolarHBondContact OH-N 3.16Å; Y256-F360 HydrophobicContact CD2-CB 4.47Å; Y256-F360 AromaticContact CD2-CD2 3.81Å; Y256-F360 HydrophobicContact CD2-CD2 3.81Å; Y256-F360 HydrophobicContact CD2-CE2 4.15Å; Y256-F360 HydrophobicContact CD2-CG 4.05Å; Y256-F360 HydrophobicContact CE2-CB 3.63Å; Y256-F360 AromaticContact CE2-CD1 3.95Å; Y256-F360 HydrophobicContact CE2-CD1 3.95Å; Y256-F360 AromaticContact CE2-CD2 3.78Å; Y256-F360 HydrophobicContact CE2-CD2 3.78Å; Y256-F360 HydrophobicContact CE2-CE2 4.43Å; Y256-F360 AromaticContact CE2-CG 3.52Å; Y256-F360 HydrophobicContact CE2-CG 3.52Å
257	T	86.7	Confident	69.4	Low	32 Å²	32	54.3 Å²	54.3	20%	0.196	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.1	178.7	-62	0	0	0	0	108.6	H239 Y269 Y345	H239-T257 HydrophobicContact CB-CG2 4.44Å; H239-T257 WeakPolarHBondContact CE1-CG2 3.4Å; H239-T257 VanDerWaalsContact ND1-CG2 3.29Å; H239-T257 WeakPolarHBondContact ND1-CG2 3.46Å; T257-Y269 HydrophobicContact CG2-CD1 4.29Å; T257-Y269 HydrophobicContact CG2-CE1 3.84Å; T257-Y345 WeakPolarHBondContact O-CE2 3.46Å; T257-Y345 PolarHBondContact O-OH 3.21Å; T257-Y345 VanDerWaalsContact O-OH 3.1Å
258	I	84.4	Confident	67.7	Low	8 Å²	8	53.2 Å²	53.2	4%	0.041	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	105	178.3	-51.2	-176.8	0	0	0	107.7	F260 F266 F267 S268 V342 Y345	I258-F260 HydrophobicContact CG2-CD1 3.68Å; I258-F260 HydrophobicContact CG2-CE1 3.98Å; I258-F266 HydrophobicContact CG2-CD1 4.41Å; I258-F266 HydrophobicContact CG2-CE1 4.38Å; I258-F267 WeakPolarHBondContact O-CA 3.44Å; I258-S268 PolarHBondContact N-O 2.92Å; I258-S268 PolarHBondContact O-N 3.35Å; I258-V342 HydrophobicContact CD1-CB 4.4Å; I258-V342 HydrophobicContact CD1-CG1 4.2Å; I258-V342 HydrophobicContact CD1-CG2 4.08Å; I258-Y345 HydrophobicContact CB-CD2 4.49Å; I258-Y345 HydrophobicContact CB-CG 4.49Å; I258-Y345 HydrophobicContact CD1-CD1 3.57Å; I258-Y345 HydrophobicContact CD1-CE1 4.19Å; I258-Y345 HydrophobicContact CD1-CG 3.86Å; I258-Y345 HydrophobicContact CG1-CD1 3.48Å; I258-Y345 VanDerWaalsContact CG1-CD1 3.48Å; I258-Y345 HydrophobicContact CG1-CD2 4.05Å; I258-Y345 HydrophobicContact CG1-CE1 3.68Å; I258-Y345 HydrophobicContact CG1-CE2 4.2Å; I258-Y345 HydrophobicContact CG1-CG 3.7Å; I258-Y345 HydrophobicContact CG2-CD2 4.22Å; I258-Y345 HydrophobicContact CG2-CG 4.25Å
259	H	82	Confident	66.1	Low	34 Å²	34	45.8 Å²	45.8	16%	0.157	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112	172.5	-176.1	-175.7	0	0	0	109.3	W227 C229 P231 F267	W227-H259 PolarHBondContact O-NE2 2.94Å; C229-H259 PolarHBondContact O-CE1 2.89Å; P231-H259 WeakPolarHBondContact CB-ND1 3.37Å; H259-F267 HydrophobicContact CB-CD2 4.03Å; H259-F267 HydrophobicContact CB-CE2 3.77Å; H259-F267 HydrophobicContact CB-CZ 4.46Å; H259-F267 AromaticContact CD2-CD2 3.45Å; H259-F267 VanDerWaalsContact CD2-CD2 3.45Å; H259-F267 WeakPolarHBondContact CD2-CD2 3.39Å; H259-F267 AromaticContact CD2-CE2 3.37Å; H259-F267 WeakPolarHBondContact CD2-CE2 3.47Å; H259-F267 AromaticContact CE1-CE2 3.56Å; H259-F267 AromaticContact CG-CD2 3.69Å; H259-F267 AromaticContact CG-CE2 3.26Å; H259-F267 AromaticContact ND1-CE2 3.39Å; H259-F267 WeakPolarHBondContact ND1-CE2 3.49Å; H259-F267 AromaticContact NE2-CD2 3.92Å; H259-F267 AromaticContact NE2-CE2 3.55Å
260	F	73.6	Confident	64.7	Low	27 Å²	27	44.2 Å²	44.2	12%	0.118	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	155.1	172	65.8	-103.8	0	0	0	112.6	I258 V262 F266 K341	I258-F260 HydrophobicContact CG2-CD1 3.68Å; I258-F260 HydrophobicContact CG2-CE1 3.98Å; F260-V262 HydrophobicContact CD2-CB 4.44Å; F260-V262 HydrophobicContact CD2-CG2 3.73Å; F260-V262 HydrophobicContact CE2-CG2 4.16Å; F260-F266 HydrophobicContact CD1-CB 4.14Å; F260-F266 AromaticContact CD1-CD1 3.72Å; F260-F266 HydrophobicContact CD1-CD1 3.72Å; F260-F266 HydrophobicContact CD1-CG 4.31Å; F260-F266 HydrophobicContact CD2-CB 3.76Å; F260-F266 HydrophobicContact CE1-CB 3.68Å; F260-F266 AromaticContact CE1-CD1 2.98Å; F260-F266 HydrophobicContact CE1-CD1 2.98Å; F260-F266 AromaticContact CE1-CE1 3.7Å; F260-F266 HydrophobicContact CE1-CE1 3.7Å; F260-F266 AromaticContact CE1-CG 3.52Å; F260-F266 HydrophobicContact CE1-CG 3.52Å; F260-F266 HydrophobicContact CE2-CB 3.27Å; F260-F266 HydrophobicContact CE2-CD1 4.24Å; F260-F266 AromaticContact CE2-CG 3.92Å; F260-F266 HydrophobicContact CE2-CG 3.92Å; F260-F266 HydrophobicContact CG-CB 4.18Å; F260-F266 HydrophobicContact CZ-CB 3.21Å; F260-F266 AromaticContact CZ-CD1 3.31Å; F260-F266 HydrophobicContact CZ-CD1 3.31Å; F260-F266 HydrophobicContact CZ-CD2 4.14Å; F260-F266 HydrophobicContact CZ-CE1 4.14Å; F260-F266 AromaticContact CZ-CG 3.28Å; F260-F266 HydrophobicContact CZ-CG 3.28Å; F260-F266 PolarHBondContact N-O 2.71Å; F260-F266 PolarHBondContact O-N 3.35Å; F260-K341 HydrophobicContact CD1-CB 3.86Å; F260-K341 HydrophobicContact CD1-CG 4.32Å; F260-K341 HydrophobicContact CD2-CG 4.31Å; F260-K341 HydrophobicContact CE1-CB 3.29Å; F260-K341 HydrophobicContact CE1-CG 3.94Å; F260-K341 HydrophobicContact CE2-CB 4.18Å; F260-K341 HydrophobicContact CE2-CG 3.91Å; F260-K341 HydrophobicContact CG-CD 4.49Å; F260-K341 HydrophobicContact CG-CG 4.5Å; F260-K341 HydrophobicContact CZ-CB 3.48Å; F260-K341 VanDerWaalsContact CZ-CB 3.48Å; F260-K341 HydrophobicContact CZ-CG 3.73Å
261	R	67	Low	63.2	Low	134 Å²	134	36.3 Å²	36.3	51%	0.506	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.3	170.5	-63.7	-178.4	-179.5	-172.4	1.5	109.2	R228 C229	R228-R261 PolarHBondContact O-NH2 3.3Å; C229-R261 PolarHBondContact O-NH2 3.48Å
262	V	50.6	Low	61.5	Low	49 Å²	49	33.4 Å²	33.4	30%	0.297	17%	0.17	S	C	.	.	S	Bend	trans	-141.4	78.1	175.4	-179.1	0	0	0	0	108.2	F260 S264 V337 K341	F260-V262 HydrophobicContact CD2-CB 4.44Å; F260-V262 HydrophobicContact CD2-CG2 3.73Å; F260-V262 HydrophobicContact CE2-CG2 4.16Å; V262-S264 PolarHBondContact N-O 2.65Å; V262-S264 PolarHBondContact O-N 3.15Å; V262-S264 PolarHBondContact O-OG 2.81Å; V262-V337 HydrophobicContact CG1-CG1 4.23Å; V262-K341 HydrophobicContact CG2-CD 4.43Å
263	L	34.2	Very low	60	Low	146 Å²	146	38.8 Å²	38.8	76%	0.764	20%	0.198	S	C	*	.	S	Bend	trans	50.2	8.1	-169.7	-63.7	166.6	0	0	0	114.2
264	S	38.6	Very low	58	Low	19 Å²	19	38.8 Å²	38.8	13%	0.133	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	126.7	-172.1	50.5	0	0	0	0	105.6	V262 D313 S314	V262-S264 PolarHBondContact N-O 2.65Å; V262-S264 PolarHBondContact O-N 3.15Å; V262-S264 PolarHBondContact O-OG 2.81Å; S264-D313 CarbonylContact C-O 3.58Å; S264-D313 VanDerWaalsContact C-O 3.31Å; S264-D313 WeakPolarHBondContact CA-O 3.42Å; S264-D313 WeakPolarHBondContact CB-O 3.29Å; S264-S314 WeakPolarHBondContact CB-OG 3.24Å
265	G	36.5	Very low	55.8	Low	7 Å²	7	45.5 Å²	45.5	7%	0.072	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	132.1	176.6	0	0	0	0	0	109.9	I312 D313	G265-I312 CarbonylContact O-C 3.55Å; G265-D313 PolarHBondContact N-O 3.36Å; G265-D313 PolarHBondContact O-N 3.19Å
266	F	43.4	Very low	53.7	Low	1 Å²	1	44.8 Å²	44.8	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137	173.2	178.7	-91.7	0	0	0	109.9	I258 F260 S268 I312 V338 V342	I258-F266 HydrophobicContact CG2-CD1 4.41Å; I258-F266 HydrophobicContact CG2-CE1 4.38Å; F260-F266 HydrophobicContact CD1-CB 4.14Å; F260-F266 AromaticContact CD1-CD1 3.72Å; F260-F266 HydrophobicContact CD1-CD1 3.72Å; F260-F266 HydrophobicContact CD1-CG 4.31Å; F260-F266 HydrophobicContact CD2-CB 3.76Å; F260-F266 HydrophobicContact CE1-CB 3.68Å; F260-F266 AromaticContact CE1-CD1 2.98Å; F260-F266 HydrophobicContact CE1-CD1 2.98Å; F260-F266 AromaticContact CE1-CE1 3.7Å; F260-F266 HydrophobicContact CE1-CE1 3.7Å; F260-F266 AromaticContact CE1-CG 3.52Å; F260-F266 HydrophobicContact CE1-CG 3.52Å; F260-F266 HydrophobicContact CE2-CB 3.27Å; F260-F266 HydrophobicContact CE2-CD1 4.24Å; F260-F266 AromaticContact CE2-CG 3.92Å; F260-F266 HydrophobicContact CE2-CG 3.92Å; F260-F266 HydrophobicContact CG-CB 4.18Å; F260-F266 HydrophobicContact CZ-CB 3.21Å; F260-F266 AromaticContact CZ-CD1 3.31Å; F260-F266 HydrophobicContact CZ-CD1 3.31Å; F260-F266 HydrophobicContact CZ-CD2 4.14Å; F260-F266 HydrophobicContact CZ-CE1 4.14Å; F260-F266 AromaticContact CZ-CG 3.28Å; F260-F266 HydrophobicContact CZ-CG 3.28Å; F260-F266 PolarHBondContact N-O 2.71Å; F260-F266 PolarHBondContact O-N 3.35Å; F266-S268 VanDerWaalsContact CE1-CB 3.42Å; F266-I312 HydrophobicContact CD2-CB 4.16Å; F266-I312 HydrophobicContact CD2-CD1 3.66Å; F266-I312 HydrophobicContact CD2-CG1 3.47Å; F266-I312 VanDerWaalsContact CD2-CG1 3.47Å; F266-I312 HydrophobicContact CD2-CG2 4.09Å; F266-I312 HydrophobicContact CE2-CD1 3.55Å; F266-I312 HydrophobicContact CE2-CG1 3.62Å; F266-V338 HydrophobicContact CD2-CB 4.44Å; F266-V338 HydrophobicContact CD2-CG1 3.97Å; F266-V338 HydrophobicContact CD2-CG2 3.66Å; F266-V338 HydrophobicContact CE1-CG1 4.28Å; F266-V338 HydrophobicContact CE2-CB 4.18Å; F266-V338 HydrophobicContact CE2-CG1 3.28Å; F266-V338 HydrophobicContact CE2-CG2 3.81Å; F266-V338 HydrophobicContact CG-CG2 4.45Å; F266-V338 HydrophobicContact CZ-CG1 3.44Å; F266-V338 VanDerWaalsContact CZ-CG1 3.44Å; F266-V342 HydrophobicContact CE1-CG2 4.05Å; F266-V342 HydrophobicContact CZ-CG2 4.21Å
267	F	49.5	Very low	51.5	Low	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	122.9	-178.9	-129.9	-103.4	0	0	0	109.1	L226 W227 H239 F242 I258 H259 Y269 G310 V311	L226-F267 HydrophobicContact CB-CE1 4.44Å; L226-F267 HydrophobicContact CB-CE2 4.38Å; L226-F267 HydrophobicContact CB-CZ 3.86Å; W227-F267 HydrophobicContact CB-CB 4.26Å; W227-F267 HydrophobicContact CB-CD2 3.57Å; W227-F267 HydrophobicContact CB-CE2 4.11Å; W227-F267 HydrophobicContact CB-CG 4.2Å; H239-F267 AromaticContact CE1-CE1 3.52Å; H239-F267 AromaticContact CE1-CE2 3.94Å; H239-F267 AromaticContact CE1-CZ 3.06Å; H239-F267 WeakPolarHBondContact CE1-CZ 3.34Å; H239-F267 AromaticContact ND1-CE1 3.22Å; H239-F267 WeakPolarHBondContact ND1-CE1 3.37Å; H239-F267 AromaticContact ND1-CZ 3.25Å; H239-F267 VanDerWaalsContact ND1-CZ 3.25Å; H239-F267 WeakPolarHBondContact ND1-CZ 3.5Å; F242-F267 AromaticContact CD1-CD1 3.71Å; F242-F267 HydrophobicContact CD1-CD1 3.71Å; F242-F267 AromaticContact CD1-CE1 3.63Å; F242-F267 HydrophobicContact CD1-CE1 3.63Å; F242-F267 AromaticContact CE1-CD1 3.59Å; F242-F267 HydrophobicContact CE1-CD1 3.59Å; F242-F267 AromaticContact CE1-CE1 3.95Å; F242-F267 HydrophobicContact CE1-CE1 3.95Å; F242-F267 HydrophobicContact CE1-CG 4.28Å; I258-F267 WeakPolarHBondContact O-CA 3.44Å; H259-F267 HydrophobicContact CB-CD2 4.03Å; H259-F267 HydrophobicContact CB-CE2 3.77Å; H259-F267 HydrophobicContact CB-CZ 4.46Å; H259-F267 AromaticContact CD2-CD2 3.45Å; H259-F267 VanDerWaalsContact CD2-CD2 3.45Å; H259-F267 WeakPolarHBondContact CD2-CD2 3.39Å; H259-F267 AromaticContact CD2-CE2 3.37Å; H259-F267 WeakPolarHBondContact CD2-CE2 3.47Å; H259-F267 AromaticContact CE1-CE2 3.56Å; H259-F267 AromaticContact CG-CD2 3.69Å; H259-F267 AromaticContact CG-CE2 3.26Å; H259-F267 AromaticContact ND1-CE2 3.39Å; H259-F267 WeakPolarHBondContact ND1-CE2 3.49Å; H259-F267 AromaticContact NE2-CD2 3.92Å; H259-F267 AromaticContact NE2-CE2 3.55Å; F267-Y269 AromaticContact CD1-CE2 3.85Å; F267-Y269 HydrophobicContact CD1-CE2 3.85Å; F267-Y269 AromaticContact CD1-CZ 3.87Å; F267-Y269 HydrophobicContact CE1-CE1 4.48Å; F267-Y269 HydrophobicContact CE1-CE2 4.17Å; F267-Y269 AromaticContact CE1-CZ 3.73Å; F267-Y269 VanDerWaalsContact CE1-OH 3.3Å; F267-Y269 WeakPolarHBondContact CE1-OH 3.42Å; F267-G310 CarbonylContact O-C 3.59Å; F267-G310 WeakPolarHBondContact O-CA 3.31Å; F267-V311 WeakPolarHBondContact CA-O 3.35Å; F267-V311 HydrophobicContact CB-CB 4.44Å; F267-V311 PolarHBondContact N-O 3.48Å; F267-V311 PolarHBondContact O-N 3.13Å; F267-V311 VanDerWaalsContact O-O 3.09Å
268	S	43.8	Very low	49.7	Very low	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	152.8	174	-164.6	0	0	0	0	114.6	I258 F266 L308 K309	I258-S268 PolarHBondContact N-O 2.92Å; I258-S268 PolarHBondContact O-N 3.35Å; F266-S268 VanDerWaalsContact CE1-CB 3.42Å; S268-L308 VanDerWaalsContact OG-CB 3.23Å; S268-L308 WeakPolarHBondContact OG-CB 3.4Å; S268-L308 WeakPolarHBondContact OG-CD2 3.37Å; S268-K309 CarbonylContact C-O 3.53Å; S268-K309 WeakPolarHBondContact CA-O 3.32Å; S268-K309 PolarHBondContact OG-O 2.84Å
269	Y	45.3	Very low	48.2	Very low	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.6	-175	-59.6	-72.9	0	0	0	110.7	H239 F242 Y243 V246 P254 Y256 T257 F267 K309	H239-Y269 WeakPolarHBondContact CA-OH 3.31Å; H239-Y269 HydrophobicContact CB-CE1 4.18Å; H239-Y269 PolarHBondContact ND1-OH 2.9Å; H239-Y269 VanDerWaalsContact O-CZ 3.32Å; H239-Y269 PolarHBondContact O-OH 2.96Å; F242-Y269 AromaticContact CD1-CE2 3.72Å; F242-Y269 HydrophobicContact CD1-CE2 3.72Å; F242-Y269 AromaticContact CD1-CZ 3.98Å; F242-Y269 WeakPolarHBondContact CD1-OH 3.44Å; F242-Y269 HydrophobicContact CE1-CE2 4.18Å; Y243-Y269 HydrophobicContact CD2-CD1 4.11Å; Y243-Y269 AromaticContact CD2-CD2 3.47Å; Y243-Y269 HydrophobicContact CD2-CD2 3.47Å; Y243-Y269 VanDerWaalsContact CD2-CD2 3.47Å; Y243-Y269 HydrophobicContact CD2-CE2 4.18Å; Y243-Y269 AromaticContact CD2-CG 3.36Å; Y243-Y269 HydrophobicContact CD2-CG 3.36Å; Y243-Y269 HydrophobicContact CE2-CD2 4.44Å; Y243-Y269 HydrophobicContact CE2-CG 4.15Å; Y243-Y269 HydrophobicContact CG-CD1 4.43Å; Y243-Y269 HydrophobicContact CG-CD2 4.18Å; Y243-Y269 HydrophobicContact CG-CE2 4.5Å; Y243-Y269 HydrophobicContact CG-CG 4.07Å; V246-Y269 HydrophobicContact CG2-CD2 4.18Å; V246-Y269 HydrophobicContact CG2-CE2 4.19Å; P254-Y269 HydrophobicContact CB-CD1 3.2Å; P254-Y269 HydrophobicContact CB-CE1 3.89Å; P254-Y269 HydrophobicContact CB-CG 3.9Å; P254-Y269 HydrophobicContact CG-CD1 3.63Å; P254-Y269 HydrophobicContact CG-CE1 3.75Å; Y256-Y269 WeakPolarHBondContact O-CA 3.49Å; T257-Y269 HydrophobicContact CG2-CD1 4.29Å; T257-Y269 HydrophobicContact CG2-CE1 3.84Å; F267-Y269 AromaticContact CD1-CE2 3.85Å; F267-Y269 HydrophobicContact CD1-CE2 3.85Å; F267-Y269 AromaticContact CD1-CZ 3.87Å; F267-Y269 HydrophobicContact CE1-CE1 4.48Å; F267-Y269 HydrophobicContact CE1-CE2 4.17Å; F267-Y269 AromaticContact CE1-CZ 3.73Å; F267-Y269 VanDerWaalsContact CE1-OH 3.3Å; F267-Y269 WeakPolarHBondContact CE1-OH 3.42Å; Y269-K309 WeakPolarHBondContact CD2-O 3.44Å; Y269-K309 PolarHBondContact N-O 2.82Å; Y269-K309 PolarHBondContact O-N 3.01Å
270	A	49.1	Very low	47.3	Very low	5 Å²	5	64.8 Å²	64.8	4%	0.041	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.3	168.5	0	0	0	0	0	109.9	R255 Y256 F307 F360	R255-A270 PolarHBondContact N-O 3.43Å; Y256-A270 PolarHBondContact O-N 3.04Å; A270-F307 HydrophobicContact CB-CD2 4.35Å; A270-F307 HydrophobicContact CB-CE2 4.4Å; A270-F360 HydrophobicContact CB-CD2 4.49Å; A270-F360 HydrophobicContact CB-CE2 3.91Å
271	P	44.2	Very low	46.9	Very low	12 Å²	12	69.7 Å²	69.7	8%	0.078	36%	0.361	C	S	.	.			trans	-65	161.8	-178.7	24.9	-32.8	0	0	0	112.7	Y243 M280 F307 F364	Y243-P271 WeakPolarHBondContact OH-CA 3.42Å; Y243-P271 VanDerWaalsContact OH-CB 3.26Å; Y243-P271 WeakPolarHBondContact OH-CB 3.12Å; P271-M280 HydrophobicContact CG-CE 4.35Å; P271-F307 WeakPolarHBondContact CD-O 3.45Å; P271-F364 HydrophobicContact CG-CZ 4.32Å; P271-F364 VanDerWaalsContact O-CZ 3.25Å; P271-F364 WeakPolarHBondContact O-CZ 3.39Å
272	T	46.3	Very low	47.4	Very low	55 Å²	55	63.9 Å²	63.9	34%	0.337	34%	0.341	S	S	.	.	S	Bend	trans	-93.8	-24	179.5	-59	0	0	0	0	113.3	E253	E253-T272 PolarHBondContact O-OG1 3.4Å
273	D	44.9	Very low	48.8	Very low	121 Å²	121	62.1 Å²	62.1	65%	0.647	33%	0.332	S	S	*	.			trans	-110	130.2	-170.4	-60	-41.4	0	0	0	113.7
274	F	43.4	Very low	51.4	Low	76 Å²	76	55.1 Å²	55.1	33%	0.333	30%	0.296	S	S	.	.			trans	-110.8	83.4	-173.8	-163.5	-92.9	0	0	0	110.7	M277 H363 Y367	F274-M277 HydrophobicContact CE1-CE 3.74Å; F274-M277 HydrophobicContact CE1-CG 3.79Å; F274-M277 HydrophobicContact CE1-SD 4.26Å; F274-M277 HydrophobicContact CZ-CE 3.47Å; F274-M277 VanDerWaalsContact CZ-CE 3.47Å; F274-M277 HydrophobicContact CZ-CG 3.63Å; F274-M277 HydrophobicContact CZ-SD 4.27Å; F274-H363 WeakPolarHBondContact CE2-O 3.26Å; F274-Y367 HydrophobicContact CE2-CE2 4.04Å
275	I	38.2	Very low	53.7	Low	165 Å²	165	55.2 Å²	55.2	85%	0.846	30%	0.296	S	S	*	.			trans	-130.2	106.3	170.1	-58	179	0	0	0	108.2
276	G	39.1	Very low	56.2	Low	44 Å²	44	54.9 Å²	54.9	45%	0.454	29%	0.293	S	S	.	.			trans	124.1	70.9	168.5	0	0	0	0	0	115.8	L278	G276-L278 PolarHBondContact O-N 3.42Å
277	M	41.7	Very low	58.3	Low	103 Å²	103	55.5 Å²	55.5	51%	0.507	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	4.8	-174.8	-119.4	-172.5	-171.5	0	0	116.6	F274 H366	F274-M277 HydrophobicContact CE1-CE 3.74Å; F274-M277 HydrophobicContact CE1-CG 3.79Å; F274-M277 HydrophobicContact CE1-SD 4.26Å; F274-M277 HydrophobicContact CZ-CE 3.47Å; F274-M277 VanDerWaalsContact CZ-CE 3.47Å; F274-M277 HydrophobicContact CZ-CG 3.63Å; F274-M277 HydrophobicContact CZ-SD 4.27Å; M277-H366 HydrophobicContact CE-CB 4.26Å
278	L	47.8	Very low	59.9	Low	168 Å²	168	56 Å²	56	88%	0.88	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	-12	-176.1	-76.8	162.6	0	0	0	115.9	G276	G276-L278 PolarHBondContact O-N 3.42Å
279	Q	52.4	Low	61.5	Low	181 Å²	181	58.6 Å²	58.6	85%	0.846	31%	0.309	S	S	*	.			trans	-139.9	25.6	-172.4	-67.7	-167.2	-13.7	0	0	115	E281	Q279-E281 PolarHBondContact O-N 3.2Å
280	M	62.9	Low	63.3	Low	47 Å²	47	61.9 Å²	61.9	23%	0.232	32%	0.321	C	S	.	.			trans	-66.1	111.1	172	-72.3	-169.9	76	0	0	110.4	P271 Y367	P271-M280 HydrophobicContact CG-CE 4.35Å; M280-Y367 PolarHBondContact SD-OH 3.37Å
281	E	66.7	Low	64.8	Low	130 Å²	130	61.8 Å²	61.8	61%	0.607	32%	0.32	S	S	*	.			trans	-68.1	141.1	171.8	-62.8	-163.7	147.1	0	0	111	Q279 G283 K309	Q279-E281 PolarHBondContact O-N 3.2Å; E281-G283 PolarHBondContact O-N 2.91Å; E281-G283 VanDerWaalsContact O-N 3.15Å; E281-K309 PolarHBondContact O-NZ 3.4Å
282	V	76.2	Confident	66.8	Low	13 Å²	13	61.5 Å²	61.5	8%	0.079	32%	0.318	C	S	.	.			trans	-56.1	118	169.6	170	0	0	0	0	108.1	V284 S296 K298 I301 R306	V282-V284 HydrophobicContact CG1-CB 4.19Å; V282-S296 WeakPolarHBondContact O-CA 3.46Å; V282-S296 WeakPolarHBondContact O-CB 3.44Å; V282-S296 PolarHBondContact O-OG 3.37Å; V282-S296 VanDerWaalsContact O-OG 3.09Å; V282-K298 HydrophobicContact CB-CG 4.04Å; V282-K298 HydrophobicContact CG2-CB 4.32Å; V282-K298 HydrophobicContact CG2-CG 3.91Å; V282-I301 HydrophobicContact CB-CD1 4.3Å; V282-I301 HydrophobicContact CG1-CD1 3.42Å; V282-I301 VanDerWaalsContact CG1-CD1 3.42Å; V282-I301 HydrophobicContact CG1-CG1 3.97Å; V282-I301 HydrophobicContact CG2-CD1 4.06Å; V282-I301 HydrophobicContact CG2-CG1 4.44Å; V282-R306 HydrophobicContact CG2-CB 3.94Å
283	G	80	Confident	68.6	Low	11 Å²	11	59.5 Å²	59.5	11%	0.113	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	31.4	178.1	0	0	0	0	0	113.1	E281 K309 G310	E281-G283 PolarHBondContact O-N 2.91Å; E281-G283 VanDerWaalsContact O-N 3.15Å; G283-K309 VanDerWaalsContact CA-CD 3.49Å; G283-K309 CarbonylContact O-C 3.54Å; G283-K309 WeakPolarHBondContact O-CA 3.5Å; G283-G310 PolarHBondContact O-N 2.91Å
284	V	88.6	Confident	70.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.1	172.4	179.2	0	0	0	0	108.3	V282 S296 A297 I301 L308 G310 I312	V282-V284 HydrophobicContact CG1-CB 4.19Å; V284-S296 CarbonylContact O-C 3.54Å; V284-S296 WeakPolarHBondContact O-CA 3.29Å; V284-A297 PolarHBondContact O-N 3.41Å; V284-I301 HydrophobicContact CB-CD1 4.38Å; V284-I301 HydrophobicContact CG2-CD1 4Å; V284-I301 HydrophobicContact CG2-CG2 4.47Å; V284-L308 HydrophobicContact CG2-CB 4.01Å; V284-L308 WeakPolarHBondContact CG2-O 3.28Å; V284-G310 CarbonylContact C-O 3.45Å; V284-G310 WeakPolarHBondContact CA-O 3.38Å; V284-I312 HydrophobicContact CG1-CD1 3.73Å; V284-I312 HydrophobicContact CG1-CG1 3.42Å; V284-I312 VanDerWaalsContact CG1-CG1 3.42Å
285	S	88.4	Confident	72.3	Confident	21 Å²	21	57.3 Å²	57.3	15%	0.147	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140.6	177.4	-67.1	0	0	0	0	110.8	G310 V311 I312	S285-G310 PolarHBondContact N-O 3.34Å; S285-V311 CarbonylContact O-C 3.55Å; S285-V311 WeakPolarHBondContact O-CA 3.46Å; S285-I312 PolarHBondContact O-N 3.45Å
286	L	88.2	Confident	74.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.8	177.5	-177.1	69.7	0	0	0	110.7	I293 Q294 A297 V300 I312 I317 L326 L334	L286-I293 HydrophobicContact CD2-CG2 4.41Å; L286-I293 HydrophobicContact CG-CB 4.48Å; L286-I293 PolarHBondContact O-N 3.32Å; L286-Q294 HydrophobicContact CB-CB 4.38Å; L286-Q294 PolarHBondContact N-O 3.23Å; L286-Q294 PolarHBondContact O-N 3.41Å; L286-Q294 VanDerWaalsContact O-N 3.16Å; L286-A297 HydrophobicContact CB-CB 3.83Å; L286-V300 HydrophobicContact CD2-CG1 4.29Å; L286-I312 CarbonylContact C-O 3.6Å; L286-I312 WeakPolarHBondContact CA-O 3.44Å; L286-I312 HydrophobicContact CD1-CB 3.86Å; L286-I312 HydrophobicContact CD1-CG2 4.11Å; L286-I317 HydrophobicContact CD1-CD1 3.77Å; L286-I317 HydrophobicContact CD2-CD1 3.94Å; L286-I317 HydrophobicContact CG-CD1 4.24Å; L286-L326 HydrophobicContact CD2-CD1 3.18Å; L286-L326 HydrophobicContact CD2-CD2 3.61Å; L286-L326 HydrophobicContact CD2-CG 3.96Å; L286-L334 HydrophobicContact CD1-CD2 3.87Å
287	Y	87.3	Confident	76.7	Confident	14 Å²	14	48.8 Å²	48.8	6%	0.055	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	154.9	177.1	-72	-102.9	0	0	0	110	F208 W227 R290 I291 L292 V311 I312 D313 S314	F208-Y287 AromaticContact CD2-CE1 3.64Å; F208-Y287 HydrophobicContact CD2-CE1 3.64Å; F208-Y287 AromaticContact CD2-CZ 3.86Å; F208-Y287 HydrophobicContact CE2-CE1 4.15Å; F208-Y287 AromaticContact CE2-CZ 3.86Å; F208-Y287 WeakPolarHBondContact CE2-OH 3.17Å; W227-Y287 HydrophobicContact CZ2-CD1 4.4Å; W227-Y287 HydrophobicContact CZ2-CG 4.4Å; Y287-R290 WeakPolarHBondContact CD1-O 3.46Å; Y287-I291 CarbonylContact C-O 3.58Å; Y287-I291 WeakPolarHBondContact CA-O 3.28Å; Y287-I291 WeakPolarHBondContact CD1-O 3.27Å; Y287-L292 HydrophobicContact CD1-CB 4.19Å; Y287-L292 VanDerWaalsContact CD1-N 3.35Å; Y287-L292 HydrophobicContact CD2-CD1 4.14Å; Y287-L292 HydrophobicContact CE1-CB 3.69Å; Y287-L292 HydrophobicContact CE1-CD1 4.17Å; Y287-L292 HydrophobicContact CE2-CD1 3.64Å; Y287-V311 HydrophobicContact CD2-CB 4.4Å; Y287-V311 HydrophobicContact CD2-CG1 3.46Å; Y287-V311 VanDerWaalsContact CD2-CG1 3.46Å; Y287-V311 HydrophobicContact CD2-CG2 4.22Å; Y287-V311 HydrophobicContact CE2-CG1 3.95Å; Y287-V311 HydrophobicContact CE2-CG2 3.84Å; Y287-V311 HydrophobicContact CG-CG1 4.17Å; Y287-I312 PolarHBondContact N-O 3.11Å; Y287-D313 VanDerWaalsContact O-CA 3.32Å; Y287-D313 WeakPolarHBondContact O-CA 3.25Å; Y287-S314 PolarHBondContact O-N 3.24Å; Y287-S314 VanDerWaalsContact O-N 3.07Å
288	C	83.1	Confident	78.8	Confident	11 Å²	11	49.7 Å²	49.7	7%	0.074	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	122.1	165.1	175.4	0	0	0	0	106.8	R290 I291 I293 S314 L319	C288-R290 VanDerWaalsContact C-N 3.27Å; C288-R290 PolarHBondContact O-N 3.25Å; C288-I291 PolarHBondContact N-O 3.43Å; C288-I291 PolarHBondContact O-N 3.39Å; C288-I293 HydrophobicContact CB-CD1 3.96Å; C288-I293 HydrophobicContact CB-CG1 3.7Å; C288-S314 PolarHBondContact SG-O 3.31Å; C288-S314 VanDerWaalsContact SG-O 3.39Å; C288-L319 HydrophobicContact CB-CD1 4.31Å
289	R	78.2	Confident	80.6	Confident	54 Å²	54	46.2 Å²	46.2	20%	0.204	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	45.4	-177.1	-62.2	-178.6	170.4	141.8	10.7	112.2	D123 L125 I126 Q128 I291 D313 E315	D123-R289 WeakPolarHBondContact O-CD 3.31Å; D123-R289 PolarHBondContact O-NE 3.42Å; L125-R289 WeakPolarHBondContact O-CD 3.08Å; L125-R289 PolarHBondContact O-NH1 2.85Å; I126-R289 HydrophobicContact CG1-CB 4.31Å; Q128-R289 VanDerWaalsContact NE2-NH1 3.17Å; R289-I291 PolarHBondContact O-N 2.97Å; R289-I291 VanDerWaalsContact O-N 3.15Å; R289-D313 PolarHBondContact N-OD1 3.48Å; R289-E315 HydrophobicContact CG-CG 4.47Å
290	R	82.9	Confident	82.2	Confident	69 Å²	69	37.6 Å²	37.6	26%	0.26	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	6.3	-178.6	-44.2	179.4	-170.5	176.9	1.4	116.3	F208 A225 R228 Y287 C288 D313	F208-R290 HydrophobicContact CB-CB 4.02Å; F208-R290 VanDerWaalsContact O-CB 3.3Å; F208-R290 WeakPolarHBondContact O-CB 3.35Å; F208-R290 WeakPolarHBondContact O-CD 3.49Å; A225-R290 HydrophobicContact CB-CG 4.45Å; R228-R290 HydrophobicContact CG-CG 4.44Å; Y287-R290 WeakPolarHBondContact CD1-O 3.46Å; C288-R290 VanDerWaalsContact C-N 3.27Å; C288-R290 PolarHBondContact O-N 3.25Å; R290-D313 PolarHBondContact N-OD2 3.43Å
291	I	80.4	Confident	83.5	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.2	171.6	-57.7	-57.4	0	0	0	109.7	R50 I126 V209 Y287 C288 R289 I293	R50-I291 HydrophobicContact CG-CG2 3.89Å; I126-I291 HydrophobicContact CD1-CD1 3.93Å; I126-I291 HydrophobicContact CD1-CG1 3.59Å; I126-I291 HydrophobicContact CG1-CG1 4.25Å; I126-I291 HydrophobicContact CG2-CG1 4.37Å; V209-I291 HydrophobicContact CG2-CD1 3.75Å; Y287-I291 CarbonylContact C-O 3.58Å; Y287-I291 WeakPolarHBondContact CA-O 3.28Å; Y287-I291 WeakPolarHBondContact CD1-O 3.27Å; C288-I291 PolarHBondContact N-O 3.43Å; C288-I291 PolarHBondContact O-N 3.39Å; R289-I291 PolarHBondContact O-N 2.97Å; R289-I291 VanDerWaalsContact O-N 3.15Å; I291-I293 PolarHBondContact O-N 2.71Å
292	L	85.5	Confident	84.6	Confident	6 Å²	6	29.9 Å²	29.9	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	123.3	177.1	-179	70.4	0	0	0	109.9	K204 Y205 Y287 Q295	K204-L292 HydrophobicContact CG-CD2 3.99Å; K204-L292 WeakPolarHBondContact O-CD2 3.35Å; Y205-L292 HydrophobicContact CD1-CB 4.39Å; Y205-L292 HydrophobicContact CD1-CD2 4.32Å; Y287-L292 HydrophobicContact CD1-CB 4.19Å; Y287-L292 VanDerWaalsContact CD1-N 3.35Å; Y287-L292 HydrophobicContact CD2-CD1 4.14Å; Y287-L292 HydrophobicContact CE1-CB 3.69Å; Y287-L292 HydrophobicContact CE1-CD1 4.17Å; Y287-L292 HydrophobicContact CE2-CD1 3.64Å; L292-Q295 HydrophobicContact CD2-CB 4.33Å
293	I	84.4	Confident	85.2	Confident	13 Å²	13	31.7 Å²	31.7	7%	0.067	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-49.6	175.2	-58.3	-54.5	0	0	0	110.1	L286 C288 I291 L319 R323 L326	L286-I293 HydrophobicContact CD2-CG2 4.41Å; L286-I293 HydrophobicContact CG-CB 4.48Å; L286-I293 PolarHBondContact O-N 3.32Å; C288-I293 HydrophobicContact CB-CD1 3.96Å; C288-I293 HydrophobicContact CB-CG1 3.7Å; I291-I293 PolarHBondContact O-N 2.71Å; I293-L319 HydrophobicContact CD1-CD1 3.87Å; I293-L319 HydrophobicContact CD1-CD2 3.7Å; I293-L319 HydrophobicContact CD1-CG 4.47Å; I293-L319 HydrophobicContact CG1-CD2 3.98Å; I293-L319 HydrophobicContact CG2-CD2 3.97Å; I293-R323 HydrophobicContact CD1-CB 4.36Å; I293-L326 HydrophobicContact CG2-CD2 4.02Å
294	Q	84.2	Confident	85.7	Confident	55 Å²	55	31.9 Å²	31.9	26%	0.257	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	121.6	-178.5	-171.9	177.9	0.8	0	0	110.4	L286 A297	L286-Q294 HydrophobicContact CB-CB 4.38Å; L286-Q294 PolarHBondContact N-O 3.23Å; L286-Q294 PolarHBondContact O-N 3.41Å; L286-Q294 VanDerWaalsContact O-N 3.16Å; Q294-A297 HydrophobicContact CB-CB 4.31Å; Q294-A297 HydrophobicContact CG-CB 4.24Å
295	Q	82.6	Confident	85.9	Confident	95 Å²	95	31.9 Å²	31.9	44%	0.444	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	138.5	168.4	-164.5	171	2.9	0	0	109.1	L292 A297	L292-Q295 HydrophobicContact CD2-CB 4.33Å; Q295-A297 PolarHBondContact O-N 3.34Å
296	S	83.9	Confident	86	Confident	30 Å²	30	33.4 Å²	33.4	21%	0.21	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	56.1	178.1	-56.4	0	0	0	0	112.5	V282 V284 K298	V282-S296 WeakPolarHBondContact O-CA 3.46Å; V282-S296 WeakPolarHBondContact O-CB 3.44Å; V282-S296 PolarHBondContact O-OG 3.37Å; V282-S296 VanDerWaalsContact O-OG 3.09Å; V284-S296 CarbonylContact O-C 3.54Å; V284-S296 WeakPolarHBondContact O-CA 3.29Å; S296-K298 WeakPolarHBondContact O-CG 3.3Å; S296-K298 PolarHBondContact O-N 3.17Å
297	A	84.6	Confident	85.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.			trans	-68.7	88.4	-175	0	0	0	0	0	111.3	V284 L286 Q294 Q295 D299 V300	V284-A297 PolarHBondContact O-N 3.41Å; L286-A297 HydrophobicContact CB-CB 3.83Å; Q294-A297 HydrophobicContact CB-CB 4.31Å; Q294-A297 HydrophobicContact CG-CB 4.24Å; Q295-A297 PolarHBondContact O-N 3.34Å; A297-D299 VanDerWaalsContact C-N 3.28Å; A297-D299 PolarHBondContact O-N 2.85Å; A297-V300 HydrophobicContact CB-CG1 4.49Å; A297-V300 HydrophobicContact CB-CG2 3.53Å; A297-V300 VanDerWaalsContact O-CG2 3.29Å; A297-V300 WeakPolarHBondContact O-CG2 3.05Å
298	K	85.6	Confident	86	Confident	123 Å²	123	33 Å²	33	54%	0.535	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-67.1	-28	-175.4	-58.9	-178.5	-175.2	174.9	0	113	V282 S296	V282-K298 HydrophobicContact CB-CG 4.04Å; V282-K298 HydrophobicContact CG2-CB 4.32Å; V282-K298 HydrophobicContact CG2-CG 3.91Å; S296-K298 WeakPolarHBondContact O-CG 3.3Å; S296-K298 PolarHBondContact O-N 3.17Å
299	D	86.1	Confident	86.2	Confident	94 Å²	94	34.1 Å²	34.1	50%	0.503	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-84	-20.9	-172.6	-57	-48.1	0	0	0	113.5	A297 I301 I331	A297-D299 VanDerWaalsContact C-N 3.28Å; A297-D299 PolarHBondContact O-N 2.85Å; D299-I301 VanDerWaalsContact C-N 3.34Å; D299-I331 HydrophobicContact CB-CD1 4.41Å; D299-I331 HydrophobicContact CB-CG2 3.66Å; D299-I331 WeakPolarHBondContact O-CG2 3.15Å
300	V	87.5	Confident	86.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-86.5	-4.6	-178.8	-57.9	0	0	0	0	113.3	L286 A297 I312 L326 I331 L334 K335	L286-V300 HydrophobicContact CD2-CG1 4.29Å; A297-V300 HydrophobicContact CB-CG1 4.49Å; A297-V300 HydrophobicContact CB-CG2 3.53Å; A297-V300 VanDerWaalsContact O-CG2 3.29Å; A297-V300 WeakPolarHBondContact O-CG2 3.05Å; V300-I312 HydrophobicContact CB-CD1 4.23Å; V300-I312 HydrophobicContact CG2-CD1 3.65Å; V300-L326 HydrophobicContact CG1-CD1 4.27Å; V300-I331 HydrophobicContact CG1-CG2 4.14Å; V300-L334 HydrophobicContact CB-CD2 4.08Å; V300-L334 HydrophobicContact CG1-CD2 3.85Å; V300-K335 VanDerWaalsContact O-CA 3.27Å; V300-K335 WeakPolarHBondContact O-CA 3.43Å
301	I	88.8	Confident	87.1	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.01	14%	0.141	C	C	.	.	S	Bend	trans	-130.9	147.6	172.8	63.7	170.2	0	0	0	110.7	V282 V284 D299 V338	V282-I301 HydrophobicContact CB-CD1 4.3Å; V282-I301 HydrophobicContact CG1-CD1 3.42Å; V282-I301 VanDerWaalsContact CG1-CD1 3.42Å; V282-I301 HydrophobicContact CG1-CG1 3.97Å; V282-I301 HydrophobicContact CG2-CD1 4.06Å; V282-I301 HydrophobicContact CG2-CG1 4.44Å; V284-I301 HydrophobicContact CB-CD1 4.38Å; V284-I301 HydrophobicContact CG2-CD1 4Å; V284-I301 HydrophobicContact CG2-CG2 4.47Å; D299-I301 VanDerWaalsContact C-N 3.34Å; I301-V338 HydrophobicContact CG2-CG1 4.16Å
302	P	90.1	Very high	87.5	Confident	13 Å²	13	28.2 Å²	28.2	8%	0.084	14%	0.14	C	C	.	.			trans	-61.4	147.1	169.1	-20.9	32	0	0	0	112	W304 L305 K335 T339	P302-W304 HydrophobicContact CB-CG 4.16Å; P302-W304 VanDerWaalsContact CB-NE1 3.3Å; P302-W304 PolarHBondContact O-N 2.83Å; P302-W304 VanDerWaalsContact O-N 3.13Å; P302-L305 HydrophobicContact CG-CD1 4.35Å; P302-L305 PolarHBondContact O-N 3.4Å; P302-K335 HydrophobicContact CG-CG 4.27Å; P302-T339 WeakPolarHBondContact CD-OG1 3.25Å; P302-T339 HydrophobicContact CG-CG2 3.96Å; P302-T339 WeakPolarHBondContact CG-OG1 3.21Å
303	S	88.9	Confident	87.6	Confident	51 Å²	51	27.9 Å²	27.9	36%	0.357	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-57.4	-32.6	-179.9	67.9	0	0	0	0	112.9	L305 R306 E370 R374	S303-L305 PolarHBondContact O-N 3.45Å; S303-R306 VanDerWaalsContact O-CB 3.23Å; S303-R306 WeakPolarHBondContact O-CB 3.42Å; S303-R306 WeakPolarHBondContact O-CD 3.31Å; S303-R306 WeakPolarHBondContact O-CG 3.43Å; S303-R306 PolarHBondContact O-N 3.23Å; S303-R306 PolarHBondContact O-NH1 2.91Å; S303-E370 PolarHBondContact OG-OE1 3.47Å; S303-R374 PolarHBondContact OG-NH1 3.04Å
304	W	91.3	Very high	87.6	Confident	16 Å²	16	27.7 Å²	27.7	6%	0.061	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-70.4	-19.4	178	71.4	-98	0	0	0	112.9	P302 F307 T339 I343 Y367 F368 G371 V384 L387	P302-W304 HydrophobicContact CB-CG 4.16Å; P302-W304 VanDerWaalsContact CB-NE1 3.3Å; P302-W304 PolarHBondContact O-N 2.83Å; P302-W304 VanDerWaalsContact O-N 3.13Å; W304-F307 WeakPolarHBondContact O-CD1 3.44Å; W304-F307 WeakPolarHBondContact O-CE1 3.36Å; W304-T339 HydrophobicContact CZ2-CG2 3.85Å; W304-I343 HydrophobicContact CH2-CD1 4.22Å; W304-I343 HydrophobicContact CH2-CG1 3.99Å; W304-I343 HydrophobicContact CZ2-CD1 4.2Å; W304-I343 HydrophobicContact CZ2-CG1 4.43Å; W304-Y367 WeakPolarHBondContact CB-O 3.35Å; W304-Y367 VanDerWaalsContact O-CB 3.29Å; W304-Y367 WeakPolarHBondContact O-CB 3.46Å; W304-Y367 VanDerWaalsContact O-CD1 3.29Å; W304-Y367 WeakPolarHBondContact O-CD1 3.39Å; W304-F368 AromaticContact CE3-CD1 3.86Å; W304-F368 HydrophobicContact CE3-CD1 3.86Å; W304-F368 HydrophobicContact CE3-CE1 4.36Å; W304-F368 AromaticContact CZ3-CD1 3.52Å; W304-F368 HydrophobicContact CZ3-CD1 3.52Å; W304-F368 AromaticContact CZ3-CE1 3.81Å; W304-F368 HydrophobicContact CZ3-CE1 3.81Å; W304-G371 VanDerWaalsContact CD1-CA 3.45Å; W304-G371 VanDerWaalsContact CG-CA 3.41Å; W304-V384 HydrophobicContact CH2-CG1 4.26Å; W304-V384 HydrophobicContact CH2-CG2 4.02Å; W304-V384 HydrophobicContact CZ2-CG1 4.42Å; W304-V384 HydrophobicContact CZ2-CG2 3.53Å; W304-V384 HydrophobicContact CZ3-CG1 4.33Å; W304-L387 HydrophobicContact CH2-CD1 4.35Å; W304-L387 HydrophobicContact CZ3-CD1 4.39Å
305	L	92.2	Very high	87.3	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-91.9	12.5	172.2	-75.1	-179.9	0	0	0	113.3	P302 S303 F307 L308 T339 V342	P302-L305 HydrophobicContact CG-CD1 4.35Å; P302-L305 PolarHBondContact O-N 3.4Å; S303-L305 PolarHBondContact O-N 3.45Å; L305-F307 HydrophobicContact CD2-CE1 3.75Å; L305-F307 HydrophobicContact CD2-CZ 3.59Å; L305-F307 PolarHBondContact O-N 3.49Å; L305-L308 HydrophobicContact CB-CD1 3.96Å; L305-L308 HydrophobicContact CB-CG 4.31Å; L305-L308 HydrophobicContact CD1-CD1 4.22Å; L305-L308 HydrophobicContact CD2-CD1 4.18Å; L305-L308 HydrophobicContact CD2-CG 4.44Å; L305-L308 HydrophobicContact CG-CD1 4.36Å; L305-L308 WeakPolarHBondContact O-CB 3.29Å; L305-L308 VanDerWaalsContact O-CG 3.3Å; L305-L308 WeakPolarHBondContact O-CG 3.23Å; L305-L308 PolarHBondContact O-N 2.92Å; L305-T339 HydrophobicContact CD1-CG2 4.26Å; L305-V342 HydrophobicContact CD1-CB 4.24Å; L305-V342 HydrophobicContact CD1-CG1 4.08Å; L305-V342 HydrophobicContact CD2-CG1 3.89Å
306	R	89.4	Confident	86.9	Confident	52 Å²	52	28.3 Å²	28.3	20%	0.196	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.4	-177.7	68	-174.2	171.9	-78.6	3.4	115.6	V282 S303 L308 Y367 E370	V282-R306 HydrophobicContact CG2-CB 3.94Å; S303-R306 VanDerWaalsContact O-CB 3.23Å; S303-R306 WeakPolarHBondContact O-CB 3.42Å; S303-R306 WeakPolarHBondContact O-CD 3.31Å; S303-R306 WeakPolarHBondContact O-CG 3.43Å; S303-R306 PolarHBondContact O-N 3.23Å; S303-R306 PolarHBondContact O-NH1 2.91Å; R306-L308 PolarHBondContact O-N 3.33Å; R306-Y367 HydrophobicContact CG-CD1 4.32Å; R306-Y367 HydrophobicContact CG-CE1 3.74Å; R306-E370 IonicContact CZ-OE2 2.74Å; R306-E370 VanDerWaalsContact CZ-OE2 3.23Å; R306-E370 VanDerWaalsContact NH1-CD 3.28Å; R306-E370 IonicContact NH1-OE1 2.83Å; R306-E370 PolarHBondContact NH1-OE1 2.94Å; R306-E370 VanDerWaalsContact NH1-OE1 3.1Å; R306-E370 IonicContact NH1-OE2 3.44Å; R306-E370 PolarHBondContact NH1-OE2 3.02Å; R306-E370 IonicContact NH2-OE2 3.68Å; R306-E370 PolarHBondContact NH2-OE2 2.85Å
307	F	87	Confident	86.5	Confident	1 Å²	1	27.6 Å²	27.6	0%	0.004	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.6	174.9	63.1	-94.9	0	0	0	112.8	A270 P271 W304 L305 F360 F364 Y367 F368	A270-F307 HydrophobicContact CB-CD2 4.35Å; A270-F307 HydrophobicContact CB-CE2 4.4Å; P271-F307 WeakPolarHBondContact CD-O 3.45Å; W304-F307 WeakPolarHBondContact O-CD1 3.44Å; W304-F307 WeakPolarHBondContact O-CE1 3.36Å; L305-F307 HydrophobicContact CD2-CE1 3.75Å; L305-F307 HydrophobicContact CD2-CZ 3.59Å; L305-F307 PolarHBondContact O-N 3.49Å; F307-F360 HydrophobicContact CE2-CE2 4.41Å; F307-F360 HydrophobicContact CE2-CZ 4.33Å; F307-F360 HydrophobicContact CZ-CZ 4.49Å; F307-F364 HydrophobicContact CB-CD1 3.95Å; F307-F364 HydrophobicContact CB-CE1 3.71Å; F307-F364 HydrophobicContact CD1-CD1 4.09Å; F307-F364 AromaticContact CD2-CD1 3.83Å; F307-F364 HydrophobicContact CD2-CD1 3.83Å; F307-F364 AromaticContact CD2-CE1 3.88Å; F307-F364 HydrophobicContact CD2-CE1 3.88Å; F307-F364 HydrophobicContact CE2-CD1 4.35Å; F307-F364 AromaticContact CG-CD1 3.69Å; F307-F364 HydrophobicContact CG-CD1 3.69Å; F307-F364 AromaticContact CG-CE1 3.85Å; F307-F364 HydrophobicContact CG-CE1 3.85Å; F307-Y367 HydrophobicContact CB-CE1 4.35Å; F307-Y367 HydrophobicContact CB-CE2 4.23Å; F307-Y367 AromaticContact CD1-CD1 3.81Å; F307-Y367 HydrophobicContact CD1-CD1 3.81Å; F307-Y367 AromaticContact CD1-CD2 3.83Å; F307-Y367 HydrophobicContact CD1-CD2 3.83Å; F307-Y367 HydrophobicContact CD1-CE1 4.19Å; F307-Y367 HydrophobicContact CD1-CE2 4.23Å; F307-Y367 AromaticContact CD1-CG 3.61Å; F307-Y367 HydrophobicContact CD1-CG 3.61Å; F307-Y367 HydrophobicContact CE1-CD2 4.42Å; F307-Y367 HydrophobicContact CE1-CG 4.07Å; F307-F368 HydrophobicContact CE1-CE1 4.18Å; F307-F368 HydrophobicContact CZ-CE1 4.05Å
308	L	88.9	Confident	86	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.021	15%	0.153	C	C	.	.			trans	-63.7	134.5	175.4	-70.4	-173.2	0	0	0	111.4	S268 V284 L305 R306 V342	S268-L308 VanDerWaalsContact OG-CB 3.23Å; S268-L308 WeakPolarHBondContact OG-CB 3.4Å; S268-L308 WeakPolarHBondContact OG-CD2 3.37Å; V284-L308 HydrophobicContact CG2-CB 4.01Å; V284-L308 WeakPolarHBondContact CG2-O 3.28Å; L305-L308 HydrophobicContact CB-CD1 3.96Å; L305-L308 HydrophobicContact CB-CG 4.31Å; L305-L308 HydrophobicContact CD1-CD1 4.22Å; L305-L308 HydrophobicContact CD2-CD1 4.18Å; L305-L308 HydrophobicContact CD2-CG 4.44Å; L305-L308 HydrophobicContact CG-CD1 4.36Å; L305-L308 WeakPolarHBondContact O-CB 3.29Å; L305-L308 VanDerWaalsContact O-CG 3.3Å; L305-L308 WeakPolarHBondContact O-CG 3.23Å; L305-L308 PolarHBondContact O-N 2.92Å; R306-L308 PolarHBondContact O-N 3.33Å; L308-V342 HydrophobicContact CD1-CG1 4.22Å; L308-V342 HydrophobicContact CD1-CG2 3.86Å
309	K	87.4	Confident	85.4	Confident	36 Å²	36	25.4 Å²	25.4	16%	0.157	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	138.7	173.3	-59.1	-61.2	-175.9	178.7	0	109.6	Y243 S268 Y269 E281 G283	Y243-K309 HydrophobicContact CE2-CB 4.02Å; Y243-K309 HydrophobicContact CE2-CG 4.33Å; S268-K309 CarbonylContact C-O 3.53Å; S268-K309 WeakPolarHBondContact CA-O 3.32Å; S268-K309 PolarHBondContact OG-O 2.84Å; Y269-K309 WeakPolarHBondContact CD2-O 3.44Å; Y269-K309 PolarHBondContact N-O 2.82Å; Y269-K309 PolarHBondContact O-N 3.01Å; E281-K309 PolarHBondContact O-NZ 3.4Å; G283-K309 VanDerWaalsContact CA-CD 3.49Å; G283-K309 CarbonylContact O-C 3.54Å; G283-K309 WeakPolarHBondContact O-CA 3.5Å
310	G	89.2	Confident	84.9	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.1	-150.8	177.9	0	0	0	0	0	115.2	F267 G283 V284 S285	F267-G310 CarbonylContact O-C 3.59Å; F267-G310 WeakPolarHBondContact O-CA 3.31Å; G283-G310 PolarHBondContact O-N 2.91Å; V284-G310 CarbonylContact C-O 3.45Å; V284-G310 WeakPolarHBondContact CA-O 3.38Å; S285-G310 PolarHBondContact N-O 3.34Å
311	V	90.2	Very high	84.2	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.4	-170.1	169	0	0	0	0	110.7	W227 F242 V246 F267 S285 Y287	W227-V311 HydrophobicContact CD2-CG1 3.85Å; W227-V311 HydrophobicContact CE3-CB 4.15Å; W227-V311 HydrophobicContact CE3-CG1 3.89Å; W227-V311 HydrophobicContact CE3-CG2 4.42Å; W227-V311 HydrophobicContact CG-CG1 4.46Å; W227-V311 HydrophobicContact CH2-CG1 3.96Å; W227-V311 HydrophobicContact CH2-CG2 4.44Å; W227-V311 HydrophobicContact CZ2-CG1 3.97Å; W227-V311 HydrophobicContact CZ3-CB 4.25Å; W227-V311 HydrophobicContact CZ3-CG1 3.97Å; W227-V311 HydrophobicContact CZ3-CG2 4.07Å; F242-V311 HydrophobicContact CE1-CG2 4.4Å; F242-V311 HydrophobicContact CZ-CB 4.39Å; F242-V311 HydrophobicContact CZ-CG2 3.8Å; V246-V311 HydrophobicContact CG1-CG2 4.13Å; F267-V311 WeakPolarHBondContact CA-O 3.35Å; F267-V311 HydrophobicContact CB-CB 4.44Å; F267-V311 PolarHBondContact N-O 3.48Å; F267-V311 PolarHBondContact O-N 3.13Å; F267-V311 VanDerWaalsContact O-O 3.09Å; S285-V311 CarbonylContact O-C 3.55Å; S285-V311 WeakPolarHBondContact O-CA 3.46Å; Y287-V311 HydrophobicContact CD2-CB 4.4Å; Y287-V311 HydrophobicContact CD2-CG1 3.46Å; Y287-V311 VanDerWaalsContact CD2-CG1 3.46Å; Y287-V311 HydrophobicContact CD2-CG2 4.22Å; Y287-V311 HydrophobicContact CE2-CG1 3.95Å; Y287-V311 HydrophobicContact CE2-CG2 3.84Å; Y287-V311 HydrophobicContact CG-CG1 4.17Å
312	I	89.4	Confident	83.5	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.8	164.7	-39.8	-167.7	0	0	0	107.2	G265 F266 V284 S285 L286 Y287 V300 L334 V338	G265-I312 CarbonylContact O-C 3.55Å; F266-I312 HydrophobicContact CD2-CB 4.16Å; F266-I312 HydrophobicContact CD2-CD1 3.66Å; F266-I312 HydrophobicContact CD2-CG1 3.47Å; F266-I312 VanDerWaalsContact CD2-CG1 3.47Å; F266-I312 HydrophobicContact CD2-CG2 4.09Å; F266-I312 HydrophobicContact CE2-CD1 3.55Å; F266-I312 HydrophobicContact CE2-CG1 3.62Å; V284-I312 HydrophobicContact CG1-CD1 3.73Å; V284-I312 HydrophobicContact CG1-CG1 3.42Å; V284-I312 VanDerWaalsContact CG1-CG1 3.42Å; S285-I312 PolarHBondContact O-N 3.45Å; L286-I312 CarbonylContact C-O 3.6Å; L286-I312 WeakPolarHBondContact CA-O 3.44Å; L286-I312 HydrophobicContact CD1-CB 3.86Å; L286-I312 HydrophobicContact CD1-CG2 4.11Å; Y287-I312 PolarHBondContact N-O 3.11Å; V300-I312 HydrophobicContact CB-CD1 4.23Å; V300-I312 HydrophobicContact CG2-CD1 3.65Å; I312-L334 HydrophobicContact CG2-CD1 3.96Å; I312-L334 HydrophobicContact CG2-CD2 4.02Å; I312-L334 HydrophobicContact CG2-CG 4.35Å; I312-V338 HydrophobicContact CD1-CG2 3.96Å
313	D	87.8	Confident	82.8	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.7	174.1	-176.2	0.2	0	0	0	109	W227 R228 S264 G265 Y287 R289 R290	W227-D313 PolarHBondContact NE1-OD2 3.45Å; R228-D313 IonicContact CZ-OD2 3.46Å; R228-D313 IonicContact NE-OD2 2.73Å; R228-D313 PolarHBondContact NE-OD2 3.08Å; R228-D313 IonicContact NH2-OD1 3.87Å; R228-D313 PolarHBondContact NH2-OD1 3.06Å; R228-D313 IonicContact NH2-OD2 2.8Å; R228-D313 PolarHBondContact NH2-OD2 3.22Å; S264-D313 CarbonylContact C-O 3.58Å; S264-D313 VanDerWaalsContact C-O 3.31Å; S264-D313 WeakPolarHBondContact CA-O 3.42Å; S264-D313 WeakPolarHBondContact CB-O 3.29Å; G265-D313 PolarHBondContact N-O 3.36Å; G265-D313 PolarHBondContact O-N 3.19Å; Y287-D313 VanDerWaalsContact O-CA 3.32Å; Y287-D313 WeakPolarHBondContact O-CA 3.25Å; R289-D313 PolarHBondContact N-OD1 3.48Å; R290-D313 PolarHBondContact N-OD2 3.43Å
314	S	83.6	Confident	82	Confident	8 Å²	8	26.1 Å²	26.1	6%	0.056	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.4	-176.4	-178.2	0	0	0	0	111	S264 Y287 C288 I317	S264-S314 WeakPolarHBondContact CB-OG 3.24Å; Y287-S314 PolarHBondContact O-N 3.24Å; Y287-S314 VanDerWaalsContact O-N 3.07Å; C288-S314 PolarHBondContact SG-O 3.31Å; C288-S314 VanDerWaalsContact SG-O 3.39Å; S314-I317 WeakPolarHBondContact OG-CG1 3.48Å
315	E	78.8	Confident	81	Confident	55 Å²	55	31 Å²	31	26%	0.257	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-28.3	-178.3	-62.3	-179.6	167.3	0	0	112.2	R228 R289 I317	R228-E315 IonicContact CZ-OE1 2.64Å; R228-E315 IonicContact NH1-OE1 3.69Å; R228-E315 PolarHBondContact NH1-OE1 3.38Å; R228-E315 IonicContact NH2-OE1 3.47Å; R228-E315 PolarHBondContact NH2-OE1 2.94Å; R289-E315 HydrophobicContact CG-CG 4.47Å; E315-I317 PolarHBondContact O-N 3.27Å
316	D	73.7	Confident	80.1	Confident	109 Å²	109	32.1 Å²	32.1	58%	0.583	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	10	-176.8	-66.6	-25.1	0	0	0	114.3	P318	D316-P318 VanDerWaalsContact O-CD 3.25Å; D316-P318 WeakPolarHBondContact O-CD 3.29Å
317	I	75.8	Confident	79.6	Confident	15 Å²	15	34.8 Å²	34.8	8%	0.077	18%	0.179	C	C	.	.			trans	-82.6	117	-178.1	-68.1	-177.3	0	0	0	109.3	L286 S314 E315 L319 L326 L334	L286-I317 HydrophobicContact CD1-CD1 3.77Å; L286-I317 HydrophobicContact CD2-CD1 3.94Å; L286-I317 HydrophobicContact CG-CD1 4.24Å; S314-I317 WeakPolarHBondContact OG-CG1 3.48Å; E315-I317 PolarHBondContact O-N 3.27Å; I317-L319 HydrophobicContact CG2-CD2 4Å; I317-L319 PolarHBondContact O-N 2.93Å; I317-L326 HydrophobicContact CD1-CD2 4.29Å; I317-L326 HydrophobicContact CG2-CD2 3.2Å; I317-L334 HydrophobicContact CD1-CD2 4.08Å
318	P	74.2	Confident	79.3	Confident	47 Å²	47	43.3 Å²	43.3	31%	0.305	22%	0.216	S	C	.	.			trans	-67.4	109.5	170.7	28.6	-32.5	0	0	0	108.6	D316 Q327 A330	D316-P318 VanDerWaalsContact O-CD 3.25Å; D316-P318 WeakPolarHBondContact O-CD 3.29Å; P318-Q327 HydrophobicContact CB-CG 4.39Å; P318-Q327 HydrophobicContact CG-CB 4.11Å; P318-Q327 HydrophobicContact CG-CG 3.93Å; P318-A330 HydrophobicContact CG-CB 4.21Å
319	L	72.9	Confident	79	Confident	29 Å²	29	47 Å²	47	15%	0.152	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-80.1	143.8	174.8	-61.9	177.2	0	0	0	109.7	F129 C288 I293 I317 R323 L326	F129-L319 WeakPolarHBondContact CZ-O 3.46Å; C288-L319 HydrophobicContact CB-CD1 4.31Å; I293-L319 HydrophobicContact CD1-CD1 3.87Å; I293-L319 HydrophobicContact CD1-CD2 3.7Å; I293-L319 HydrophobicContact CD1-CG 4.47Å; I293-L319 HydrophobicContact CG1-CD2 3.98Å; I293-L319 HydrophobicContact CG2-CD2 3.97Å; I317-L319 HydrophobicContact CG2-CD2 4Å; I317-L319 PolarHBondContact O-N 2.93Å; L319-R323 HydrophobicContact CB-CG 4.44Å; L319-R323 HydrophobicContact CD1-CB 4.22Å; L319-R323 HydrophobicContact CD1-CG 4.13Å; L319-L326 HydrophobicContact CD2-CD2 4.47Å
320	N	75.1	Confident	78.8	Confident	48 Å²	48	46.3 Å²	46.3	26%	0.257	24%	0.244	S	C	.	.			trans	-73.5	173.8	165.3	75.5	-30.3	0	0	0	110.7	S322 R323 E324 L325	N320-S322 PolarHBondContact ND2-OG 3.36Å; N320-S322 PolarHBondContact O-N 3.29Å; N320-S322 PolarHBondContact OD1-OG 2.84Å; N320-R323 PolarHBondContact O-N 2.83Å; N320-R323 VanDerWaalsContact OD1-CA 3.3Å; N320-R323 WeakPolarHBondContact OD1-CA 3.41Å; N320-R323 PolarHBondContact OD1-N 2.89Å; N320-E324 PolarHBondContact OD1-N 3.42Å; N320-L325 HydrophobicContact CB-CB 4.42Å; N320-L325 PolarHBondContact N-O 3.15Å; N320-L325 WeakPolarHBondContact ND2-CB 3.17Å; N320-L325 PolarHBondContact OD1-N 3.26Å; N320-L325 VanDerWaalsContact OD1-N 3.08Å; N320-L325 PolarHBondContact OD1-O 3.05Å
321	L	74.5	Confident	78.5	Confident	72 Å²	72	47.3 Å²	47.3	38%	0.377	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.2	-177.9	-168.3	65.8	0	0	0	113.2	L41 F129 V131	L41-L321 HydrophobicContact CD1-CB 3.87Å; L41-L321 HydrophobicContact CD1-CD2 3.58Å; L41-L321 HydrophobicContact CD1-CG 3.7Å; L41-L321 HydrophobicContact CD2-CD2 4.04Å; L41-L321 HydrophobicContact CD2-CG 3.97Å; L41-L321 HydrophobicContact CG-CD2 4.49Å; L41-L321 HydrophobicContact CG-CG 4.46Å; F129-L321 HydrophobicContact CB-CD1 3.58Å; F129-L321 HydrophobicContact CD1-CD1 3.69Å; F129-L321 HydrophobicContact CD2-CD1 4.27Å; F129-L321 HydrophobicContact CE1-CD1 4.45Å; F129-L321 HydrophobicContact CG-CD1 3.6Å; V131-L321 HydrophobicContact CG2-CD1 3.59Å; V131-L321 HydrophobicContact CG2-CD2 4.49Å; V131-L321 HydrophobicContact CG2-CG 3.97Å
322	S	73.6	Confident	78.3	Confident	7 Å²	7	52.7 Å²	52.7	5%	0.049	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-9.9	175.5	76	0	0	0	0	114.4	L41 R50 N320 E324	L41-S322 WeakPolarHBondContact O-CB 3.23Å; R50-S322 PolarHBondContact NH2-O 3.12Å; N320-S322 PolarHBondContact ND2-OG 3.36Å; N320-S322 PolarHBondContact O-N 3.29Å; N320-S322 PolarHBondContact OD1-OG 2.84Å; S322-E324 PolarHBondContact O-N 3.45Å; S322-E324 PolarHBondContact OG-N 3.37Å
323	R	74.2	Confident	78.2	Confident	15 Å²	15	60 Å²	60	6%	0.057	31%	0.309	C	S	.	.	S	Bend	trans	54.8	31.6	-171.7	-48	172.1	-175.9	-103.5	3.4	114.6	E51 I126 F129 I293 L319 N320	E51-R323 IonicContact OE1-NE 3.49Å; E51-R323 IonicContact OE2-NE 3.55Å; I126-R323 VanDerWaalsContact O-CZ 3.29Å; I126-R323 PolarHBondContact O-NH1 2.75Å; I126-R323 PolarHBondContact O-NH2 3.43Å; F129-R323 HydrophobicContact CE2-CG 4.3Å; I293-R323 HydrophobicContact CD1-CB 4.36Å; L319-R323 HydrophobicContact CB-CG 4.44Å; L319-R323 HydrophobicContact CD1-CB 4.22Å; L319-R323 HydrophobicContact CD1-CG 4.13Å; N320-R323 PolarHBondContact O-N 2.83Å; N320-R323 VanDerWaalsContact OD1-CA 3.3Å; N320-R323 WeakPolarHBondContact OD1-CA 3.41Å; N320-R323 PolarHBondContact OD1-N 2.89Å
324	E	73.8	Confident	78.1	Confident	33 Å²	33	60.7 Å²	60.7	15%	0.154	31%	0.312	C	S	.	.			trans	-117	-30.4	179.4	-67.6	176.2	169.9	0	0	112.3	S43 N320 S322	S43-E324 PolarHBondContact OG-OE2 3.04Å; N320-E324 PolarHBondContact OD1-N 3.42Å; S322-E324 PolarHBondContact O-N 3.45Å; S322-E324 PolarHBondContact OG-N 3.37Å
325	L	69.6	Low	78.4	Confident	119 Å²	119	63.7 Å²	63.7	62%	0.623	32%	0.324	S	S	*	.			trans	-104.8	129.3	-177.4	-61.4	169.9	0	0	0	110.7	N320	N320-L325 HydrophobicContact CB-CB 4.42Å; N320-L325 PolarHBondContact N-O 3.15Å; N320-L325 WeakPolarHBondContact ND2-CB 3.17Å; N320-L325 PolarHBondContact OD1-N 3.26Å; N320-L325 VanDerWaalsContact OD1-N 3.08Å; N320-L325 PolarHBondContact OD1-O 3.05Å
326	L	74.1	Confident	79	Confident	24 Å²	24	64 Å²	64	13%	0.126	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-92.9	145.6	176.6	-58.1	166.3	0	0	0	110.3	L286 I293 V300 I317 L319 I331	L286-L326 HydrophobicContact CD2-CD1 3.18Å; L286-L326 HydrophobicContact CD2-CD2 3.61Å; L286-L326 HydrophobicContact CD2-CG 3.96Å; I293-L326 HydrophobicContact CG2-CD2 4.02Å; V300-L326 HydrophobicContact CG1-CD1 4.27Å; I317-L326 HydrophobicContact CD1-CD2 4.29Å; I317-L326 HydrophobicContact CG2-CD2 3.2Å; L319-L326 HydrophobicContact CD2-CD2 4.47Å; L326-I331 HydrophobicContact CB-CD1 3.54Å; L326-I331 HydrophobicContact CB-CG1 3.5Å; L326-I331 VanDerWaalsContact CB-CG1 3.5Å; L326-I331 HydrophobicContact CD1-CD1 4.15Å; L326-I331 HydrophobicContact CD1-CG1 3.85Å; L326-I331 HydrophobicContact CG-CG1 4.34Å
327	Q	77.4	Confident	79.7	Confident	108 Å²	108	61 Å²	61	51%	0.505	32%	0.322	S	S	.	.			trans	-70.3	134	170.3	-63.4	-174.4	0.3	0	0	110.9	P318 S329 A330 I331	P318-Q327 HydrophobicContact CB-CG 4.39Å; P318-Q327 HydrophobicContact CG-CB 4.11Å; P318-Q327 HydrophobicContact CG-CG 3.93Å; Q327-S329 VanDerWaalsContact C-N 3.26Å; Q327-S329 PolarHBondContact O-N 3.12Å; Q327-S329 VanDerWaalsContact O-N 3.14Å; Q327-A330 PolarHBondContact O-N 2.97Å; Q327-A330 VanDerWaalsContact O-N 3.09Å; Q327-I331 WeakPolarHBondContact O-CG1 3.18Å; Q327-I331 PolarHBondContact O-N 2.98Å
328	K	81.2	Confident	80.4	Confident	179 Å²	179	60.4 Å²	60.4	78%	0.778	32%	0.319	S	S	*	.	H	α-helix	trans	-52.8	-39.1	-176.6	-71.3	-174	176.5	-177.3	0	113.8	I331 L332	K328-I331 PolarHBondContact O-N 3.09Å; K328-L332 WeakPolarHBondContact O-CG 3.17Å; K328-L332 PolarHBondContact O-N 3.01Å; K328-L332 VanDerWaalsContact O-N 3.08Å
329	S	83.2	Confident	81.3	Confident	83 Å²	83	59.2 Å²	59.2	58%	0.58	31%	0.311	S	S	*	.	H	α-helix	trans	-64.4	-42.5	179.9	51.3	0	0	0	0	112.8	Q327 L332 K333	Q327-S329 VanDerWaalsContact C-N 3.26Å; Q327-S329 PolarHBondContact O-N 3.12Å; Q327-S329 VanDerWaalsContact O-N 3.14Å; S329-L332 PolarHBondContact O-N 2.95Å; S329-K333 PolarHBondContact O-N 3.05Å; S329-K333 VanDerWaalsContact O-N 3.14Å
330	A	81.7	Confident	82.2	Confident	21 Å²	21	61.5 Å²	61.5	17%	0.174	33%	0.329	C	S	.	.	H	α-helix	trans	-65.5	-41.7	177.8	0	0	0	0	0	111.4	P318 Q327 K333 L334	P318-A330 HydrophobicContact CG-CB 4.21Å; Q327-A330 PolarHBondContact O-N 2.97Å; Q327-A330 VanDerWaalsContact O-N 3.09Å; A330-K333 PolarHBondContact O-N 2.6Å; A330-L334 WeakPolarHBondContact O-CB 3.34Å; A330-L334 PolarHBondContact O-N 2.99Å
331	I	83.6	Confident	83	Confident	21 Å²	21	62.9 Å²	62.9	11%	0.108	33%	0.333	C	S	.	.	H	α-helix	trans	-59	-49.2	175.8	-61.2	171.4	0	0	0	111	D299 V300 L326 Q327 K328 K333 L334 K335	D299-I331 HydrophobicContact CB-CD1 4.41Å; D299-I331 HydrophobicContact CB-CG2 3.66Å; D299-I331 WeakPolarHBondContact O-CG2 3.15Å; V300-I331 HydrophobicContact CG1-CG2 4.14Å; L326-I331 HydrophobicContact CB-CD1 3.54Å; L326-I331 HydrophobicContact CB-CG1 3.5Å; L326-I331 VanDerWaalsContact CB-CG1 3.5Å; L326-I331 HydrophobicContact CD1-CD1 4.15Å; L326-I331 HydrophobicContact CD1-CG1 3.85Å; L326-I331 HydrophobicContact CG-CG1 4.34Å; Q327-I331 WeakPolarHBondContact O-CG1 3.18Å; Q327-I331 PolarHBondContact O-N 2.98Å; K328-I331 PolarHBondContact O-N 3.09Å; I331-K333 VanDerWaalsContact C-N 3.34Å; I331-K333 PolarHBondContact O-N 2.84Å; I331-L334 PolarHBondContact O-N 3.25Å; I331-K335 VanDerWaalsContact O-CB 3.28Å; I331-K335 WeakPolarHBondContact O-CB 3.46Å; I331-K335 PolarHBondContact O-N 3.02Å
332	L	85.8	Confident	83.9	Confident	114 Å²	114	59.5 Å²	59.5	60%	0.597	32%	0.315	S	S	*	.	H	α-helix	trans	-61.6	-42.5	-179	-71.2	172.9	0	0	0	111.9	K328 S329 K335 A336	K328-L332 WeakPolarHBondContact O-CG 3.17Å; K328-L332 PolarHBondContact O-N 3.01Å; K328-L332 VanDerWaalsContact O-N 3.08Å; S329-L332 PolarHBondContact O-N 2.95Å; L332-K335 PolarHBondContact O-N 3.42Å; L332-A336 WeakPolarHBondContact O-CB 3.48Å; L332-A336 PolarHBondContact O-N 3.02Å
333	K	86.7	Confident	84.9	Confident	153 Å²	153	59.8 Å²	59.8	67%	0.665	32%	0.316	S	S	*	.	H	α-helix	trans	-62.2	-47	176.3	-173	-177.9	178	-171.5	0	111.2	S329 A330 I331 A336 V337	S329-K333 PolarHBondContact O-N 3.05Å; S329-K333 VanDerWaalsContact O-N 3.14Å; A330-K333 PolarHBondContact O-N 2.6Å; I331-K333 VanDerWaalsContact C-N 3.34Å; I331-K333 PolarHBondContact O-N 2.84Å; K333-A336 PolarHBondContact O-N 3.33Å; K333-V337 WeakPolarHBondContact O-CG2 3.46Å; K333-V337 PolarHBondContact O-N 2.66Å; K333-V337 VanDerWaalsContact O-N 3.1Å
334	L	87.5	Confident	85.9	Confident	15 Å²	15	64.8 Å²	64.8	8%	0.079	34%	0.338	C	S	.	.	H	α-helix	trans	-62	-45.6	178.5	-173.9	62.1	0	0	0	111.3	L286 V300 I312 I317 A330 I331 A336 V337 V338	L286-L334 HydrophobicContact CD1-CD2 3.87Å; V300-L334 HydrophobicContact CB-CD2 4.08Å; V300-L334 HydrophobicContact CG1-CD2 3.85Å; I312-L334 HydrophobicContact CG2-CD1 3.96Å; I312-L334 HydrophobicContact CG2-CD2 4.02Å; I312-L334 HydrophobicContact CG2-CG 4.35Å; I317-L334 HydrophobicContact CD1-CD2 4.08Å; A330-L334 WeakPolarHBondContact O-CB 3.34Å; A330-L334 PolarHBondContact O-N 2.99Å; I331-L334 PolarHBondContact O-N 3.25Å; L334-A336 VanDerWaalsContact C-N 3.33Å; L334-A336 PolarHBondContact O-N 3.47Å; L334-V337 PolarHBondContact O-N 2.88Å; L334-V338 HydrophobicContact CD1-CG2 4.25Å; L334-V338 HydrophobicContact CG-CG2 4.33Å; L334-V338 WeakPolarHBondContact O-CB 3.23Å; L334-V338 VanDerWaalsContact O-CG2 3.23Å; L334-V338 WeakPolarHBondContact O-CG2 3.2Å; L334-V338 PolarHBondContact O-N 3.04Å
335	K	90	Very high	86.8	Confident	70 Å²	70	66.1 Å²	66.1	30%	0.304	34%	0.342	S	S	.	.	H	α-helix	trans	-56.6	-45.3	176.5	-174.4	-175.6	-177.5	-179.7	0	112	V300 P302 I331 L332 T339	V300-K335 VanDerWaalsContact O-CA 3.27Å; V300-K335 WeakPolarHBondContact O-CA 3.43Å; P302-K335 HydrophobicContact CG-CG 4.27Å; I331-K335 VanDerWaalsContact O-CB 3.28Å; I331-K335 WeakPolarHBondContact O-CB 3.46Å; I331-K335 PolarHBondContact O-N 3.02Å; L332-K335 PolarHBondContact O-N 3.42Å; K335-T339 VanDerWaalsContact O-CB 3.28Å; K335-T339 WeakPolarHBondContact O-CB 3.2Å; K335-T339 PolarHBondContact O-N 2.9Å; K335-T339 PolarHBondContact O-OG1 3.39Å
336	A	89.5	Confident	88	Confident	63 Å²	63	60.7 Å²	60.7	52%	0.521	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-46.5	177.9	0	0	0	0	0	112.2	L332 K333 L334 T339 S340	L332-A336 WeakPolarHBondContact O-CB 3.48Å; L332-A336 PolarHBondContact O-N 3.02Å; K333-A336 PolarHBondContact O-N 3.33Å; L334-A336 VanDerWaalsContact C-N 3.33Å; L334-A336 PolarHBondContact O-N 3.47Å; A336-T339 PolarHBondContact O-N 3.47Å; A336-S340 WeakPolarHBondContact O-CB 3.05Å; A336-S340 PolarHBondContact O-N 3.18Å
337	V	89.8	Confident	89	Confident	45 Å²	45	61.8 Å²	61.8	27%	0.273	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-48.3	178.9	172.6	0	0	0	0	111.2	V262 K333 L334 S340 K341	V262-V337 HydrophobicContact CG1-CG1 4.23Å; K333-V337 WeakPolarHBondContact O-CG2 3.46Å; K333-V337 PolarHBondContact O-N 2.66Å; K333-V337 VanDerWaalsContact O-N 3.1Å; L334-V337 PolarHBondContact O-N 2.88Å; V337-S340 PolarHBondContact O-N 2.91Å; V337-K341 HydrophobicContact CG1-CG 4.46Å; V337-K341 VanDerWaalsContact O-CG 3.24Å; V337-K341 WeakPolarHBondContact O-CG 3.46Å; V337-K341 PolarHBondContact O-N 3.24Å
338	V	90	Very high	89.8	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.012	31%	0.311	C	S	.	.	H	α-helix	trans	-60	-49.5	179.5	169.5	0	0	0	0	110.8	F266 I301 I312 L334 S340 K341 V342	F266-V338 HydrophobicContact CD2-CB 4.44Å; F266-V338 HydrophobicContact CD2-CG1 3.97Å; F266-V338 HydrophobicContact CD2-CG2 3.66Å; F266-V338 HydrophobicContact CE1-CG1 4.28Å; F266-V338 HydrophobicContact CE2-CB 4.18Å; F266-V338 HydrophobicContact CE2-CG1 3.28Å; F266-V338 HydrophobicContact CE2-CG2 3.81Å; F266-V338 HydrophobicContact CG-CG2 4.45Å; F266-V338 HydrophobicContact CZ-CG1 3.44Å; F266-V338 VanDerWaalsContact CZ-CG1 3.44Å; I301-V338 HydrophobicContact CG2-CG1 4.16Å; I312-V338 HydrophobicContact CD1-CG2 3.96Å; L334-V338 HydrophobicContact CD1-CG2 4.25Å; L334-V338 HydrophobicContact CG-CG2 4.33Å; L334-V338 WeakPolarHBondContact O-CB 3.23Å; L334-V338 VanDerWaalsContact O-CG2 3.23Å; L334-V338 WeakPolarHBondContact O-CG2 3.2Å; L334-V338 PolarHBondContact O-N 3.04Å; V338-S340 VanDerWaalsContact C-N 3.35Å; V338-S340 PolarHBondContact O-N 3.25Å; V338-K341 PolarHBondContact O-N 3.01Å; V338-V342 HydrophobicContact CG1-CG2 4.29Å; V338-V342 VanDerWaalsContact O-CG2 3.31Å; V338-V342 WeakPolarHBondContact O-CG2 3.29Å; V338-V342 PolarHBondContact O-N 3.22Å
339	T	92.3	Very high	90.4	Very high	22 Å²	22	52.2 Å²	52.2	14%	0.135	28%	0.279	C	S	.	.	H	α-helix	trans	-59.2	-46.9	-179.4	-55.1	0	0	0	0	111.2	P302 W304 L305 K335 A336 K341 V342 I343	P302-T339 WeakPolarHBondContact CD-OG1 3.25Å; P302-T339 HydrophobicContact CG-CG2 3.96Å; P302-T339 WeakPolarHBondContact CG-OG1 3.21Å; W304-T339 HydrophobicContact CZ2-CG2 3.85Å; L305-T339 HydrophobicContact CD1-CG2 4.26Å; K335-T339 VanDerWaalsContact O-CB 3.28Å; K335-T339 WeakPolarHBondContact O-CB 3.2Å; K335-T339 PolarHBondContact O-N 2.9Å; K335-T339 PolarHBondContact O-OG1 3.39Å; A336-T339 PolarHBondContact O-N 3.47Å; T339-K341 VanDerWaalsContact C-N 3.34Å; T339-K341 PolarHBondContact O-N 3Å; T339-V342 PolarHBondContact O-N 3.31Å; T339-I343 HydrophobicContact CG2-CD1 3.88Å; T339-I343 HydrophobicContact CG2-CG1 4.49Å; T339-I343 VanDerWaalsContact O-CG1 3.31Å; T339-I343 WeakPolarHBondContact O-CG1 3.3Å; T339-I343 PolarHBondContact O-N 3.23Å
340	S	92.6	Very high	91	Very high	77 Å²	77	49.3 Å²	49.3	54%	0.538	26%	0.257	S	S	.	.	H	α-helix	trans	-59.6	-43.3	178.1	-177.7	0	0	0	0	112.2	A336 V337 V338 K344	A336-S340 WeakPolarHBondContact O-CB 3.05Å; A336-S340 PolarHBondContact O-N 3.18Å; V337-S340 PolarHBondContact O-N 2.91Å; V338-S340 VanDerWaalsContact C-N 3.35Å; V338-S340 PolarHBondContact O-N 3.25Å; S340-K344 WeakPolarHBondContact O-CB 3.5Å; S340-K344 PolarHBondContact O-N 3.33Å
341	K	92.2	Very high	91.5	Very high	78 Å²	78	56 Å²	56	34%	0.339	28%	0.282	S	S	.	.	H	α-helix	trans	-68.9	-40.3	179.8	-69	-77.5	170.9	165	0	112.6	F260 V262 V337 V338 T339 K344 Y345	F260-K341 HydrophobicContact CD1-CB 3.86Å; F260-K341 HydrophobicContact CD1-CG 4.32Å; F260-K341 HydrophobicContact CD2-CG 4.31Å; F260-K341 HydrophobicContact CE1-CB 3.29Å; F260-K341 HydrophobicContact CE1-CG 3.94Å; F260-K341 HydrophobicContact CE2-CB 4.18Å; F260-K341 HydrophobicContact CE2-CG 3.91Å; F260-K341 HydrophobicContact CG-CD 4.49Å; F260-K341 HydrophobicContact CG-CG 4.5Å; F260-K341 HydrophobicContact CZ-CB 3.48Å; F260-K341 VanDerWaalsContact CZ-CB 3.48Å; F260-K341 HydrophobicContact CZ-CG 3.73Å; V262-K341 HydrophobicContact CG2-CD 4.43Å; V337-K341 HydrophobicContact CG1-CG 4.46Å; V337-K341 VanDerWaalsContact O-CG 3.24Å; V337-K341 WeakPolarHBondContact O-CG 3.46Å; V337-K341 PolarHBondContact O-N 3.24Å; V338-K341 PolarHBondContact O-N 3.01Å; T339-K341 VanDerWaalsContact C-N 3.34Å; T339-K341 PolarHBondContact O-N 3Å; K341-K344 PolarHBondContact O-N 3.42Å; K341-Y345 WeakPolarHBondContact O-CB 3.47Å; K341-Y345 PolarHBondContact O-N 3.5Å
342	V	92.9	Very high	92.1	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-48.1	175.9	171.6	0	0	0	0	110.6	I258 F266 L305 L308 V338 T339 K344 Y345 L346	I258-V342 HydrophobicContact CD1-CB 4.4Å; I258-V342 HydrophobicContact CD1-CG1 4.2Å; I258-V342 HydrophobicContact CD1-CG2 4.08Å; F266-V342 HydrophobicContact CE1-CG2 4.05Å; F266-V342 HydrophobicContact CZ-CG2 4.21Å; L305-V342 HydrophobicContact CD1-CB 4.24Å; L305-V342 HydrophobicContact CD1-CG1 4.08Å; L305-V342 HydrophobicContact CD2-CG1 3.89Å; L308-V342 HydrophobicContact CD1-CG1 4.22Å; L308-V342 HydrophobicContact CD1-CG2 3.86Å; V338-V342 HydrophobicContact CG1-CG2 4.29Å; V338-V342 VanDerWaalsContact O-CG2 3.31Å; V338-V342 WeakPolarHBondContact O-CG2 3.29Å; V338-V342 PolarHBondContact O-N 3.22Å; T339-V342 PolarHBondContact O-N 3.31Å; V342-K344 VanDerWaalsContact C-N 3.34Å; V342-K344 PolarHBondContact O-N 2.9Å; V342-Y345 PolarHBondContact O-N 3.33Å; V342-L346 HydrophobicContact CG1-CD1 4.03Å; V342-L346 HydrophobicContact CG1-CG 4.44Å; V342-L346 WeakPolarHBondContact O-CG 3.46Å; V342-L346 PolarHBondContact O-N 2.92Å
343	I	94.4	Very high	92.5	Very high	12 Å²	12	60.6 Å²	60.6	6%	0.062	30%	0.299	C	S	.	.	H	α-helix	trans	-57.5	-49.8	176.9	-69.7	171.5	0	0	0	109.9	W304 T339 Y345 L346 Q347 N383 V384 L387	W304-I343 HydrophobicContact CH2-CD1 4.22Å; W304-I343 HydrophobicContact CH2-CG1 3.99Å; W304-I343 HydrophobicContact CZ2-CD1 4.2Å; W304-I343 HydrophobicContact CZ2-CG1 4.43Å; T339-I343 HydrophobicContact CG2-CD1 3.88Å; T339-I343 HydrophobicContact CG2-CG1 4.49Å; T339-I343 VanDerWaalsContact O-CG1 3.31Å; T339-I343 WeakPolarHBondContact O-CG1 3.3Å; T339-I343 PolarHBondContact O-N 3.23Å; I343-Y345 PolarHBondContact O-N 3.42Å; I343-L346 PolarHBondContact O-N 2.89Å; I343-Q347 HydrophobicContact CG2-CG 4.36Å; I343-Q347 WeakPolarHBondContact O-CG 3.3Å; I343-Q347 PolarHBondContact O-N 3.03Å; I343-N383 HydrophobicContact CD1-CB 4.17Å; I343-N383 WeakPolarHBondContact CG2-O 3.4Å; I343-V384 HydrophobicContact CD1-CG2 4.22Å; I343-L387 HydrophobicContact CG1-CD1 4.21Å; I343-L387 HydrophobicContact CG2-CD2 4.34Å; I343-L387 HydrophobicContact CG2-CG 4.48Å
344	K	94.5	Very high	92.8	Very high	121 Å²	121	57 Å²	57	53%	0.526	29%	0.292	S	S	.	.	H	α-helix	trans	-57.7	-46.9	178.3	-177.5	175.4	-179.9	175.4	0	112.2	S340 K341 V342 L346 Q347 D348	S340-K344 WeakPolarHBondContact O-CB 3.5Å; S340-K344 PolarHBondContact O-N 3.33Å; K341-K344 PolarHBondContact O-N 3.42Å; V342-K344 VanDerWaalsContact C-N 3.34Å; V342-K344 PolarHBondContact O-N 2.9Å; K344-L346 VanDerWaalsContact C-N 3.33Å; K344-L346 PolarHBondContact O-N 3.28Å; K344-Q347 PolarHBondContact O-N 3.33Å; K344-D348 VanDerWaalsContact O-CG 3.29Å; K344-D348 PolarHBondContact O-N 3Å
345	Y	94.1	Very high	93.1	Very high	60 Å²	60	63.8 Å²	63.8	24%	0.235	32%	0.323	C	S	.	.	H	α-helix	trans	-59.5	-44.1	178.9	178.1	-84.7	0	0	0	111.9	Y256 T257 I258 K341 V342 I343 D348 N349	Y256-Y345 HydrophobicContact CD1-CE1 4.04Å; Y256-Y345 HydrophobicContact CG-CE1 4.11Å; T257-Y345 WeakPolarHBondContact O-CE2 3.46Å; T257-Y345 PolarHBondContact O-OH 3.21Å; T257-Y345 VanDerWaalsContact O-OH 3.1Å; I258-Y345 HydrophobicContact CB-CD2 4.49Å; I258-Y345 HydrophobicContact CB-CG 4.49Å; I258-Y345 HydrophobicContact CD1-CD1 3.57Å; I258-Y345 HydrophobicContact CD1-CE1 4.19Å; I258-Y345 HydrophobicContact CD1-CG 3.86Å; I258-Y345 HydrophobicContact CG1-CD1 3.48Å; I258-Y345 VanDerWaalsContact CG1-CD1 3.48Å; I258-Y345 HydrophobicContact CG1-CD2 4.05Å; I258-Y345 HydrophobicContact CG1-CE1 3.68Å; I258-Y345 HydrophobicContact CG1-CE2 4.2Å; I258-Y345 HydrophobicContact CG1-CG 3.7Å; I258-Y345 HydrophobicContact CG2-CD2 4.22Å; I258-Y345 HydrophobicContact CG2-CG 4.25Å; K341-Y345 WeakPolarHBondContact O-CB 3.47Å; K341-Y345 PolarHBondContact O-N 3.5Å; V342-Y345 PolarHBondContact O-N 3.33Å; I343-Y345 PolarHBondContact O-N 3.42Å; Y345-D348 PolarHBondContact O-N 3.41Å; Y345-N349 WeakPolarHBondContact CD1-ND2 3.06Å; Y345-N349 WeakPolarHBondContact CE1-ND2 3.43Å; Y345-N349 PolarHBondContact O-N 3.26Å; Y345-N349 PolarHBondContact O-ND2 3.47Å
346	L	94.7	Very high	93.2	Very high	5 Å²	5	64 Å²	64	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-66.2	-40.4	178.5	-70.3	177.8	0	0	0	111.7	Y256 V342 I343 K344 D348 N349 M350 Y357 F360 F368 L387	Y256-L346 HydrophobicContact CD2-CD2 4.3Å; V342-L346 HydrophobicContact CG1-CD1 4.03Å; V342-L346 HydrophobicContact CG1-CG 4.44Å; V342-L346 WeakPolarHBondContact O-CG 3.46Å; V342-L346 PolarHBondContact O-N 2.92Å; I343-L346 PolarHBondContact O-N 2.89Å; K344-L346 VanDerWaalsContact C-N 3.33Å; K344-L346 PolarHBondContact O-N 3.28Å; L346-D348 PolarHBondContact O-N 2.91Å; L346-N349 PolarHBondContact O-N 2.98Å; L346-M350 WeakPolarHBondContact O-CB 3.35Å; L346-M350 PolarHBondContact O-N 2.66Å; L346-Y357 HydrophobicContact CB-CE2 4.18Å; L346-Y357 WeakPolarHBondContact O-CE2 3.49Å; L346-F360 HydrophobicContact CD1-CE1 4.19Å; L346-F360 HydrophobicContact CD1-CZ 4.14Å; L346-F360 HydrophobicContact CD2-CD1 4.43Å; L346-F360 HydrophobicContact CD2-CE1 3.62Å; L346-F360 HydrophobicContact CD2-CZ 3.67Å; L346-F360 HydrophobicContact CG-CE1 4.48Å; L346-F368 HydrophobicContact CD1-CE1 4.28Å; L346-F368 HydrophobicContact CD1-CZ 4.07Å; L346-L387 HydrophobicContact CB-CD2 3.6Å; L346-L387 HydrophobicContact CD1-CD1 3.94Å; L346-L387 HydrophobicContact CD1-CD2 4.45Å
347	Q	95	Very high	93.5	Very high	48 Å²	48	61 Å²	61	22%	0.224	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-39.7	173.2	-69.7	-173.8	-89.3	0	0	112.8	I343 K344 M350 K351 K386 L387	I343-Q347 HydrophobicContact CG2-CG 4.36Å; I343-Q347 WeakPolarHBondContact O-CG 3.3Å; I343-Q347 PolarHBondContact O-N 3.03Å; K344-Q347 PolarHBondContact O-N 3.33Å; Q347-M350 WeakPolarHBondContact O-CB 3.39Å; Q347-M350 PolarHBondContact O-N 3.22Å; Q347-K351 PolarHBondContact O-N 3.44Å; Q347-K386 HydrophobicContact CG-CB 4.29Å; Q347-L387 HydrophobicContact CG-CD2 3.78Å
348	D	95	Very high	93.7	Very high	64 Å²	64	62 Å²	62	34%	0.342	30%	0.301	S	S	.	.	H	α-helix	trans	-66.3	-39.6	177.3	-70.2	-19.7	0	0	0	110.7	K344 Y345 L346 K351 K352	K344-D348 VanDerWaalsContact O-CG 3.29Å; K344-D348 PolarHBondContact O-N 3Å; Y345-D348 PolarHBondContact O-N 3.41Å; L346-D348 PolarHBondContact O-N 2.91Å; D348-K351 PolarHBondContact O-N 3.4Å; D348-K352 WeakPolarHBondContact O-CB 3.29Å; D348-K352 VanDerWaalsContact O-CG 3.29Å; D348-K352 WeakPolarHBondContact O-CG 3.46Å; D348-K352 PolarHBondContact O-N 3.23Å
349	N	93.5	Very high	93.8	Very high	21 Å²	21	65.8 Å²	65.8	11%	0.112	32%	0.32	C	S	.	.	H	α-helix	trans	-70	-35.6	176	-80.5	-92.7	0	0	0	112.6	Y256 Y345 L346 K351 K352 D353	Y256-N349 HydrophobicContact CE1-CB 3.87Å; Y256-N349 VanDerWaalsContact CE1-OD1 3.3Å; Y256-N349 WeakPolarHBondContact CE1-OD1 3.48Å; Y345-N349 WeakPolarHBondContact CD1-ND2 3.06Å; Y345-N349 WeakPolarHBondContact CE1-ND2 3.43Å; Y345-N349 PolarHBondContact O-N 3.26Å; Y345-N349 PolarHBondContact O-ND2 3.47Å; L346-N349 PolarHBondContact O-N 2.98Å; N349-K351 PolarHBondContact O-N 2.96Å; N349-K352 PolarHBondContact O-N 2.97Å; N349-D353 CarbonylContact O-C 3.32Å; N349-D353 PolarHBondContact O-N 2.85Å
350	M	94.6	Very high	93.8	Very high	23 Å²	23	64.8 Å²	64.8	11%	0.113	31%	0.314	C	S	.	.	H	α-helix	trans	-55.8	-34.2	172.1	-176.8	176.4	71.2	0	0	112.3	L346 Q347 Y357 L389	L346-M350 WeakPolarHBondContact O-CB 3.35Å; L346-M350 PolarHBondContact O-N 2.66Å; Q347-M350 WeakPolarHBondContact O-CB 3.39Å; Q347-M350 PolarHBondContact O-N 3.22Å; M350-Y357 HydrophobicContact CB-CD1 3.76Å; M350-Y357 HydrophobicContact CB-CD2 3.84Å; M350-Y357 HydrophobicContact CB-CE1 3.92Å; M350-Y357 HydrophobicContact CB-CE2 4Å; M350-Y357 HydrophobicContact CB-CG 3.71Å; M350-Y357 HydrophobicContact CG-CD1 3.58Å; M350-Y357 HydrophobicContact CG-CE1 3.69Å; M350-Y357 HydrophobicContact CG-CG 4.05Å; M350-Y357 HydrophobicContact SD-CD1 4.23Å; M350-Y357 HydrophobicContact SD-CE1 3.71Å; M350-L389 HydrophobicContact SD-CD2 3.87Å
351	K	93.7	Very high	93.9	Very high	161 Å²	161	61.5 Å²	61.5	70%	0.7	29%	0.29	S	S	*	.	H	α-helix	trans	-84.3	-36.9	176.6	-65.6	178.6	-179.4	-177.3	0	113.5	Q347 D348 N349	Q347-K351 PolarHBondContact O-N 3.44Å; D348-K351 PolarHBondContact O-N 3.4Å; N349-K351 PolarHBondContact O-N 2.96Å
352	K	94.7	Very high	93.9	Very high	166 Å²	166	59.8 Å²	59.8	72%	0.722	29%	0.288	S	S	*	.	H	α-helix	trans	-74.2	-41	-176.1	-75.1	176	-179	-177.7	0	113	D348 N349	D348-K352 WeakPolarHBondContact O-CB 3.29Å; D348-K352 VanDerWaalsContact O-CG 3.29Å; D348-K352 WeakPolarHBondContact O-CG 3.46Å; D348-K352 PolarHBondContact O-N 3.23Å; N349-K352 PolarHBondContact O-N 2.97Å
353	D	94	Very high	93.7	Very high	65 Å²	65	62.9 Å²	62.9	35%	0.348	30%	0.302	S	S	.	.			trans	-143.6	80.5	-176.8	-172.7	-15.2	0	0	0	109.4	N349 E355 K356 Y357	N349-D353 CarbonylContact O-C 3.32Å; N349-D353 PolarHBondContact O-N 2.85Å; D353-E355 VanDerWaalsContact C-N 3.28Å; D353-E355 PolarHBondContact O-N 3.4Å; D353-K356 HydrophobicContact CB-CB 4.08Å; D353-K356 PolarHBondContact O-N 3.25Å; D353-K356 VanDerWaalsContact OD1-CB 3.29Å; D353-K356 WeakPolarHBondContact OD1-CB 3.37Å; D353-K356 PolarHBondContact OD1-N 3Å; D353-K356 WeakPolarHBondContact OD2-CB 3.45Å; D353-Y357 WeakPolarHBondContact O-CB 3.25Å; D353-Y357 PolarHBondContact O-N 3.1Å
354	P	93.4	Very high	93.5	Very high	79 Å²	79	62.7 Å²	62.7	51%	0.513	30%	0.301	S	S	.	.	H	α-helix	trans	-58.6	-37.1	-176.7	-25.4	34.8	0	0	0	113.3	Y357 E358	P354-Y357 PolarHBondContact O-N 2.98Å; P354-E358 WeakPolarHBondContact O-CB 3.34Å; P354-E358 PolarHBondContact O-N 2.82Å
355	E	93.4	Very high	93.4	Very high	156 Å²	156	60.7 Å²	60.7	73%	0.729	29%	0.29	S	S	*	.	H	α-helix	trans	-66.8	-48.4	-179.6	-66.2	-177.3	-176.7	0	0	111.3	D353 Y357 E358 I359	D353-E355 VanDerWaalsContact C-N 3.28Å; D353-E355 PolarHBondContact O-N 3.4Å; E355-Y357 VanDerWaalsContact C-N 3.29Å; E355-Y357 PolarHBondContact O-N 3.33Å; E355-E358 PolarHBondContact O-N 2.96Å; E355-I359 WeakPolarHBondContact O-CG1 3.22Å; E355-I359 PolarHBondContact O-N 3.35Å; E355-I359 VanDerWaalsContact O-N 3.11Å
356	K	93.1	Very high	93.2	Very high	75 Å²	75	60.6 Å²	60.6	33%	0.326	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-38.2	175.7	-175	-179.3	177.2	177.7	0	111.7	R255 Y256 D353 F360	R255-K356 WeakPolarHBondContact O-CE 3.3Å; R255-K356 PolarHBondContact O-NZ 3.41Å; Y256-K356 HydrophobicContact CE1-CD 4.02Å; Y256-K356 HydrophobicContact CE1-CG 4.38Å; D353-K356 HydrophobicContact CB-CB 4.08Å; D353-K356 PolarHBondContact O-N 3.25Å; D353-K356 VanDerWaalsContact OD1-CB 3.29Å; D353-K356 WeakPolarHBondContact OD1-CB 3.37Å; D353-K356 PolarHBondContact OD1-N 3Å; D353-K356 WeakPolarHBondContact OD2-CB 3.45Å; K356-F360 PolarHBondContact O-N 3.48Å
357	Y	95.3	Very high	93.1	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-67.4	-38.2	175.9	-174.1	-92.5	0	0	0	112.3	Y256 L346 M350 D353 P354 E355 I359 F360 Y361 L387 L389	Y256-Y357 VanDerWaalsContact OH-CA 3.31Å; Y256-Y357 WeakPolarHBondContact OH-CA 3.4Å; Y256-Y357 PolarHBondContact OH-N 3.16Å; L346-Y357 HydrophobicContact CB-CE2 4.18Å; L346-Y357 WeakPolarHBondContact O-CE2 3.49Å; M350-Y357 HydrophobicContact CB-CD1 3.76Å; M350-Y357 HydrophobicContact CB-CD2 3.84Å; M350-Y357 HydrophobicContact CB-CE1 3.92Å; M350-Y357 HydrophobicContact CB-CE2 4Å; M350-Y357 HydrophobicContact CB-CG 3.71Å; M350-Y357 HydrophobicContact CG-CD1 3.58Å; M350-Y357 HydrophobicContact CG-CE1 3.69Å; M350-Y357 HydrophobicContact CG-CG 4.05Å; M350-Y357 HydrophobicContact SD-CD1 4.23Å; M350-Y357 HydrophobicContact SD-CE1 3.71Å; D353-Y357 WeakPolarHBondContact O-CB 3.25Å; D353-Y357 PolarHBondContact O-N 3.1Å; P354-Y357 PolarHBondContact O-N 2.98Å; E355-Y357 VanDerWaalsContact C-N 3.29Å; E355-Y357 PolarHBondContact O-N 3.33Å; Y357-I359 PolarHBondContact O-N 3Å; Y357-F360 HydrophobicContact CD2-CD1 4.04Å; Y357-F360 AromaticContact CE2-CD1 3.89Å; Y357-F360 HydrophobicContact CE2-CD1 3.89Å; Y357-F360 HydrophobicContact CE2-CE1 4.06Å; Y357-F360 CarbonylContact O-C 3.56Å; Y357-F360 WeakPolarHBondContact O-CB 3.32Å; Y357-F360 PolarHBondContact O-N 3.13Å; Y357-F360 VanDerWaalsContact O-N 3.16Å; Y357-Y361 WeakPolarHBondContact O-CB 3.47Å; Y357-Y361 PolarHBondContact O-N 3.1Å; Y357-L387 WeakPolarHBondContact OH-CA 3.28Å; Y357-L387 WeakPolarHBondContact OH-CB 3.4Å; Y357-L387 PolarHBondContact OH-O 3Å; Y357-L389 HydrophobicContact CD1-CD1 3.78Å; Y357-L389 HydrophobicContact CD1-CG 4.5Å; Y357-L389 HydrophobicContact CE1-CD1 3.78Å; Y357-L389 HydrophobicContact CE1-CG 4.06Å
358	E	94.1	Very high	93.2	Very high	65 Å²	65	58.4 Å²	58.4	30%	0.304	28%	0.281	S	S	.	.	H	α-helix	trans	-63.1	-41.7	176.4	-178.9	170.7	173.3	0	0	112	P354 E355 F360 Y361 S362 K400	P354-E358 WeakPolarHBondContact O-CB 3.34Å; P354-E358 PolarHBondContact O-N 2.82Å; E355-E358 PolarHBondContact O-N 2.96Å; E358-F360 VanDerWaalsContact C-N 3.32Å; E358-F360 PolarHBondContact O-N 2.85Å; E358-Y361 PolarHBondContact O-N 2.93Å; E358-S362 PolarHBondContact O-N 3.43Å; E358-K400 HydrophobicContact CG-CD 4.13Å; E358-K400 WeakPolarHBondContact OE1-CE 3.32Å; E358-K400 IonicContact OE1-NZ 2.59Å; E358-K400 PolarHBondContact OE1-NZ 3.28Å
359	I	92.4	Very high	93.1	Very high	82 Å²	82	55.6 Å²	55.6	42%	0.421	27%	0.266	S	S	.	.	H	α-helix	trans	-63.4	-39.9	173.3	-61.5	167	0	0	0	110.5	R255 E355 Y357 S362 H363	R255-I359 VanDerWaalsContact NH1-CG2 3.31Å; E355-I359 WeakPolarHBondContact O-CG1 3.22Å; E355-I359 PolarHBondContact O-N 3.35Å; E355-I359 VanDerWaalsContact O-N 3.11Å; Y357-I359 PolarHBondContact O-N 3Å; I359-S362 PolarHBondContact O-OG 3.39Å; I359-H363 PolarHBondContact O-CE1 3.45Å; I359-H363 PolarHBondContact O-ND1 2.65Å
360	F	92.7	Very high	93	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.3	-47.5	173.8	164.8	-99.3	0	0	0	111.7	Y256 A270 F307 L346 K356 Y357 E358 S362 H363 F364 F368	Y256-F360 HydrophobicContact CD2-CB 4.47Å; Y256-F360 AromaticContact CD2-CD2 3.81Å; Y256-F360 HydrophobicContact CD2-CD2 3.81Å; Y256-F360 HydrophobicContact CD2-CE2 4.15Å; Y256-F360 HydrophobicContact CD2-CG 4.05Å; Y256-F360 HydrophobicContact CE2-CB 3.63Å; Y256-F360 AromaticContact CE2-CD1 3.95Å; Y256-F360 HydrophobicContact CE2-CD1 3.95Å; Y256-F360 AromaticContact CE2-CD2 3.78Å; Y256-F360 HydrophobicContact CE2-CD2 3.78Å; Y256-F360 HydrophobicContact CE2-CE2 4.43Å; Y256-F360 AromaticContact CE2-CG 3.52Å; Y256-F360 HydrophobicContact CE2-CG 3.52Å; A270-F360 HydrophobicContact CB-CD2 4.49Å; A270-F360 HydrophobicContact CB-CE2 3.91Å; F307-F360 HydrophobicContact CE2-CE2 4.41Å; F307-F360 HydrophobicContact CE2-CZ 4.33Å; F307-F360 HydrophobicContact CZ-CZ 4.49Å; L346-F360 HydrophobicContact CD1-CE1 4.19Å; L346-F360 HydrophobicContact CD1-CZ 4.14Å; L346-F360 HydrophobicContact CD2-CD1 4.43Å; L346-F360 HydrophobicContact CD2-CE1 3.62Å; L346-F360 HydrophobicContact CD2-CZ 3.67Å; L346-F360 HydrophobicContact CG-CE1 4.48Å; K356-F360 PolarHBondContact O-N 3.48Å; Y357-F360 HydrophobicContact CD2-CD1 4.04Å; Y357-F360 AromaticContact CE2-CD1 3.89Å; Y357-F360 HydrophobicContact CE2-CD1 3.89Å; Y357-F360 HydrophobicContact CE2-CE1 4.06Å; Y357-F360 CarbonylContact O-C 3.56Å; Y357-F360 WeakPolarHBondContact O-CB 3.32Å; Y357-F360 PolarHBondContact O-N 3.13Å; Y357-F360 VanDerWaalsContact O-N 3.16Å; E358-F360 VanDerWaalsContact C-N 3.32Å; E358-F360 PolarHBondContact O-N 2.85Å; F360-S362 VanDerWaalsContact C-N 3.29Å; F360-S362 PolarHBondContact O-N 3.14Å; F360-H363 PolarHBondContact O-N 2.85Å; F360-H363 VanDerWaalsContact O-N 3.1Å; F360-F364 AromaticContact CD2-CD2 3.25Å; F360-F364 HydrophobicContact CD2-CD2 3.25Å; F360-F364 AromaticContact CD2-CE2 3.71Å; F360-F364 HydrophobicContact CD2-CE2 3.71Å; F360-F364 HydrophobicContact CD2-CG 4.15Å; F360-F364 HydrophobicContact CE2-CB 4.1Å; F360-F364 AromaticContact CE2-CD2 3.26Å; F360-F364 HydrophobicContact CE2-CD2 3.26Å; F360-F364 AromaticContact CE2-CE2 3.82Å; F360-F364 HydrophobicContact CE2-CE2 3.82Å; F360-F364 AromaticContact CE2-CG 3.74Å; F360-F364 HydrophobicContact CE2-CG 3.74Å; F360-F364 HydrophobicContact CG-CD2 4.08Å; F360-F364 HydrophobicContact CZ-CB 4.09Å; F360-F364 HydrophobicContact CZ-CD2 4.11Å; F360-F364 HydrophobicContact CZ-CG 4.21Å; F360-F364 VanDerWaalsContact O-CD2 3.29Å; F360-F364 WeakPolarHBondContact O-CD2 3.48Å; F360-F364 PolarHBondContact O-N 3.28Å; F360-F368 AromaticContact CE1-CE2 3.95Å; F360-F368 HydrophobicContact CE1-CE2 3.95Å; F360-F368 AromaticContact CE1-CZ 3.57Å; F360-F368 HydrophobicContact CE1-CZ 3.57Å; F360-F368 AromaticContact CZ-CZ 3.77Å; F360-F368 HydrophobicContact CZ-CZ 3.77Å
361	Y	94	Very high	93	Very high	8 Å²	8	55.1 Å²	55.1	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-40.2	179.9	-178.9	-101.5	0	0	0	111.4	Y357 E358 H363 F364 R365 F368 L387 L388 L389	Y357-Y361 WeakPolarHBondContact O-CB 3.47Å; Y357-Y361 PolarHBondContact O-N 3.1Å; E358-Y361 PolarHBondContact O-N 2.93Å; Y361-H363 PolarHBondContact O-N 3.39Å; Y361-F364 PolarHBondContact O-N 3.43Å; Y361-R365 HydrophobicContact CD1-CB 4.19Å; Y361-R365 HydrophobicContact CD2-CB 4.04Å; Y361-R365 HydrophobicContact CE1-CB 3.9Å; Y361-R365 HydrophobicContact CE2-CB 3.7Å; Y361-R365 HydrophobicContact CG-CB 4.28Å; Y361-R365 WeakPolarHBondContact O-CA 3.44Å; Y361-R365 WeakPolarHBondContact O-CB 3.18Å; Y361-R365 WeakPolarHBondContact O-CG 3.33Å; Y361-R365 PolarHBondContact O-N 3.09Å; Y361-F368 HydrophobicContact CD2-CD2 4.03Å; Y361-F368 HydrophobicContact CD2-CE2 4.1Å; Y361-F368 HydrophobicContact CE2-CD2 4.06Å; Y361-L387 WeakPolarHBondContact CD2-O 3.3Å; Y361-L387 WeakPolarHBondContact CE2-O 3.41Å; Y361-L388 HydrophobicContact CE2-CD2 4.11Å; Y361-L389 HydrophobicContact CD1-CB 3.88Å; Y361-L389 HydrophobicContact CD1-CD1 4.15Å; Y361-L389 HydrophobicContact CD1-CG 4.36Å; Y361-L389 HydrophobicContact CD2-CG 4.46Å; Y361-L389 HydrophobicContact CE1-CB 3.67Å; Y361-L389 WeakPolarHBondContact CE1-O 3.34Å; Y361-L389 HydrophobicContact CE2-CB 4.37Å; Y361-L389 HydrophobicContact CG-CB 4.28Å; Y361-L389 HydrophobicContact CG-CD1 4.06Å; Y361-L389 HydrophobicContact CG-CG 4.31Å; Y361-L389 VanDerWaalsContact CZ-N 3.25Å; Y361-L389 PolarHBondContact OH-N 3.39Å; Y361-L389 VanDerWaalsContact OH-N 3.09Å; Y361-L389 PolarHBondContact OH-O 3.13Å
362	S	91.5	Very high	93.1	Very high	42 Å²	42	47.5 Å²	47.5	29%	0.294	23%	0.229	S	C	.	.	H	α-helix	trans	-58.1	-36.7	177.7	76.1	0	0	0	0	112.1	E358 I359 F360 R365	E358-S362 PolarHBondContact O-N 3.43Å; I359-S362 PolarHBondContact O-OG 3.39Å; F360-S362 VanDerWaalsContact C-N 3.29Å; F360-S362 PolarHBondContact O-N 3.14Å; S362-R365 PolarHBondContact O-NH1 2.72Å
363	H	89.1	Confident	93	Very high	67 Å²	67	43.2 Å²	43.2	31%	0.31	21%	0.214	S	C	.	.	H	α-helix	trans	-81	-39.9	177.1	-59.9	104	0	0	0	112.9	F274 I359 F360 Y361	F274-H363 WeakPolarHBondContact CE2-O 3.26Å; I359-H363 PolarHBondContact O-CE1 3.45Å; I359-H363 PolarHBondContact O-ND1 2.65Å; F360-H363 PolarHBondContact O-N 2.85Å; F360-H363 VanDerWaalsContact O-N 3.1Å; Y361-H363 PolarHBondContact O-N 3.39Å
364	F	90.8	Very high	92.8	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.035	23%	0.226	C	C	.	.	H	α-helix	trans	-103.8	-4.7	-167.9	-65.1	-78.9	0	0	0	115.6	P271 F307 F360 Y361 H366 Y367 F368	P271-F364 HydrophobicContact CG-CZ 4.32Å; P271-F364 VanDerWaalsContact O-CZ 3.25Å; P271-F364 WeakPolarHBondContact O-CZ 3.39Å; F307-F364 HydrophobicContact CB-CD1 3.95Å; F307-F364 HydrophobicContact CB-CE1 3.71Å; F307-F364 HydrophobicContact CD1-CD1 4.09Å; F307-F364 AromaticContact CD2-CD1 3.83Å; F307-F364 HydrophobicContact CD2-CD1 3.83Å; F307-F364 AromaticContact CD2-CE1 3.88Å; F307-F364 HydrophobicContact CD2-CE1 3.88Å; F307-F364 HydrophobicContact CE2-CD1 4.35Å; F307-F364 AromaticContact CG-CD1 3.69Å; F307-F364 HydrophobicContact CG-CD1 3.69Å; F307-F364 AromaticContact CG-CE1 3.85Å; F307-F364 HydrophobicContact CG-CE1 3.85Å; F360-F364 AromaticContact CD2-CD2 3.25Å; F360-F364 HydrophobicContact CD2-CD2 3.25Å; F360-F364 AromaticContact CD2-CE2 3.71Å; F360-F364 HydrophobicContact CD2-CE2 3.71Å; F360-F364 HydrophobicContact CD2-CG 4.15Å; F360-F364 HydrophobicContact CE2-CB 4.1Å; F360-F364 AromaticContact CE2-CD2 3.26Å; F360-F364 HydrophobicContact CE2-CD2 3.26Å; F360-F364 AromaticContact CE2-CE2 3.82Å; F360-F364 HydrophobicContact CE2-CE2 3.82Å; F360-F364 AromaticContact CE2-CG 3.74Å; F360-F364 HydrophobicContact CE2-CG 3.74Å; F360-F364 HydrophobicContact CG-CD2 4.08Å; F360-F364 HydrophobicContact CZ-CB 4.09Å; F360-F364 HydrophobicContact CZ-CD2 4.11Å; F360-F364 HydrophobicContact CZ-CG 4.21Å; F360-F364 VanDerWaalsContact O-CD2 3.29Å; F360-F364 WeakPolarHBondContact O-CD2 3.48Å; F360-F364 PolarHBondContact O-N 3.28Å; Y361-F364 PolarHBondContact O-N 3.43Å; F364-H366 PolarHBondContact O-N 3.44Å; F364-Y367 HydrophobicContact CB-CD2 4.26Å; F364-Y367 AromaticContact CD1-CD2 3.83Å; F364-Y367 HydrophobicContact CD1-CD2 3.83Å; F364-Y367 AromaticContact CD1-CE2 3.79Å; F364-Y367 HydrophobicContact CD1-CE2 3.79Å; F364-Y367 HydrophobicContact CE1-CE2 4.36Å; F364-Y367 WeakPolarHBondContact O-CB 3.35Å; F364-Y367 WeakPolarHBondContact O-CD2 3.31Å; F364-Y367 PolarHBondContact O-N 3.08Å; F364-F368 HydrophobicContact CB-CZ 4.32Å
365	R	92.5	Very high	92.7	Very high	78 Å²	78	44.9 Å²	44.9	29%	0.294	21%	0.208	S	C	.	.	H	α-helix	trans	-49.5	-36.8	-176.8	60.6	-175.8	-164.7	-98.1	4.8	114.8	Y361 S362 Y367 F368 K369 D447	Y361-R365 HydrophobicContact CD1-CB 4.19Å; Y361-R365 HydrophobicContact CD2-CB 4.04Å; Y361-R365 HydrophobicContact CE1-CB 3.9Å; Y361-R365 HydrophobicContact CE2-CB 3.7Å; Y361-R365 HydrophobicContact CG-CB 4.28Å; Y361-R365 WeakPolarHBondContact O-CA 3.44Å; Y361-R365 WeakPolarHBondContact O-CB 3.18Å; Y361-R365 WeakPolarHBondContact O-CG 3.33Å; Y361-R365 PolarHBondContact O-N 3.09Å; S362-R365 PolarHBondContact O-NH1 2.72Å; R365-Y367 VanDerWaalsContact C-N 3.26Å; R365-Y367 PolarHBondContact O-N 3.44Å; R365-F368 PolarHBondContact O-N 3.18Å; R365-F368 VanDerWaalsContact O-N 3.13Å; R365-K369 WeakPolarHBondContact O-CG 3.36Å; R365-K369 PolarHBondContact O-N 2.81Å; R365-K369 VanDerWaalsContact O-N 3.1Å; R365-D447 IonicContact NE-OD2 3.8Å; R365-D447 IonicContact NH2-OD2 3.85Å
366	H	90.7	Very high	92.6	Very high	58 Å²	58	46.5 Å²	46.5	27%	0.269	22%	0.216	S	C	.	.	H	α-helix	trans	-63.6	-32.9	-177.6	-57.6	81.2	0	0	0	112.1	M277 F364 K369 E370 D447	M277-H366 HydrophobicContact CE-CB 4.26Å; F364-H366 PolarHBondContact O-N 3.44Å; H366-K369 PolarHBondContact O-N 3.14Å; H366-E370 WeakPolarHBondContact O-CB 3.41Å; H366-E370 PolarHBondContact O-N 3.4Å; H366-D447 IonicContact CD2-OD2 3.72Å; H366-D447 IonicContact NE2-OD2 3.58Å; H366-D447 PolarHBondContact NE2-OD2 3.01Å
367	Y	92.6	Very high	92.7	Very high	7 Å²	7	45.2 Å²	45.2	3%	0.027	22%	0.216	C	C	.	.	H	α-helix	trans	-65.5	-42.3	174.4	-68.9	-81.1	0	0	0	111.4	F274 M280 W304 R306 F307 F364 R365 K369 E370 G371	F274-Y367 HydrophobicContact CE2-CE2 4.04Å; M280-Y367 PolarHBondContact SD-OH 3.37Å; W304-Y367 WeakPolarHBondContact CB-O 3.35Å; W304-Y367 VanDerWaalsContact O-CB 3.29Å; W304-Y367 WeakPolarHBondContact O-CB 3.46Å; W304-Y367 VanDerWaalsContact O-CD1 3.29Å; W304-Y367 WeakPolarHBondContact O-CD1 3.39Å; R306-Y367 HydrophobicContact CG-CD1 4.32Å; R306-Y367 HydrophobicContact CG-CE1 3.74Å; F307-Y367 HydrophobicContact CB-CE1 4.35Å; F307-Y367 HydrophobicContact CB-CE2 4.23Å; F307-Y367 AromaticContact CD1-CD1 3.81Å; F307-Y367 HydrophobicContact CD1-CD1 3.81Å; F307-Y367 AromaticContact CD1-CD2 3.83Å; F307-Y367 HydrophobicContact CD1-CD2 3.83Å; F307-Y367 HydrophobicContact CD1-CE1 4.19Å; F307-Y367 HydrophobicContact CD1-CE2 4.23Å; F307-Y367 AromaticContact CD1-CG 3.61Å; F307-Y367 HydrophobicContact CD1-CG 3.61Å; F307-Y367 HydrophobicContact CE1-CD2 4.42Å; F307-Y367 HydrophobicContact CE1-CG 4.07Å; F364-Y367 HydrophobicContact CB-CD2 4.26Å; F364-Y367 AromaticContact CD1-CD2 3.83Å; F364-Y367 HydrophobicContact CD1-CD2 3.83Å; F364-Y367 AromaticContact CD1-CE2 3.79Å; F364-Y367 HydrophobicContact CD1-CE2 3.79Å; F364-Y367 HydrophobicContact CE1-CE2 4.36Å; F364-Y367 WeakPolarHBondContact O-CB 3.35Å; F364-Y367 WeakPolarHBondContact O-CD2 3.31Å; F364-Y367 PolarHBondContact O-N 3.08Å; R365-Y367 VanDerWaalsContact C-N 3.26Å; R365-Y367 PolarHBondContact O-N 3.44Å; Y367-K369 VanDerWaalsContact C-N 3.34Å; Y367-K369 PolarHBondContact O-N 3.49Å; Y367-E370 WeakPolarHBondContact O-CB 3.1Å; Y367-E370 PolarHBondContact O-N 3.34Å; Y367-G371 PolarHBondContact O-N 3.31Å
368	F	95.6	Very high	92.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-40	178.4	-52.4	-29.3	0	0	0	111.6	W304 F307 L346 F360 Y361 F364 R365 G371 I372 V384 L387 L388	W304-F368 AromaticContact CE3-CD1 3.86Å; W304-F368 HydrophobicContact CE3-CD1 3.86Å; W304-F368 HydrophobicContact CE3-CE1 4.36Å; W304-F368 AromaticContact CZ3-CD1 3.52Å; W304-F368 HydrophobicContact CZ3-CD1 3.52Å; W304-F368 AromaticContact CZ3-CE1 3.81Å; W304-F368 HydrophobicContact CZ3-CE1 3.81Å; F307-F368 HydrophobicContact CE1-CE1 4.18Å; F307-F368 HydrophobicContact CZ-CE1 4.05Å; L346-F368 HydrophobicContact CD1-CE1 4.28Å; L346-F368 HydrophobicContact CD1-CZ 4.07Å; F360-F368 AromaticContact CE1-CE2 3.95Å; F360-F368 HydrophobicContact CE1-CE2 3.95Å; F360-F368 AromaticContact CE1-CZ 3.57Å; F360-F368 HydrophobicContact CE1-CZ 3.57Å; F360-F368 AromaticContact CZ-CZ 3.77Å; F360-F368 HydrophobicContact CZ-CZ 3.77Å; Y361-F368 HydrophobicContact CD2-CD2 4.03Å; Y361-F368 HydrophobicContact CD2-CE2 4.1Å; Y361-F368 HydrophobicContact CE2-CD2 4.06Å; F364-F368 HydrophobicContact CB-CZ 4.32Å; R365-F368 PolarHBondContact O-N 3.18Å; R365-F368 VanDerWaalsContact O-N 3.13Å; F368-G371 PolarHBondContact O-N 3.1Å; F368-I372 WeakPolarHBondContact O-CG1 3.11Å; F368-I372 PolarHBondContact O-N 3.11Å; F368-V384 HydrophobicContact CB-CG1 4.09Å; F368-V384 WeakPolarHBondContact O-CG1 3.34Å; F368-L387 HydrophobicContact CD1-CD1 4Å; F368-L387 HydrophobicContact CD2-CB 3.96Å; F368-L387 HydrophobicContact CE1-CD1 3.94Å; F368-L387 HydrophobicContact CE2-CB 4.2Å; F368-L387 HydrophobicContact CG-CB 4.23Å; F368-L387 HydrophobicContact CG-CD1 4.35Å; F368-L387 HydrophobicContact CZ-CD1 4.22Å; F368-L388 HydrophobicContact CB-CD2 3.85Å
369	K	94	Very high	92.7	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-47.2	172.4	-64.2	179.1	-161.5	-172.7	0	111.7	R365 H366 Y367 G371 I372 I373 L388 D447 A449 D450 T453	R365-K369 WeakPolarHBondContact O-CG 3.36Å; R365-K369 PolarHBondContact O-N 2.81Å; R365-K369 VanDerWaalsContact O-N 3.1Å; H366-K369 PolarHBondContact O-N 3.14Å; Y367-K369 VanDerWaalsContact C-N 3.34Å; Y367-K369 PolarHBondContact O-N 3.49Å; K369-G371 VanDerWaalsContact C-N 3.29Å; K369-G371 PolarHBondContact O-N 3.14Å; K369-I372 PolarHBondContact O-N 3.23Å; K369-I373 WeakPolarHBondContact O-CG1 3.4Å; K369-I373 PolarHBondContact O-N 3.38Å; K369-L388 HydrophobicContact CG-CD2 4.46Å; K369-D447 IonicContact NZ-OD1 2.99Å; K369-D447 IonicContact NZ-OD2 2.79Å; K369-D447 PolarHBondContact NZ-OD2 2.99Å; K369-A449 HydrophobicContact CD-CB 4.03Å; K369-D450 WeakPolarHBondContact CE-OD1 3.42Å; K369-D450 IonicContact NZ-OD1 3.41Å; K369-D450 PolarHBondContact NZ-OD1 3.28Å; K369-D450 IonicContact NZ-OD2 2.85Å; K369-T453 HydrophobicContact CB-CG2 4.26Å; K369-T453 WeakPolarHBondContact CB-OG1 3.22Å; K369-T453 HydrophobicContact CG-CG2 4.17Å
370	E	91.8	Very high	92.8	Very high	33 Å²	33	52 Å²	52	15%	0.154	25%	0.246	C	C	.	.	H	α-helix	trans	-56.9	-43.8	173.1	-175.9	-165.4	140.9	0	0	111.3	S303 R306 H366 Y367 I372 I373 R374	S303-E370 PolarHBondContact OG-OE1 3.47Å; R306-E370 IonicContact CZ-OE2 2.74Å; R306-E370 VanDerWaalsContact CZ-OE2 3.23Å; R306-E370 VanDerWaalsContact NH1-CD 3.28Å; R306-E370 IonicContact NH1-OE1 2.83Å; R306-E370 PolarHBondContact NH1-OE1 2.94Å; R306-E370 VanDerWaalsContact NH1-OE1 3.1Å; R306-E370 IonicContact NH1-OE2 3.44Å; R306-E370 PolarHBondContact NH1-OE2 3.02Å; R306-E370 IonicContact NH2-OE2 3.68Å; R306-E370 PolarHBondContact NH2-OE2 2.85Å; H366-E370 WeakPolarHBondContact O-CB 3.41Å; H366-E370 PolarHBondContact O-N 3.4Å; Y367-E370 WeakPolarHBondContact O-CB 3.1Å; Y367-E370 PolarHBondContact O-N 3.34Å; E370-I372 VanDerWaalsContact C-N 3.34Å; E370-I372 PolarHBondContact O-N 2.83Å; E370-I373 PolarHBondContact O-N 2.74Å; E370-R374 HydrophobicContact CG-CG 4.24Å; E370-R374 WeakPolarHBondContact O-CB 3.26Å; E370-R374 WeakPolarHBondContact O-CG 3.4Å; E370-R374 PolarHBondContact O-N 3.16Å; E370-R374 IonicContact OE1-CZ 3.13Å; E370-R374 IonicContact OE1-NE 2.8Å; E370-R374 IonicContact OE1-NH1 3.42Å
371	G	94	Very high	93	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-58.6	-42.2	178.4	0	0	0	0	0	113.1	W304 Y367 F368 K369 A375	W304-G371 VanDerWaalsContact CD1-CA 3.45Å; W304-G371 VanDerWaalsContact CG-CA 3.41Å; Y367-G371 PolarHBondContact O-N 3.31Å; F368-G371 PolarHBondContact O-N 3.1Å; K369-G371 VanDerWaalsContact C-N 3.29Å; K369-G371 PolarHBondContact O-N 3.14Å; G371-A375 VanDerWaalsContact O-CB 3.25Å; G371-A375 WeakPolarHBondContact O-CB 3.4Å; G371-A375 PolarHBondContact O-N 3.48Å
372	I	96.2	Very high	93.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.5	-40.4	176.8	-66.5	162.7	0	0	0	111.4	F368 K369 E370 R374 K381 V384 A385 L388 T453 L457	F368-I372 WeakPolarHBondContact O-CG1 3.11Å; F368-I372 PolarHBondContact O-N 3.11Å; K369-I372 PolarHBondContact O-N 3.23Å; E370-I372 VanDerWaalsContact C-N 3.34Å; E370-I372 PolarHBondContact O-N 2.83Å; I372-R374 VanDerWaalsContact C-N 3.34Å; I372-K381 HydrophobicContact CG2-CB 4.41Å; I372-K381 HydrophobicContact CG2-CG 4.39Å; I372-K381 WeakPolarHBondContact O-CE 3.3Å; I372-V384 HydrophobicContact CD1-CG1 4.31Å; I372-V384 HydrophobicContact CG1-CB 3.85Å; I372-V384 HydrophobicContact CG1-CG1 3.8Å; I372-A385 HydrophobicContact CD1-CB 4.03Å; I372-L388 HydrophobicContact CD1-CD1 3.46Å; I372-L388 VanDerWaalsContact CD1-CD1 3.46Å; I372-L388 HydrophobicContact CD1-CD2 4.29Å; I372-L388 HydrophobicContact CD1-CG 3.97Å; I372-T453 HydrophobicContact CB-CG2 4.03Å; I372-T453 HydrophobicContact CD1-CG2 3.7Å; I372-T453 HydrophobicContact CG1-CG2 4.49Å; I372-T453 HydrophobicContact CG2-CG2 3.93Å; I372-L457 HydrophobicContact CG2-CB 3.97Å; I372-L457 HydrophobicContact CG2-CD1 4.36Å
373	I	91	Very high	93.4	Very high	76 Å²	76	54.8 Å²	54.8	39%	0.39	26%	0.256	S	S	.	.	H	α-helix	trans	-67.2	-37.8	179.5	-67.3	167.6	0	0	0	111.1	K369 E370 V452	K369-I373 WeakPolarHBondContact O-CG1 3.4Å; K369-I373 PolarHBondContact O-N 3.38Å; E370-I373 PolarHBondContact O-N 2.74Å; I373-V452 HydrophobicContact CD1-CG1 4Å; I373-V452 HydrophobicContact CG1-CG1 4.48Å
374	R	90.6	Very high	93.8	Very high	164 Å²	164	51.9 Å²	51.9	62%	0.619	24%	0.243	S	C	*	.	H	α-helix	trans	-89.3	-12.3	-177.3	-67.4	-172.9	174.9	-149.8	-3.9	115	S303 E370 I372	S303-R374 PolarHBondContact OG-NH1 3.04Å; E370-R374 HydrophobicContact CG-CG 4.24Å; E370-R374 WeakPolarHBondContact O-CB 3.26Å; E370-R374 WeakPolarHBondContact O-CG 3.4Å; E370-R374 PolarHBondContact O-N 3.16Å; E370-R374 IonicContact OE1-CZ 3.13Å; E370-R374 IonicContact OE1-NE 2.8Å; E370-R374 IonicContact OE1-NH1 3.42Å; I372-R374 VanDerWaalsContact C-N 3.34Å
375	A	92.6	Very high	94.1	Very high	16 Å²	16	51.5 Å²	51.5	13%	0.132	24%	0.241	C	C	.	.			trans	-62.7	138.3	-179.5	0	0	0	0	0	111.8	G371 E380 K381	G371-A375 VanDerWaalsContact O-CB 3.25Å; G371-A375 WeakPolarHBondContact O-CB 3.4Å; G371-A375 PolarHBondContact O-N 3.48Å; A375-E380 HydrophobicContact CB-CB 3.81Å; A375-K381 HydrophobicContact CB-CG 3.54Å; A375-K381 WeakPolarHBondContact O-CE 3.37Å
376	E	90.7	Very high	94.3	Very high	190 Å²	190	50.9 Å²	50.9	89%	0.888	24%	0.241	S	C	*	.	S	Bend	trans	-85.6	-27	-174.2	-65.3	-178.9	-178.5	0	0	112.1	E380	E376-E380 PolarHBondContact N-OE2 2.89Å
377	S	94.6	Very high	94.6	Very high	47 Å²	47	48.1 Å²	48.1	33%	0.329	23%	0.228	S	C	.	.	S	Bend	trans	-120.2	155.2	-177.9	73.9	0	0	0	0	112.6	E379 E380 K381	S377-E379 VanDerWaalsContact C-N 3.27Å; S377-E379 PolarHBondContact O-N 3.06Å; S377-E380 PolarHBondContact O-N 3.36Å; S377-E380 WeakPolarHBondContact OG-CG 3.47Å; S377-E380 PolarHBondContact OG-N 3.33Å; S377-K381 WeakPolarHBondContact O-CG 3.41Å; S377-K381 PolarHBondContact O-N 3.3Å
378	Q	95.6	Very high	94.8	Very high	53 Å²	53	47.9 Å²	47.9	25%	0.248	23%	0.227	C	C	.	.	H	α-helix	trans	-62.4	-35.6	175.5	-172.9	58.6	31.9	0	0	112.1	K381 E382 L457 Q459	Q378-K381 WeakPolarHBondContact O-CB 3.36Å; Q378-K381 PolarHBondContact O-N 2.98Å; Q378-E382 WeakPolarHBondContact CG-OE1 3.34Å; Q378-E382 PolarHBondContact NE2-OE1 2.68Å; Q378-E382 VanDerWaalsContact NE2-OE1 3.16Å; Q378-E382 WeakPolarHBondContact O-CG 3.21Å; Q378-E382 PolarHBondContact O-N 2.75Å; Q378-L457 PolarHBondContact NE2-O 3.4Å; Q378-L457 PolarHBondContact OE1-O 3.4Å; Q378-Q459 HydrophobicContact CG-CG 4.15Å; Q378-Q459 PolarHBondContact NE2-O 3.29Å
379	E	95.1	Very high	94.9	Very high	142 Å²	142	48.7 Å²	48.7	66%	0.664	23%	0.231	S	C	*	.	H	α-helix	trans	-63.6	-44.3	178	-175.7	-177.3	168.4	0	0	111.9	S377 E382 N383	S377-E379 VanDerWaalsContact C-N 3.27Å; S377-E379 PolarHBondContact O-N 3.06Å; E379-E382 PolarHBondContact O-N 2.82Å; E379-N383 WeakPolarHBondContact O-CB 3.45Å; E379-N383 VanDerWaalsContact O-CG 3.24Å; E379-N383 PolarHBondContact O-N 2.92Å; E379-N383 PolarHBondContact O-ND2 2.99Å
380	E	94.3	Very high	94.9	Very high	97 Å²	97	48.7 Å²	48.7	45%	0.453	23%	0.231	S	C	.	.	H	α-helix	trans	-62	-44.2	175.5	-76.1	-179.7	173	0	0	111.7	A375 E376 S377 E382 N383 V384	A375-E380 HydrophobicContact CB-CB 3.81Å; E376-E380 PolarHBondContact N-OE2 2.89Å; S377-E380 PolarHBondContact O-N 3.36Å; S377-E380 WeakPolarHBondContact OG-CG 3.47Å; S377-E380 PolarHBondContact OG-N 3.33Å; E380-E382 PolarHBondContact O-N 3.47Å; E380-N383 PolarHBondContact O-N 2.69Å; E380-V384 WeakPolarHBondContact O-CG2 3.25Å; E380-V384 PolarHBondContact O-N 3.03Å
381	K	96.7	Very high	95.1	Very high	27 Å²	27	48.3 Å²	48.3	12%	0.117	23%	0.229	C	C	.	.	H	α-helix	trans	-56.5	-51.2	175.9	-69.6	179.2	178.2	-167.6	0	111.3	I372 A375 S377 Q378 N383 V384 A385 S456 L457	I372-K381 HydrophobicContact CG2-CB 4.41Å; I372-K381 HydrophobicContact CG2-CG 4.39Å; I372-K381 WeakPolarHBondContact O-CE 3.3Å; A375-K381 HydrophobicContact CB-CG 3.54Å; A375-K381 WeakPolarHBondContact O-CE 3.37Å; S377-K381 WeakPolarHBondContact O-CG 3.41Å; S377-K381 PolarHBondContact O-N 3.3Å; Q378-K381 WeakPolarHBondContact O-CB 3.36Å; Q378-K381 PolarHBondContact O-N 2.98Å; K381-N383 VanDerWaalsContact C-N 3.32Å; K381-N383 PolarHBondContact O-N 2.91Å; K381-V384 PolarHBondContact O-N 3.1Å; K381-A385 VanDerWaalsContact O-CB 3.23Å; K381-A385 WeakPolarHBondContact O-CB 3.36Å; K381-A385 PolarHBondContact O-N 3.49Å; K381-S456 WeakPolarHBondContact CD-O 3.38Å; K381-S456 PolarHBondContact NZ-O 2.97Å; K381-S456 PolarHBondContact NZ-OG 3.2Å; K381-L457 HydrophobicContact CB-CD1 3.77Å
382	E	97.4	Very high	95.1	Very high	33 Å²	33	48.2 Å²	48.2	15%	0.154	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-35	180	-70.9	-174.2	-145	0	0	112.2	Q378 E379 E380 A385 K386 L457 Q459 F460 D461	Q378-E382 WeakPolarHBondContact CG-OE1 3.34Å; Q378-E382 PolarHBondContact NE2-OE1 2.68Å; Q378-E382 VanDerWaalsContact NE2-OE1 3.16Å; Q378-E382 WeakPolarHBondContact O-CG 3.21Å; Q378-E382 PolarHBondContact O-N 2.75Å; E379-E382 PolarHBondContact O-N 2.82Å; E380-E382 PolarHBondContact O-N 3.47Å; E382-A385 PolarHBondContact O-N 2.88Å; E382-K386 WeakPolarHBondContact O-CG 3.33Å; E382-K386 PolarHBondContact O-N 3.29Å; E382-L457 HydrophobicContact CG-CD1 4.26Å; E382-Q459 PolarHBondContact OE1-NE2 2.83Å; E382-Q459 VanDerWaalsContact OE1-NE2 3.15Å; E382-F460 HydrophobicContact CB-CD2 4.39Å; E382-F460 HydrophobicContact CG-CD2 4.32Å; E382-D461 PolarHBondContact OE2-N 2.94Å
383	N	96	Very high	94.9	Very high	48 Å²	48	49.3 Å²	49.3	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-64.8	-42.7	175.5	-77.7	-30.2	0	0	0	112.6	I343 E379 E380 K381 K386	I343-N383 HydrophobicContact CD1-CB 4.17Å; I343-N383 WeakPolarHBondContact CG2-O 3.4Å; E379-N383 WeakPolarHBondContact O-CB 3.45Å; E379-N383 VanDerWaalsContact O-CG 3.24Å; E379-N383 PolarHBondContact O-N 2.92Å; E379-N383 PolarHBondContact O-ND2 2.99Å; E380-N383 PolarHBondContact O-N 2.69Å; K381-N383 VanDerWaalsContact C-N 3.32Å; K381-N383 PolarHBondContact O-N 2.91Å; N383-K386 PolarHBondContact OD1-NZ 2.63Å
384	V	96.9	Very high	94.9	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.03	24%	0.239	C	C	.	.	H	α-helix	trans	-71.5	-37	174.9	-176.9	0	0	0	0	111	W304 I343 F368 I372 E380 K381 K386 L387	W304-V384 HydrophobicContact CH2-CG1 4.26Å; W304-V384 HydrophobicContact CH2-CG2 4.02Å; W304-V384 HydrophobicContact CZ2-CG1 4.42Å; W304-V384 HydrophobicContact CZ2-CG2 3.53Å; W304-V384 HydrophobicContact CZ3-CG1 4.33Å; I343-V384 HydrophobicContact CD1-CG2 4.22Å; F368-V384 HydrophobicContact CB-CG1 4.09Å; F368-V384 WeakPolarHBondContact O-CG1 3.34Å; I372-V384 HydrophobicContact CD1-CG1 4.31Å; I372-V384 HydrophobicContact CG1-CB 3.85Å; I372-V384 HydrophobicContact CG1-CG1 3.8Å; E380-V384 WeakPolarHBondContact O-CG2 3.25Å; E380-V384 PolarHBondContact O-N 3.03Å; K381-V384 PolarHBondContact O-N 3.1Å; V384-K386 PolarHBondContact O-N 3.24Å; V384-K386 VanDerWaalsContact O-N 3.15Å; V384-L387 VanDerWaalsContact O-CB 3.32Å; V384-L387 WeakPolarHBondContact O-CB 3.14Å; V384-L387 PolarHBondContact O-N 3.19Å
385	A	97.5	Very high	95	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-25.1	179.9	0	0	0	0	0	113.7	I372 K381 E382 L387 L388 L403 L457 F460	I372-A385 HydrophobicContact CD1-CB 4.03Å; K381-A385 VanDerWaalsContact O-CB 3.23Å; K381-A385 WeakPolarHBondContact O-CB 3.36Å; K381-A385 PolarHBondContact O-N 3.49Å; E382-A385 PolarHBondContact O-N 2.88Å; A385-L387 PolarHBondContact O-N 2.97Å; A385-L387 VanDerWaalsContact O-N 3.12Å; A385-L388 WeakPolarHBondContact O-CB 3.26Å; A385-L388 PolarHBondContact O-N 2.89Å; A385-L403 HydrophobicContact CB-CD1 3.88Å; A385-L457 HydrophobicContact CB-CD1 3.75Å; A385-L457 HydrophobicContact CB-CD2 3.63Å; A385-L457 HydrophobicContact CB-CG 4.37Å; A385-F460 HydrophobicContact CB-CD2 3.96Å; A385-F460 HydrophobicContact CB-CE2 4.08Å
386	K	97	Very high	95	Very high	66 Å²	66	53.5 Å²	53.5	29%	0.287	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.3	172.2	-70.1	163.2	-170.4	169.9	0	114.1	Q347 E382 N383 V384 F460	Q347-K386 HydrophobicContact CG-CB 4.29Å; E382-K386 WeakPolarHBondContact O-CG 3.33Å; E382-K386 PolarHBondContact O-N 3.29Å; N383-K386 PolarHBondContact OD1-NZ 2.63Å; V384-K386 PolarHBondContact O-N 3.24Å; V384-K386 VanDerWaalsContact O-N 3.15Å; K386-F460 HydrophobicContact CG-CE2 3.95Å; K386-F460 HydrophobicContact CG-CZ 4Å
387	L	97.1	Very high	95	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-9.1	177.6	-57.3	-178.8	0	0	0	113.1	W304 I343 L346 Q347 Y357 Y361 F368 V384 A385	W304-L387 HydrophobicContact CH2-CD1 4.35Å; W304-L387 HydrophobicContact CZ3-CD1 4.39Å; I343-L387 HydrophobicContact CG1-CD1 4.21Å; I343-L387 HydrophobicContact CG2-CD2 4.34Å; I343-L387 HydrophobicContact CG2-CG 4.48Å; L346-L387 HydrophobicContact CB-CD2 3.6Å; L346-L387 HydrophobicContact CD1-CD1 3.94Å; L346-L387 HydrophobicContact CD1-CD2 4.45Å; Q347-L387 HydrophobicContact CG-CD2 3.78Å; Y357-L387 WeakPolarHBondContact OH-CA 3.28Å; Y357-L387 WeakPolarHBondContact OH-CB 3.4Å; Y357-L387 PolarHBondContact OH-O 3Å; Y361-L387 WeakPolarHBondContact CD2-O 3.3Å; Y361-L387 WeakPolarHBondContact CE2-O 3.41Å; F368-L387 HydrophobicContact CD1-CD1 4Å; F368-L387 HydrophobicContact CD2-CB 3.96Å; F368-L387 HydrophobicContact CE1-CD1 3.94Å; F368-L387 HydrophobicContact CE2-CB 4.2Å; F368-L387 HydrophobicContact CG-CB 4.23Å; F368-L387 HydrophobicContact CG-CD1 4.35Å; F368-L387 HydrophobicContact CZ-CD1 4.22Å; V384-L387 VanDerWaalsContact O-CB 3.32Å; V384-L387 WeakPolarHBondContact O-CB 3.14Å; V384-L387 PolarHBondContact O-N 3.19Å; A385-L387 PolarHBondContact O-N 2.97Å; A385-L387 VanDerWaalsContact O-N 3.12Å
388	L	96.9	Very high	94.8	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.244	C	C	.	.			trans	-78.5	143.5	-177.9	-61.8	-174.8	0	0	0	112.1	Y361 F368 K369 I372 A385 F390 T453	Y361-L388 HydrophobicContact CE2-CD2 4.11Å; F368-L388 HydrophobicContact CB-CD2 3.85Å; K369-L388 HydrophobicContact CG-CD2 4.46Å; I372-L388 HydrophobicContact CD1-CD1 3.46Å; I372-L388 VanDerWaalsContact CD1-CD1 3.46Å; I372-L388 HydrophobicContact CD1-CD2 4.29Å; I372-L388 HydrophobicContact CD1-CG 3.97Å; A385-L388 WeakPolarHBondContact O-CB 3.26Å; A385-L388 PolarHBondContact O-N 2.89Å; L388-F390 HydrophobicContact CB-CE2 3.57Å; L388-F390 HydrophobicContact CB-CZ 3.85Å; L388-F390 HydrophobicContact CD1-CE2 4.2Å; L388-F390 HydrophobicContact CD1-CZ 3.77Å; L388-F390 HydrophobicContact CG-CZ 4.45Å; L388-T453 HydrophobicContact CD1-CG2 4.21Å
389	L	96.2	Very high	94.6	Very high	18 Å²	18	49.5 Å²	49.5	9%	0.094	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.6	175.5	-67.9	-178.1	0	0	0	110.7	M350 Y357 Y361 K400 I401	M350-L389 HydrophobicContact SD-CD2 3.87Å; Y357-L389 HydrophobicContact CD1-CD1 3.78Å; Y357-L389 HydrophobicContact CD1-CG 4.5Å; Y357-L389 HydrophobicContact CE1-CD1 3.78Å; Y357-L389 HydrophobicContact CE1-CG 4.06Å; Y361-L389 HydrophobicContact CD1-CB 3.88Å; Y361-L389 HydrophobicContact CD1-CD1 4.15Å; Y361-L389 HydrophobicContact CD1-CG 4.36Å; Y361-L389 HydrophobicContact CD2-CG 4.46Å; Y361-L389 HydrophobicContact CE1-CB 3.67Å; Y361-L389 WeakPolarHBondContact CE1-O 3.34Å; Y361-L389 HydrophobicContact CE2-CB 4.37Å; Y361-L389 HydrophobicContact CG-CB 4.28Å; Y361-L389 HydrophobicContact CG-CD1 4.06Å; Y361-L389 HydrophobicContact CG-CG 4.31Å; Y361-L389 VanDerWaalsContact CZ-N 3.25Å; Y361-L389 PolarHBondContact OH-N 3.39Å; Y361-L389 VanDerWaalsContact OH-N 3.09Å; Y361-L389 PolarHBondContact OH-O 3.13Å; L389-K400 HydrophobicContact CB-CB 4.1Å; L389-K400 HydrophobicContact CB-CD 4.14Å; L389-K400 HydrophobicContact CD1-CB 4.41Å; L389-K400 HydrophobicContact CD1-CD 4.46Å; L389-I401 CarbonylContact C-O 3.44Å; L389-I401 WeakPolarHBondContact CA-O 3.46Å
390	F	95.2	Very high	94.6	Very high	6 Å²	6	46 Å²	46	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.4	-178.1	-57.9	-81.6	0	0	0	110.4	L388 K400 I401 L403 L443 L454	L388-F390 HydrophobicContact CB-CE2 3.57Å; L388-F390 HydrophobicContact CB-CZ 3.85Å; L388-F390 HydrophobicContact CD1-CE2 4.2Å; L388-F390 HydrophobicContact CD1-CZ 3.77Å; L388-F390 HydrophobicContact CG-CZ 4.45Å; F390-K400 CarbonylContact O-C 3.59Å; F390-K400 WeakPolarHBondContact O-CA 3.36Å; F390-I401 PolarHBondContact N-O 2.76Å; F390-I401 WeakPolarHBondContact O-CG1 3.46Å; F390-I401 PolarHBondContact O-N 2.75Å; F390-L403 HydrophobicContact CD2-CD2 4.42Å; F390-L403 HydrophobicContact CD2-CG 4.46Å; F390-L403 HydrophobicContact CE2-CD1 4.41Å; F390-L403 HydrophobicContact CE2-CD2 4.03Å; F390-L403 HydrophobicContact CE2-CG 3.93Å; F390-L443 HydrophobicContact CB-CB 4.35Å; F390-L443 HydrophobicContact CB-CD2 4.08Å; F390-L443 HydrophobicContact CD2-CD1 4.26Å; F390-L443 HydrophobicContact CG-CD1 4.48Å; F390-L454 HydrophobicContact CE1-CD2 4.31Å; F390-L454 HydrophobicContact CZ-CD2 3.85Å
391	E	94.7	Very high	94.6	Very high	24 Å²	24	41.8 Å²	41.8	11%	0.112	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	163.4	161.1	-68.5	-170.8	-162.3	0	0	110.4	G398 K400 R423 L443 F444 F446	E391-G398 VanDerWaalsContact CD-N 3.28Å; E391-G398 VanDerWaalsContact OE1-CA 3.28Å; E391-G398 WeakPolarHBondContact OE1-CA 3.31Å; E391-G398 PolarHBondContact OE1-N 2.85Å; E391-G398 PolarHBondContact OE2-N 3.07Å; E391-K400 HydrophobicContact CG-CG 4.39Å; E391-R423 IonicContact OE2-CZ 3.99Å; E391-R423 IonicContact OE2-NE 2.73Å; E391-R423 PolarHBondContact OE2-NE 2.87Å; E391-R423 IonicContact OE2-NH2 3.14Å; E391-R423 PolarHBondContact OE2-NH2 2.63Å; E391-L443 CarbonylContact O-C 3.55Å; E391-L443 WeakPolarHBondContact O-CA 3.45Å; E391-F444 HydrophobicContact CB-CB 4.22Å; E391-F444 HydrophobicContact CB-CD2 4.2Å; E391-F444 PolarHBondContact O-N 3.21Å; E391-F446 HydrophobicContact CB-CE2 3.85Å; E391-F446 HydrophobicContact CB-CZ 4.25Å; E391-F446 HydrophobicContact CG-CE2 3.68Å; E391-F446 HydrophobicContact CG-CZ 4.06Å
392	S	94.3	Very high	94.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	146.8	-178.7	160.4	0	0	0	0	112.9	N394 Q395 R423 E441 I442	S392-N394 PolarHBondContact O-N 3.44Å; S392-N394 VanDerWaalsContact O-N 3.14Å; S392-N394 PolarHBondContact OG-N 3.36Å; S392-Q395 PolarHBondContact O-N 2.81Å; S392-R423 PolarHBondContact O-NH2 3.35Å; S392-E441 WeakPolarHBondContact CB-OE1 3.11Å; S392-E441 WeakPolarHBondContact OG-CG 3.47Å; S392-E441 PolarHBondContact OG-OE1 3.35Å; S392-I442 CarbonylContact C-O 3.56Å; S392-I442 VanDerWaalsContact CA-O 3.28Å; S392-I442 WeakPolarHBondContact CA-O 3.28Å
393	S	93.2	Very high	94.5	Very high	22 Å²	22	39.1 Å²	39.1	15%	0.154	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-27.5	175.7	60.2	0	0	0	0	114.1	Q395 Y432 I442	S393-Q395 VanDerWaalsContact C-N 3.32Å; S393-Y432 WeakPolarHBondContact CB-OH 3.49Å; S393-I442 PolarHBondContact N-O 3.49Å; S393-I442 PolarHBondContact OG-N 3.2Å
394	N	91.4	Very high	94.5	Very high	86 Å²	86	42.3 Å²	42.3	46%	0.46	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-2	179.1	-75	-10	0	0	0	113.8	S392 E441	S392-N394 PolarHBondContact O-N 3.44Å; S392-N394 VanDerWaalsContact O-N 3.14Å; S392-N394 PolarHBondContact OG-N 3.36Å; N394-E441 HydrophobicContact CB-CG 4.03Å; N394-E441 WeakPolarHBondContact ND2-CB 3.12Å; N394-E441 WeakPolarHBondContact ND2-CG 3.29Å; N394-E441 PolarHBondContact ND2-OE2 3.34Å
395	Q	92.5	Very high	94.4	Very high	62 Å²	62	45 Å²	45	29%	0.29	22%	0.223	S	C	.	.	S	Bend	trans	-117.3	157.6	-179.7	-63.7	-62.1	-27.1	0	0	110.9	S392 S393 I399 I401 R423	S392-Q395 PolarHBondContact O-N 2.81Å; S393-Q395 VanDerWaalsContact C-N 3.32Å; Q395-I399 HydrophobicContact CB-CB 4.16Å; Q395-I399 HydrophobicContact CB-CG2 4.26Å; Q395-I399 HydrophobicContact CG-CG2 4.41Å; Q395-I401 HydrophobicContact CG-CG2 3.87Å; Q395-R423 PolarHBondContact O-NH2 3.1Å
396	R	91.4	Very high	94.4	Very high	197 Å²	197	45 Å²	45	74%	0.743	22%	0.223	S	C	*	.			trans	-65.1	150.4	173.8	-55.4	-177.2	-150.2	170.1	7.8	109.9	G398 I399	R396-G398 PolarHBondContact O-N 3.04Å; R396-I399 HydrophobicContact CB-CD1 3.88Å; R396-I399 HydrophobicContact CB-CG1 4.33Å; R396-I399 HydrophobicContact CG-CD1 4.28Å; R396-I399 WeakPolarHBondContact O-CB 3.27Å; R396-I399 PolarHBondContact O-N 2.88Å; R396-I399 VanDerWaalsContact O-N 3.12Å
397	P	91.2	Very high	94.3	Very high	96 Å²	96	42.8 Å²	42.8	62%	0.623	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	138.8	173.4	-25.4	33.6	0	0	0	112	I399	P397-I399 VanDerWaalsContact C-N 3.3Å; P397-I399 PolarHBondContact O-N 3.01Å
398	G	89.9	Confident	94.2	Very high	39 Å²	39	47.6 Å²	47.6	40%	0.402	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-19.5	-176.7	0	0	0	0	0	115.6	E391 R396 K400	E391-G398 VanDerWaalsContact CD-N 3.28Å; E391-G398 VanDerWaalsContact OE1-CA 3.28Å; E391-G398 WeakPolarHBondContact OE1-CA 3.31Å; E391-G398 PolarHBondContact OE1-N 2.85Å; E391-G398 PolarHBondContact OE2-N 3.07Å; R396-G398 PolarHBondContact O-N 3.04Å; G398-K400 PolarHBondContact O-N 3.45Å
399	I	92.7	Very high	94	Very high	71 Å²	71	52 Å²	52	36%	0.364	26%	0.258	S	S	.	.			trans	-80.9	119.5	177.1	-58.8	-179.1	0	0	0	109.6	Q395 R396 P397	Q395-I399 HydrophobicContact CB-CB 4.16Å; Q395-I399 HydrophobicContact CB-CG2 4.26Å; Q395-I399 HydrophobicContact CG-CG2 4.41Å; R396-I399 HydrophobicContact CB-CD1 3.88Å; R396-I399 HydrophobicContact CB-CG1 4.33Å; R396-I399 HydrophobicContact CG-CD1 4.28Å; R396-I399 WeakPolarHBondContact O-CB 3.27Å; R396-I399 PolarHBondContact O-N 2.88Å; R396-I399 VanDerWaalsContact O-N 3.12Å; P397-I399 VanDerWaalsContact C-N 3.3Å; P397-I399 PolarHBondContact O-N 3.01Å
400	K	93.8	Very high	94	Very high	69 Å²	69	52.6 Å²	52.6	30%	0.3	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	148.1	178	-64.8	-178.2	-176.3	124.9	0	112.7	E358 L389 F390 E391 G398	E358-K400 HydrophobicContact CG-CD 4.13Å; E358-K400 WeakPolarHBondContact OE1-CE 3.32Å; E358-K400 IonicContact OE1-NZ 2.59Å; E358-K400 PolarHBondContact OE1-NZ 3.28Å; L389-K400 HydrophobicContact CB-CB 4.1Å; L389-K400 HydrophobicContact CB-CD 4.14Å; L389-K400 HydrophobicContact CD1-CB 4.41Å; L389-K400 HydrophobicContact CD1-CD 4.46Å; F390-K400 CarbonylContact O-C 3.59Å; F390-K400 WeakPolarHBondContact O-CA 3.36Å; E391-K400 HydrophobicContact CG-CG 4.39Å; G398-K400 PolarHBondContact O-N 3.45Å
401	I	95	Very high	93.8	Very high	8 Å²	8	56 Å²	56	4%	0.041	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.4	178.5	63.1	160.8	0	0	0	110.3	L389 F390 Q395 D405 E441 L443	L389-I401 CarbonylContact C-O 3.44Å; L389-I401 WeakPolarHBondContact CA-O 3.46Å; F390-I401 PolarHBondContact N-O 2.76Å; F390-I401 WeakPolarHBondContact O-CG1 3.46Å; F390-I401 PolarHBondContact O-N 2.75Å; Q395-I401 HydrophobicContact CG-CG2 3.87Å; I401-D405 HydrophobicContact CB-CB 4.12Å; I401-E441 VanDerWaalsContact CD1-OE1 3.23Å; I401-E441 WeakPolarHBondContact CD1-OE1 3.28Å; I401-L443 HydrophobicContact CD1-CD2 3.71Å; I401-L443 HydrophobicContact CG1-CD2 4.2Å
402	S	95.8	Very high	93.6	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.021	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	166.2	171.4	71.9	0	0	0	0	112.2	R404 D405 Y406	S402-R404 PolarHBondContact O-N 2.92Å; S402-R404 PolarHBondContact OG-N 2.73Å; S402-D405 WeakPolarHBondContact CB-OD2 3.42Å; S402-D405 PolarHBondContact N-OD2 3.24Å; S402-D405 PolarHBondContact O-N 3.39Å; S402-D405 PolarHBondContact OG-N 3.07Å; S402-D405 VanDerWaalsContact OG-N 3.16Å; S402-D405 PolarHBondContact OG-OD2 2.75Å; S402-Y406 PolarHBondContact O-N 3.03Å; S402-Y406 VanDerWaalsContact O-N 3.15Å
403	L	96.6	Very high	93.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60.1	-30.3	169.8	-72.4	170.7	0	0	0	112.3	A385 F390 Y406 C407 I417 L443 L457 F460 L465	A385-L403 HydrophobicContact CB-CD1 3.88Å; F390-L403 HydrophobicContact CD2-CD2 4.42Å; F390-L403 HydrophobicContact CD2-CG 4.46Å; F390-L403 HydrophobicContact CE2-CD1 4.41Å; F390-L403 HydrophobicContact CE2-CD2 4.03Å; F390-L403 HydrophobicContact CE2-CG 3.93Å; L403-Y406 PolarHBondContact O-N 3.16Å; L403-C407 PolarHBondContact O-N 3.47Å; L403-C407 PolarHBondContact O-SG 3.46Å; L403-I417 HydrophobicContact CD2-CG2 4.45Å; L403-L443 HydrophobicContact CD2-CD1 3.6Å; L403-L457 HydrophobicContact CD1-CD2 3.9Å; L403-F460 HydrophobicContact CB-CD1 3.83Å; L403-F460 HydrophobicContact CB-CD2 4.28Å; L403-F460 HydrophobicContact CB-CE1 3.63Å; L403-F460 HydrophobicContact CB-CE2 4.1Å; L403-F460 HydrophobicContact CB-CG 4.15Å; L403-F460 HydrophobicContact CB-CZ 3.77Å; L403-F460 HydrophobicContact CD1-CB 4.46Å; L403-F460 HydrophobicContact CD1-CD2 3.76Å; L403-F460 HydrophobicContact CD1-CE2 4.06Å; L403-F460 HydrophobicContact CD1-CG 4.01Å; L403-L465 HydrophobicContact CD2-CD2 4.47Å
404	R	95	Very high	93.4	Very high	116 Å²	116	63.2 Å²	63.2	44%	0.438	35%	0.347	S	S	.	.	H	α-helix	trans	-67.3	-45	176.2	-175.1	68.9	-154.5	176.1	7.5	111	S402 Y406 C407 D408 D461	S402-R404 PolarHBondContact O-N 2.92Å; S402-R404 PolarHBondContact OG-N 2.73Å; R404-Y406 VanDerWaalsContact C-N 3.26Å; R404-Y406 PolarHBondContact O-N 3.26Å; R404-C407 WeakPolarHBondContact O-CB 3.29Å; R404-C407 PolarHBondContact O-N 2.97Å; R404-C407 VanDerWaalsContact O-N 3.09Å; R404-D408 IonicContact CZ-OD1 3.66Å; R404-D408 VanDerWaalsContact CZ-OD1 3.26Å; R404-D408 IonicContact NE-OD1 3.1Å; R404-D408 PolarHBondContact NE-OD1 2.85Å; R404-D408 IonicContact NE-OD2 3.14Å; R404-D408 PolarHBondContact NE-OD2 2.88Å; R404-D408 IonicContact NH2-OD1 3.8Å; R404-D408 PolarHBondContact NH2-OD1 3.42Å; R404-D408 VanDerWaalsContact O-CG 3.31Å; R404-D408 PolarHBondContact O-N 3.36Å; R404-D461 IonicContact CZ-OD2 2.63Å; R404-D461 IonicContact NH1-OD2 3.33Å; R404-D461 PolarHBondContact NH1-OD2 3.11Å
405	D	95.2	Very high	93.5	Very high	62 Å²	62	68.4 Å²	68.4	33%	0.332	36%	0.36	S	S	.	.	H	α-helix	trans	-61.5	-36.8	178.1	-57.6	-46.4	0	0	0	111.7	I401 S402 R409	I401-D405 HydrophobicContact CB-CB 4.12Å; S402-D405 WeakPolarHBondContact CB-OD2 3.42Å; S402-D405 PolarHBondContact N-OD2 3.24Å; S402-D405 PolarHBondContact O-N 3.39Å; S402-D405 PolarHBondContact OG-N 3.07Å; S402-D405 VanDerWaalsContact OG-N 3.16Å; S402-D405 PolarHBondContact OG-OD2 2.75Å; D405-R409 VanDerWaalsContact O-CZ 3.22Å; D405-R409 PolarHBondContact O-N 2.96Å; D405-R409 PolarHBondContact O-NH1 3.39Å
406	Y	96.9	Very high	93.7	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-61.8	-50.8	171.4	-176.6	-78.3	0	0	0	111.1	S402 L403 R404 D408 R409 M410 Q414 I417 Y418 E441 L443	S402-Y406 PolarHBondContact O-N 3.03Å; S402-Y406 VanDerWaalsContact O-N 3.15Å; L403-Y406 PolarHBondContact O-N 3.16Å; R404-Y406 VanDerWaalsContact C-N 3.26Å; R404-Y406 PolarHBondContact O-N 3.26Å; Y406-D408 VanDerWaalsContact C-N 3.27Å; Y406-D408 PolarHBondContact O-N 3.08Å; Y406-R409 CarbonylContact O-C 3.49Å; Y406-R409 PolarHBondContact O-N 2.69Å; Y406-M410 HydrophobicContact CD1-CG 3.88Å; Y406-M410 HydrophobicContact CD1-SD 4.29Å; Y406-M410 HydrophobicContact CE1-CG 3.75Å; Y406-M410 HydrophobicContact CE1-SD 4.19Å; Y406-M410 WeakPolarHBondContact O-CG 3.48Å; Y406-M410 PolarHBondContact O-N 2.99Å; Y406-M410 VanDerWaalsContact O-N 3.16Å; Y406-Q414 PolarHBondContact OH-NE2 3.37Å; Y406-Q414 VanDerWaalsContact OH-NE2 3.12Å; Y406-I417 HydrophobicContact CD1-CB 4.26Å; Y406-I417 HydrophobicContact CD1-CD1 4.4Å; Y406-I417 HydrophobicContact CD1-CG1 3.85Å; Y406-I417 HydrophobicContact CD1-CG2 3.82Å; Y406-I417 HydrophobicContact CD2-CG2 4.49Å; Y406-I417 HydrophobicContact CE1-CB 3.85Å; Y406-I417 HydrophobicContact CE1-CG1 3.71Å; Y406-I417 HydrophobicContact CE1-CG2 3.65Å; Y406-I417 HydrophobicContact CE2-CG2 4.29Å; Y406-I417 HydrophobicContact CG-CG2 4.26Å; Y406-Y418 PolarHBondContact OH-N 2.86Å; Y406-Y418 VanDerWaalsContact OH-N 3.07Å; Y406-E441 HydrophobicContact CD2-CB 4.16Å; Y406-E441 HydrophobicContact CD2-CG 3.84Å; Y406-E441 HydrophobicContact CE2-CB 3.63Å; Y406-E441 HydrophobicContact CE2-CG 3.72Å; Y406-E441 WeakPolarHBondContact CE2-O 3.33Å; Y406-E441 VanDerWaalsContact CZ-O 3.31Å; Y406-E441 PolarHBondContact OH-O 2.8Å; Y406-L443 HydrophobicContact CD2-CD1 4.22Å; Y406-L443 HydrophobicContact CD2-CD2 3.48Å; Y406-L443 VanDerWaalsContact CD2-CD2 3.48Å; Y406-L443 HydrophobicContact CD2-CG 3.67Å; Y406-L443 HydrophobicContact CE2-CD2 4.16Å; Y406-L443 HydrophobicContact CE2-CG 3.93Å; Y406-L443 HydrophobicContact CG-CD2 4.24Å; Y406-L443 HydrophobicContact CG-CG 4.44Å
407	C	95.4	Very high	93.9	Very high	19 Å²	19	57.7 Å²	57.7	13%	0.128	32%	0.319	C	S	.	.	H	α-helix	trans	-58.4	-39.6	-179.1	-68.4	0	0	0	0	112.3	L403 R404 R409 M410	L403-C407 PolarHBondContact O-N 3.47Å; L403-C407 PolarHBondContact O-SG 3.46Å; R404-C407 WeakPolarHBondContact O-CB 3.29Å; R404-C407 PolarHBondContact O-N 2.97Å; R404-C407 VanDerWaalsContact O-N 3.09Å; C407-R409 PolarHBondContact O-N 2.7Å; C407-M410 HydrophobicContact CB-SD 4.41Å; C407-M410 PolarHBondContact O-N 2.85Å
408	D	94.3	Very high	94.1	Very high	101 Å²	101	53.6 Å²	53.6	54%	0.54	29%	0.291	S	S	.	.	H	α-helix	trans	-69.9	-18	179.4	-65.4	-25.4	0	0	0	112.7	R404 Y406	R404-D408 IonicContact CZ-OD1 3.66Å; R404-D408 VanDerWaalsContact CZ-OD1 3.26Å; R404-D408 IonicContact NE-OD1 3.1Å; R404-D408 PolarHBondContact NE-OD1 2.85Å; R404-D408 IonicContact NE-OD2 3.14Å; R404-D408 PolarHBondContact NE-OD2 2.88Å; R404-D408 IonicContact NH2-OD1 3.8Å; R404-D408 PolarHBondContact NH2-OD1 3.42Å; R404-D408 VanDerWaalsContact O-CG 3.31Å; R404-D408 PolarHBondContact O-N 3.36Å; Y406-D408 VanDerWaalsContact C-N 3.27Å; Y406-D408 PolarHBondContact O-N 3.08Å
409	R	94.2	Very high	94.3	Very high	92 Å²	92	51.9 Å²	51.9	35%	0.347	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	3.8	176.5	-69.9	-167.7	-61.3	-82.5	-5	114.7	D405 Y406 C407 E441	D405-R409 VanDerWaalsContact O-CZ 3.22Å; D405-R409 PolarHBondContact O-N 2.96Å; D405-R409 PolarHBondContact O-NH1 3.39Å; Y406-R409 CarbonylContact O-C 3.49Å; Y406-R409 PolarHBondContact O-N 2.69Å; C407-R409 PolarHBondContact O-N 2.7Å; R409-E441 IonicContact CZ-OE1 2.83Å; R409-E441 IonicContact CZ-OE2 3.16Å; R409-E441 IonicContact NE-OE1 2.78Å; R409-E441 PolarHBondContact NE-OE1 3.4Å; R409-E441 IonicContact NE-OE2 3.53Å; R409-E441 PolarHBondContact NE-OE2 2.94Å; R409-E441 IonicContact NH2-OE1 2.72Å; R409-E441 PolarHBondContact NH2-OE1 3.31Å; R409-E441 IonicContact NH2-OE2 2.81Å
410	M	94.4	Very high	94.3	Very high	32 Å²	32	48.8 Å²	48.8	16%	0.158	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-60.3	143.5	179.6	-72.7	179	77.4	0	0	111.5	Y406 C407 Q414 E416 I417 K463	Y406-M410 HydrophobicContact CD1-CG 3.88Å; Y406-M410 HydrophobicContact CD1-SD 4.29Å; Y406-M410 HydrophobicContact CE1-CG 3.75Å; Y406-M410 HydrophobicContact CE1-SD 4.19Å; Y406-M410 WeakPolarHBondContact O-CG 3.48Å; Y406-M410 PolarHBondContact O-N 2.99Å; Y406-M410 VanDerWaalsContact O-N 3.16Å; C407-M410 HydrophobicContact CB-SD 4.41Å; C407-M410 PolarHBondContact O-N 2.85Å; M410-Q414 HydrophobicContact CB-CB 4.41Å; M410-Q414 HydrophobicContact CE-CB 3.82Å; M410-Q414 HydrophobicContact CE-CG 3.49Å; M410-Q414 VanDerWaalsContact CE-CG 3.49Å; M410-Q414 WeakPolarHBondContact CE-O 3.38Å; M410-E416 WeakPolarHBondContact CE-O 3.48Å; M410-I417 HydrophobicContact SD-CG1 4.45Å; M410-K463 HydrophobicContact CE-CD 3.98Å; M410-K463 HydrophobicContact CE-CG 4.13Å; M410-K463 HydrophobicContact SD-CD 4.29Å; M410-K463 HydrophobicContact SD-CG 4.01Å
411	Q	92.7	Very high	93.8	Very high	76 Å²	76	46.9 Å²	46.9	36%	0.355	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-63.6	152	174.2	-60.8	-179.6	0.3	0	0	110.9	G413 Q414 K438 N439	Q411-G413 PolarHBondContact O-N 3.46Å; Q411-Q414 HydrophobicContact CB-CB 4.33Å; Q411-Q414 VanDerWaalsContact N-OE1 3.11Å; Q411-Q414 VanDerWaalsContact O-CB 3.26Å; Q411-Q414 WeakPolarHBondContact O-CB 3.24Å; Q411-Q414 PolarHBondContact O-N 3.2Å; Q411-K438 PolarHBondContact NE2-O 3.2Å; Q411-N439 VanDerWaalsContact NE2-C 3.29Å; Q411-N439 PolarHBondContact NE2-O 3.07Å
412	A	90.4	Very high	93	Very high	111 Å²	111	47.7 Å²	47.7	92%	0.917	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	125	176.1	0	0	0	0	0	110.8	Q414	A412-Q414 VanDerWaalsContact C-N 3.34Å
413	G	90.1	Very high	92.4	Very high	74 Å²	74	48.3 Å²	48.3	76%	0.763	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-10.8	-178.3	0	0	0	0	0	115.3	Q411 R415	Q411-G413 PolarHBondContact O-N 3.46Å; G413-R415 PolarHBondContact O-N 3.18Å
414	Q	93	Very high	91.8	Very high	14 Å²	14	54.8 Å²	54.8	7%	0.065	29%	0.291	C	S	.	.			trans	-63.7	130.4	175.9	-169.6	-175	-19.1	0	0	110.6	Y406 M410 Q411 A412 E416 Y418 F440 K463	Y406-Q414 PolarHBondContact OH-NE2 3.37Å; Y406-Q414 VanDerWaalsContact OH-NE2 3.12Å; M410-Q414 HydrophobicContact CB-CB 4.41Å; M410-Q414 HydrophobicContact CE-CB 3.82Å; M410-Q414 HydrophobicContact CE-CG 3.49Å; M410-Q414 VanDerWaalsContact CE-CG 3.49Å; M410-Q414 WeakPolarHBondContact CE-O 3.38Å; Q411-Q414 HydrophobicContact CB-CB 4.33Å; Q411-Q414 VanDerWaalsContact N-OE1 3.11Å; Q411-Q414 VanDerWaalsContact O-CB 3.26Å; Q411-Q414 WeakPolarHBondContact O-CB 3.24Å; Q411-Q414 PolarHBondContact O-N 3.2Å; A412-Q414 VanDerWaalsContact C-N 3.34Å; Q414-E416 PolarHBondContact NE2-O 3.35Å; Q414-Y418 HydrophobicContact CG-CE2 4.43Å; Q414-F440 HydrophobicContact CG-CE1 4.4Å; Q414-K463 PolarHBondContact O-NZ 2.98Å
415	R	93.3	Very high	91.1	Very high	195 Å²	195	54.5 Å²	54.5	74%	0.736	30%	0.298	S	S	*	.			trans	-115.6	-5.1	-178.3	-64.8	-170.4	-178.7	-172.5	0.5	114.3	G413 K463 D464	G413-R415 PolarHBondContact O-N 3.18Å; R415-K463 VanDerWaalsContact O-CA 3.26Å; R415-K463 WeakPolarHBondContact O-CA 3.48Å; R415-K463 WeakPolarHBondContact O-CB 3.18Å; R415-D464 PolarHBondContact O-N 2.97Å
416	E	96.1	Very high	90.4	Very high	34 Å²	34	51.6 Å²	51.6	16%	0.159	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.9	-174	-57	178.8	140.6	0	0	110.2	M410 Q414 Y418 D464 V466 R474	M410-E416 WeakPolarHBondContact CE-O 3.48Å; Q414-E416 PolarHBondContact NE2-O 3.35Å; E416-Y418 HydrophobicContact CB-CE1 3.82Å; E416-Y418 HydrophobicContact CB-CE2 4.42Å; E416-Y418 VanDerWaalsContact OE2-CE1 3.29Å; E416-Y418 WeakPolarHBondContact OE2-CE1 3.45Å; E416-Y418 PolarHBondContact OE2-OH 3.01Å; E416-D464 CarbonylContact C-O 3.56Å; E416-D464 VanDerWaalsContact CA-O 3.24Å; E416-D464 WeakPolarHBondContact CA-O 3.22Å; E416-V466 HydrophobicContact CB-CG2 4.14Å; E416-V466 HydrophobicContact CG-CG2 4.1Å; E416-R474 IonicContact OE1-NH1 3.64Å; E416-R474 PolarHBondContact OE1-NH1 3.36Å
417	I	96.9	Very high	89.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.7	172.1	-61.6	174.4	0	0	0	107.5	L403 Y406 M410 L443 F460 K463 D464 L465 V466	L403-I417 HydrophobicContact CD2-CG2 4.45Å; Y406-I417 HydrophobicContact CD1-CB 4.26Å; Y406-I417 HydrophobicContact CD1-CD1 4.4Å; Y406-I417 HydrophobicContact CD1-CG1 3.85Å; Y406-I417 HydrophobicContact CD1-CG2 3.82Å; Y406-I417 HydrophobicContact CD2-CG2 4.49Å; Y406-I417 HydrophobicContact CE1-CB 3.85Å; Y406-I417 HydrophobicContact CE1-CG1 3.71Å; Y406-I417 HydrophobicContact CE1-CG2 3.65Å; Y406-I417 HydrophobicContact CE2-CG2 4.29Å; Y406-I417 HydrophobicContact CG-CG2 4.26Å; M410-I417 HydrophobicContact SD-CG1 4.45Å; I417-L443 HydrophobicContact CG2-CD1 3.66Å; I417-L443 HydrophobicContact CG2-CG 4.39Å; I417-F460 HydrophobicContact CD1-CB 4.08Å; I417-F460 HydrophobicContact CD1-CD1 4.33Å; I417-K463 HydrophobicContact CD1-CB 4.06Å; I417-K463 HydrophobicContact CG1-CB 3.92Å; I417-D464 PolarHBondContact N-O 2.77Å; I417-L465 HydrophobicContact CB-CG 4.37Å; I417-V466 PolarHBondContact O-N 2.89Å
418	Y	95.2	Very high	89.3	Confident	10 Å²	10	58.6 Å²	58.6	4%	0.039	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	137.7	-176.5	-58.4	-66	0	0	0	112.2	Y406 Q414 E416 F440 I442 L443 V466 F471	Y406-Y418 PolarHBondContact OH-N 2.86Å; Y406-Y418 VanDerWaalsContact OH-N 3.07Å; Q414-Y418 HydrophobicContact CG-CE2 4.43Å; E416-Y418 HydrophobicContact CB-CE1 3.82Å; E416-Y418 HydrophobicContact CB-CE2 4.42Å; E416-Y418 VanDerWaalsContact OE2-CE1 3.29Å; E416-Y418 WeakPolarHBondContact OE2-CE1 3.45Å; E416-Y418 PolarHBondContact OE2-OH 3.01Å; Y418-F440 HydrophobicContact CD2-CB 3.78Å; Y418-F440 HydrophobicContact CD2-CD1 4.4Å; Y418-F440 AromaticContact CD2-CD2 3.98Å; Y418-F440 HydrophobicContact CD2-CD2 3.98Å; Y418-F440 AromaticContact CD2-CG 3.82Å; Y418-F440 HydrophobicContact CD2-CG 3.82Å; Y418-F440 HydrophobicContact CE2-CB 4.13Å; Y418-F440 AromaticContact CE2-CD1 3.95Å; Y418-F440 HydrophobicContact CE2-CD1 3.95Å; Y418-F440 AromaticContact CE2-CD2 3.58Å; Y418-F440 HydrophobicContact CE2-CD2 3.58Å; Y418-F440 HydrophobicContact CE2-CE1 4.24Å; Y418-F440 AromaticContact CE2-CE2 3.86Å; Y418-F440 HydrophobicContact CE2-CE2 3.86Å; Y418-F440 AromaticContact CE2-CG 3.63Å; Y418-F440 HydrophobicContact CE2-CG 3.63Å; Y418-F440 HydrophobicContact CE2-CZ 4.19Å; Y418-I442 WeakPolarHBondContact O-CA 3.29Å; Y418-L443 PolarHBondContact O-N 2.94Å; Y418-V466 WeakPolarHBondContact CA-O 3.33Å; Y418-V466 HydrophobicContact CD1-CB 4.37Å; Y418-V466 HydrophobicContact CE1-CB 4.41Å; Y418-F471 HydrophobicContact CD1-CB 4.31Å; Y418-F471 HydrophobicContact CD1-CG 4.47Å; Y418-F471 HydrophobicContact CE1-CB 3.99Å; Y418-F471 AromaticContact CE1-CD2 3.53Å; Y418-F471 HydrophobicContact CE1-CD2 3.53Å; Y418-F471 HydrophobicContact CE1-CE2 4.21Å; Y418-F471 AromaticContact CE1-CG 3.84Å; Y418-F471 HydrophobicContact CE1-CG 3.84Å; Y418-F471 AromaticContact CZ-CD2 3.87Å
419	Y	94.3	Very high	88.9	Confident	3 Å²	3	54.3 Å²	54.3	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	155.1	177.4	68.5	-90.7	0	0	0	112.9	L443 L454 L465 V466 S467 V468	Y419-L443 CarbonylContact C-O 3.49Å; Y419-L443 VanDerWaalsContact CA-O 3.23Å; Y419-L443 WeakPolarHBondContact CA-O 3.49Å; Y419-L454 HydrophobicContact CD1-CD1 3.86Å; Y419-L454 HydrophobicContact CD2-CD1 3.64Å; Y419-L454 HydrophobicContact CE1-CB 4.21Å; Y419-L454 HydrophobicContact CE1-CD1 4.18Å; Y419-L454 HydrophobicContact CE2-CD1 3.99Å; Y419-L454 HydrophobicContact CG-CD1 3.57Å; Y419-L465 HydrophobicContact CD1-CB 4.45Å; Y419-L465 HydrophobicContact CE1-CB 4.15Å; Y419-V466 VanDerWaalsContact CE1-C 3.41Å; Y419-V466 PolarHBondContact N-O 3.47Å; Y419-S467 VanDerWaalsContact CE1-N 3.27Å; Y419-S467 WeakPolarHBondContact O-CA 3.19Å; Y419-V468 PolarHBondContact O-N 2.98Å
420	L	91.4	Very high	88.7	Confident	6 Å²	6	50 Å²	50	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	156.5	176.7	-165.8	56.9	0	0	0	110.8	A426 I442 L443 F444 C445 V468 E469	L420-A426 HydrophobicContact CB-CB 4.27Å; L420-A426 HydrophobicContact CD2-CB 3.5Å; L420-A426 HydrophobicContact CG-CB 3.92Å; L420-I442 HydrophobicContact CB-CG2 3.91Å; L420-L443 PolarHBondContact N-O 3.47Å; L420-F444 WeakPolarHBondContact O-CA 3.41Å; L420-C445 PolarHBondContact O-N 2.86Å; L420-V468 HydrophobicContact CB-CG2 4.41Å; L420-V468 HydrophobicContact CD1-CB 4.4Å; L420-E469 VanDerWaalsContact CD1-CD 3.45Å; L420-E469 HydrophobicContact CD1-CG 4.26Å; L420-E469 VanDerWaalsContact CD1-OE1 3.29Å; L420-E469 WeakPolarHBondContact CD1-OE1 3.37Å
421	N	83.3	Confident	88.5	Confident	28 Å²	28	48.6 Å²	48.6	15%	0.15	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	122.8	-179.5	-72.9	-25.4	0	0	0	111.6	C445 E451 R542	N421-C445 CarbonylContact C-O 3.53Å; N421-C445 WeakPolarHBondContact CA-O 3.37Å; N421-E451 PolarHBondContact ND2-OE1 3.41Å; N421-R542 PolarHBondContact ND2-NH1 3.22Å
422	S	78.1	Confident	88.3	Confident	26 Å²	26	46.8 Å²	46.8	18%	0.182	27%	0.266	C	S	.	.			trans	52.8	136.2	176.5	178	0	0	0	0	115.1	L424 L425 A426 C445	S422-L424 PolarHBondContact O-N 3.04Å; S422-L425 PolarHBondContact O-N 2.8Å; S422-A426 WeakPolarHBondContact O-CB 3.36Å; S422-A426 PolarHBondContact O-N 3.02Å; S422-C445 WeakPolarHBondContact CA-O 3.27Å; S422-C445 PolarHBondContact N-O 3.28Å
423	R	84.9	Confident	88.2	Confident	16 Å²	16	43 Å²	43	6%	0.06	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-47.5	176.5	179.9	-178.7	-69.1	-89.6	4.8	112.5	E391 S392 Q395 L425 A426 E427 F444 F446	E391-R423 IonicContact OE2-CZ 3.99Å; E391-R423 IonicContact OE2-NE 2.73Å; E391-R423 PolarHBondContact OE2-NE 2.87Å; E391-R423 IonicContact OE2-NH2 3.14Å; E391-R423 PolarHBondContact OE2-NH2 2.63Å; S392-R423 PolarHBondContact O-NH2 3.35Å; Q395-R423 PolarHBondContact O-NH2 3.1Å; R423-L425 VanDerWaalsContact C-N 3.35Å; R423-L425 PolarHBondContact O-N 2.81Å; R423-A426 PolarHBondContact O-N 3.22Å; R423-E427 WeakPolarHBondContact CD-OE1 3.28Å; R423-E427 VanDerWaalsContact CG-CD 3.46Å; R423-E427 HydrophobicContact CG-CG 4.08Å; R423-E427 WeakPolarHBondContact CG-OE1 3.3Å; R423-E427 IonicContact CZ-OE1 3.35Å; R423-E427 IonicContact NH1-OE1 2.73Å; R423-E427 PolarHBondContact NH1-OE1 2.81Å; R423-E427 WeakPolarHBondContact O-CB 3.39Å; R423-E427 WeakPolarHBondContact O-CG 3.45Å; R423-E427 PolarHBondContact O-N 3.09Å; R423-F444 HydrophobicContact CB-CB 4.39Å; R423-F444 HydrophobicContact CB-CD2 3.7Å; R423-F444 HydrophobicContact CB-CE2 4.08Å; R423-F444 HydrophobicContact CB-CG 3.99Å; R423-F444 HydrophobicContact CG-CD2 3.97Å; R423-F444 HydrophobicContact CG-CE2 3.85Å; R423-F444 HydrophobicContact CG-CZ 4.43Å; R423-F444 VanDerWaalsContact CZ-CE2 3.49Å; R423-F446 HydrophobicContact CB-CE1 4.29Å; R423-F446 HydrophobicContact CB-CZ 4Å
424	L	82.5	Confident	88	Confident	135 Å²	135	39.6 Å²	39.6	71%	0.707	19%	0.194	S	C	*	.	H	α-helix	trans	-62.4	-43.9	-175.4	180	67.7	0	0	0	111.6	S422 S428	S422-L424 PolarHBondContact O-N 3.04Å; L424-S428 PolarHBondContact O-N 3.02Å; L424-S428 PolarHBondContact O-OG 3.39Å
425	L	80.4	Confident	87.8	Confident	110 Å²	110	39 Å²	39	58%	0.576	19%	0.191	S	C	*	.	H	α-helix	trans	-72.3	-39.8	178.5	-65.6	176.6	0	0	0	110.6	S422 R423 S428 S429	S422-L425 PolarHBondContact O-N 2.8Å; R423-L425 VanDerWaalsContact C-N 3.35Å; R423-L425 PolarHBondContact O-N 2.81Å; L425-S428 CarbonylContact O-C 3.48Å; L425-S428 PolarHBondContact O-N 3.45Å; L425-S428 PolarHBondContact O-OG 2.83Å; L425-S429 WeakPolarHBondContact O-CB 3.33Å; L425-S429 PolarHBondContact O-N 2.87Å; L425-S429 VanDerWaalsContact O-N 3.09Å
426	A	82	Confident	87.4	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-54.9	177.3	0	0	0	0	0	112	L420 S422 R423 S428 S429 Y432 F444	L420-A426 HydrophobicContact CB-CB 4.27Å; L420-A426 HydrophobicContact CD2-CB 3.5Å; L420-A426 HydrophobicContact CG-CB 3.92Å; S422-A426 WeakPolarHBondContact O-CB 3.36Å; S422-A426 PolarHBondContact O-N 3.02Å; R423-A426 PolarHBondContact O-N 3.22Å; A426-S428 PolarHBondContact O-N 3.29Å; A426-S428 VanDerWaalsContact O-N 3.11Å; A426-S429 WeakPolarHBondContact O-CB 3.44Å; A426-S429 PolarHBondContact O-N 3.44Å; A426-Y432 HydrophobicContact CB-CD2 4.47Å; A426-Y432 WeakPolarHBondContact O-CB 3.44Å; A426-F444 HydrophobicContact CB-CD1 3.71Å; A426-F444 HydrophobicContact CB-CE1 3.35Å; A426-F444 HydrophobicContact CB-CZ 4.25Å
427	E	83.5	Confident	86.6	Confident	101 Å²	101	41.6 Å²	41.6	47%	0.472	21%	0.209	S	C	.	.	H	α-helix	trans	-63	-22.3	-176.8	-70.7	175.4	-179.5	0	0	112.9	R423 Y432	R423-E427 WeakPolarHBondContact CD-OE1 3.28Å; R423-E427 VanDerWaalsContact CG-CD 3.46Å; R423-E427 HydrophobicContact CG-CG 4.08Å; R423-E427 WeakPolarHBondContact CG-OE1 3.3Å; R423-E427 IonicContact CZ-OE1 3.35Å; R423-E427 IonicContact NH1-OE1 2.73Å; R423-E427 PolarHBondContact NH1-OE1 2.81Å; R423-E427 WeakPolarHBondContact O-CB 3.39Å; R423-E427 WeakPolarHBondContact O-CG 3.45Å; R423-E427 PolarHBondContact O-N 3.09Å; E427-Y432 HydrophobicContact CG-CE1 4.41Å
428	S	84.8	Confident	86	Confident	65 Å²	65	44.9 Å²	44.9	46%	0.455	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	17.6	173.7	62.5	0	0	0	0	113.9	L424 L425 A426 Y529	L424-S428 PolarHBondContact O-N 3.02Å; L424-S428 PolarHBondContact O-OG 3.39Å; L425-S428 CarbonylContact O-C 3.48Å; L425-S428 PolarHBondContact O-N 3.45Å; L425-S428 PolarHBondContact O-OG 2.83Å; A426-S428 PolarHBondContact O-N 3.29Å; A426-S428 VanDerWaalsContact O-N 3.11Å; S428-Y529 PolarHBondContact O-OH 3.44Å
429	S	86.2	Confident	85.7	Confident	11 Å²	11	50 Å²	50	8%	0.077	25%	0.252	C	S	.	.	S	Bend	trans	-104.6	143	-177.6	-177.2	0	0	0	0	112.7	L425 A426 Y431 Y432 E433	L425-S429 WeakPolarHBondContact O-CB 3.33Å; L425-S429 PolarHBondContact O-N 2.87Å; L425-S429 VanDerWaalsContact O-N 3.09Å; A426-S429 WeakPolarHBondContact O-CB 3.44Å; A426-S429 PolarHBondContact O-N 3.44Å; S429-Y431 PolarHBondContact O-N 2.66Å; S429-Y431 WeakPolarHBondContact OG-CD2 3.49Å; S429-Y431 PolarHBondContact OG-N 2.98Å; S429-Y432 PolarHBondContact O-N 3.28Å; S429-E433 PolarHBondContact O-N 2.96Å
430	P	89.2	Confident	85.6	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-28.8	168.1	23.5	-34.4	0	0	0	113.3	E433 A434 L526 Y529 M532	P430-E433 PolarHBondContact O-N 2.84Å; P430-A434 WeakPolarHBondContact O-CB 3.3Å; P430-A434 PolarHBondContact O-N 3.34Å; P430-L526 HydrophobicContact CB-CD2 3.7Å; P430-Y529 HydrophobicContact CB-CD1 4.43Å; P430-Y529 HydrophobicContact CB-CD2 3.67Å; P430-Y529 HydrophobicContact CB-CE2 4.22Å; P430-Y529 HydrophobicContact CB-CG 3.84Å; P430-Y529 HydrophobicContact CG-CG 4.47Å; P430-M532 HydrophobicContact CB-CB 3.94Å; P430-M532 HydrophobicContact CG-CB 4.09Å
431	Y	90.1	Very high	85.7	Confident	3 Å²	3	51.7 Å²	51.7	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-67.6	-38.6	179.8	-53.7	-66.1	0	0	0	112	S429 I435 V468 E469 L472 M532 I533 A604	S429-Y431 PolarHBondContact O-N 2.66Å; S429-Y431 WeakPolarHBondContact OG-CD2 3.49Å; S429-Y431 PolarHBondContact OG-N 2.98Å; Y431-I435 PolarHBondContact O-N 3.16Å; Y431-V468 WeakPolarHBondContact O-CG1 3.47Å; Y431-E469 HydrophobicContact CD1-CB 4.16Å; Y431-E469 HydrophobicContact CD1-CG 3.59Å; Y431-E469 HydrophobicContact CD2-CG 3.76Å; Y431-E469 HydrophobicContact CE1-CB 4.24Å; Y431-E469 HydrophobicContact CE1-CG 3.8Å; Y431-E469 HydrophobicContact CE2-CG 4.02Å; Y431-E469 HydrophobicContact CG-CG 3.61Å; Y431-L472 HydrophobicContact CD1-CD1 4.13Å; Y431-M532 HydrophobicContact CD1-CE 3.27Å; Y431-M532 HydrophobicContact CE1-CE 3.33Å; Y431-M532 HydrophobicContact CG-CE 4.41Å; Y431-I533 WeakPolarHBondContact CE1-O 3.48Å; Y431-I533 PolarHBondContact OH-O 2.92Å; Y431-A604 WeakPolarHBondContact OH-CA 3.45Å; Y431-A604 WeakPolarHBondContact OH-CB 3.33Å
432	Y	89.2	Confident	86.3	Confident	39 Å²	39	50.6 Å²	50.6	15%	0.153	25%	0.253	C	S	.	.	H	α-helix	trans	-74.1	-39	177.9	-170.5	-99.3	0	0	0	111.3	S393 A426 E427 S429 A434 I435 K436 I442 F444	S393-Y432 WeakPolarHBondContact CB-OH 3.49Å; A426-Y432 HydrophobicContact CB-CD2 4.47Å; A426-Y432 WeakPolarHBondContact O-CB 3.44Å; E427-Y432 HydrophobicContact CG-CE1 4.41Å; S429-Y432 PolarHBondContact O-N 3.28Å; Y432-A434 VanDerWaalsContact C-N 3.28Å; Y432-A434 PolarHBondContact O-N 3.04Å; Y432-I435 PolarHBondContact O-N 2.7Å; Y432-K436 WeakPolarHBondContact O-CB 3.48Å; Y432-K436 PolarHBondContact O-N 3.09Å; Y432-K436 VanDerWaalsContact O-N 3.1Å; Y432-I442 HydrophobicContact CD2-CD1 3.59Å; Y432-I442 HydrophobicContact CE2-CB 4.48Å; Y432-I442 HydrophobicContact CE2-CD1 3.53Å; Y432-F444 HydrophobicContact CD2-CE1 4.38Å; Y432-F444 HydrophobicContact CE2-CE1 4.14Å; Y432-F444 AromaticContact CE2-CZ 3.89Å; Y432-F444 HydrophobicContact CE2-CZ 3.89Å
433	E	88.3	Confident	87.1	Confident	32 Å²	32	49.3 Å²	49.3	15%	0.15	24%	0.244	C	C	.	.	H	α-helix	trans	-54.5	-48.4	172.4	-172.4	-177.6	-167.8	0	0	110.7	S429 P430 I435 K436 T527 T528 Y529	S429-E433 PolarHBondContact O-N 2.96Å; P430-E433 PolarHBondContact O-N 2.84Å; E433-I435 VanDerWaalsContact C-N 3.3Å; E433-I435 PolarHBondContact O-N 2.88Å; E433-K436 WeakPolarHBondContact O-CB 3.44Å; E433-K436 PolarHBondContact O-N 3.15Å; E433-T527 WeakPolarHBondContact OE1-CA 3.43Å; E433-T527 WeakPolarHBondContact OE1-CB 3.49Å; E433-T527 PolarHBondContact OE1-N 2.79Å; E433-T527 PolarHBondContact OE1-OG1 3.3Å; E433-T527 PolarHBondContact OE2-N 3.47Å; E433-T528 PolarHBondContact OE1-N 3.14Å; E433-T528 PolarHBondContact OE1-OG1 3.14Å; E433-T528 PolarHBondContact OE2-N 2.89Å; E433-T528 PolarHBondContact OE2-OG1 2.83Å; E433-Y529 HydrophobicContact CB-CE2 4.46Å; E433-Y529 WeakPolarHBondContact OE2-CD2 3.4Å
434	A	86.3	Confident	87.5	Confident	2 Å²	2	48.6 Å²	48.6	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-59.9	-36.9	-176.6	0	0	0	0	0	114.1	P430 Y432 L472 F510 K525	P430-A434 WeakPolarHBondContact O-CB 3.3Å; P430-A434 PolarHBondContact O-N 3.34Å; Y432-A434 VanDerWaalsContact C-N 3.28Å; Y432-A434 PolarHBondContact O-N 3.04Å; A434-L472 HydrophobicContact CB-CD1 3.78Å; A434-L472 HydrophobicContact CB-CD2 3.83Å; A434-L472 HydrophobicContact CB-CG 4.49Å; A434-F510 WeakPolarHBondContact O-CE2 3.31Å; A434-F510 WeakPolarHBondContact O-CZ 3.37Å; A434-K525 WeakPolarHBondContact CA-O 3.4Å; A434-K525 HydrophobicContact CB-CB 3.98Å; A434-K525 WeakPolarHBondContact CB-O 3.37Å
435	I	88	Confident	87.9	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-93.8	-8.2	-177	-158.8	162	0	0	0	113.4	Y431 Y432 E433 E437 K438 F440 I442 V468 F471	Y431-I435 PolarHBondContact O-N 3.16Å; Y432-I435 PolarHBondContact O-N 2.7Å; E433-I435 VanDerWaalsContact C-N 3.3Å; E433-I435 PolarHBondContact O-N 2.88Å; I435-E437 VanDerWaalsContact C-N 3.28Å; I435-E437 PolarHBondContact O-N 2.87Å; I435-K438 HydrophobicContact CG1-CB 4.23Å; I435-K438 HydrophobicContact CG1-CG 4.3Å; I435-K438 WeakPolarHBondContact O-CB 3.49Å; I435-K438 PolarHBondContact O-N 3.5Å; I435-F440 HydrophobicContact CD1-CD2 3.91Å; I435-F440 HydrophobicContact CG1-CD2 3.91Å; I435-I442 HydrophobicContact CG2-CD1 3.47Å; I435-I442 VanDerWaalsContact CG2-CD1 3.47Å; I435-V468 HydrophobicContact CB-CG1 4.09Å; I435-V468 HydrophobicContact CD1-CG1 3.98Å; I435-V468 HydrophobicContact CD1-CG2 4.27Å; I435-V468 HydrophobicContact CG2-CG1 3.79Å; I435-V468 HydrophobicContact CG2-CG2 4.48Å; I435-F471 HydrophobicContact CD1-CD1 3.6Å; I435-F471 HydrophobicContact CD1-CE1 3.83Å; I435-F471 HydrophobicContact CD1-CG 4.36Å; I435-F471 HydrophobicContact CG1-CD1 4.46Å; I435-F471 HydrophobicContact CG1-CE1 4.29Å
436	K	84.8	Confident	88.2	Confident	147 Å²	147	42.1 Å²	42.1	64%	0.639	20%	0.203	S	C	*	.	H	α-helix	trans	-55.8	-40.7	-173.8	-169.5	175.8	180	179.6	0	112.9	Y432 E433 K438 N439	Y432-K436 WeakPolarHBondContact O-CB 3.48Å; Y432-K436 PolarHBondContact O-N 3.09Å; Y432-K436 VanDerWaalsContact O-N 3.1Å; E433-K436 WeakPolarHBondContact O-CB 3.44Å; E433-K436 PolarHBondContact O-N 3.15Å; K436-K438 PolarHBondContact O-N 3.01Å; K436-N439 PolarHBondContact O-N 2.95Å
437	E	80.5	Confident	88.4	Confident	136 Å²	136	43.2 Å²	43.2	64%	0.636	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.4	179.6	-63.4	-172.1	165.3	0	0	113.6	I435 N439 T523	I435-E437 VanDerWaalsContact C-N 3.28Å; I435-E437 PolarHBondContact O-N 2.87Å; E437-N439 PolarHBondContact O-N 2.83Å; E437-T523 WeakPolarHBondContact OE2-CG2 3.35Å
438	K	84.2	Confident	88.1	Confident	70 Å²	70	42.1 Å²	42.1	30%	0.304	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-12	176.4	-57.9	-65.8	-173.9	-180	0	112.7	Q411 I435 K436 F440	Q411-K438 PolarHBondContact NE2-O 3.2Å; I435-K438 HydrophobicContact CG1-CB 4.23Å; I435-K438 HydrophobicContact CG1-CG 4.3Å; I435-K438 WeakPolarHBondContact O-CB 3.49Å; I435-K438 PolarHBondContact O-N 3.5Å; K436-K438 PolarHBondContact O-N 3.01Å; K438-F440 HydrophobicContact CB-CD2 3.55Å; K438-F440 HydrophobicContact CB-CE2 3.56Å; K438-F440 HydrophobicContact CB-CG 4.26Å; K438-F440 HydrophobicContact CB-CZ 4.27Å; K438-F440 HydrophobicContact CG-CD2 4.39Å; K438-F440 HydrophobicContact CG-CE2 4.1Å; K438-F440 PolarHBondContact O-N 2.91Å
439	N	87.8	Confident	88.1	Confident	118 Å²	118	40.6 Å²	40.6	63%	0.631	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	29.2	178.1	-165.5	39.7	0	0	0	114.2	Q411 K436 E437	Q411-N439 VanDerWaalsContact NE2-C 3.29Å; Q411-N439 PolarHBondContact NE2-O 3.07Å; K436-N439 PolarHBondContact O-N 2.95Å; E437-N439 PolarHBondContact O-N 2.83Å
440	F	91.6	Very high	88.3	Confident	37 Å²	37	40.7 Å²	40.7	16%	0.162	20%	0.201	C	C	.	.			trans	-76.2	142	175.5	-66.6	-48.1	0	0	0	111.4	Q414 Y418 I435 K438 F471	Q414-F440 HydrophobicContact CG-CE1 4.4Å; Y418-F440 HydrophobicContact CD2-CB 3.78Å; Y418-F440 HydrophobicContact CD2-CD1 4.4Å; Y418-F440 AromaticContact CD2-CD2 3.98Å; Y418-F440 HydrophobicContact CD2-CD2 3.98Å; Y418-F440 AromaticContact CD2-CG 3.82Å; Y418-F440 HydrophobicContact CD2-CG 3.82Å; Y418-F440 HydrophobicContact CE2-CB 4.13Å; Y418-F440 AromaticContact CE2-CD1 3.95Å; Y418-F440 HydrophobicContact CE2-CD1 3.95Å; Y418-F440 AromaticContact CE2-CD2 3.58Å; Y418-F440 HydrophobicContact CE2-CD2 3.58Å; Y418-F440 HydrophobicContact CE2-CE1 4.24Å; Y418-F440 AromaticContact CE2-CE2 3.86Å; Y418-F440 HydrophobicContact CE2-CE2 3.86Å; Y418-F440 AromaticContact CE2-CG 3.63Å; Y418-F440 HydrophobicContact CE2-CG 3.63Å; Y418-F440 HydrophobicContact CE2-CZ 4.19Å; I435-F440 HydrophobicContact CD1-CD2 3.91Å; I435-F440 HydrophobicContact CG1-CD2 3.91Å; K438-F440 HydrophobicContact CB-CD2 3.55Å; K438-F440 HydrophobicContact CB-CE2 3.56Å; K438-F440 HydrophobicContact CB-CG 4.26Å; K438-F440 HydrophobicContact CB-CZ 4.27Å; K438-F440 HydrophobicContact CG-CD2 4.39Å; K438-F440 HydrophobicContact CG-CE2 4.1Å; K438-F440 PolarHBondContact O-N 2.91Å; F440-F471 HydrophobicContact CE2-CZ 4.1Å
441	E	94.4	Very high	88	Confident	7 Å²	7	40.7 Å²	40.7	3%	0.033	20%	0.201	C	C	.	.			trans	-69.3	135.5	167.3	-167.7	165.6	154.5	0	0	109.2	S392 N394 I401 Y406 R409	S392-E441 WeakPolarHBondContact CB-OE1 3.11Å; S392-E441 WeakPolarHBondContact OG-CG 3.47Å; S392-E441 PolarHBondContact OG-OE1 3.35Å; N394-E441 HydrophobicContact CB-CG 4.03Å; N394-E441 WeakPolarHBondContact ND2-CB 3.12Å; N394-E441 WeakPolarHBondContact ND2-CG 3.29Å; N394-E441 PolarHBondContact ND2-OE2 3.34Å; I401-E441 VanDerWaalsContact CD1-OE1 3.23Å; I401-E441 WeakPolarHBondContact CD1-OE1 3.28Å; Y406-E441 HydrophobicContact CD2-CB 4.16Å; Y406-E441 HydrophobicContact CD2-CG 3.84Å; Y406-E441 HydrophobicContact CE2-CB 3.63Å; Y406-E441 HydrophobicContact CE2-CG 3.72Å; Y406-E441 WeakPolarHBondContact CE2-O 3.33Å; Y406-E441 VanDerWaalsContact CZ-O 3.31Å; Y406-E441 PolarHBondContact OH-O 2.8Å; R409-E441 IonicContact CZ-OE1 2.83Å; R409-E441 IonicContact CZ-OE2 3.16Å; R409-E441 IonicContact NE-OE1 2.78Å; R409-E441 PolarHBondContact NE-OE1 3.4Å; R409-E441 IonicContact NE-OE2 3.53Å; R409-E441 PolarHBondContact NE-OE2 2.94Å; R409-E441 IonicContact NH2-OE1 2.72Å; R409-E441 PolarHBondContact NH2-OE1 3.31Å; R409-E441 IonicContact NH2-OE2 2.81Å
442	I	94.7	Very high	87.8	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.7	-177.5	-63.1	163.6	0	0	0	108.7	S392 S393 Y418 L420 Y432 I435 F444 V468	S392-I442 CarbonylContact C-O 3.56Å; S392-I442 VanDerWaalsContact CA-O 3.28Å; S392-I442 WeakPolarHBondContact CA-O 3.28Å; S393-I442 PolarHBondContact N-O 3.49Å; S393-I442 PolarHBondContact OG-N 3.2Å; Y418-I442 WeakPolarHBondContact O-CA 3.29Å; L420-I442 HydrophobicContact CB-CG2 3.91Å; Y432-I442 HydrophobicContact CD2-CD1 3.59Å; Y432-I442 HydrophobicContact CE2-CB 4.48Å; Y432-I442 HydrophobicContact CE2-CD1 3.53Å; I435-I442 HydrophobicContact CG2-CD1 3.47Å; I435-I442 VanDerWaalsContact CG2-CD1 3.47Å; I442-F444 HydrophobicContact CB-CE1 4.47Å; I442-F444 HydrophobicContact CG2-CD1 4.31Å; I442-F444 HydrophobicContact CG2-CE1 3.94Å; I442-V468 HydrophobicContact CD1-CG2 4.11Å; I442-V468 HydrophobicContact CG1-CG2 4.18Å; I442-V468 HydrophobicContact CG2-CG2 4.11Å
443	L	95.5	Very high	88	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	135.7	172.8	-61.5	179.6	0	0	0	110.9	F390 E391 I401 L403 Y406 I417 Y418 Y419 L420	F390-L443 HydrophobicContact CB-CB 4.35Å; F390-L443 HydrophobicContact CB-CD2 4.08Å; F390-L443 HydrophobicContact CD2-CD1 4.26Å; F390-L443 HydrophobicContact CG-CD1 4.48Å; E391-L443 CarbonylContact O-C 3.55Å; E391-L443 WeakPolarHBondContact O-CA 3.45Å; I401-L443 HydrophobicContact CD1-CD2 3.71Å; I401-L443 HydrophobicContact CG1-CD2 4.2Å; L403-L443 HydrophobicContact CD2-CD1 3.6Å; Y406-L443 HydrophobicContact CD2-CD1 4.22Å; Y406-L443 HydrophobicContact CD2-CD2 3.48Å; Y406-L443 VanDerWaalsContact CD2-CD2 3.48Å; Y406-L443 HydrophobicContact CD2-CG 3.67Å; Y406-L443 HydrophobicContact CE2-CD2 4.16Å; Y406-L443 HydrophobicContact CE2-CG 3.93Å; Y406-L443 HydrophobicContact CG-CD2 4.24Å; Y406-L443 HydrophobicContact CG-CG 4.44Å; I417-L443 HydrophobicContact CG2-CD1 3.66Å; I417-L443 HydrophobicContact CG2-CG 4.39Å; Y418-L443 PolarHBondContact O-N 2.94Å; Y419-L443 CarbonylContact C-O 3.49Å; Y419-L443 VanDerWaalsContact CA-O 3.23Å; Y419-L443 WeakPolarHBondContact CA-O 3.49Å; L420-L443 PolarHBondContact N-O 3.47Å
444	F	94.1	Very high	88.2	Confident	1 Å²	1	40 Å²	40	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.3	176	-59.2	-50.7	0	0	0	111.7	E391 L420 R423 A426 Y432 I442 F446	E391-F444 HydrophobicContact CB-CB 4.22Å; E391-F444 HydrophobicContact CB-CD2 4.2Å; E391-F444 PolarHBondContact O-N 3.21Å; L420-F444 WeakPolarHBondContact O-CA 3.41Å; R423-F444 HydrophobicContact CB-CB 4.39Å; R423-F444 HydrophobicContact CB-CD2 3.7Å; R423-F444 HydrophobicContact CB-CE2 4.08Å; R423-F444 HydrophobicContact CB-CG 3.99Å; R423-F444 HydrophobicContact CG-CD2 3.97Å; R423-F444 HydrophobicContact CG-CE2 3.85Å; R423-F444 HydrophobicContact CG-CZ 4.43Å; R423-F444 VanDerWaalsContact CZ-CE2 3.49Å; A426-F444 HydrophobicContact CB-CD1 3.71Å; A426-F444 HydrophobicContact CB-CE1 3.35Å; A426-F444 HydrophobicContact CB-CZ 4.25Å; Y432-F444 HydrophobicContact CD2-CE1 4.38Å; Y432-F444 HydrophobicContact CE2-CE1 4.14Å; Y432-F444 AromaticContact CE2-CZ 3.89Å; Y432-F444 HydrophobicContact CE2-CZ 3.89Å; I442-F444 HydrophobicContact CB-CE1 4.47Å; I442-F444 HydrophobicContact CG2-CD1 4.31Å; I442-F444 HydrophobicContact CG2-CE1 3.94Å; F444-F446 HydrophobicContact CB-CE2 4.11Å; F444-F446 HydrophobicContact CB-CZ 4.24Å
445	C	90.1	Very high	88.4	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.8	-178	-62.9	0	0	0	0	110.4	L420 N421 S422 D450 L454	L420-C445 PolarHBondContact O-N 2.86Å; N421-C445 CarbonylContact C-O 3.53Å; N421-C445 WeakPolarHBondContact CA-O 3.37Å; S422-C445 WeakPolarHBondContact CA-O 3.27Å; S422-C445 PolarHBondContact N-O 3.28Å; C445-D450 HydrophobicContact CB-CB 3.59Å; C445-L454 WeakPolarHBondContact SG-CD1 3.38Å
446	F	87.6	Confident	88.6	Confident	105 Å²	105	44 Å²	44	46%	0.461	23%	0.226	S	C	.	.			trans	-101.2	-21.5	-173.4	-66.8	-85.7	0	0	0	113.4	E391 R423 F444 D450	E391-F446 HydrophobicContact CB-CE2 3.85Å; E391-F446 HydrophobicContact CB-CZ 4.25Å; E391-F446 HydrophobicContact CG-CE2 3.68Å; E391-F446 HydrophobicContact CG-CZ 4.06Å; R423-F446 HydrophobicContact CB-CE1 4.29Å; R423-F446 HydrophobicContact CB-CZ 4Å; F444-F446 HydrophobicContact CB-CE2 4.11Å; F444-F446 HydrophobicContact CB-CZ 4.24Å; F446-D450 PolarHBondContact N-OD2 2.91Å
447	D	85	Confident	89.1	Confident	25 Å²	25	37 Å²	37	13%	0.134	20%	0.196	C	C	.	.	S	Bend	trans	-101.8	135	-175	-171.4	-41.2	0	0	0	109.5	R365 H366 K369 A449 D450	R365-D447 IonicContact NE-OD2 3.8Å; R365-D447 IonicContact NH2-OD2 3.85Å; H366-D447 IonicContact CD2-OD2 3.72Å; H366-D447 IonicContact NE2-OD2 3.58Å; H366-D447 PolarHBondContact NE2-OD2 3.01Å; K369-D447 IonicContact NZ-OD1 2.99Å; K369-D447 IonicContact NZ-OD2 2.79Å; K369-D447 PolarHBondContact NZ-OD2 2.99Å; D447-A449 PolarHBondContact O-N 3.33Å; D447-A449 WeakPolarHBondContact OD1-CB 3.45Å; D447-A449 PolarHBondContact OD1-N 3.28Å; D447-D450 WeakPolarHBondContact CB-OD2 3.04Å; D447-D450 PolarHBondContact N-OD2 3Å; D447-D450 VanDerWaalsContact O-CB 3.23Å; D447-D450 WeakPolarHBondContact O-CB 3.33Å; D447-D450 PolarHBondContact O-N 3.19Å
448	P	77.8	Confident	89.8	Confident	78 Å²	78	38.9 Å²	38.9	51%	0.506	20%	0.197	S	C	.	.	H	α-helix	trans	-52.5	-28.8	175.2	-27.2	35.1	0	0	0	114.1	D450	P448-D450 VanDerWaalsContact C-N 3.31Å
449	A	84.7	Confident	90.4	Very high	33 Å²	33	38.5 Å²	38.5	27%	0.273	20%	0.197	S	C	.	.	H	α-helix	trans	-73.3	-18.9	177.3	0	0	0	0	0	113.7	K369 D447 E451 V452 T453	K369-A449 HydrophobicContact CD-CB 4.03Å; D447-A449 PolarHBondContact O-N 3.33Å; D447-A449 WeakPolarHBondContact OD1-CB 3.45Å; D447-A449 PolarHBondContact OD1-N 3.28Å; A449-E451 VanDerWaalsContact C-N 3.35Å; A449-E451 PolarHBondContact O-N 2.85Å; A449-V452 PolarHBondContact O-N 3.02Å; A449-T453 WeakPolarHBondContact O-CB 3.37Å; A449-T453 PolarHBondContact O-N 2.63Å; A449-T453 PolarHBondContact O-OG1 2.88Å
450	D	89.5	Confident	90.8	Very high	12 Å²	12	33.2 Å²	33.2	6%	0.064	17%	0.168	C	C	.	.	H	α-helix	trans	-61.2	-45.4	179.7	-69.5	-25	0	0	0	110.7	K369 C445 F446 D447 P448 V452 T453 L454	K369-D450 WeakPolarHBondContact CE-OD1 3.42Å; K369-D450 IonicContact NZ-OD1 3.41Å; K369-D450 PolarHBondContact NZ-OD1 3.28Å; K369-D450 IonicContact NZ-OD2 2.85Å; C445-D450 HydrophobicContact CB-CB 3.59Å; F446-D450 PolarHBondContact N-OD2 2.91Å; D447-D450 WeakPolarHBondContact CB-OD2 3.04Å; D447-D450 PolarHBondContact N-OD2 3Å; D447-D450 VanDerWaalsContact O-CB 3.23Å; D447-D450 WeakPolarHBondContact O-CB 3.33Å; D447-D450 PolarHBondContact O-N 3.19Å; P448-D450 VanDerWaalsContact C-N 3.31Å; D450-V452 PolarHBondContact O-N 2.84Å; D450-T453 CarbonylContact O-C 3.54Å; D450-T453 WeakPolarHBondContact O-CA 3.29Å; D450-T453 WeakPolarHBondContact O-CB 3.35Å; D450-T453 PolarHBondContact O-N 2.94Å; D450-L454 WeakPolarHBondContact O-CG 3.26Å; D450-L454 PolarHBondContact O-N 3.5Å
451	E	83.6	Confident	91	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-58.7	-47	-179.2	-167.9	162.7	-139.1	0	0	111.3	N421 A449 T453 L455 G539 R542 R546	N421-E451 PolarHBondContact ND2-OE1 3.41Å; A449-E451 VanDerWaalsContact C-N 3.35Å; A449-E451 PolarHBondContact O-N 2.85Å; E451-T453 VanDerWaalsContact C-N 3.33Å; E451-T453 PolarHBondContact O-N 3.28Å; E451-L455 WeakPolarHBondContact O-CB 3.26Å; E451-L455 WeakPolarHBondContact O-CG 3.47Å; E451-L455 PolarHBondContact O-N 3.48Å; E451-G539 VanDerWaalsContact CD-CA 3.49Å; E451-G539 WeakPolarHBondContact OE1-CA 3.37Å; E451-R542 IonicContact OE1-NH1 2.64Å; E451-R546 IonicContact OE2-CZ 3Å; E451-R546 IonicContact OE2-NH1 3.26Å; E451-R546 PolarHBondContact OE2-NH1 3.2Å; E451-R546 IonicContact OE2-NH2 3.06Å
452	V	86.6	Confident	91	Very high	58 Å²	58	44.8 Å²	44.8	35%	0.352	22%	0.215	S	C	.	.	H	α-helix	trans	-64.1	-39	174.4	-179.3	0	0	0	0	111.5	I373 A449 D450 S456 S543	I373-V452 HydrophobicContact CD1-CG1 4Å; I373-V452 HydrophobicContact CG1-CG1 4.48Å; A449-V452 PolarHBondContact O-N 3.02Å; D450-V452 PolarHBondContact O-N 2.84Å; V452-S456 WeakPolarHBondContact O-CB 3.32Å; V452-S456 PolarHBondContact O-N 3.42Å; V452-S543 VanDerWaalsContact CG2-OG 3.32Å; V452-S543 WeakPolarHBondContact CG2-OG 3.41Å
453	T	92.1	Very high	91.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-64.6	-47.8	-179.9	-58.7	0	0	0	0	111.1	K369 I372 L388 A449 D450 E451 S456 L457	K369-T453 HydrophobicContact CB-CG2 4.26Å; K369-T453 WeakPolarHBondContact CB-OG1 3.22Å; K369-T453 HydrophobicContact CG-CG2 4.17Å; I372-T453 HydrophobicContact CB-CG2 4.03Å; I372-T453 HydrophobicContact CD1-CG2 3.7Å; I372-T453 HydrophobicContact CG1-CG2 4.49Å; I372-T453 HydrophobicContact CG2-CG2 3.93Å; L388-T453 HydrophobicContact CD1-CG2 4.21Å; A449-T453 WeakPolarHBondContact O-CB 3.37Å; A449-T453 PolarHBondContact O-N 2.63Å; A449-T453 PolarHBondContact O-OG1 2.88Å; D450-T453 CarbonylContact O-C 3.54Å; D450-T453 WeakPolarHBondContact O-CA 3.29Å; D450-T453 WeakPolarHBondContact O-CB 3.35Å; D450-T453 PolarHBondContact O-N 2.94Å; E451-T453 VanDerWaalsContact C-N 3.33Å; E451-T453 PolarHBondContact O-N 3.28Å; T453-S456 PolarHBondContact O-N 3.42Å; T453-L457 WeakPolarHBondContact O-CB 3.26Å; T453-L457 PolarHBondContact O-N 3.32Å
454	L	93.6	Very high	91.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-68.8	-37.4	-179.8	-60.5	179.7	0	0	0	111.7	F390 Y419 C445 D450 S456 L457 R458 L465	F390-L454 HydrophobicContact CE1-CD2 4.31Å; F390-L454 HydrophobicContact CZ-CD2 3.85Å; Y419-L454 HydrophobicContact CD1-CD1 3.86Å; Y419-L454 HydrophobicContact CD2-CD1 3.64Å; Y419-L454 HydrophobicContact CE1-CB 4.21Å; Y419-L454 HydrophobicContact CE1-CD1 4.18Å; Y419-L454 HydrophobicContact CE2-CD1 3.99Å; Y419-L454 HydrophobicContact CG-CD1 3.57Å; C445-L454 WeakPolarHBondContact SG-CD1 3.38Å; D450-L454 WeakPolarHBondContact O-CG 3.26Å; D450-L454 PolarHBondContact O-N 3.5Å; L454-S456 VanDerWaalsContact C-N 3.35Å; L454-S456 PolarHBondContact O-N 3.22Å; L454-L457 HydrophobicContact CD2-CD2 4.48Å; L454-L457 PolarHBondContact O-N 2.94Å; L454-R458 PolarHBondContact O-N 2.99Å; L454-L465 HydrophobicContact CB-CD2 4.1Å; L454-L465 HydrophobicContact CD2-CD2 3.47Å; L454-L465 VanDerWaalsContact CD2-CD2 3.47Å; L454-L465 HydrophobicContact CG-CD2 4.19Å
455	L	89.7	Confident	91.2	Very high	61 Å²	61	52 Å²	52	32%	0.319	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-40.5	171.6	-72.4	171.1	0	0	0	112.1	E451 R458 A540	E451-L455 WeakPolarHBondContact O-CB 3.26Å; E451-L455 WeakPolarHBondContact O-CG 3.47Å; E451-L455 PolarHBondContact O-N 3.48Å; L455-R458 WeakPolarHBondContact O-CG 3.48Å; L455-A540 HydrophobicContact CD1-CB 4.08Å
456	S	91.8	Very high	91.3	Very high	25 Å²	25	52 Å²	52	18%	0.175	25%	0.251	C	S	.	.	H	α-helix	trans	-69.6	-37	175	-175.1	0	0	0	0	112.3	K381 V452 T453 L454 R458	K381-S456 WeakPolarHBondContact CD-O 3.38Å; K381-S456 PolarHBondContact NZ-O 2.97Å; K381-S456 PolarHBondContact NZ-OG 3.2Å; V452-S456 WeakPolarHBondContact O-CB 3.32Å; V452-S456 PolarHBondContact O-N 3.42Å; T453-S456 PolarHBondContact O-N 3.42Å; L454-S456 VanDerWaalsContact C-N 3.35Å; L454-S456 PolarHBondContact O-N 3.22Å; S456-R458 VanDerWaalsContact C-N 3.34Å
457	L	96.2	Very high	91.6	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-37	178.2	-178.9	57.5	0	0	0	111.9	I372 Q378 K381 E382 A385 L403 T453 L454 Q459 L465	I372-L457 HydrophobicContact CG2-CB 3.97Å; I372-L457 HydrophobicContact CG2-CD1 4.36Å; Q378-L457 PolarHBondContact NE2-O 3.4Å; Q378-L457 PolarHBondContact OE1-O 3.4Å; K381-L457 HydrophobicContact CB-CD1 3.77Å; E382-L457 HydrophobicContact CG-CD1 4.26Å; A385-L457 HydrophobicContact CB-CD1 3.75Å; A385-L457 HydrophobicContact CB-CD2 3.63Å; A385-L457 HydrophobicContact CB-CG 4.37Å; L403-L457 HydrophobicContact CD1-CD2 3.9Å; T453-L457 WeakPolarHBondContact O-CB 3.26Å; T453-L457 PolarHBondContact O-N 3.32Å; L454-L457 HydrophobicContact CD2-CD2 4.48Å; L454-L457 PolarHBondContact O-N 2.94Å; L457-Q459 PolarHBondContact O-N 3.35Å; L457-L465 HydrophobicContact CB-CD1 4.47Å; L457-L465 HydrophobicContact CD2-CD1 3.9Å; L457-L465 HydrophobicContact CD2-CD2 4.03Å; L457-L465 HydrophobicContact CG-CD1 3.89Å
458	R	94.4	Very high	91.9	Very high	177 Å²	177	45.9 Å²	45.9	67%	0.668	22%	0.223	S	C	*	.			trans	63.5	-58.4	179	-60.7	179.4	177	-176.2	-1.1	115.5	L454 L455 S456 L465	L454-R458 PolarHBondContact O-N 2.99Å; L455-R458 WeakPolarHBondContact O-CG 3.48Å; S456-R458 VanDerWaalsContact C-N 3.34Å; R458-L465 PolarHBondContact O-N 3.37Å
459	Q	96.4	Very high	92.4	Very high	62 Å²	62	42.5 Å²	42.5	29%	0.29	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158.9	-179.6	64.3	167.1	36.8	0	0	110.7	Q378 E382 L457 K463 L465	Q378-Q459 HydrophobicContact CG-CG 4.15Å; Q378-Q459 PolarHBondContact NE2-O 3.29Å; E382-Q459 PolarHBondContact OE1-NE2 2.83Å; E382-Q459 VanDerWaalsContact OE1-NE2 3.15Å; L457-Q459 PolarHBondContact O-N 3.35Å; Q459-K463 CarbonylContact C-O 3.6Å; Q459-K463 WeakPolarHBondContact CA-O 3.48Å; Q459-K463 WeakPolarHBondContact CB-O 3.5Å; Q459-L465 VanDerWaalsContact CA-CD1 3.45Å
460	F	97.5	Very high	92.6	Very high	6 Å²	6	42 Å²	42	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	127.5	170.6	-178.2	-91.8	0	0	0	109.2	E382 A385 K386 L403 I417 R462 K463 L465	E382-F460 HydrophobicContact CB-CD2 4.39Å; E382-F460 HydrophobicContact CG-CD2 4.32Å; A385-F460 HydrophobicContact CB-CD2 3.96Å; A385-F460 HydrophobicContact CB-CE2 4.08Å; K386-F460 HydrophobicContact CG-CE2 3.95Å; K386-F460 HydrophobicContact CG-CZ 4Å; L403-F460 HydrophobicContact CB-CD1 3.83Å; L403-F460 HydrophobicContact CB-CD2 4.28Å; L403-F460 HydrophobicContact CB-CE1 3.63Å; L403-F460 HydrophobicContact CB-CE2 4.1Å; L403-F460 HydrophobicContact CB-CG 4.15Å; L403-F460 HydrophobicContact CB-CZ 3.77Å; L403-F460 HydrophobicContact CD1-CB 4.46Å; L403-F460 HydrophobicContact CD1-CD2 3.76Å; L403-F460 HydrophobicContact CD1-CE2 4.06Å; L403-F460 HydrophobicContact CD1-CG 4.01Å; I417-F460 HydrophobicContact CD1-CB 4.08Å; I417-F460 HydrophobicContact CD1-CD1 4.33Å; F460-R462 PolarHBondContact O-N 2.78Å; F460-K463 PolarHBondContact N-O 3.15Å; F460-K463 WeakPolarHBondContact O-CB 3.22Å; F460-K463 PolarHBondContact O-N 3.3Å; F460-L465 HydrophobicContact CB-CD1 4.06Å
461	D	95.3	Very high	92.6	Very high	70 Å²	70	43 Å²	43	37%	0.374	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	41.2	-177.8	-158.8	14.9	0	0	0	113	E382 R404 K463	E382-D461 PolarHBondContact OE2-N 2.94Å; R404-D461 IonicContact CZ-OD2 2.63Å; R404-D461 IonicContact NH1-OD2 3.33Å; R404-D461 PolarHBondContact NH1-OD2 3.11Å; D461-K463 PolarHBondContact O-N 3.42Å
462	R	94.2	Very high	92.7	Very high	218 Å²	218	43 Å²	43	82%	0.823	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	22.2	-176	-48.5	175.2	-178.7	176.4	-0.4	114.4	F460	F460-R462 PolarHBondContact O-N 2.78Å
463	K	96.4	Very high	92.5	Very high	60 Å²	60	41.1 Å²	41.1	26%	0.261	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.1	172.8	-52	-62.4	-175.6	166.1	0	109.6	M410 Q414 R415 I417 Q459 F460 D461	M410-K463 HydrophobicContact CE-CD 3.98Å; M410-K463 HydrophobicContact CE-CG 4.13Å; M410-K463 HydrophobicContact SD-CD 4.29Å; M410-K463 HydrophobicContact SD-CG 4.01Å; Q414-K463 PolarHBondContact O-NZ 2.98Å; R415-K463 VanDerWaalsContact O-CA 3.26Å; R415-K463 WeakPolarHBondContact O-CA 3.48Å; R415-K463 WeakPolarHBondContact O-CB 3.18Å; I417-K463 HydrophobicContact CD1-CB 4.06Å; I417-K463 HydrophobicContact CG1-CB 3.92Å; Q459-K463 CarbonylContact C-O 3.6Å; Q459-K463 WeakPolarHBondContact CA-O 3.48Å; Q459-K463 WeakPolarHBondContact CB-O 3.5Å; F460-K463 PolarHBondContact N-O 3.15Å; F460-K463 WeakPolarHBondContact O-CB 3.22Å; F460-K463 PolarHBondContact O-N 3.3Å; D461-K463 PolarHBondContact O-N 3.42Å
464	D	96.2	Very high	92.1	Very high	79 Å²	79	48 Å²	48	42%	0.422	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	135.5	-179.5	-67.1	-39.8	0	0	0	110.4	R415 E416 I417 V466	R415-D464 PolarHBondContact O-N 2.97Å; E416-D464 CarbonylContact C-O 3.56Å; E416-D464 VanDerWaalsContact CA-O 3.24Å; E416-D464 WeakPolarHBondContact CA-O 3.22Å; I417-D464 PolarHBondContact N-O 2.77Å; D464-V466 HydrophobicContact CB-CG2 4.07Å
465	L	95.9	Very high	91.1	Very high	18 Å²	18	49.5 Å²	49.5	9%	0.094	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	119.8	169.8	-70.2	98.4	0	0	0	108.9	L403 I417 Y419 L454 L457 R458 Q459 F460	L403-L465 HydrophobicContact CD2-CD2 4.47Å; I417-L465 HydrophobicContact CB-CG 4.37Å; Y419-L465 HydrophobicContact CD1-CB 4.45Å; Y419-L465 HydrophobicContact CE1-CB 4.15Å; L454-L465 HydrophobicContact CB-CD2 4.1Å; L454-L465 HydrophobicContact CD2-CD2 3.47Å; L454-L465 VanDerWaalsContact CD2-CD2 3.47Å; L454-L465 HydrophobicContact CG-CD2 4.19Å; L457-L465 HydrophobicContact CB-CD1 4.47Å; L457-L465 HydrophobicContact CD2-CD1 3.9Å; L457-L465 HydrophobicContact CD2-CD2 4.03Å; L457-L465 HydrophobicContact CG-CD1 3.89Å; R458-L465 PolarHBondContact O-N 3.37Å; Q459-L465 VanDerWaalsContact CA-CD1 3.45Å; F460-L465 HydrophobicContact CB-CD1 4.06Å
466	V	93.5	Very high	89.8	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.2	-174.8	-175.9	0	0	0	0	109.2	E416 I417 Y418 Y419 D464 N470 F471	E416-V466 HydrophobicContact CB-CG2 4.14Å; E416-V466 HydrophobicContact CG-CG2 4.1Å; I417-V466 PolarHBondContact O-N 2.89Å; Y418-V466 WeakPolarHBondContact CA-O 3.33Å; Y418-V466 HydrophobicContact CD1-CB 4.37Å; Y418-V466 HydrophobicContact CE1-CB 4.41Å; Y419-V466 VanDerWaalsContact CE1-C 3.41Å; Y419-V466 PolarHBondContact N-O 3.47Å; D464-V466 HydrophobicContact CB-CG2 4.07Å; V466-N470 HydrophobicContact CG1-CB 4.07Å; V466-F471 HydrophobicContact CG1-CB 4.13Å
467	S	92.4	Very high	87.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	145.9	172.5	92.5	0	0	0	0	109.8	Y419 E469 N470 F471	Y419-S467 VanDerWaalsContact CE1-N 3.27Å; Y419-S467 WeakPolarHBondContact O-CA 3.19Å; S467-E469 WeakPolarHBondContact CB-OE2 3.39Å; S467-E469 PolarHBondContact O-N 3.44Å; S467-E469 PolarHBondContact OG-OE2 3.14Å; S467-N470 PolarHBondContact O-N 3.16Å; S467-N470 PolarHBondContact OG-N 3.07Å; S467-F471 PolarHBondContact O-N 2.7Å
468	V	91.7	Very high	85.6	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.1	-36.5	179.1	173.3	0	0	0	0	111	Y419 L420 Y431 I435 I442 N470 F471 L472	Y419-V468 PolarHBondContact O-N 2.98Å; L420-V468 HydrophobicContact CB-CG2 4.41Å; L420-V468 HydrophobicContact CD1-CB 4.4Å; Y431-V468 WeakPolarHBondContact O-CG1 3.47Å; I435-V468 HydrophobicContact CB-CG1 4.09Å; I435-V468 HydrophobicContact CD1-CG1 3.98Å; I435-V468 HydrophobicContact CD1-CG2 4.27Å; I435-V468 HydrophobicContact CG2-CG1 3.79Å; I435-V468 HydrophobicContact CG2-CG2 4.48Å; I442-V468 HydrophobicContact CD1-CG2 4.11Å; I442-V468 HydrophobicContact CG1-CG2 4.18Å; I442-V468 HydrophobicContact CG2-CG2 4.11Å; V468-N470 PolarHBondContact O-N 3.12Å; V468-F471 PolarHBondContact O-N 2.89Å; V468-L472 HydrophobicContact CG1-CD1 3.97Å; V468-L472 HydrophobicContact CG1-CG 4.36Å; V468-L472 VanDerWaalsContact O-CG 3.31Å; V468-L472 WeakPolarHBondContact O-CG 3.18Å; V468-L472 PolarHBondContact O-N 2.59Å
469	E	88.8	Confident	83.4	Confident	7 Å²	7	56.1 Å²	56.1	3%	0.033	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-39.2	178.6	-49	101.1	139	0	0	112.1	L420 Y431 S467 N473 L538 R542	L420-E469 VanDerWaalsContact CD1-CD 3.45Å; L420-E469 HydrophobicContact CD1-CG 4.26Å; L420-E469 VanDerWaalsContact CD1-OE1 3.29Å; L420-E469 WeakPolarHBondContact CD1-OE1 3.37Å; Y431-E469 HydrophobicContact CD1-CB 4.16Å; Y431-E469 HydrophobicContact CD1-CG 3.59Å; Y431-E469 HydrophobicContact CD2-CG 3.76Å; Y431-E469 HydrophobicContact CE1-CB 4.24Å; Y431-E469 HydrophobicContact CE1-CG 3.8Å; Y431-E469 HydrophobicContact CE2-CG 4.02Å; Y431-E469 HydrophobicContact CG-CG 3.61Å; S467-E469 WeakPolarHBondContact CB-OE2 3.39Å; S467-E469 PolarHBondContact O-N 3.44Å; S467-E469 PolarHBondContact OG-OE2 3.14Å; E469-N473 PolarHBondContact O-N 2.74Å; E469-N473 VanDerWaalsContact O-N 3.11Å; E469-L538 HydrophobicContact CB-CB 4.37Å; E469-L538 HydrophobicContact CB-CD2 3.98Å; E469-L538 HydrophobicContact CG-CD2 3.83Å; E469-R542 IonicContact OE1-CZ 3.04Å; E469-R542 IonicContact OE1-NH1 3.35Å; E469-R542 PolarHBondContact OE1-NH1 3.13Å; E469-R542 IonicContact OE1-NH2 2.8Å; E469-R542 PolarHBondContact OE1-NH2 3.16Å
470	N	88.4	Confident	81.2	Confident	23 Å²	23	57.5 Å²	57.5	12%	0.123	27%	0.274	C	S	.	.	H	α-helix	trans	-69.9	-38.1	175.7	-79.7	-21	0	0	0	112.3	V466 S467 V468 N473 R474 E537	V466-N470 HydrophobicContact CG1-CB 4.07Å; S467-N470 PolarHBondContact O-N 3.16Å; S467-N470 PolarHBondContact OG-N 3.07Å; V468-N470 PolarHBondContact O-N 3.12Å; N470-N473 PolarHBondContact O-N 3.29Å; N470-R474 WeakPolarHBondContact O-CG 3.23Å; N470-R474 PolarHBondContact O-N 3.39Å; N470-E537 WeakPolarHBondContact OD1-CA 3.47Å; N470-E537 PolarHBondContact OD1-N 3.36Å
471	F	89	Confident	79.1	Confident	33 Å²	33	64.4 Å²	64.4	15%	0.145	32%	0.316	C	S	.	.	H	α-helix	trans	-58.7	-49.5	173.9	171.4	-96.4	0	0	0	110.8	Y418 I435 F440 V466 S467 V468 N473 R474 D475	Y418-F471 HydrophobicContact CD1-CB 4.31Å; Y418-F471 HydrophobicContact CD1-CG 4.47Å; Y418-F471 HydrophobicContact CE1-CB 3.99Å; Y418-F471 AromaticContact CE1-CD2 3.53Å; Y418-F471 HydrophobicContact CE1-CD2 3.53Å; Y418-F471 HydrophobicContact CE1-CE2 4.21Å; Y418-F471 AromaticContact CE1-CG 3.84Å; Y418-F471 HydrophobicContact CE1-CG 3.84Å; Y418-F471 AromaticContact CZ-CD2 3.87Å; I435-F471 HydrophobicContact CD1-CD1 3.6Å; I435-F471 HydrophobicContact CD1-CE1 3.83Å; I435-F471 HydrophobicContact CD1-CG 4.36Å; I435-F471 HydrophobicContact CG1-CD1 4.46Å; I435-F471 HydrophobicContact CG1-CE1 4.29Å; F440-F471 HydrophobicContact CE2-CZ 4.1Å; V466-F471 HydrophobicContact CG1-CB 4.13Å; S467-F471 PolarHBondContact O-N 2.7Å; V468-F471 PolarHBondContact O-N 2.89Å; F471-N473 VanDerWaalsContact C-N 3.27Å; F471-N473 PolarHBondContact O-N 2.74Å; F471-R474 PolarHBondContact O-N 2.78Å; F471-R474 VanDerWaalsContact O-N 3.17Å; F471-D475 PolarHBondContact O-N 3.09Å
472	L	86.4	Confident	77.5	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-30.2	179.4	-66.5	171.3	0	0	0	113.3	Y431 A434 V468 F510 K525 M532	Y431-L472 HydrophobicContact CD1-CD1 4.13Å; A434-L472 HydrophobicContact CB-CD1 3.78Å; A434-L472 HydrophobicContact CB-CD2 3.83Å; A434-L472 HydrophobicContact CB-CG 4.49Å; V468-L472 HydrophobicContact CG1-CD1 3.97Å; V468-L472 HydrophobicContact CG1-CG 4.36Å; V468-L472 VanDerWaalsContact O-CG 3.31Å; V468-L472 WeakPolarHBondContact O-CG 3.18Å; V468-L472 PolarHBondContact O-N 2.59Å; L472-F510 HydrophobicContact CD2-CE1 3.91Å; L472-F510 HydrophobicContact CD2-CZ 3.94Å; L472-K525 PolarHBondContact O-NZ 2.63Å; L472-M532 HydrophobicContact CD1-CE 4.09Å
473	N	83.2	Confident	76.4	Confident	19 Å²	19	59.7 Å²	59.7	10%	0.102	30%	0.304	C	S	.	.	H	α-helix	trans	-72.4	-30.8	176.8	-167.1	-85	0	0	0	113.1	E469 N470 F471 D475	E469-N473 PolarHBondContact O-N 2.74Å; E469-N473 VanDerWaalsContact O-N 3.11Å; N470-N473 PolarHBondContact O-N 3.29Å; F471-N473 VanDerWaalsContact C-N 3.27Å; F471-N473 PolarHBondContact O-N 2.74Å; N473-D475 VanDerWaalsContact C-N 3.34Å
474	R	82.4	Confident	75.3	Confident	147 Å²	147	61.9 Å²	61.9	56%	0.555	32%	0.322	S	S	*	.	H	α-helix	trans	-71	-30.7	177.5	-69.3	170.8	-172.5	179.5	1.9	112	E416 N470 F471 K476	E416-R474 IonicContact OE1-NH1 3.64Å; E416-R474 PolarHBondContact OE1-NH1 3.36Å; N470-R474 WeakPolarHBondContact O-CG 3.23Å; N470-R474 PolarHBondContact O-N 3.39Å; F471-R474 PolarHBondContact O-N 2.78Å; F471-R474 VanDerWaalsContact O-N 3.17Å; R474-K476 PolarHBondContact O-N 3.31Å
475	D	73.2	Confident	74.4	Confident	32 Å²	32	62.7 Å²	62.7	17%	0.171	33%	0.327	C	S	.	.			trans	-76.8	77.2	173.1	-157.7	-28.2	0	0	0	109.8	F471 N473 S477 F510 Q511 K525	F471-D475 PolarHBondContact O-N 3.09Å; N473-D475 VanDerWaalsContact C-N 3.34Å; D475-S477 PolarHBondContact O-N 3.31Å; D475-F510 VanDerWaalsContact OD2-CD1 3.27Å; D475-F510 WeakPolarHBondContact OD2-CD1 3.32Å; D475-Q511 VanDerWaalsContact OD1-CB 3.3Å; D475-Q511 WeakPolarHBondContact OD1-CB 3.45Å; D475-Q511 PolarHBondContact OD1-N 3.05Å; D475-K525 PolarHBondContact O-NZ 3.26Å
476	K	61.7	Low	73.8	Confident	117 Å²	117	63.2 Å²	63.2	51%	0.509	33%	0.33	S	S	.	.			trans	-82.8	103.3	174.3	-66.4	-172.3	-179.7	-174.5	0	108.4	R474 D478 Q511	R474-K476 PolarHBondContact O-N 3.31Å; K476-D478 PolarHBondContact O-N 3.48Å; K476-Q511 PolarHBondContact O-OE1 2.93Å; K476-Q511 VanDerWaalsContact O-OE1 3.1Å
477	S	53.1	Low	73.4	Confident	30 Å²	30	69 Å²	69	21%	0.21	35%	0.354	C	S	.	.			trans	-59.9	101.8	162.3	58.5	0	0	0	0	108.5	D475 T479	D475-S477 PolarHBondContact O-N 3.31Å; S477-T479 PolarHBondContact O-N 2.97Å
478	D	47.4	Very low	73.1	Confident	130 Å²	130	73.2 Å²	73.2	70%	0.695	38%	0.377	S	S	*	.			trans	-62.1	121.8	161.2	-84.1	-28.3	0	0	0	107.1	K476 E480	K476-D478 PolarHBondContact O-N 3.48Å; D478-E480 PolarHBondContact O-N 3.49Å; D478-E480 VanDerWaalsContact O-N 3.1Å
479	T	48.8	Very low	72.9	Confident	125 Å²	125	73.4 Å²	73.4	77%	0.767	38%	0.378	S	S	*	.			trans	-36.1	107.1	-173.8	38.1	0	0	0	0	113.4	S477	S477-T479 PolarHBondContact O-N 2.97Å
480	E	49.4	Very low	72.8	Confident	91 Å²	91	74 Å²	74	43%	0.425	38%	0.381	S	S	.	.			trans	-56.9	159.5	153.4	-77.7	-171.3	144.5	0	0	109.3	D478 V482 T522	D478-E480 PolarHBondContact O-N 3.49Å; D478-E480 VanDerWaalsContact O-N 3.1Å; E480-V482 WeakPolarHBondContact O-CG2 3.37Å; E480-V482 PolarHBondContact O-N 3.35Å; E480-T522 HydrophobicContact CG-CG2 4.29Å; E480-T522 VanDerWaalsContact OE1-CG2 3.28Å; E480-T522 WeakPolarHBondContact OE1-CG2 3.37Å; E480-T522 VanDerWaalsContact OE2-CG2 3.25Å; E480-T522 WeakPolarHBondContact OE2-CG2 3.27Å; E480-T522 PolarHBondContact OE2-OG1 3.3Å
481	V	53.3	Low	72.8	Confident	150 Å²	150	76.7 Å²	76.7	91%	0.909	40%	0.396	S	S	*	.			trans	-61	90.5	172.2	-178.9	0	0	0	0	108.2	E483	V481-E483 PolarHBondContact O-N 2.88Å
482	V	62.7	Low	72.9	Confident	44 Å²	44	77.8 Å²	77.8	27%	0.267	40%	0.399	S	S	.	.			trans	-64	124.5	175.1	-178.2	0	0	0	0	107.1	E480 T484 L486 K487 L490 V507	E480-V482 WeakPolarHBondContact O-CG2 3.37Å; E480-V482 PolarHBondContact O-N 3.35Å; V482-T484 PolarHBondContact O-N 3.15Å; V482-L486 HydrophobicContact CG1-CB 3.59Å; V482-L486 HydrophobicContact CG1-CD2 3.7Å; V482-L486 HydrophobicContact CG1-CG 3.47Å; V482-L486 VanDerWaalsContact CG1-CG 3.47Å; V482-K487 HydrophobicContact CG1-CB 4.31Å; V482-L490 HydrophobicContact CG1-CD1 4.39Å; V482-V507 HydrophobicContact CG2-CG2 4.27Å
483	E	69.6	Low	73.1	Confident	145 Å²	145	77.9 Å²	77.9	68%	0.678	40%	0.399	S	S	*	.			trans	-48.8	139.3	175.3	-67.2	-177.2	175	0	0	110.6	V481 N485 L486 K487	V481-E483 PolarHBondContact O-N 2.88Å; E483-N485 PolarHBondContact O-N 3.31Å; E483-L486 WeakPolarHBondContact O-CA 3.23Å; E483-L486 PolarHBondContact O-N 2.87Å; E483-K487 PolarHBondContact O-N 2.97Å
484	T	73.9	Confident	73.4	Confident	106 Å²	106	80.4 Å²	80.4	65%	0.65	41%	0.41	S	S	*	.	H	α-helix	trans	-50.8	-37	-175.7	-47.3	0	0	0	0	112.7	V482 K487 N488	V482-T484 PolarHBondContact O-N 3.15Å; T484-K487 PolarHBondContact O-N 3.29Å; T484-N488 PolarHBondContact O-N 3.07Å; T484-N488 PolarHBondContact O-ND2 3.31Å
485	N	77.8	Confident	73.7	Confident	96 Å²	96	78.9 Å²	78.9	51%	0.513	42%	0.417	S	S	.	.	H	α-helix	trans	-64.7	-42.2	176.6	-73.8	-26.9	0	0	0	112.9	E483 L489	E483-N485 PolarHBondContact O-N 3.31Å; N485-L489 PolarHBondContact O-N 3.02Å; N485-L489 VanDerWaalsContact O-N 3.16Å
486	L	83.2	Confident	74.5	Confident	30 Å²	30	79 Å²	79	16%	0.157	42%	0.419	C	S	.	.	H	α-helix	trans	-71.1	-38.6	177.8	178.9	56.1	0	0	0	110.5	V482 E483 N488 L489 L490 V507 P570	V482-L486 HydrophobicContact CG1-CB 3.59Å; V482-L486 HydrophobicContact CG1-CD2 3.7Å; V482-L486 HydrophobicContact CG1-CG 3.47Å; V482-L486 VanDerWaalsContact CG1-CG 3.47Å; E483-L486 WeakPolarHBondContact O-CA 3.23Å; E483-L486 PolarHBondContact O-N 2.87Å; L486-N488 PolarHBondContact O-N 3.26Å; L486-L489 HydrophobicContact CD1-CD2 4.11Å; L486-L489 WeakPolarHBondContact O-CB 3.47Å; L486-L489 PolarHBondContact O-N 3.01Å; L486-L490 HydrophobicContact CD1-CD1 4.48Å; L486-L490 HydrophobicContact CD1-CD2 4.31Å; L486-L490 HydrophobicContact CD1-CG 4.19Å; L486-L490 HydrophobicContact CG-CD1 4.31Å; L486-L490 HydrophobicContact CG-CG 4.46Å; L486-L490 VanDerWaalsContact O-CG 3.29Å; L486-L490 WeakPolarHBondContact O-CG 3.29Å; L486-L490 PolarHBondContact O-N 3.43Å; L486-V507 HydrophobicContact CD2-CG2 3.9Å; L486-V507 HydrophobicContact CG-CG2 4.42Å; L486-P570 HydrophobicContact CD1-CB 3.9Å; L486-P570 HydrophobicContact CD2-CB 3.72Å; L486-P570 HydrophobicContact CD2-CG 4.26Å
487	K	84.6	Confident	75.7	Confident	123 Å²	123	73.9 Å²	73.9	54%	0.535	40%	0.397	S	S	.	.	H	α-helix	trans	-58.3	-47.6	173.7	-172.6	178.3	179.5	-179.6	0	111.9	V482 E483 T484 L489 L490 D491	V482-K487 HydrophobicContact CG1-CB 4.31Å; E483-K487 PolarHBondContact O-N 2.97Å; T484-K487 PolarHBondContact O-N 3.29Å; K487-L489 VanDerWaalsContact C-N 3.29Å; K487-L489 PolarHBondContact O-N 3.49Å; K487-L490 PolarHBondContact O-N 2.87Å; K487-D491 WeakPolarHBondContact O-CB 3.43Å; K487-D491 PolarHBondContact O-N 2.92Å
488	N	86.4	Confident	77.3	Confident	89 Å²	89	73.7 Å²	73.7	48%	0.476	40%	0.4	S	S	.	.	H	α-helix	trans	-59	-39.5	176.6	-70.5	-17.5	0	0	0	112.6	T484 L486 W492	T484-N488 PolarHBondContact O-N 3.07Å; T484-N488 PolarHBondContact O-ND2 3.31Å; L486-N488 PolarHBondContact O-N 3.26Å; N488-W492 WeakPolarHBondContact O-CB 3.38Å; N488-W492 PolarHBondContact O-N 2.92Å
489	L	87	Confident	78.8	Confident	5 Å²	5	73.5 Å²	73.5	3%	0.026	40%	0.399	C	S	.	.	H	α-helix	trans	-63.5	-48.2	174.9	173.1	64.4	0	0	0	111.5	N485 L486 K487 W492 I493 I575 L578 N579 M582	N485-L489 PolarHBondContact O-N 3.02Å; N485-L489 VanDerWaalsContact O-N 3.16Å; L486-L489 HydrophobicContact CD1-CD2 4.11Å; L486-L489 WeakPolarHBondContact O-CB 3.47Å; L486-L489 PolarHBondContact O-N 3.01Å; K487-L489 VanDerWaalsContact C-N 3.29Å; K487-L489 PolarHBondContact O-N 3.49Å; L489-W492 PolarHBondContact O-N 3.49Å; L489-I493 HydrophobicContact CD1-CD1 4Å; L489-I493 HydrophobicContact CD1-CG1 4.27Å; L489-I493 HydrophobicContact CG-CD1 4Å; L489-I493 VanDerWaalsContact O-CG1 3.28Å; L489-I493 WeakPolarHBondContact O-CG1 3.25Å; L489-I493 PolarHBondContact O-N 3.44Å; L489-I575 HydrophobicContact CD2-CG2 3.75Å; L489-L578 HydrophobicContact CD1-CD2 4.14Å; L489-L578 HydrophobicContact CD1-CG 4.23Å; L489-N579 HydrophobicContact CD1-CB 4.37Å; L489-N579 HydrophobicContact CD2-CB 4.26Å; L489-M582 HydrophobicContact CD1-SD 3.34Å; L489-M582 WeakPolarHBondContact CD1-SD 3.32Å
490	L	88.3	Confident	80.1	Confident	18 Å²	18	75 Å²	75	9%	0.094	39%	0.39	C	S	.	.	H	α-helix	trans	-64.8	-42	-179.3	-61	175.1	0	0	0	112	V482 L486 K487 W492 I493 K494 I505 V507 V568	V482-L490 HydrophobicContact CG1-CD1 4.39Å; L486-L490 HydrophobicContact CD1-CD1 4.48Å; L486-L490 HydrophobicContact CD1-CD2 4.31Å; L486-L490 HydrophobicContact CD1-CG 4.19Å; L486-L490 HydrophobicContact CG-CD1 4.31Å; L486-L490 HydrophobicContact CG-CG 4.46Å; L486-L490 VanDerWaalsContact O-CG 3.29Å; L486-L490 WeakPolarHBondContact O-CG 3.29Å; L486-L490 PolarHBondContact O-N 3.43Å; K487-L490 PolarHBondContact O-N 2.87Å; L490-W492 VanDerWaalsContact C-N 3.33Å; L490-W492 PolarHBondContact O-N 3.26Å; L490-I493 PolarHBondContact O-N 2.92Å; L490-K494 PolarHBondContact O-N 2.63Å; L490-I505 HydrophobicContact CB-CG2 4.25Å; L490-I505 HydrophobicContact CD2-CG2 3.76Å; L490-I505 HydrophobicContact CG-CG2 4.48Å; L490-V507 HydrophobicContact CD1-CG2 3.78Å; L490-V568 HydrophobicContact CD2-CB 3.98Å; L490-V568 HydrophobicContact CD2-CG1 4.32Å; L490-V568 HydrophobicContact CD2-CG2 4.05Å
491	D	88.1	Confident	81.5	Confident	81 Å²	81	73.6 Å²	73.6	43%	0.433	38%	0.383	S	S	.	.	H	α-helix	trans	-63.2	-39.6	176.6	-72.5	-21.9	0	0	0	111.3	K487 K494 T495	K487-D491 WeakPolarHBondContact O-CB 3.43Å; K487-D491 PolarHBondContact O-N 2.92Å; D491-K494 PolarHBondContact O-N 3.17Å; D491-T495 PolarHBondContact O-N 3.06Å; D491-T495 PolarHBondContact O-OG1 2.98Å
492	W	90.4	Very high	82.8	Confident	56 Å²	56	66.5 Å²	66.5	21%	0.212	34%	0.34	C	S	.	.	H	α-helix	trans	-65.7	-46.5	174.4	178.3	83.4	0	0	0	112.2	N488 L489 L490 K494 T495 T496 L578 M582 A589 V590 V593	N488-W492 WeakPolarHBondContact O-CB 3.38Å; N488-W492 PolarHBondContact O-N 2.92Å; L489-W492 PolarHBondContact O-N 3.49Å; L490-W492 VanDerWaalsContact C-N 3.33Å; L490-W492 PolarHBondContact O-N 3.26Å; W492-K494 VanDerWaalsContact C-N 3.26Å; W492-K494 PolarHBondContact O-N 3.17Å; W492-T495 WeakPolarHBondContact O-CB 3.34Å; W492-T495 PolarHBondContact O-N 3.2Å; W492-T495 VanDerWaalsContact O-N 3.12Å; W492-T496 PolarHBondContact O-N 3.2Å; W492-T496 PolarHBondContact O-OG1 3.2Å; W492-T496 VanDerWaalsContact O-OG1 3.09Å; W492-L578 HydrophobicContact CH2-CD1 4.3Å; W492-L578 HydrophobicContact CZ3-CD1 4.05Å; W492-L578 HydrophobicContact CZ3-CD2 4.21Å; W492-L578 HydrophobicContact CZ3-CG 4.12Å; W492-M582 HydrophobicContact CB-CE 3.37Å; W492-M582 HydrophobicContact CB-SD 4.26Å; W492-M582 HydrophobicContact CD2-CE 3.51Å; W492-M582 HydrophobicContact CD2-CG 3.7Å; W492-M582 HydrophobicContact CD2-SD 3.63Å; W492-M582 HydrophobicContact CE3-CE 3.87Å; W492-M582 HydrophobicContact CE3-CG 3.53Å; W492-M582 HydrophobicContact CE3-SD 3.32Å; W492-M582 HydrophobicContact CG-CE 3.25Å; W492-M582 HydrophobicContact CG-CG 4.45Å; W492-M582 HydrophobicContact CG-SD 4.03Å; W492-M582 HydrophobicContact CH2-CG 3.78Å; W492-M582 HydrophobicContact CZ2-CG 3.93Å; W492-M582 HydrophobicContact CZ3-CG 3.53Å; W492-M582 HydrophobicContact CZ3-SD 3.86Å; W492-A589 HydrophobicContact CH2-CB 3.61Å; W492-A589 HydrophobicContact CZ2-CB 4.05Å; W492-V590 HydrophobicContact CH2-CG2 4.47Å; W492-V590 HydrophobicContact CZ2-CG2 3.95Å; W492-V593 HydrophobicContact CE3-CG2 4.41Å; W492-V593 HydrophobicContact CH2-CG2 3.82Å; W492-V593 HydrophobicContact CZ3-CG2 3.41Å; W492-V593 VanDerWaalsContact CZ3-CG2 3.41Å
493	I	89.9	Confident	83.8	Confident	1 Å²	1	68 Å²	68	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-56.8	-43.3	175.8	-66.7	167.9	0	0	0	110.2	L489 L490 T495 T496 L497 I505 L566 L578 V593	L489-I493 HydrophobicContact CD1-CD1 4Å; L489-I493 HydrophobicContact CD1-CG1 4.27Å; L489-I493 HydrophobicContact CG-CD1 4Å; L489-I493 VanDerWaalsContact O-CG1 3.28Å; L489-I493 WeakPolarHBondContact O-CG1 3.25Å; L489-I493 PolarHBondContact O-N 3.44Å; L490-I493 PolarHBondContact O-N 2.92Å; I493-T495 VanDerWaalsContact C-N 3.34Å; I493-T495 PolarHBondContact O-N 2.83Å; I493-T496 PolarHBondContact O-N 2.8Å; I493-L497 HydrophobicContact CG2-CD1 3.8Å; I493-L497 HydrophobicContact CG2-CG 4.35Å; I493-L497 WeakPolarHBondContact O-CG 3.47Å; I493-L497 PolarHBondContact O-N 2.64Å; I493-I505 HydrophobicContact CB-CD1 3.96Å; I493-I505 HydrophobicContact CG2-CD1 3.53Å; I493-L566 HydrophobicContact CG2-CD2 3.99Å; I493-L578 HydrophobicContact CD1-CD2 4.21Å; I493-L578 HydrophobicContact CG1-CD2 4.38Å; I493-V593 HydrophobicContact CG1-CG2 4.18Å; I493-V593 HydrophobicContact CG2-CG1 4.01Å
494	K	89.3	Confident	84.5	Confident	72 Å²	72	64.6 Å²	64.6	31%	0.313	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-44.2	178.2	-167.8	176.8	-179.6	-178.1	0	111.5	L490 D491 W492 G498 D499 I505	L490-K494 PolarHBondContact O-N 2.63Å; D491-K494 PolarHBondContact O-N 3.17Å; W492-K494 VanDerWaalsContact C-N 3.26Å; W492-K494 PolarHBondContact O-N 3.17Å; K494-G498 PolarHBondContact O-N 3.44Å; K494-D499 VanDerWaalsContact CE-OD1 3.32Å; K494-D499 WeakPolarHBondContact CE-OD1 3.17Å; K494-I505 VanDerWaalsContact CA-CD1 3.45Å; K494-I505 HydrophobicContact CB-CD1 3.64Å; K494-I505 HydrophobicContact CB-CG1 4.15Å; K494-I505 HydrophobicContact CG-CD1 4.27Å; K494-I505 HydrophobicContact CG-CG1 4.36Å; K494-I505 VanDerWaalsContact N-CD1 3.34Å
495	T	90.2	Very high	85	Confident	115 Å²	115	60.7 Å²	60.7	71%	0.706	31%	0.305	S	S	*	.	H	α-helix	trans	-64.4	-42.7	178.1	-55.2	0	0	0	0	111.5	D491 W492 I493	D491-T495 PolarHBondContact O-N 3.06Å; D491-T495 PolarHBondContact O-OG1 2.98Å; W492-T495 WeakPolarHBondContact O-CB 3.34Å; W492-T495 PolarHBondContact O-N 3.2Å; W492-T495 VanDerWaalsContact O-N 3.12Å; I493-T495 VanDerWaalsContact C-N 3.34Å; I493-T495 PolarHBondContact O-N 2.83Å
496	T	88.8	Confident	85.3	Confident	36 Å²	36	57.4 Å²	57.4	22%	0.221	29%	0.286	C	S	.	.	H	α-helix	trans	-65.5	-43.9	179.4	-62	0	0	0	0	112.6	W492 I493 V590 V593	W492-T496 PolarHBondContact O-N 3.2Å; W492-T496 PolarHBondContact O-OG1 3.2Å; W492-T496 VanDerWaalsContact O-OG1 3.09Å; I493-T496 PolarHBondContact O-N 2.8Å; T496-V590 HydrophobicContact CG2-CB 4.27Å; T496-V590 HydrophobicContact CG2-CG1 3.89Å; T496-V590 HydrophobicContact CG2-CG2 3.95Å; T496-V593 HydrophobicContact CG2-CB 4.48Å; T496-V593 HydrophobicContact CG2-CG1 4.13Å
497	L	88.1	Confident	85.2	Confident	8 Å²	8	56.5 Å²	56.5	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-77.3	-29.2	180	-66.7	176.7	0	0	0	112.7	I493 K501 V502 L566 V593 Y597	I493-L497 HydrophobicContact CG2-CD1 3.8Å; I493-L497 HydrophobicContact CG2-CG 4.35Å; I493-L497 WeakPolarHBondContact O-CG 3.47Å; I493-L497 PolarHBondContact O-N 2.64Å; L497-K501 WeakPolarHBondContact O-CD 3.49Å; L497-K501 WeakPolarHBondContact O-CG 3.4Å; L497-V502 HydrophobicContact CB-CG2 4.19Å; L497-V502 HydrophobicContact CD1-CG2 3.83Å; L497-L566 HydrophobicContact CD1-CD2 3.77Å; L497-V593 HydrophobicContact CD1-CG1 4.21Å; L497-V593 HydrophobicContact CD2-CG1 3.75Å; L497-V593 HydrophobicContact CG-CG1 3.79Å; L497-Y597 HydrophobicContact CD1-CD2 3.75Å; L497-Y597 HydrophobicContact CD1-CE2 4.44Å; L497-Y597 HydrophobicContact CD1-CG 3.95Å; L497-Y597 HydrophobicContact CD2-CD1 4.07Å; L497-Y597 HydrophobicContact CD2-CD2 4.44Å; L497-Y597 HydrophobicContact CD2-CG 3.83Å
498	G	85.6	Confident	84.8	Confident	26 Å²	26	50.7 Å²	50.7	27%	0.268	26%	0.256	S	S	.	.			trans	79.2	150.7	-179.7	0	0	0	0	0	114	K494 R500 K501 V502	K494-G498 PolarHBondContact O-N 3.44Å; G498-R500 PolarHBondContact O-N 3.36Å; G498-K501 PolarHBondContact O-N 2.93Å; G498-K501 VanDerWaalsContact O-N 3.08Å; G498-V502 PolarHBondContact O-N 3.26Å
499	D	79.3	Confident	84.2	Confident	126 Å²	126	48.2 Å²	48.2	67%	0.674	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.1	-174.6	-64.6	-43.1	0	0	0	114.2	K494	K494-D499 VanDerWaalsContact CE-OD1 3.32Å; K494-D499 WeakPolarHBondContact CE-OD1 3.17Å
500	R	75.9	Confident	83	Confident	158 Å²	158	48.1 Å²	48.1	60%	0.596	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-30.6	176	-67	-173.1	179.9	-178.3	0.8	112.9	G498 E556 M560	G498-R500 PolarHBondContact O-N 3.36Å; R500-E556 IonicContact NH1-OE2 3.18Å; R500-M560 HydrophobicContact CB-CG 4.24Å; R500-M560 HydrophobicContact CB-SD 4.33Å; R500-M560 HydrophobicContact CG-SD 4.05Å
501	K	80.2	Confident	81.4	Confident	61 Å²	61	51 Å²	51	27%	0.265	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-42	179.9	-67.2	-171.2	-175.8	175.5	0	110.9	L497 G498 P564 Y597	L497-K501 WeakPolarHBondContact O-CD 3.49Å; L497-K501 WeakPolarHBondContact O-CG 3.4Å; G498-K501 PolarHBondContact O-N 2.93Å; G498-K501 VanDerWaalsContact O-N 3.08Å; K501-P564 WeakPolarHBondContact O-CG 3.28Å; K501-Y597 HydrophobicContact CB-CE1 4.17Å; K501-Y597 HydrophobicContact CD-CE1 4.06Å; K501-Y597 PolarHBondContact O-OH 3.4Å
502	V	79.8	Confident	79.6	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	26%	0.255	C	S	.	.			trans	-128.8	124.7	-173.8	-177	0	0	0	0	111.1	L497 G498 E504 I505 L566 Y597	L497-V502 HydrophobicContact CB-CG2 4.19Å; L497-V502 HydrophobicContact CD1-CG2 3.83Å; G498-V502 PolarHBondContact O-N 3.26Å; V502-E504 WeakPolarHBondContact CG1-O 3.02Å; V502-I505 HydrophobicContact CG1-CD1 4.4Å; V502-I505 HydrophobicContact CG1-CG1 3.73Å; V502-L566 HydrophobicContact CG1-CB 4.01Å; V502-Y597 HydrophobicContact CG2-CD2 3.98Å; V502-Y597 HydrophobicContact CG2-CE2 3.34Å
503	N	83.7	Confident	77.1	Confident	75 Å²	75	51.3 Å²	51.3	40%	0.401	27%	0.267	S	S	.	.	S	Bend	trans	-77.8	-40	176.9	177.6	84.2	0	0	0	111.6	K563 P564	N503-K563 HydrophobicContact CB-CB 3.79Å; N503-K563 HydrophobicContact CB-CG 4.47Å; N503-P564 PolarHBondContact N-O 3.42Å
504	E	84.2	Confident	74.6	Confident	74 Å²	74	57.6 Å²	57.6	35%	0.346	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	145.6	-174.5	-168.1	-174.9	165.5	0	0	111	V502 R506 T565 L566	V502-E504 WeakPolarHBondContact CG1-O 3.02Å; E504-R506 HydrophobicContact CG-CG 4.13Å; E504-R506 IonicContact OE1-CZ 2.88Å; E504-R506 IonicContact OE1-NE 3.37Å; E504-R506 PolarHBondContact OE1-NE 3.24Å; E504-R506 IonicContact OE1-NH2 2.66Å; E504-R506 IonicContact OE2-CZ 3.77Å; E504-R506 IonicContact OE2-NE 3.67Å; E504-R506 PolarHBondContact OE2-NE 3.34Å; E504-R506 IonicContact OE2-NH2 3.95Å; E504-R506 PolarHBondContact OE2-NH2 3.36Å; E504-T565 HydrophobicContact CB-CG2 4.15Å; E504-T565 HydrophobicContact CG-CG2 4.49Å; E504-T565 CarbonylContact O-C 3.59Å; E504-T565 VanDerWaalsContact O-CA 3.26Å; E504-T565 WeakPolarHBondContact O-CA 3.25Å; E504-L566 PolarHBondContact O-N 3.41Å
505	I	84.3	Confident	71.9	Confident	23 Å²	23	57.5 Å²	57.5	12%	0.118	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.1	172.1	-56.7	-164.6	0	0	0	108.6	L490 I493 K494 V502 L566 V568	L490-I505 HydrophobicContact CB-CG2 4.25Å; L490-I505 HydrophobicContact CD2-CG2 3.76Å; L490-I505 HydrophobicContact CG-CG2 4.48Å; I493-I505 HydrophobicContact CB-CD1 3.96Å; I493-I505 HydrophobicContact CG2-CD1 3.53Å; K494-I505 VanDerWaalsContact CA-CD1 3.45Å; K494-I505 HydrophobicContact CB-CD1 3.64Å; K494-I505 HydrophobicContact CB-CG1 4.15Å; K494-I505 HydrophobicContact CG-CD1 4.27Å; K494-I505 HydrophobicContact CG-CG1 4.36Å; K494-I505 VanDerWaalsContact N-CD1 3.34Å; V502-I505 HydrophobicContact CG1-CD1 4.4Å; V502-I505 HydrophobicContact CG1-CG1 3.73Å; I505-L566 WeakPolarHBondContact CA-O 3.44Å; I505-L566 HydrophobicContact CD1-CD2 4.28Å; I505-L566 HydrophobicContact CG1-CB 4.26Å; I505-V568 HydrophobicContact CG2-CG2 3.87Å
506	R	83.8	Confident	69.5	Low	27 Å²	27	56.4 Å²	56.4	10%	0.102	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	164.7	-179.4	-40.3	-177.5	-174.1	146.8	14.9	111.3	E504 T565 L566 E567 V568	E504-R506 HydrophobicContact CG-CG 4.13Å; E504-R506 IonicContact OE1-CZ 2.88Å; E504-R506 IonicContact OE1-NE 3.37Å; E504-R506 PolarHBondContact OE1-NE 3.24Å; E504-R506 IonicContact OE1-NH2 2.66Å; E504-R506 IonicContact OE2-CZ 3.77Å; E504-R506 IonicContact OE2-NE 3.67Å; E504-R506 PolarHBondContact OE2-NE 3.34Å; E504-R506 IonicContact OE2-NH2 3.95Å; E504-R506 PolarHBondContact OE2-NH2 3.36Å; R506-T565 HydrophobicContact CG-CG2 3.67Å; R506-T565 PolarHBondContact NH2-OG1 3.01Å; R506-L566 PolarHBondContact N-O 2.91Å; R506-E567 HydrophobicContact CB-CG 4.49Å; R506-E567 CarbonylContact O-C 3.59Å; R506-E567 WeakPolarHBondContact O-CA 3.32Å; R506-V568 PolarHBondContact O-N 3.14Å
507	V	81.4	Confident	67	Low	12 Å²	12	58.4 Å²	58.4	7%	0.073	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	138.1	167.8	-171.9	0	0	0	0	109.5	V482 L486 L490 F509 P570	V482-V507 HydrophobicContact CG2-CG2 4.27Å; L486-V507 HydrophobicContact CD2-CG2 3.9Å; L486-V507 HydrophobicContact CG-CG2 4.42Å; L490-V507 HydrophobicContact CD1-CG2 3.78Å; V507-F509 VanDerWaalsContact C-N 3.34Å; V507-F509 HydrophobicContact CB-CD2 4.04Å; V507-F509 HydrophobicContact CB-CE2 4.15Å; V507-F509 HydrophobicContact CG1-CD1 4.47Å; V507-F509 HydrophobicContact CG1-CD2 3.43Å; V507-F509 VanDerWaalsContact CG1-CD2 3.43Å; V507-F509 HydrophobicContact CG1-CE1 4.3Å; V507-F509 HydrophobicContact CG1-CE2 3.23Å; V507-F509 HydrophobicContact CG1-CG 4.06Å; V507-F509 HydrophobicContact CG1-CZ 3.69Å; V507-F509 PolarHBondContact O-N 3.15Å; V507-P570 HydrophobicContact CG1-CG 3.65Å
508	S	76.3	Confident	64.7	Low	0 Å²	0	65.2 Å²	65.2	0%	0	37%	0.367	C	S	.	.			trans	-80.9	66.8	-176.4	61.8	0	0	0	0	113.6	K525 V568 N569	S508-K525 WeakPolarHBondContact O-CB 3.43Å; S508-K525 PolarHBondContact O-N 3.06Å; S508-V568 PolarHBondContact N-O 2.83Å; S508-V568 PolarHBondContact OG-O 2.99Å; S508-N569 WeakPolarHBondContact OG-CA 3.3Å
509	F	74.5	Confident	62.3	Low	38 Å²	38	70.8 Å²	70.8	17%	0.167	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	151.9	176.3	-63.9	-48.6	0	0	0	113.1	V507 T522 T523 Q524 K525 P570	V507-F509 VanDerWaalsContact C-N 3.34Å; V507-F509 HydrophobicContact CB-CD2 4.04Å; V507-F509 HydrophobicContact CB-CE2 4.15Å; V507-F509 HydrophobicContact CG1-CD1 4.47Å; V507-F509 HydrophobicContact CG1-CD2 3.43Å; V507-F509 VanDerWaalsContact CG1-CD2 3.43Å; V507-F509 HydrophobicContact CG1-CE1 4.3Å; V507-F509 HydrophobicContact CG1-CE2 3.23Å; V507-F509 HydrophobicContact CG1-CG 4.06Å; V507-F509 HydrophobicContact CG1-CZ 3.69Å; V507-F509 PolarHBondContact O-N 3.15Å; F509-T522 HydrophobicContact CB-CG2 4.47Å; F509-T523 CarbonylContact C-O 3.54Å; F509-T523 WeakPolarHBondContact CA-O 3.49Å; F509-Q524 HydrophobicContact CD1-CB 4.44Å; F509-Q524 HydrophobicContact CD1-CG 3.58Å; F509-Q524 HydrophobicContact CE1-CG 3.35Å; F509-K525 VanDerWaalsContact O-CE 3.23Å; F509-K525 WeakPolarHBondContact O-CE 3.37Å; F509-P570 HydrophobicContact CE1-CG 4.48Å; F509-P570 HydrophobicContact CZ-CG 4Å
510	F	61.7	Low	60.2	Low	3 Å²	3	67.9 Å²	67.9	1%	0.013	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	144.3	167	-77.5	-65.2	0	0	0	111.3	A434 L472 D475 T523 K525	A434-F510 WeakPolarHBondContact O-CE2 3.31Å; A434-F510 WeakPolarHBondContact O-CZ 3.37Å; L472-F510 HydrophobicContact CD2-CE1 3.91Å; L472-F510 HydrophobicContact CD2-CZ 3.94Å; D475-F510 VanDerWaalsContact OD2-CD1 3.27Å; D475-F510 WeakPolarHBondContact OD2-CD1 3.32Å; F510-T523 PolarHBondContact N-O 2.9Å; F510-K525 HydrophobicContact CD1-CG 4.17Å; F510-K525 HydrophobicContact CD2-CG 3.85Å; F510-K525 HydrophobicContact CE1-CG 4.1Å; F510-K525 HydrophobicContact CE2-CB 4.27Å; F510-K525 HydrophobicContact CE2-CG 3.76Å; F510-K525 HydrophobicContact CG-CG 4.06Å; F510-K525 HydrophobicContact CZ-CG 3.89Å
511	Q	54.5	Low	58.6	Low	77 Å²	77	67.6 Å²	67.6	36%	0.36	38%	0.38	S	S	.	.			trans	-77.7	-26	-172.2	-164.8	172.8	20.3	0	0	115.2	D475 K476	D475-Q511 VanDerWaalsContact OD1-CB 3.3Å; D475-Q511 WeakPolarHBondContact OD1-CB 3.45Å; D475-Q511 PolarHBondContact OD1-N 3.05Å; K476-Q511 PolarHBondContact O-OE1 2.93Å; K476-Q511 VanDerWaalsContact O-OE1 3.1Å
512	N	50.4	Low	57.3	Low	88 Å²	88	67.1 Å²	67.1	47%	0.471	38%	0.382	S	S	.	.			trans	-156.6	125.2	-170.6	-86.5	-50.7	0	0	0	115.9	C515	N512-C515 PolarHBondContact OD1-SG 3.24Å
513	A	37.4	Very low	56.2	Low	56 Å²	56	69.5 Å²	69.5	46%	0.463	40%	0.397	S	S	.	.	S	Bend	trans	-136.3	103	137.8	0	0	0	0	0	108.1
514	I	37.8	Very low	55.5	Low	134 Å²	134	67.6 Å²	67.6	69%	0.687	39%	0.385	S	S	*	.			trans	73.7	88	171.2	-44.2	169.2	0	0	0	114.8	S516	I514-S516 VanDerWaalsContact C-N 3.32Å; I514-S516 PolarHBondContact O-N 3.44Å
515	C	32.7	Very low	55.2	Low	70 Å²	70	64.2 Å²	64.2	47%	0.473	37%	0.369	S	S	.	.			trans	-84.6	80.3	158.6	-64.7	0	0	0	0	109	N512 G517 C520	N512-C515 PolarHBondContact OD1-SG 3.24Å; C515-G517 VanDerWaalsContact C-N 3.35Å; C515-G517 PolarHBondContact O-N 3.25Å; C515-C520 WeakPolarHBondContact CB-SG 3.49Å; C515-C520 WeakPolarHBondContact SG-CB 3.24Å; C515-C520 CovalentContact SG-SG 2.08Å; C515-C520 PolarHBondContact SG-SG 3.43Å
516	S	39.3	Very low	55.1	Low	91 Å²	91	63.1 Å²	63.1	64%	0.636	36%	0.364	S	S	*	.	B	Isolated β-bridge	trans	-85.7	81.7	163.3	59.4	0	0	0	0	108.7	I514 I518	I514-S516 VanDerWaalsContact C-N 3.32Å; I514-S516 PolarHBondContact O-N 3.44Å; S516-I518 PolarHBondContact O-N 2.93Å
517	G	36.2	Very low	55	Low	78 Å²	78	66.3 Å²	66.3	80%	0.804	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	-22.9	157.2	0	0	0	0	0	120.6	C515	C515-G517 VanDerWaalsContact C-N 3.35Å; C515-G517 PolarHBondContact O-N 3.25Å
518	I	40.5	Very low	55.2	Low	151 Å²	151	70 Å²	70	77%	0.774	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.6	-26.9	-173.1	-57.7	-177.5	0	0	0	113.7	S516	S516-I518 PolarHBondContact O-N 2.93Å
519	H	34.4	Very low	55.9	Low	143 Å²	143	73 Å²	73	66%	0.662	42%	0.421	S	S	*	.	B	Isolated β-bridge	trans	-138.4	121.4	176.8	-72.6	13	0	0	0	110
520	C	35.1	Very low	56.7	Low	66 Å²	66	72.3 Å²	72.3	45%	0.446	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-93.5	126.4	162.3	-57.6	0	0	0	0	106.7	C515	C515-C520 WeakPolarHBondContact CB-SG 3.49Å; C515-C520 WeakPolarHBondContact SG-CB 3.24Å; C515-C520 CovalentContact SG-SG 2.08Å; C515-C520 PolarHBondContact SG-SG 3.43Å
521	Q	43	Very low	58	Low	152 Å²	152	72.4 Å²	72.4	71%	0.71	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-92.1	116.8	174.8	-69.2	-176.6	-17.1	0	0	108.4
522	T	52.5	Low	59.8	Low	50 Å²	50	68.8 Å²	68.8	31%	0.307	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-84.2	128.2	173.1	41.7	0	0	0	0	110.8	E480 F509	E480-T522 HydrophobicContact CG-CG2 4.29Å; E480-T522 VanDerWaalsContact OE1-CG2 3.28Å; E480-T522 WeakPolarHBondContact OE1-CG2 3.37Å; E480-T522 VanDerWaalsContact OE2-CG2 3.25Å; E480-T522 WeakPolarHBondContact OE2-CG2 3.27Å; E480-T522 PolarHBondContact OE2-OG1 3.3Å; F509-T522 HydrophobicContact CB-CG2 4.47Å
523	T	57	Low	61.7	Low	52 Å²	52	64.6 Å²	64.6	32%	0.319	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.2	175.3	-50.6	0	0	0	0	109.8	E437 F509 F510	E437-T523 WeakPolarHBondContact OE2-CG2 3.35Å; F509-T523 CarbonylContact C-O 3.54Å; F509-T523 WeakPolarHBondContact CA-O 3.49Å; F510-T523 PolarHBondContact N-O 2.9Å
524	Q	69.6	Low	64	Low	34 Å²	34	62 Å²	62	16%	0.159	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	135.4	176.6	-77	179.8	-58.3	0	0	111.7	F509 N569 K571	F509-Q524 HydrophobicContact CD1-CB 4.44Å; F509-Q524 HydrophobicContact CD1-CG 3.58Å; F509-Q524 HydrophobicContact CE1-CG 3.35Å; Q524-N569 PolarHBondContact NE2-OD1 3.16Å; Q524-K571 VanDerWaalsContact CD-CE 3.44Å; Q524-K571 VanDerWaalsContact NE2-CE 3.28Å; Q524-K571 VanDerWaalsContact OE1-CE 3.25Å
525	K	77.7	Confident	66.3	Low	3 Å²	3	55.9 Å²	55.9	1%	0.013	33%	0.33	C	S	.	.	S	Bend	trans	-73.9	-30.6	169.3	-65.2	-177.7	-178.4	175.3	0	111.5	A434 L472 D475 S508 F509 F510 E567	A434-K525 WeakPolarHBondContact CA-O 3.4Å; A434-K525 HydrophobicContact CB-CB 3.98Å; A434-K525 WeakPolarHBondContact CB-O 3.37Å; L472-K525 PolarHBondContact O-NZ 2.63Å; D475-K525 PolarHBondContact O-NZ 3.26Å; S508-K525 WeakPolarHBondContact O-CB 3.43Å; S508-K525 PolarHBondContact O-N 3.06Å; F509-K525 VanDerWaalsContact O-CE 3.23Å; F509-K525 WeakPolarHBondContact O-CE 3.37Å; F510-K525 HydrophobicContact CD1-CG 4.17Å; F510-K525 HydrophobicContact CD2-CG 3.85Å; F510-K525 HydrophobicContact CE1-CG 4.1Å; F510-K525 HydrophobicContact CE2-CB 4.27Å; F510-K525 HydrophobicContact CE2-CG 3.76Å; F510-K525 HydrophobicContact CG-CG 4.06Å; F510-K525 HydrophobicContact CZ-CG 3.89Å; K525-E567 WeakPolarHBondContact CD-OE2 3.41Å; K525-E567 IonicContact NZ-OE1 2.74Å; K525-E567 IonicContact NZ-OE2 3.98Å; K525-E567 PolarHBondContact NZ-OE2 2.91Å
526	L	80.7	Confident	68.6	Low	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.337	C	S	.	.			trans	-125.9	141.7	-172.5	-60.4	177.2	0	0	0	111	P430 M532 N569	P430-L526 HydrophobicContact CB-CD2 3.7Å; L526-M532 HydrophobicContact CD1-CB 4.09Å; L526-M532 HydrophobicContact CD1-CG 3.86Å; L526-M532 HydrophobicContact CD1-SD 4.03Å; L526-M532 HydrophobicContact CD2-SD 3.9Å; L526-M532 HydrophobicContact CG-SD 4.14Å; L526-N569 HydrophobicContact CB-CB 4.03Å; L526-N569 HydrophobicContact CD1-CB 4.41Å; L526-N569 PolarHBondContact O-ND2 3Å
527	T	81.6	Confident	70.5	Confident	94 Å²	94	60.1 Å²	60.1	58%	0.577	33%	0.33	S	S	*	.	S	Bend	trans	-121.3	-51.8	173.3	-19.7	0	0	0	0	109.8	E433 N569	E433-T527 WeakPolarHBondContact OE1-CA 3.43Å; E433-T527 WeakPolarHBondContact OE1-CB 3.49Å; E433-T527 PolarHBondContact OE1-N 2.79Å; E433-T527 PolarHBondContact OE1-OG1 3.3Å; E433-T527 PolarHBondContact OE2-N 3.47Å; T527-N569 PolarHBondContact O-ND2 2.86Å
528	T	87	Confident	72.6	Confident	91 Å²	91	56.4 Å²	56.4	56%	0.558	29%	0.292	S	S	*	.	S	Bend	trans	-87.6	-23.2	-174.2	55.5	0	0	0	0	114.7	E433 H572	E433-T528 PolarHBondContact OE1-N 3.14Å; E433-T528 PolarHBondContact OE1-OG1 3.14Å; E433-T528 PolarHBondContact OE2-N 2.89Å; E433-T528 PolarHBondContact OE2-OG1 2.83Å; T528-H572 PolarHBondContact O-CD2 3.49Å; T528-H572 PolarHBondContact O-NE2 2.97Å; T528-H572 VanDerWaalsContact O-NE2 3.11Å
529	Y	90.5	Very high	74.4	Confident	61 Å²	61	49.3 Å²	49.3	24%	0.239	26%	0.256	C	S	.	.			trans	-100.4	141.7	179.4	-59.2	-87.7	0	0	0	112.2	S428 P430 E433 N569	S428-Y529 PolarHBondContact O-OH 3.44Å; P430-Y529 HydrophobicContact CB-CD1 4.43Å; P430-Y529 HydrophobicContact CB-CD2 3.67Å; P430-Y529 HydrophobicContact CB-CE2 4.22Å; P430-Y529 HydrophobicContact CB-CG 3.84Å; P430-Y529 HydrophobicContact CG-CG 4.47Å; E433-Y529 HydrophobicContact CB-CE2 4.46Å; E433-Y529 WeakPolarHBondContact OE2-CD2 3.4Å; Y529-N569 VanDerWaalsContact O-CB 3.31Å; Y529-N569 WeakPolarHBondContact O-CB 3.4Å; Y529-N569 PolarHBondContact O-ND2 3.15Å
530	P	90.8	Very high	76.4	Confident	24 Å²	24	44.2 Å²	44.2	16%	0.156	24%	0.238	C	C	.	.	S	Bend	trans	-71.4	-32.9	175.5	26.6	-33	0	0	0	112.7	N569 H572 I575 I596	P530-N569 WeakPolarHBondContact O-CB 3.47Å; P530-N569 PolarHBondContact O-N 2.61Å; P530-H572 HydrophobicContact CB-CB 4.41Å; P530-I575 HydrophobicContact CB-CD1 4.01Å; P530-I575 HydrophobicContact CB-CG1 3.97Å; P530-I596 HydrophobicContact CG-CB 4.32Å; P530-I596 HydrophobicContact CG-CG2 4.13Å
531	C	90.2	Very high	78.4	Confident	6 Å²	6	42.2 Å²	42.2	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	166.8	178.5	60.4	0	0	0	0	111.4	L566 E567 I596	C531-L566 HydrophobicContact CB-CD1 3.78Å; C531-L566 HydrophobicContact CB-CG 4.33Å; C531-E567 CarbonylContact C-O 3.48Å; C531-E567 WeakPolarHBondContact CA-O 3.34Å; C531-E567 VanDerWaalsContact CB-O 3.28Å; C531-E567 WeakPolarHBondContact CB-O 3.41Å; C531-I596 PolarHBondContact SG-O 2.7Å; C531-I596 VanDerWaalsContact SG-O 3.38Å
532	M	91.4	Very high	80	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	158.6	172.2	66	-177.3	-71	0	0	110.3	P430 Y431 L472 L526 E567	P430-M532 HydrophobicContact CB-CB 3.94Å; P430-M532 HydrophobicContact CG-CB 4.09Å; Y431-M532 HydrophobicContact CD1-CE 3.27Å; Y431-M532 HydrophobicContact CE1-CE 3.33Å; Y431-M532 HydrophobicContact CG-CE 4.41Å; L472-M532 HydrophobicContact CD1-CE 4.09Å; L526-M532 HydrophobicContact CD1-CB 4.09Å; L526-M532 HydrophobicContact CD1-CG 3.86Å; L526-M532 HydrophobicContact CD1-SD 4.03Å; L526-M532 HydrophobicContact CD2-SD 3.9Å; L526-M532 HydrophobicContact CG-SD 4.14Å; M532-E567 HydrophobicContact CG-CB 3.75Å; M532-E567 PolarHBondContact N-O 2.72Å; M532-E567 PolarHBondContact O-N 3.22Å
533	I	89.9	Confident	81	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.4	174.7	-67.4	-69.5	0	0	0	109.5	Y431 V535 P564 T565 L566 Y597 A600 L601 A604 L606	Y431-I533 WeakPolarHBondContact CE1-O 3.48Å; Y431-I533 PolarHBondContact OH-O 2.92Å; I533-V535 HydrophobicContact CG2-CG2 3.73Å; I533-P564 HydrophobicContact CD1-CB 4.48Å; I533-P564 HydrophobicContact CG2-CB 3.8Å; I533-T565 CarbonylContact C-O 3.53Å; I533-T565 WeakPolarHBondContact CA-O 3.41Å; I533-L566 HydrophobicContact CD1-CB 4.4Å; I533-L566 HydrophobicContact CD1-CD1 3.71Å; I533-L566 HydrophobicContact CG1-CD1 4.49Å; I533-Y597 HydrophobicContact CD1-CD2 4.1Å; I533-Y597 HydrophobicContact CD1-CE2 3.67Å; I533-A600 HydrophobicContact CG1-CB 3.78Å; I533-L601 HydrophobicContact CD1-CD2 4.33Å; I533-L601 HydrophobicContact CG1-CD2 4.08Å; I533-L601 HydrophobicContact CG1-CG 4.43Å; I533-A604 HydrophobicContact CB-CB 4.02Å; I533-A604 HydrophobicContact CG2-CB 4.23Å; I533-L606 HydrophobicContact CG2-CD1 4.01Å
534	S	86.9	Confident	81.8	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.9	175.2	-75.1	0	0	0	0	109.4	T565 E567	S534-T565 PolarHBondContact N-O 2.76Å; S534-T565 WeakPolarHBondContact O-CB 3.22Å; S534-T565 PolarHBondContact O-N 2.78Å; S534-E567 VanDerWaalsContact CB-OE1 3.22Å; S534-E567 WeakPolarHBondContact CB-OE1 3.26Å; S534-E567 PolarHBondContact OG-OE1 3.15Å
535	V	85	Confident	82	Confident	4 Å²	4	37 Å²	37	2%	0.024	19%	0.193	C	C	.	.			trans	-127	137.4	175	-166.1	0	0	0	0	109	I533 E537 L538 I541 L562 P564 L606	I533-V535 HydrophobicContact CG2-CG2 3.73Å; V535-E537 PolarHBondContact O-N 3.46Å; V535-L538 HydrophobicContact CB-CB 4.45Å; V535-L538 HydrophobicContact CB-CD1 4.08Å; V535-L538 HydrophobicContact CG2-CD1 4.12Å; V535-I541 HydrophobicContact CB-CD1 4.32Å; V535-I541 HydrophobicContact CG1-CD1 3.36Å; V535-L562 HydrophobicContact CG1-CB 4.21Å; V535-L562 VanDerWaalsContact CG1-O 3.28Å; V535-L562 WeakPolarHBondContact CG1-O 3.39Å; V535-P564 HydrophobicContact CG2-CB 3.96Å; V535-L606 HydrophobicContact CG2-CD1 3.87Å
536	K	81.4	Confident	81.7	Confident	145 Å²	145	43 Å²	43	63%	0.63	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	129.3	173.2	-172.4	-176.2	176.1	-170.6	0	108.8	L538 I541	K536-L538 PolarHBondContact O-N 3.43Å; K536-I541 WeakPolarHBondContact O-CD1 3.09Å
537	E	79.3	Confident	81.2	Confident	106 Å²	106	47.1 Å²	47.1	50%	0.495	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	41	178.8	-65.9	175.6	-157.7	0	0	113.9	N470 V535 G539 A540 I541	N470-E537 WeakPolarHBondContact OD1-CA 3.47Å; N470-E537 PolarHBondContact OD1-N 3.36Å; V535-E537 PolarHBondContact O-N 3.46Å; E537-G539 PolarHBondContact O-N 2.96Å; E537-A540 HydrophobicContact CB-CB 4.23Å; E537-A540 PolarHBondContact O-N 3.29Å; E537-I541 PolarHBondContact O-N 2.88Å; E537-I541 VanDerWaalsContact O-N 3.15Å
538	L	81.1	Confident	80.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-50.9	-37.3	-178	-175.8	61.3	0	0	0	113.3	E469 V535 K536 I541 R542 L606	E469-L538 HydrophobicContact CB-CB 4.37Å; E469-L538 HydrophobicContact CB-CD2 3.98Å; E469-L538 HydrophobicContact CG-CD2 3.83Å; V535-L538 HydrophobicContact CB-CB 4.45Å; V535-L538 HydrophobicContact CB-CD1 4.08Å; V535-L538 HydrophobicContact CG2-CD1 4.12Å; K536-L538 PolarHBondContact O-N 3.43Å; L538-I541 WeakPolarHBondContact O-CB 3.31Å; L538-I541 PolarHBondContact O-N 3.37Å; L538-R542 VanDerWaalsContact CD2-NH2 3.35Å; L538-R542 WeakPolarHBondContact O-CG 3.07Å; L538-R542 PolarHBondContact O-N 3.48Å; L538-L606 HydrophobicContact CD1-CD1 4.02Å; L538-L606 HydrophobicContact CD1-CD2 3.71Å; L538-L606 HydrophobicContact CD1-CG 4.02Å
539	G	77.2	Confident	79.3	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-70.5	-34.2	179.2	0	0	0	0	0	114.9	E451 E537 I541 R542 S543	E451-G539 VanDerWaalsContact CD-CA 3.49Å; E451-G539 WeakPolarHBondContact OE1-CA 3.37Å; E537-G539 PolarHBondContact O-N 2.96Å; G539-I541 VanDerWaalsContact C-N 3.3Å; G539-R542 PolarHBondContact O-N 3.25Å; G539-S543 WeakPolarHBondContact O-CB 3.41Å; G539-S543 PolarHBondContact O-N 2.92Å; G539-S543 PolarHBondContact O-OG 3.48Å
540	A	75.9	Confident	77.8	Confident	36 Å²	36	46.2 Å²	46.2	30%	0.298	25%	0.248	S	C	.	.	H	α-helix	trans	-67.2	-38.3	173.3	0	0	0	0	0	110.3	L455 E537 S543 F544	L455-A540 HydrophobicContact CD1-CB 4.08Å; E537-A540 HydrophobicContact CB-CB 4.23Å; E537-A540 PolarHBondContact O-N 3.29Å; A540-S543 WeakPolarHBondContact O-CB 3.21Å; A540-S543 PolarHBondContact O-N 2.82Å; A540-F544 WeakPolarHBondContact O-CB 3.06Å; A540-F544 PolarHBondContact O-N 3.49Å
541	I	77.4	Confident	76.4	Confident	24 Å²	24	53.5 Å²	53.5	12%	0.123	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-49.6	175.2	-71.7	158.1	0	0	0	111.5	V535 K536 E537 L538 G539 S543 F544 L545 L562 L606	V535-I541 HydrophobicContact CB-CD1 4.32Å; V535-I541 HydrophobicContact CG1-CD1 3.36Å; K536-I541 WeakPolarHBondContact O-CD1 3.09Å; E537-I541 PolarHBondContact O-N 2.88Å; E537-I541 VanDerWaalsContact O-N 3.15Å; L538-I541 WeakPolarHBondContact O-CB 3.31Å; L538-I541 PolarHBondContact O-N 3.37Å; G539-I541 VanDerWaalsContact C-N 3.3Å; I541-S543 PolarHBondContact O-N 3.1Å; I541-F544 WeakPolarHBondContact O-CB 3.4Å; I541-F544 PolarHBondContact O-N 3.25Å; I541-F544 VanDerWaalsContact O-N 3.15Å; I541-L545 HydrophobicContact CG2-CD1 3.86Å; I541-L545 HydrophobicContact CG2-CG 4.25Å; I541-L545 WeakPolarHBondContact O-CB 3.46Å; I541-L545 VanDerWaalsContact O-CG 3.31Å; I541-L545 WeakPolarHBondContact O-CG 3.06Å; I541-L545 PolarHBondContact O-N 2.86Å; I541-L562 HydrophobicContact CB-CD2 4.09Å; I541-L562 HydrophobicContact CD1-CD2 3.73Å; I541-L562 HydrophobicContact CG1-CD2 3.67Å; I541-L562 HydrophobicContact CG2-CD1 3.68Å; I541-L562 HydrophobicContact CG2-CD2 3.3Å; I541-L562 HydrophobicContact CG2-CG 4.1Å; I541-L606 HydrophobicContact CG2-CD2 4Å
542	R	77.8	Confident	75.3	Confident	18 Å²	18	58.9 Å²	58.9	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-57.5	-42.2	176.8	-74.5	176.6	-177.5	151.3	-0.7	111.3	N421 E451 E469 L538 G539 L545 R546 A604	N421-R542 PolarHBondContact ND2-NH1 3.22Å; E451-R542 IonicContact OE1-NH1 2.64Å; E469-R542 IonicContact OE1-CZ 3.04Å; E469-R542 IonicContact OE1-NH1 3.35Å; E469-R542 PolarHBondContact OE1-NH1 3.13Å; E469-R542 IonicContact OE1-NH2 2.8Å; E469-R542 PolarHBondContact OE1-NH2 3.16Å; L538-R542 VanDerWaalsContact CD2-NH2 3.35Å; L538-R542 WeakPolarHBondContact O-CG 3.07Å; L538-R542 PolarHBondContact O-N 3.48Å; G539-R542 PolarHBondContact O-N 3.25Å; R542-L545 PolarHBondContact O-N 3.47Å; R542-R546 VanDerWaalsContact O-CG 3.31Å; R542-R546 WeakPolarHBondContact O-CG 3.27Å; R542-R546 PolarHBondContact O-N 2.97Å; R542-A604 VanDerWaalsContact CZ-O 3.27Å; R542-A604 PolarHBondContact NE-O 3.39Å; R542-A604 PolarHBondContact NH2-O 2.91Å
543	S	73.5	Confident	74.3	Confident	20 Å²	20	61 Å²	61	14%	0.14	32%	0.316	C	S	.	.	H	α-helix	trans	-62.7	-44.5	176.4	-59.2	0	0	0	0	112	V452 G539 A540 I541 R546 A547	V452-S543 VanDerWaalsContact CG2-OG 3.32Å; V452-S543 WeakPolarHBondContact CG2-OG 3.41Å; G539-S543 WeakPolarHBondContact O-CB 3.41Å; G539-S543 PolarHBondContact O-N 2.92Å; G539-S543 PolarHBondContact O-OG 3.48Å; A540-S543 WeakPolarHBondContact O-CB 3.21Å; A540-S543 PolarHBondContact O-N 2.82Å; I541-S543 PolarHBondContact O-N 3.1Å; S543-R546 PolarHBondContact O-N 2.99Å; S543-A547 PolarHBondContact O-N 3.18Å
544	F	73.3	Confident	73.6	Confident	104 Å²	104	64.8 Å²	64.8	46%	0.456	34%	0.339	S	S	.	.	H	α-helix	trans	-61	-48.1	174.7	175.1	-98.7	0	0	0	111.7	A540 I541 R546 A547 Q548	A540-F544 WeakPolarHBondContact O-CB 3.06Å; A540-F544 PolarHBondContact O-N 3.49Å; I541-F544 WeakPolarHBondContact O-CB 3.4Å; I541-F544 PolarHBondContact O-N 3.25Å; I541-F544 VanDerWaalsContact O-N 3.15Å; F544-R546 VanDerWaalsContact C-N 3.32Å; F544-R546 PolarHBondContact O-N 3.21Å; F544-A547 PolarHBondContact O-N 3.33Å; F544-A547 VanDerWaalsContact O-N 3.11Å; F544-Q548 HydrophobicContact CD1-CG 4.39Å; F544-Q548 HydrophobicContact CE1-CG 4.02Å; F544-Q548 HydrophobicContact CE2-CG 4.34Å; F544-Q548 VanDerWaalsContact CE2-NE2 3.27Å; F544-Q548 HydrophobicContact CZ-CG 3.99Å; F544-Q548 VanDerWaalsContact CZ-NE2 3.33Å; F544-Q548 WeakPolarHBondContact O-CG 3.48Å; F544-Q548 PolarHBondContact O-N 3.48Å
545	L	73.7	Confident	72.8	Confident	37 Å²	37	67.2 Å²	67.2	19%	0.194	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-37.3	180	-69.6	175.7	0	0	0	112.5	I541 R542 A547 Q548 R558 L606	I541-L545 HydrophobicContact CG2-CD1 3.86Å; I541-L545 HydrophobicContact CG2-CG 4.25Å; I541-L545 WeakPolarHBondContact O-CB 3.46Å; I541-L545 VanDerWaalsContact O-CG 3.31Å; I541-L545 WeakPolarHBondContact O-CG 3.06Å; I541-L545 PolarHBondContact O-N 2.86Å; R542-L545 PolarHBondContact O-N 3.47Å; L545-A547 VanDerWaalsContact C-N 3.33Å; L545-Q548 PolarHBondContact O-N 3.43Å; L545-R558 HydrophobicContact CD2-CG 4Å; L545-L606 HydrophobicContact CD1-CD2 4.05Å
546	R	72	Confident	72.2	Confident	130 Å²	130	71.6 Å²	71.6	49%	0.491	37%	0.37	S	S	.	.	H	α-helix	trans	-69	-29.1	175.3	-72.7	174.4	-174.7	141.4	4.2	113.4	E451 R542 S543 F544 Q548	E451-R546 IonicContact OE2-CZ 3Å; E451-R546 IonicContact OE2-NH1 3.26Å; E451-R546 PolarHBondContact OE2-NH1 3.2Å; E451-R546 IonicContact OE2-NH2 3.06Å; R542-R546 VanDerWaalsContact O-CG 3.31Å; R542-R546 WeakPolarHBondContact O-CG 3.27Å; R542-R546 PolarHBondContact O-N 2.97Å; S543-R546 PolarHBondContact O-N 2.99Å; F544-R546 VanDerWaalsContact C-N 3.32Å; F544-R546 PolarHBondContact O-N 3.21Å; R546-Q548 VanDerWaalsContact C-N 3.34Å
547	A	70	Confident	71.9	Confident	85 Å²	85	69.1 Å²	69.1	70%	0.702	36%	0.361	S	S	*	.	H	α-helix	trans	-80.4	-17.2	179	0	0	0	0	0	112.9	S543 F544 L545	S543-A547 PolarHBondContact O-N 3.18Å; F544-A547 PolarHBondContact O-N 3.33Å; F544-A547 VanDerWaalsContact O-N 3.11Å; L545-A547 VanDerWaalsContact C-N 3.33Å
548	Q	67.9	Low	71.7	Confident	53 Å²	53	65.3 Å²	65.3	25%	0.248	34%	0.342	C	S	.	.	S	Bend	trans	-85.9	143.8	177.8	-66.4	-64	-13.3	0	0	111.1	F544 L545 R546 Q552	F544-Q548 HydrophobicContact CD1-CG 4.39Å; F544-Q548 HydrophobicContact CE1-CG 4.02Å; F544-Q548 HydrophobicContact CE2-CG 4.34Å; F544-Q548 VanDerWaalsContact CE2-NE2 3.27Å; F544-Q548 HydrophobicContact CZ-CG 3.99Å; F544-Q548 VanDerWaalsContact CZ-NE2 3.33Å; F544-Q548 WeakPolarHBondContact O-CG 3.48Å; F544-Q548 PolarHBondContact O-N 3.48Å; L545-Q548 PolarHBondContact O-N 3.43Å; R546-Q548 VanDerWaalsContact C-N 3.34Å; Q548-Q552 VanDerWaalsContact OE1-CD 3.31Å
549	T	60.5	Low	71.5	Confident	70 Å²	70	65.7 Å²	65.7	43%	0.429	34%	0.344	S	S	.	.			trans	-69.6	141.2	165	48.5	0	0	0	0	109.2	E551 Q552	T549-E551 PolarHBondContact O-N 2.64Å; T549-Q552 PolarHBondContact O-N 2.95Å; T549-Q552 PolarHBondContact OG1-NE2 3.09Å
550	P	59	Low	71.5	Confident	104 Å²	104	70.5 Å²	70.5	68%	0.675	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-52.5	-25.2	-176.2	-28.8	34.6	0	0	0	114.8	R558	P550-R558 PolarHBondContact O-NH2 3.39Å
551	E	61	Low	71.5	Confident	177 Å²	177	74.5 Å²	74.5	83%	0.827	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-75.2	-17.7	-172.4	-65.5	146.2	-171.5	0	0	115.2	T549	T549-E551 PolarHBondContact O-N 2.64Å
552	Q	68.1	Low	71.6	Confident	120 Å²	120	74.6 Å²	74.6	56%	0.561	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-81.4	-26.8	-168.1	-64.8	-169.4	16.3	0	0	115.2	Q548 T549	Q548-Q552 VanDerWaalsContact OE1-CD 3.31Å; T549-Q552 PolarHBondContact O-N 2.95Å; T549-Q552 PolarHBondContact OG1-NE2 3.09Å
553	L	69.3	Low	71.9	Confident	45 Å²	45	80 Å²	80	24%	0.236	41%	0.407	C	S	.	.	S	Bend	trans	-140.8	130.8	-175.5	-69.2	168.2	0	0	0	109.9	Q557 R558 L561	L553-Q557 HydrophobicContact CD2-CB 4.16Å; L553-R558 HydrophobicContact CB-CG 3.82Å; L553-R558 HydrophobicContact CD1-CG 4.36Å; L553-R558 PolarHBondContact O-NE 2.85Å; L553-R558 PolarHBondContact O-NH2 3.15Å; L553-R558 VanDerWaalsContact O-NH2 3.17Å; L553-L561 HydrophobicContact CD1-CD1 4.22Å
554	T	74.4	Confident	72.5	Confident	79 Å²	79	79 Å²	79	49%	0.485	40%	0.401	S	S	.	.			trans	-66.3	158.5	169.9	69.7	0	0	0	0	110.4	E556 Q557 R558	T554-E556 VanDerWaalsContact C-N 3.28Å; T554-E556 PolarHBondContact O-N 3.19Å; T554-Q557 PolarHBondContact O-N 3.08Å; T554-Q557 VanDerWaalsContact O-N 3.15Å; T554-Q557 VanDerWaalsContact OG1-CG 3.26Å; T554-Q557 WeakPolarHBondContact OG1-CG 3.5Å; T554-Q557 PolarHBondContact OG1-N 3.24Å; T554-Q557 PolarHBondContact OG1-OE1 2.59Å; T554-R558 WeakPolarHBondContact O-CG 3.37Å; T554-R558 PolarHBondContact O-N 3.09Å
555	E	71.9	Confident	73.2	Confident	53 Å²	53	74.4 Å²	74.4	25%	0.248	38%	0.381	C	S	.	.	H	α-helix	trans	-57.6	-41.1	177.8	-173.1	174.6	176.7	0	0	112.1	Q557 R558 L559	E555-Q557 PolarHBondContact O-N 3.44Å; E555-R558 WeakPolarHBondContact O-CB 3.22Å; E555-R558 PolarHBondContact O-N 3.33Å; E555-L559 HydrophobicContact CG-CD1 4.23Å; E555-L559 WeakPolarHBondContact O-CG 3.43Å; E555-L559 PolarHBondContact O-N 3.43Å
556	E	70.8	Confident	74	Confident	96 Å²	96	72.7 Å²	72.7	45%	0.449	37%	0.372	S	S	.	.	H	α-helix	trans	-61.5	-44.1	175	-69.5	-171.2	174.8	0	0	112.3	R500 T554 R558 L559 M560	R500-E556 IonicContact NH1-OE2 3.18Å; T554-E556 VanDerWaalsContact C-N 3.28Å; T554-E556 PolarHBondContact O-N 3.19Å; E556-R558 VanDerWaalsContact C-N 3.29Å; E556-R558 PolarHBondContact O-N 3.08Å; E556-L559 PolarHBondContact O-N 2.75Å; E556-M560 WeakPolarHBondContact O-CG 3.45Å; E556-M560 PolarHBondContact O-N 3.41Å
557	Q	76.2	Confident	74.8	Confident	94 Å²	94	66.6 Å²	66.6	44%	0.439	35%	0.349	S	S	.	.	H	α-helix	trans	-62.6	-38.7	177.1	-73.7	170.5	-24.2	0	0	111.4	L553 T554 E555 L561	L553-Q557 HydrophobicContact CD2-CB 4.16Å; T554-Q557 PolarHBondContact O-N 3.08Å; T554-Q557 VanDerWaalsContact O-N 3.15Å; T554-Q557 VanDerWaalsContact OG1-CG 3.26Å; T554-Q557 WeakPolarHBondContact OG1-CG 3.5Å; T554-Q557 PolarHBondContact OG1-N 3.24Å; T554-Q557 PolarHBondContact OG1-OE1 2.59Å; E555-Q557 PolarHBondContact O-N 3.44Å; Q557-L561 WeakPolarHBondContact O-CG 3.47Å; Q557-L561 PolarHBondContact O-N 2.79Å
558	R	75.5	Confident	75.7	Confident	25 Å²	25	62.6 Å²	62.6	9%	0.094	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-56.8	173.3	-68.6	172.7	177.5	140.8	8.5	109.8	L545 P550 L553 T554 E555 E556 M560 L561 L562 S608	L545-R558 HydrophobicContact CD2-CG 4Å; P550-R558 PolarHBondContact O-NH2 3.39Å; L553-R558 HydrophobicContact CB-CG 3.82Å; L553-R558 HydrophobicContact CD1-CG 4.36Å; L553-R558 PolarHBondContact O-NE 2.85Å; L553-R558 PolarHBondContact O-NH2 3.15Å; L553-R558 VanDerWaalsContact O-NH2 3.17Å; T554-R558 WeakPolarHBondContact O-CG 3.37Å; T554-R558 PolarHBondContact O-N 3.09Å; E555-R558 WeakPolarHBondContact O-CB 3.22Å; E555-R558 PolarHBondContact O-N 3.33Å; E556-R558 VanDerWaalsContact C-N 3.29Å; E556-R558 PolarHBondContact O-N 3.08Å; R558-M560 VanDerWaalsContact C-N 3.29Å; R558-M560 PolarHBondContact O-N 2.69Å; R558-L561 WeakPolarHBondContact O-CA 3.3Å; R558-L561 WeakPolarHBondContact O-CB 3.41Å; R558-L561 PolarHBondContact O-N 3.02Å; R558-L562 VanDerWaalsContact O-CG 3.29Å; R558-L562 WeakPolarHBondContact O-CG 3.41Å; R558-L562 PolarHBondContact O-N 2.78Å; R558-S608 PolarHBondContact NH1-OG 2.84Å
559	L	76.8	Confident	76.8	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.042	31%	0.305	C	S	.	.	H	α-helix	trans	-58.2	-38.1	-176.8	-66.6	172.5	0	0	0	113	E555 E556 L561 L562 K563 P564 L601	E555-L559 HydrophobicContact CG-CD1 4.23Å; E555-L559 WeakPolarHBondContact O-CG 3.43Å; E555-L559 PolarHBondContact O-N 3.43Å; E556-L559 PolarHBondContact O-N 2.75Å; L559-L561 VanDerWaalsContact C-N 3.3Å; L559-L561 PolarHBondContact O-N 3.18Å; L559-L562 PolarHBondContact O-N 3.05Å; L559-L562 VanDerWaalsContact O-N 3.16Å; L559-K563 PolarHBondContact O-N 2.86Å; L559-P564 HydrophobicContact CD2-CG 4.34Å; L559-P564 WeakPolarHBondContact O-CD 3.43Å; L559-L601 HydrophobicContact CD1-CD1 4.37Å; L559-L601 HydrophobicContact CD2-CD1 4.48Å; L559-L601 HydrophobicContact CD2-CD2 3.8Å
560	M	77.2	Confident	78	Confident	102 Å²	102	58 Å²	58	50%	0.502	29%	0.292	S	S	.	.	H	α-helix	trans	-62	-35.8	174.6	-74.5	-172.6	71.1	0	0	113.1	R500 E556 R558 K563	R500-M560 HydrophobicContact CB-CG 4.24Å; R500-M560 HydrophobicContact CB-SD 4.33Å; R500-M560 HydrophobicContact CG-SD 4.05Å; E556-M560 WeakPolarHBondContact O-CG 3.45Å; E556-M560 PolarHBondContact O-N 3.41Å; R558-M560 VanDerWaalsContact C-N 3.29Å; R558-M560 PolarHBondContact O-N 2.69Å; M560-K563 WeakPolarHBondContact O-CG 3.46Å
561	L	75.9	Confident	79.3	Confident	121 Å²	121	59.7 Å²	59.7	63%	0.634	29%	0.288	S	S	*	.	H	α-helix	trans	-72.4	-36.5	174.8	-67.4	167.9	0	0	0	111.6	L553 Q557 R558 L559	L553-L561 HydrophobicContact CD1-CD1 4.22Å; Q557-L561 WeakPolarHBondContact O-CG 3.47Å; Q557-L561 PolarHBondContact O-N 2.79Å; R558-L561 WeakPolarHBondContact O-CA 3.3Å; R558-L561 WeakPolarHBondContact O-CB 3.41Å; R558-L561 PolarHBondContact O-N 3.02Å; L559-L561 VanDerWaalsContact C-N 3.3Å; L559-L561 PolarHBondContact O-N 3.18Å
562	L	78.6	Confident	80.7	Confident	25 Å²	25	52.6 Å²	52.6	13%	0.131	26%	0.255	C	S	.	.	H	α-helix	trans	-75.1	-28.2	-177.3	-59.3	-169.4	0	0	0	113.1	V535 I541 R558 L559 L606	V535-L562 HydrophobicContact CG1-CB 4.21Å; V535-L562 VanDerWaalsContact CG1-O 3.28Å; V535-L562 WeakPolarHBondContact CG1-O 3.39Å; I541-L562 HydrophobicContact CB-CD2 4.09Å; I541-L562 HydrophobicContact CD1-CD2 3.73Å; I541-L562 HydrophobicContact CG1-CD2 3.67Å; I541-L562 HydrophobicContact CG2-CD1 3.68Å; I541-L562 HydrophobicContact CG2-CD2 3.3Å; I541-L562 HydrophobicContact CG2-CG 4.1Å; R558-L562 VanDerWaalsContact O-CG 3.29Å; R558-L562 WeakPolarHBondContact O-CG 3.41Å; R558-L562 PolarHBondContact O-N 2.78Å; L559-L562 PolarHBondContact O-N 3.05Å; L559-L562 VanDerWaalsContact O-N 3.16Å; L562-L606 HydrophobicContact CD1-CD1 4.06Å; L562-L606 HydrophobicContact CD1-CD2 3.64Å; L562-L606 HydrophobicContact CD1-CG 4.39Å
563	K	83.5	Confident	81.8	Confident	131 Å²	131	51.5 Å²	51.5	57%	0.57	26%	0.259	S	S	*	.			trans	48.6	57.6	-175.1	-62.9	-174.2	177.5	-175.5	0	112.3	N503 L559 M560	N503-K563 HydrophobicContact CB-CB 3.79Å; N503-K563 HydrophobicContact CB-CG 4.47Å; L559-K563 PolarHBondContact O-N 2.86Å; M560-K563 WeakPolarHBondContact O-CG 3.46Å
564	P	86.7	Confident	82.8	Confident	1 Å²	1	52 Å²	52	1%	0.006	26%	0.264	C	S	.	.			trans	-65.5	145.1	-175.6	31	-37.1	0	0	0	111.5	K501 N503 I533 V535 L559	K501-P564 WeakPolarHBondContact O-CG 3.28Å; N503-P564 PolarHBondContact N-O 3.42Å; I533-P564 HydrophobicContact CD1-CB 4.48Å; I533-P564 HydrophobicContact CG2-CB 3.8Å; V535-P564 HydrophobicContact CG2-CB 3.96Å; L559-P564 HydrophobicContact CD2-CG 4.34Å; L559-P564 WeakPolarHBondContact O-CD 3.43Å
565	T	88.8	Confident	83.5	Confident	6 Å²	6	48.3 Å²	48.3	4%	0.037	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.7	169.9	-58.2	0	0	0	0	109	E504 R506 I533 S534 E567	E504-T565 HydrophobicContact CB-CG2 4.15Å; E504-T565 HydrophobicContact CG-CG2 4.49Å; E504-T565 CarbonylContact O-C 3.59Å; E504-T565 VanDerWaalsContact O-CA 3.26Å; E504-T565 WeakPolarHBondContact O-CA 3.25Å; R506-T565 HydrophobicContact CG-CG2 3.67Å; R506-T565 PolarHBondContact NH2-OG1 3.01Å; I533-T565 CarbonylContact C-O 3.53Å; I533-T565 WeakPolarHBondContact CA-O 3.41Å; S534-T565 PolarHBondContact N-O 2.76Å; S534-T565 WeakPolarHBondContact O-CB 3.22Å; S534-T565 PolarHBondContact O-N 2.78Å; T565-E567 HydrophobicContact CG2-CG 4.33Å
566	L	90.5	Very high	84.3	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	114.3	170.9	-174	67.3	0	0	0	109.5	I493 L497 V502 E504 I505 R506 C531 I533 V568 Y597 A600	I493-L566 HydrophobicContact CG2-CD2 3.99Å; L497-L566 HydrophobicContact CD1-CD2 3.77Å; V502-L566 HydrophobicContact CG1-CB 4.01Å; E504-L566 PolarHBondContact O-N 3.41Å; I505-L566 WeakPolarHBondContact CA-O 3.44Å; I505-L566 HydrophobicContact CD1-CD2 4.28Å; I505-L566 HydrophobicContact CG1-CB 4.26Å; R506-L566 PolarHBondContact N-O 2.91Å; C531-L566 HydrophobicContact CB-CD1 3.78Å; C531-L566 HydrophobicContact CB-CG 4.33Å; I533-L566 HydrophobicContact CD1-CB 4.4Å; I533-L566 HydrophobicContact CD1-CD1 3.71Å; I533-L566 HydrophobicContact CG1-CD1 4.49Å; L566-V568 HydrophobicContact CD2-CG2 4.16Å; L566-V568 HydrophobicContact CG-CG2 4.08Å; L566-Y597 HydrophobicContact CD1-CD2 4.15Å; L566-Y597 HydrophobicContact CD2-CD2 4.38Å; L566-A600 HydrophobicContact CD1-CB 4.44Å
567	E	89.3	Confident	85.2	Confident	1 Å²	1	50 Å²	50	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.6	173.1	-67.9	-174	-136.7	0	0	109.3	R506 K525 C531 M532 S534 T565	R506-E567 HydrophobicContact CB-CG 4.49Å; R506-E567 CarbonylContact O-C 3.59Å; R506-E567 WeakPolarHBondContact O-CA 3.32Å; K525-E567 WeakPolarHBondContact CD-OE2 3.41Å; K525-E567 IonicContact NZ-OE1 2.74Å; K525-E567 IonicContact NZ-OE2 3.98Å; K525-E567 PolarHBondContact NZ-OE2 2.91Å; C531-E567 CarbonylContact C-O 3.48Å; C531-E567 WeakPolarHBondContact CA-O 3.34Å; C531-E567 VanDerWaalsContact CB-O 3.28Å; C531-E567 WeakPolarHBondContact CB-O 3.41Å; M532-E567 HydrophobicContact CG-CB 3.75Å; M532-E567 PolarHBondContact N-O 2.72Å; M532-E567 PolarHBondContact O-N 3.22Å; S534-E567 VanDerWaalsContact CB-OE1 3.22Å; S534-E567 WeakPolarHBondContact CB-OE1 3.26Å; S534-E567 PolarHBondContact OG-OE1 3.15Å; T565-E567 HydrophobicContact CG2-CG 4.33Å
568	V	89	Confident	85.8	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.4	-173	-179.8	0	0	0	0	110.3	L490 I505 R506 S508 L566 P570 I575	L490-V568 HydrophobicContact CD2-CB 3.98Å; L490-V568 HydrophobicContact CD2-CG1 4.32Å; L490-V568 HydrophobicContact CD2-CG2 4.05Å; I505-V568 HydrophobicContact CG2-CG2 3.87Å; R506-V568 PolarHBondContact O-N 3.14Å; S508-V568 PolarHBondContact N-O 2.83Å; S508-V568 PolarHBondContact OG-O 2.99Å; L566-V568 HydrophobicContact CD2-CG2 4.16Å; L566-V568 HydrophobicContact CG-CG2 4.08Å; V568-P570 VanDerWaalsContact O-CD 3.25Å; V568-P570 WeakPolarHBondContact O-CD 3.3Å; V568-I575 HydrophobicContact CG1-CB 4.47Å; V568-I575 HydrophobicContact CG1-CD1 3.81Å; V568-I575 HydrophobicContact CG1-CG1 3.91Å; V568-I575 HydrophobicContact CG1-CG2 3.72Å
569	N	89.7	Confident	86.3	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.011	24%	0.238	C	C	.	.			trans	-88.9	103	173.7	-178.4	-1.4	0	0	0	110.8	S508 Q524 L526 T527 Y529 P530 K571 H572 I575	S508-N569 WeakPolarHBondContact OG-CA 3.3Å; Q524-N569 PolarHBondContact NE2-OD1 3.16Å; L526-N569 HydrophobicContact CB-CB 4.03Å; L526-N569 HydrophobicContact CD1-CB 4.41Å; L526-N569 PolarHBondContact O-ND2 3Å; T527-N569 PolarHBondContact O-ND2 2.86Å; Y529-N569 VanDerWaalsContact O-CB 3.31Å; Y529-N569 WeakPolarHBondContact O-CB 3.4Å; Y529-N569 PolarHBondContact O-ND2 3.15Å; P530-N569 WeakPolarHBondContact O-CB 3.47Å; P530-N569 PolarHBondContact O-N 2.61Å; N569-K571 PolarHBondContact O-N 2.96Å; N569-K571 PolarHBondContact OD1-N 2.98Å; N569-K571 VanDerWaalsContact OD1-N 3.17Å; N569-H572 HydrophobicContact CB-CB 4.02Å; N569-H572 WeakPolarHBondContact O-CB 3.24Å; N569-H572 PolarHBondContact O-N 2.96Å; N569-H572 VanDerWaalsContact O-N 3.16Å; N569-H572 PolarHBondContact OD1-N 2.71Å; N569-I575 WeakPolarHBondContact O-CB 3.31Å; N569-I575 VanDerWaalsContact O-CG1 3.29Å; N569-I575 WeakPolarHBondContact O-CG1 3.38Å
570	P	85.7	Confident	86.7	Confident	24 Å²	24	51 Å²	51	16%	0.156	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.1	-172.8	29.9	-36.3	0	0	0	113	L486 V507 F509 V568 V576	L486-P570 HydrophobicContact CD1-CB 3.9Å; L486-P570 HydrophobicContact CD2-CB 3.72Å; L486-P570 HydrophobicContact CD2-CG 4.26Å; V507-P570 HydrophobicContact CG1-CG 3.65Å; F509-P570 HydrophobicContact CE1-CG 4.48Å; F509-P570 HydrophobicContact CZ-CG 4Å; V568-P570 VanDerWaalsContact O-CD 3.25Å; V568-P570 WeakPolarHBondContact O-CD 3.3Å; P570-V576 VanDerWaalsContact O-CG2 3.27Å; P570-V576 WeakPolarHBondContact O-CG2 3.27Å
571	K	85.9	Confident	87.2	Confident	139 Å²	139	47.7 Å²	47.7	60%	0.604	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-8.2	179	-64.5	-170.8	-151.8	158.7	0	113.2	Q524 N569	Q524-K571 VanDerWaalsContact CD-CE 3.44Å; Q524-K571 VanDerWaalsContact NE2-CE 3.28Å; Q524-K571 VanDerWaalsContact OE1-CE 3.25Å; N569-K571 PolarHBondContact O-N 2.96Å; N569-K571 PolarHBondContact OD1-N 2.98Å; N569-K571 VanDerWaalsContact OD1-N 3.17Å
572	H	90.3	Very high	87.7	Confident	29 Å²	29	43.7 Å²	43.7	13%	0.134	22%	0.221	C	C	.	.	S	Bend	trans	-65.6	132.7	178.5	-170.1	-89.8	0	0	0	109.8	T528 P530 N569 V574 I575 V576	T528-H572 PolarHBondContact O-CD2 3.49Å; T528-H572 PolarHBondContact O-NE2 2.97Å; T528-H572 VanDerWaalsContact O-NE2 3.11Å; P530-H572 HydrophobicContact CB-CB 4.41Å; N569-H572 HydrophobicContact CB-CB 4.02Å; N569-H572 WeakPolarHBondContact O-CB 3.24Å; N569-H572 PolarHBondContact O-N 2.96Å; N569-H572 VanDerWaalsContact O-N 3.16Å; N569-H572 PolarHBondContact OD1-N 2.71Å; H572-V574 WeakPolarHBondContact ND1-CB 3.38Å; H572-V574 PolarHBondContact ND1-N 3.03Å; H572-V574 PolarHBondContact O-N 3.42Å; H572-V574 VanDerWaalsContact O-N 3.08Å; H572-I575 HydrophobicContact CB-CB 4.49Å; H572-I575 HydrophobicContact CB-CG1 4.16Å; H572-I575 PolarHBondContact O-N 3.31Å; H572-V576 PolarHBondContact O-N 2.92Å
573	P	91.3	Very high	88	Confident	97 Å²	97	50.7 Å²	50.7	63%	0.63	25%	0.251	S	S	*	.	H	α-helix	trans	-53.1	-37.2	-174.9	-29.8	35.4	0	0	0	114.3	K577	P573-K577 VanDerWaalsContact O-CB 3.31Å; P573-K577 WeakPolarHBondContact O-CB 3.45Å; P573-K577 PolarHBondContact O-N 2.88Å
574	V	91	Very high	88.3	Confident	56 Å²	56	48.8 Å²	48.8	34%	0.339	25%	0.254	S	S	.	.	H	α-helix	trans	-62.3	-43.6	175.9	176.2	0	0	0	0	111.6	H572 K577 L578 I592 I596	H572-V574 WeakPolarHBondContact ND1-CB 3.38Å; H572-V574 PolarHBondContact ND1-N 3.03Å; H572-V574 PolarHBondContact O-N 3.42Å; H572-V574 VanDerWaalsContact O-N 3.08Å; V574-K577 PolarHBondContact O-N 3.35Å; V574-L578 WeakPolarHBondContact O-CB 3.42Å; V574-L578 PolarHBondContact O-N 3.15Å; V574-I592 HydrophobicContact CG1-CG2 3.89Å; V574-I596 HydrophobicContact CG1-CG2 4.21Å
575	I	89.8	Confident	88.3	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-70.8	-40.8	-179	-60.1	-57.4	0	0	0	110.7	L489 P530 V568 N569 H572 K577 L578 N579 I596	L489-I575 HydrophobicContact CD2-CG2 3.75Å; P530-I575 HydrophobicContact CB-CD1 4.01Å; P530-I575 HydrophobicContact CB-CG1 3.97Å; V568-I575 HydrophobicContact CG1-CB 4.47Å; V568-I575 HydrophobicContact CG1-CD1 3.81Å; V568-I575 HydrophobicContact CG1-CG1 3.91Å; V568-I575 HydrophobicContact CG1-CG2 3.72Å; N569-I575 WeakPolarHBondContact O-CB 3.31Å; N569-I575 VanDerWaalsContact O-CG1 3.29Å; N569-I575 WeakPolarHBondContact O-CG1 3.38Å; H572-I575 HydrophobicContact CB-CB 4.49Å; H572-I575 HydrophobicContact CB-CG1 4.16Å; H572-I575 PolarHBondContact O-N 3.31Å; I575-K577 VanDerWaalsContact C-N 3.34Å; I575-K577 PolarHBondContact O-N 3.27Å; I575-L578 WeakPolarHBondContact O-CB 3.34Å; I575-L578 PolarHBondContact O-N 3.23Å; I575-N579 PolarHBondContact O-N 3.43Å; I575-I596 HydrophobicContact CD1-CD1 3.7Å
576	V	88.5	Confident	88.3	Confident	74 Å²	74	53.8 Å²	53.8	45%	0.448	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-45.4	174.4	176.9	0	0	0	0	110.8	P570 H572	P570-V576 VanDerWaalsContact O-CG2 3.27Å; P570-V576 WeakPolarHBondContact O-CG2 3.27Å; H572-V576 PolarHBondContact O-N 2.92Å
577	K	89.6	Confident	88.1	Confident	110 Å²	110	57 Å²	57	48%	0.478	31%	0.307	S	S	.	.	H	α-helix	trans	-71.6	-32.8	179.8	-168.1	63.4	179.2	178	0	112.4	P573 V574 I575 N579 Q580 L581	P573-K577 VanDerWaalsContact O-CB 3.31Å; P573-K577 WeakPolarHBondContact O-CB 3.45Å; P573-K577 PolarHBondContact O-N 2.88Å; V574-K577 PolarHBondContact O-N 3.35Å; I575-K577 VanDerWaalsContact C-N 3.34Å; I575-K577 PolarHBondContact O-N 3.27Å; K577-N579 VanDerWaalsContact C-N 3.27Å; K577-N579 PolarHBondContact O-N 3.03Å; K577-Q580 WeakPolarHBondContact O-CA 3.44Å; K577-Q580 WeakPolarHBondContact O-CB 3.27Å; K577-Q580 PolarHBondContact O-N 2.83Å; K577-L581 HydrophobicContact CG-CD1 4.24Å; K577-L581 HydrophobicContact CG-CG 4.36Å; K577-L581 PolarHBondContact O-N 3.32Å
578	L	89.2	Confident	88.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.5	-40.8	177.3	-177.7	65.5	0	0	0	111.7	L489 W492 I493 V574 I575 Q580 L581 M582 A589 I592 V593	L489-L578 HydrophobicContact CD1-CD2 4.14Å; L489-L578 HydrophobicContact CD1-CG 4.23Å; W492-L578 HydrophobicContact CH2-CD1 4.3Å; W492-L578 HydrophobicContact CZ3-CD1 4.05Å; W492-L578 HydrophobicContact CZ3-CD2 4.21Å; W492-L578 HydrophobicContact CZ3-CG 4.12Å; I493-L578 HydrophobicContact CD1-CD2 4.21Å; I493-L578 HydrophobicContact CG1-CD2 4.38Å; V574-L578 WeakPolarHBondContact O-CB 3.42Å; V574-L578 PolarHBondContact O-N 3.15Å; I575-L578 WeakPolarHBondContact O-CB 3.34Å; I575-L578 PolarHBondContact O-N 3.23Å; L578-Q580 PolarHBondContact O-N 3.18Å; L578-L581 PolarHBondContact O-N 3.13Å; L578-L581 VanDerWaalsContact O-N 3.11Å; L578-M582 WeakPolarHBondContact O-CG 3.37Å; L578-M582 PolarHBondContact O-N 3.01Å; L578-A589 HydrophobicContact CD1-CB 3.92Å; L578-A589 WeakPolarHBondContact CD1-O 3.41Å; L578-I592 HydrophobicContact CD1-CB 4.42Å; L578-I592 HydrophobicContact CD1-CG2 4.28Å; L578-V593 HydrophobicContact CD1-CG2 3.85Å; L578-V593 HydrophobicContact CD2-CG2 3.4Å; L578-V593 VanDerWaalsContact CD2-CG2 3.4Å; L578-V593 HydrophobicContact CG-CG2 4.17Å
579	N	84.9	Confident	88.1	Confident	45 Å²	45	57.3 Å²	57.3	24%	0.241	31%	0.309	C	S	.	.	H	α-helix	trans	-59.7	-30.1	175.5	-169.5	33.5	0	0	0	113.3	L489 I575 K577	L489-N579 HydrophobicContact CD1-CB 4.37Å; L489-N579 HydrophobicContact CD2-CB 4.26Å; I575-N579 PolarHBondContact O-N 3.43Å; K577-N579 VanDerWaalsContact C-N 3.27Å; K577-N579 PolarHBondContact O-N 3.03Å
580	Q	86.1	Confident	88.1	Confident	103 Å²	103	59.6 Å²	59.6	48%	0.481	32%	0.323	S	S	.	.	H	α-helix	trans	-78.7	-44.3	173.6	-59.3	178.5	-4.4	0	0	111.1	K577 L578 M582 K583 S584	K577-Q580 WeakPolarHBondContact O-CA 3.44Å; K577-Q580 WeakPolarHBondContact O-CB 3.27Å; K577-Q580 PolarHBondContact O-N 2.83Å; L578-Q580 PolarHBondContact O-N 3.18Å; Q580-M582 VanDerWaalsContact C-N 3.28Å; Q580-M582 PolarHBondContact O-N 2.97Å; Q580-K583 PolarHBondContact O-N 3.49Å; Q580-S584 PolarHBondContact O-N 3.2Å; Q580-S584 PolarHBondContact O-OG 3.41Å
581	L	87.3	Confident	88.3	Confident	32 Å²	32	59.4 Å²	59.4	17%	0.168	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-33	-179.3	-72.1	172.9	0	0	0	112.9	K577 L578 K583 S584 D585 A589 I592	K577-L581 HydrophobicContact CG-CD1 4.24Å; K577-L581 HydrophobicContact CG-CG 4.36Å; K577-L581 PolarHBondContact O-N 3.32Å; L578-L581 PolarHBondContact O-N 3.13Å; L578-L581 VanDerWaalsContact O-N 3.11Å; L581-K583 PolarHBondContact O-N 3.14Å; L581-S584 PolarHBondContact O-N 2.73Å; L581-D585 HydrophobicContact CD2-CB 4.5Å; L581-D585 CarbonylContact O-C 3.15Å; L581-D585 WeakPolarHBondContact O-CA 3.48Å; L581-D585 PolarHBondContact O-N 3.27Å; L581-A589 HydrophobicContact CB-CB 4Å; L581-I592 HydrophobicContact CD1-CD1 3.66Å
582	M	86.9	Confident	88.5	Confident	37 Å²	37	54.2 Å²	54.2	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-51.1	-30.1	172	-76.9	172.2	57.4	0	0	113.2	L489 W492 L578 Q580 A589	L489-M582 HydrophobicContact CD1-SD 3.34Å; L489-M582 WeakPolarHBondContact CD1-SD 3.32Å; W492-M582 HydrophobicContact CB-CE 3.37Å; W492-M582 HydrophobicContact CB-SD 4.26Å; W492-M582 HydrophobicContact CD2-CE 3.51Å; W492-M582 HydrophobicContact CD2-CG 3.7Å; W492-M582 HydrophobicContact CD2-SD 3.63Å; W492-M582 HydrophobicContact CE3-CE 3.87Å; W492-M582 HydrophobicContact CE3-CG 3.53Å; W492-M582 HydrophobicContact CE3-SD 3.32Å; W492-M582 HydrophobicContact CG-CE 3.25Å; W492-M582 HydrophobicContact CG-CG 4.45Å; W492-M582 HydrophobicContact CG-SD 4.03Å; W492-M582 HydrophobicContact CH2-CG 3.78Å; W492-M582 HydrophobicContact CZ2-CG 3.93Å; W492-M582 HydrophobicContact CZ3-CG 3.53Å; W492-M582 HydrophobicContact CZ3-SD 3.86Å; L578-M582 WeakPolarHBondContact O-CG 3.37Å; L578-M582 PolarHBondContact O-N 3.01Å; Q580-M582 VanDerWaalsContact C-N 3.28Å; Q580-M582 PolarHBondContact O-N 2.97Å; M582-A589 HydrophobicContact CG-CB 4.41Å
583	K	85.2	Confident	88.6	Confident	172 Å²	172	52.9 Å²	52.9	75%	0.748	30%	0.296	S	S	*	.	H	α-helix	trans	-95.6	-40.2	-179.7	-59.3	-179	-175.5	178.7	0	112.6	Q580 L581	Q580-K583 PolarHBondContact O-N 3.49Å; L581-K583 PolarHBondContact O-N 3.14Å
584	S	89.3	Confident	88.5	Confident	92 Å²	92	51.4 Å²	51.4	64%	0.643	28%	0.281	S	S	*	.	H	α-helix	trans	-85.2	-33.8	-174.4	61.7	0	0	0	0	113.8	Q580 L581	Q580-S584 PolarHBondContact O-N 3.2Å; Q580-S584 PolarHBondContact O-OG 3.41Å; L581-S584 PolarHBondContact O-N 2.73Å
585	D	87.1	Confident	88.5	Confident	37 Å²	37	49.5 Å²	49.5	20%	0.198	27%	0.268	C	S	.	.			trans	-154.6	78.4	-172.8	-166.8	-18.5	0	0	0	111.6	L581 S587 V588 A589 K627	L581-D585 HydrophobicContact CD2-CB 4.5Å; L581-D585 CarbonylContact O-C 3.15Å; L581-D585 WeakPolarHBondContact O-CA 3.48Å; L581-D585 PolarHBondContact O-N 3.27Å; D585-S587 PolarHBondContact O-N 3.36Å; D585-V588 HydrophobicContact CB-CB 4.44Å; D585-V588 PolarHBondContact O-N 2.6Å; D585-V588 PolarHBondContact OD1-N 3.47Å; D585-V588 WeakPolarHBondContact OD2-CG2 3.29Å; D585-A589 PolarHBondContact O-N 3.49Å; D585-K627 IonicContact OD1-NZ 3.43Å; D585-K627 PolarHBondContact OD1-NZ 2.8Å; D585-K627 VanDerWaalsContact OD2-CD 3.22Å; D585-K627 WeakPolarHBondContact OD2-CD 3.25Å; D585-K627 VanDerWaalsContact OD2-CE 3.29Å; D585-K627 WeakPolarHBondContact OD2-CE 3.3Å; D585-K627 IonicContact OD2-NZ 3.64Å; D585-K627 PolarHBondContact OD2-NZ 3.33Å
586	P	87.8	Confident	88.6	Confident	75 Å²	75	50.1 Å²	50.1	49%	0.487	27%	0.272	S	S	.	.	H	α-helix	trans	-58.9	-32.7	-174.9	-25.5	34.5	0	0	0	113.8	A589 V590	P586-A589 PolarHBondContact O-N 3.49Å; P586-V590 VanDerWaalsContact O-CG2 3.31Å; P586-V590 WeakPolarHBondContact O-CG2 3.34Å; P586-V590 PolarHBondContact O-N 3.13Å
587	S	87.2	Confident	88.7	Confident	69 Å²	69	46.7 Å²	46.7	48%	0.483	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-48.7	-179.6	-170.6	0	0	0	0	111.5	D585 A589 V590 A591	D585-S587 PolarHBondContact O-N 3.36Å; S587-A589 VanDerWaalsContact C-N 3.34Å; S587-V590 PolarHBondContact O-N 3.34Å; S587-A591 PolarHBondContact O-N 3.21Å; S587-A591 VanDerWaalsContact O-N 3.12Å
588	V	87.6	Confident	88.7	Confident	9 Å²	9	41.9 Å²	41.9	6%	0.055	23%	0.23	C	C	.	.	H	α-helix	trans	-68.9	-37.1	178.1	170.5	0	0	0	0	110.7	D585 V590 A591 I592 K627	D585-V588 HydrophobicContact CB-CB 4.44Å; D585-V588 PolarHBondContact O-N 2.6Å; D585-V588 PolarHBondContact OD1-N 3.47Å; D585-V588 WeakPolarHBondContact OD2-CG2 3.29Å; V588-V590 VanDerWaalsContact C-N 3.34Å; V588-V590 PolarHBondContact O-N 2.76Å; V588-A591 PolarHBondContact O-N 2.85Å; V588-I592 HydrophobicContact CG1-CD1 3.66Å; V588-I592 HydrophobicContact CG1-CG1 4.23Å; V588-I592 WeakPolarHBondContact O-CB 3.13Å; V588-I592 VanDerWaalsContact O-CG1 3.27Å; V588-I592 WeakPolarHBondContact O-CG1 3.41Å; V588-I592 PolarHBondContact O-N 3.1Å; V588-K627 HydrophobicContact CG2-CD 3.65Å
589	A	89.6	Confident	88.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.6	-45.5	175.5	0	0	0	0	0	111.6	W492 L578 L581 M582 D585 P586 S587 I592 V593	W492-A589 HydrophobicContact CH2-CB 3.61Å; W492-A589 HydrophobicContact CZ2-CB 4.05Å; L578-A589 HydrophobicContact CD1-CB 3.92Å; L578-A589 WeakPolarHBondContact CD1-O 3.41Å; L581-A589 HydrophobicContact CB-CB 4Å; M582-A589 HydrophobicContact CG-CB 4.41Å; D585-A589 PolarHBondContact O-N 3.49Å; P586-A589 PolarHBondContact O-N 3.49Å; S587-A589 VanDerWaalsContact C-N 3.34Å; A589-I592 PolarHBondContact O-N 2.72Å; A589-V593 WeakPolarHBondContact O-CG2 3.15Å; A589-V593 PolarHBondContact O-N 3.44Å
590	V	90.5	Very high	89.1	Confident	50 Å²	50	43.4 Å²	43.4	30%	0.303	24%	0.239	S	C	.	.	H	α-helix	trans	-61.2	-49.5	176.7	169.5	0	0	0	0	110.8	W492 T496 P586 S587 V588 I592 V593 E594	W492-V590 HydrophobicContact CH2-CG2 4.47Å; W492-V590 HydrophobicContact CZ2-CG2 3.95Å; T496-V590 HydrophobicContact CG2-CB 4.27Å; T496-V590 HydrophobicContact CG2-CG1 3.89Å; T496-V590 HydrophobicContact CG2-CG2 3.95Å; P586-V590 VanDerWaalsContact O-CG2 3.31Å; P586-V590 WeakPolarHBondContact O-CG2 3.34Å; P586-V590 PolarHBondContact O-N 3.13Å; S587-V590 PolarHBondContact O-N 3.34Å; V588-V590 VanDerWaalsContact C-N 3.34Å; V588-V590 PolarHBondContact O-N 2.76Å; V590-I592 VanDerWaalsContact C-N 3.3Å; V590-I592 PolarHBondContact O-N 3.48Å; V590-V593 PolarHBondContact O-N 2.74Å; V590-V593 VanDerWaalsContact O-N 3.12Å; V590-E594 HydrophobicContact CG1-CG 4.46Å; V590-E594 PolarHBondContact O-N 2.77Å
591	A	88.8	Confident	89.2	Confident	21 Å²	21	38.5 Å²	38.5	17%	0.174	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-38.5	-179.5	0	0	0	0	0	112.4	S587 V588 Q595 L620	S587-A591 PolarHBondContact O-N 3.21Å; S587-A591 VanDerWaalsContact O-N 3.12Å; V588-A591 PolarHBondContact O-N 2.85Å; A591-Q595 WeakPolarHBondContact O-CB 3.2Å; A591-Q595 PolarHBondContact O-N 3Å; A591-L620 HydrophobicContact CB-CD1 3.78Å
592	I	91.2	Very high	89.2	Confident	30 Å²	30	40 Å²	40	15%	0.154	22%	0.223	C	C	.	.	H	α-helix	trans	-65	-44.5	174.5	-69.7	169.7	0	0	0	111	V574 L578 L581 V588 A589 V590 Q595 I596 L620	V574-I592 HydrophobicContact CG1-CG2 3.89Å; L578-I592 HydrophobicContact CD1-CB 4.42Å; L578-I592 HydrophobicContact CD1-CG2 4.28Å; L581-I592 HydrophobicContact CD1-CD1 3.66Å; V588-I592 HydrophobicContact CG1-CD1 3.66Å; V588-I592 HydrophobicContact CG1-CG1 4.23Å; V588-I592 WeakPolarHBondContact O-CB 3.13Å; V588-I592 VanDerWaalsContact O-CG1 3.27Å; V588-I592 WeakPolarHBondContact O-CG1 3.41Å; V588-I592 PolarHBondContact O-N 3.1Å; A589-I592 PolarHBondContact O-N 2.72Å; V590-I592 VanDerWaalsContact C-N 3.3Å; V590-I592 PolarHBondContact O-N 3.48Å; I592-Q595 PolarHBondContact O-N 3.04Å; I592-I596 HydrophobicContact CG2-CG2 4.32Å; I592-I596 WeakPolarHBondContact O-CG1 3.23Å; I592-I596 WeakPolarHBondContact O-CG2 3.39Å; I592-I596 PolarHBondContact O-N 2.91Å; I592-L620 HydrophobicContact CG1-CD1 3.99Å
593	V	91.3	Very high	89.2	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-46.9	178.5	164.9	0	0	0	0	112	W492 I493 T496 L497 L578 A589 V590 Q595 I596 Y597	W492-V593 HydrophobicContact CE3-CG2 4.41Å; W492-V593 HydrophobicContact CH2-CG2 3.82Å; W492-V593 HydrophobicContact CZ3-CG2 3.41Å; W492-V593 VanDerWaalsContact CZ3-CG2 3.41Å; I493-V593 HydrophobicContact CG1-CG2 4.18Å; I493-V593 HydrophobicContact CG2-CG1 4.01Å; T496-V593 HydrophobicContact CG2-CB 4.48Å; T496-V593 HydrophobicContact CG2-CG1 4.13Å; L497-V593 HydrophobicContact CD1-CG1 4.21Å; L497-V593 HydrophobicContact CD2-CG1 3.75Å; L497-V593 HydrophobicContact CG-CG1 3.79Å; L578-V593 HydrophobicContact CD1-CG2 3.85Å; L578-V593 HydrophobicContact CD2-CG2 3.4Å; L578-V593 VanDerWaalsContact CD2-CG2 3.4Å; L578-V593 HydrophobicContact CG-CG2 4.17Å; A589-V593 WeakPolarHBondContact O-CG2 3.15Å; A589-V593 PolarHBondContact O-N 3.44Å; V590-V593 PolarHBondContact O-N 2.74Å; V590-V593 VanDerWaalsContact O-N 3.12Å; V593-Q595 VanDerWaalsContact C-N 3.28Å; V593-Q595 PolarHBondContact O-N 2.84Å; V593-I596 VanDerWaalsContact O-CG1 3.22Å; V593-I596 WeakPolarHBondContact O-CG1 3.16Å; V593-I596 PolarHBondContact O-N 2.83Å; V593-Y597 VanDerWaalsContact O-CB 3.31Å; V593-Y597 WeakPolarHBondContact O-CB 3.46Å; V593-Y597 PolarHBondContact O-N 3.46Å
594	E	89.7	Confident	89.2	Confident	66 Å²	66	32.3 Å²	32.3	31%	0.308	20%	0.195	S	C	.	.	H	α-helix	trans	-60.7	-41.7	176.8	-68.4	-170.6	141	0	0	111	V590 Y597 D598	V590-E594 HydrophobicContact CG1-CG 4.46Å; V590-E594 PolarHBondContact O-N 2.77Å; E594-Y597 WeakPolarHBondContact O-CB 3.39Å; E594-Y597 PolarHBondContact O-N 3.1Å; E594-D598 PolarHBondContact O-N 2.87Å
595	Q	91.2	Very high	88.8	Confident	15 Å²	15	30 Å²	30	7%	0.07	19%	0.186	C	C	.	.	H	α-helix	trans	-68.8	-42.8	-179.7	-169.5	60.1	60.5	0	0	113.3	A591 I592 V593 Y597 D598 N599 V617 L620	A591-Q595 WeakPolarHBondContact O-CB 3.2Å; A591-Q595 PolarHBondContact O-N 3Å; I592-Q595 PolarHBondContact O-N 3.04Å; V593-Q595 VanDerWaalsContact C-N 3.28Å; V593-Q595 PolarHBondContact O-N 2.84Å; Q595-Y597 VanDerWaalsContact C-N 3.26Å; Q595-Y597 PolarHBondContact O-N 2.76Å; Q595-D598 PolarHBondContact O-N 2.97Å; Q595-N599 PolarHBondContact NE2-OD1 2.89Å; Q595-N599 WeakPolarHBondContact O-CB 3.5Å; Q595-N599 PolarHBondContact O-N 3.31Å; Q595-N599 PolarHBondContact O-OD1 3.38Å; Q595-V617 VanDerWaalsContact CD-CG2 3.41Å; Q595-V617 VanDerWaalsContact NE2-CG2 3.33Å; Q595-L620 HydrophobicContact CB-CD2 3.82Å; Q595-L620 HydrophobicContact CG-CD2 3.91Å
596	I	91.8	Very high	88.6	Confident	15 Å²	15	28.8 Å²	28.8	8%	0.077	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-34	176.8	64.2	178	0	0	0	111	P530 C531 V574 I575 I592 V593 N599 A600	P530-I596 HydrophobicContact CG-CB 4.32Å; P530-I596 HydrophobicContact CG-CG2 4.13Å; C531-I596 PolarHBondContact SG-O 2.7Å; C531-I596 VanDerWaalsContact SG-O 3.38Å; V574-I596 HydrophobicContact CG1-CG2 4.21Å; I575-I596 HydrophobicContact CD1-CD1 3.7Å; I592-I596 HydrophobicContact CG2-CG2 4.32Å; I592-I596 WeakPolarHBondContact O-CG1 3.23Å; I592-I596 WeakPolarHBondContact O-CG2 3.39Å; I592-I596 PolarHBondContact O-N 2.91Å; V593-I596 VanDerWaalsContact O-CG1 3.22Å; V593-I596 WeakPolarHBondContact O-CG1 3.16Å; V593-I596 PolarHBondContact O-N 2.83Å; I596-N599 PolarHBondContact O-N 2.88Å; I596-A600 WeakPolarHBondContact O-CB 3.42Å; I596-A600 PolarHBondContact O-N 2.79Å
597	Y	91.5	Very high	88.2	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-64.7	-48	174.4	175.3	-103.7	0	0	0	111.4	L497 K501 V502 I533 L566 V593 E594 Q595 N599 A600 L601	L497-Y597 HydrophobicContact CD1-CD2 3.75Å; L497-Y597 HydrophobicContact CD1-CE2 4.44Å; L497-Y597 HydrophobicContact CD1-CG 3.95Å; L497-Y597 HydrophobicContact CD2-CD1 4.07Å; L497-Y597 HydrophobicContact CD2-CD2 4.44Å; L497-Y597 HydrophobicContact CD2-CG 3.83Å; K501-Y597 HydrophobicContact CB-CE1 4.17Å; K501-Y597 HydrophobicContact CD-CE1 4.06Å; K501-Y597 PolarHBondContact O-OH 3.4Å; V502-Y597 HydrophobicContact CG2-CD2 3.98Å; V502-Y597 HydrophobicContact CG2-CE2 3.34Å; I533-Y597 HydrophobicContact CD1-CD2 4.1Å; I533-Y597 HydrophobicContact CD1-CE2 3.67Å; L566-Y597 HydrophobicContact CD1-CD2 4.15Å; L566-Y597 HydrophobicContact CD2-CD2 4.38Å; V593-Y597 VanDerWaalsContact O-CB 3.31Å; V593-Y597 WeakPolarHBondContact O-CB 3.46Å; V593-Y597 PolarHBondContact O-N 3.46Å; E594-Y597 WeakPolarHBondContact O-CB 3.39Å; E594-Y597 PolarHBondContact O-N 3.1Å; Q595-Y597 VanDerWaalsContact C-N 3.26Å; Q595-Y597 PolarHBondContact O-N 2.76Å; Y597-N599 VanDerWaalsContact C-N 3.33Å; Y597-N599 PolarHBondContact O-N 3.45Å; Y597-A600 WeakPolarHBondContact O-CB 3.41Å; Y597-A600 PolarHBondContact O-N 2.82Å; Y597-A600 VanDerWaalsContact O-N 3.13Å; Y597-L601 HydrophobicContact CD1-CD1 3.97Å; Y597-L601 HydrophobicContact CD1-CG 4.47Å; Y597-L601 HydrophobicContact CE1-CD1 3.3Å; Y597-L601 HydrophobicContact CE1-CG 3.97Å; Y597-L601 HydrophobicContact CE2-CD1 4.47Å; Y597-L601 HydrophobicContact CE2-CG 4.3Å; Y597-L601 PolarHBondContact O-N 3.05Å
598	D	89.6	Confident	87.4	Confident	8 Å²	8	26.2 Å²	26.2	4%	0.043	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-43.2	175.3	-74.3	-21.3	0	0	0	111.8	E594 Q595 A600 L601 I602 V613 R616	E594-D598 PolarHBondContact O-N 2.87Å; Q595-D598 PolarHBondContact O-N 2.97Å; D598-A600 VanDerWaalsContact C-N 3.27Å; D598-A600 PolarHBondContact O-N 2.79Å; D598-L601 PolarHBondContact O-N 3.47Å; D598-L601 VanDerWaalsContact O-N 3.17Å; D598-I602 WeakPolarHBondContact O-CG1 3.3Å; D598-I602 PolarHBondContact O-N 2.77Å; D598-V613 HydrophobicContact CB-CG1 4.01Å; D598-V613 HydrophobicContact CB-CG2 4.45Å; D598-R616 VanDerWaalsContact CG-NH2 3.28Å; D598-R616 IonicContact OD1-NH2 3.86Å; D598-R616 PolarHBondContact OD1-NH2 2.88Å; D598-R616 IonicContact OD2-CZ 3.23Å; D598-R616 IonicContact OD2-NE 2.72Å; D598-R616 PolarHBondContact OD2-NE 2.79Å; D598-R616 IonicContact OD2-NH2 2.81Å; D598-R616 PolarHBondContact OD2-NH2 2.79Å
599	N	90.9	Very high	86.9	Confident	75 Å²	75	29.2 Å²	29.2	40%	0.401	18%	0.178	S	C	.	.	H	α-helix	trans	-60.6	-38	176.5	-67.7	-5.1	0	0	0	111.8	Q595 I596 Y597 S603	Q595-N599 PolarHBondContact NE2-OD1 2.89Å; Q595-N599 WeakPolarHBondContact O-CB 3.5Å; Q595-N599 PolarHBondContact O-N 3.31Å; Q595-N599 PolarHBondContact O-OD1 3.38Å; I596-N599 PolarHBondContact O-N 2.88Å; Y597-N599 VanDerWaalsContact C-N 3.33Å; Y597-N599 PolarHBondContact O-N 3.45Å; N599-S603 WeakPolarHBondContact O-CB 3.35Å; N599-S603 PolarHBondContact O-N 3.04Å; N599-S603 PolarHBondContact O-OG 2.91Å
600	A	90.4	Very high	86.6	Confident	3 Å²	3	33.1 Å²	33.1	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-70.3	-37.5	176.2	0	0	0	0	0	112	I533 L566 I596 Y597 D598 S603 A604	I533-A600 HydrophobicContact CG1-CB 3.78Å; L566-A600 HydrophobicContact CD1-CB 4.44Å; I596-A600 WeakPolarHBondContact O-CB 3.42Å; I596-A600 PolarHBondContact O-N 2.79Å; Y597-A600 WeakPolarHBondContact O-CB 3.41Å; Y597-A600 PolarHBondContact O-N 2.82Å; Y597-A600 VanDerWaalsContact O-N 3.13Å; D598-A600 VanDerWaalsContact C-N 3.27Å; D598-A600 PolarHBondContact O-N 2.79Å; A600-S603 PolarHBondContact O-N 2.91Å; A600-A604 WeakPolarHBondContact O-CB 3.47Å; A600-A604 PolarHBondContact O-N 3.33Å
601	L	88.1	Confident	86.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.5	-41	172.2	-74.5	177.8	0	0	0	112.5	I533 L559 Y597 D598 S603 A604 G605 L606 V607	I533-L601 HydrophobicContact CD1-CD2 4.33Å; I533-L601 HydrophobicContact CG1-CD2 4.08Å; I533-L601 HydrophobicContact CG1-CG 4.43Å; L559-L601 HydrophobicContact CD1-CD1 4.37Å; L559-L601 HydrophobicContact CD2-CD1 4.48Å; L559-L601 HydrophobicContact CD2-CD2 3.8Å; Y597-L601 HydrophobicContact CD1-CD1 3.97Å; Y597-L601 HydrophobicContact CD1-CG 4.47Å; Y597-L601 HydrophobicContact CE1-CD1 3.3Å; Y597-L601 HydrophobicContact CE1-CG 3.97Å; Y597-L601 HydrophobicContact CE2-CD1 4.47Å; Y597-L601 HydrophobicContact CE2-CG 4.3Å; Y597-L601 PolarHBondContact O-N 3.05Å; D598-L601 PolarHBondContact O-N 3.47Å; D598-L601 VanDerWaalsContact O-N 3.17Å; L601-S603 VanDerWaalsContact C-N 3.34Å; L601-A604 CarbonylContact O-C 3.27Å; L601-A604 PolarHBondContact O-N 3.32Å; L601-G605 PolarHBondContact O-N 2.77Å; L601-G605 VanDerWaalsContact O-N 3.09Å; L601-L606 HydrophobicContact CD2-CB 4.08Å; L601-L606 HydrophobicContact CD2-CD1 4.19Å; L601-L606 PolarHBondContact O-N 3.03Å; L601-V607 HydrophobicContact CB-CG2 3.55Å
602	I	87.7	Confident	85.8	Confident	64 Å²	64	39.1 Å²	39.1	33%	0.328	23%	0.227	S	C	.	.	H	α-helix	trans	-60.5	-48.2	174.5	-68.6	169.9	0	0	0	109.4	D598 A604 G605 V607 V610 V613	D598-I602 WeakPolarHBondContact O-CG1 3.3Å; D598-I602 PolarHBondContact O-N 2.77Å; I602-A604 PolarHBondContact O-N 2.91Å; I602-G605 PolarHBondContact O-N 2.99Å; I602-V607 HydrophobicContact CG1-CB 4.23Å; I602-V607 HydrophobicContact CG1-CG2 3.7Å; I602-V610 HydrophobicContact CD1-CG1 4.45Å; I602-V613 HydrophobicContact CD1-CB 4.38Å; I602-V613 HydrophobicContact CD1-CG1 4.06Å; I602-V613 HydrophobicContact CD1-CG2 4.2Å
603	S	86.5	Confident	85.6	Confident	47 Å²	47	38 Å²	38	33%	0.329	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-30.6	178.1	-57.6	0	0	0	0	112.3	N599 A600 L601 G605	N599-S603 WeakPolarHBondContact O-CB 3.35Å; N599-S603 PolarHBondContact O-N 3.04Å; N599-S603 PolarHBondContact O-OG 2.91Å; A600-S603 PolarHBondContact O-N 2.91Å; L601-S603 VanDerWaalsContact C-N 3.34Å; S603-G605 VanDerWaalsContact C-N 3.32Å
604	A	85.4	Confident	85.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-78.7	-11	173.2	0	0	0	0	0	114.1	Y431 I533 R542 A600 L601 I602 L606	Y431-A604 WeakPolarHBondContact OH-CA 3.45Å; Y431-A604 WeakPolarHBondContact OH-CB 3.33Å; I533-A604 HydrophobicContact CB-CB 4.02Å; I533-A604 HydrophobicContact CG2-CB 4.23Å; R542-A604 VanDerWaalsContact CZ-O 3.27Å; R542-A604 PolarHBondContact NE-O 3.39Å; R542-A604 PolarHBondContact NH2-O 2.91Å; A600-A604 WeakPolarHBondContact O-CB 3.47Å; A600-A604 PolarHBondContact O-N 3.33Å; L601-A604 CarbonylContact O-C 3.27Å; L601-A604 PolarHBondContact O-N 3.32Å; I602-A604 PolarHBondContact O-N 2.91Å; A604-L606 VanDerWaalsContact C-N 3.32Å; A604-L606 HydrophobicContact CB-CB 4.49Å; A604-L606 HydrophobicContact CB-CD1 3.98Å; A604-L606 HydrophobicContact CB-CG 3.92Å
605	G	81.8	Confident	85.2	Confident	44 Å²	44	40.4 Å²	40.4	45%	0.454	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	31.7	-174.9	0	0	0	0	0	113.1	L601 I602 S603	L601-G605 PolarHBondContact O-N 2.77Å; L601-G605 VanDerWaalsContact O-N 3.09Å; I602-G605 PolarHBondContact O-N 2.99Å; S603-G605 VanDerWaalsContact C-N 3.32Å
606	L	82.6	Confident	84.9	Confident	10 Å²	10	43.7 Å²	43.7	5%	0.052	26%	0.26	C	S	.	.			trans	-104.5	-9.7	-177.2	-66.8	-179.6	0	0	0	114	I533 V535 L538 I541 L545 L562 L601 A604	I533-L606 HydrophobicContact CG2-CD1 4.01Å; V535-L606 HydrophobicContact CG2-CD1 3.87Å; L538-L606 HydrophobicContact CD1-CD1 4.02Å; L538-L606 HydrophobicContact CD1-CD2 3.71Å; L538-L606 HydrophobicContact CD1-CG 4.02Å; I541-L606 HydrophobicContact CG2-CD2 4Å; L545-L606 HydrophobicContact CD1-CD2 4.05Å; L562-L606 HydrophobicContact CD1-CD1 4.06Å; L562-L606 HydrophobicContact CD1-CD2 3.64Å; L562-L606 HydrophobicContact CD1-CG 4.39Å; L601-L606 HydrophobicContact CD2-CB 4.08Å; L601-L606 HydrophobicContact CD2-CD1 4.19Å; L601-L606 PolarHBondContact O-N 3.03Å; A604-L606 VanDerWaalsContact C-N 3.32Å; A604-L606 HydrophobicContact CB-CB 4.49Å; A604-L606 HydrophobicContact CB-CD1 3.98Å; A604-L606 HydrophobicContact CB-CG 3.92Å
607	V	79.7	Confident	84.8	Confident	21 Å²	21	45.1 Å²	45.1	13%	0.127	27%	0.269	C	S	.	.			trans	-77.7	127.6	176.3	177.3	0	0	0	0	110	L601 I602 D609 V610 V613	L601-V607 HydrophobicContact CB-CG2 3.55Å; I602-V607 HydrophobicContact CG1-CB 4.23Å; I602-V607 HydrophobicContact CG1-CG2 3.7Å; V607-D609 WeakPolarHBondContact CG1-O 3.44Å; V607-V610 HydrophobicContact CG1-CG2 4.25Å; V607-V613 HydrophobicContact CG1-CG2 4.28Å
608	S	70.2	Confident	84.8	Confident	70 Å²	70	49.3 Å²	49.3	49%	0.49	29%	0.292	S	S	.	.	S	Bend	trans	-82.7	-34.1	176.5	45.8	0	0	0	0	113.9	R558	R558-S608 PolarHBondContact NH1-OG 2.84Å
609	D	77.5	Confident	84.6	Confident	71 Å²	71	56 Å²	56	38%	0.38	32%	0.32	S	S	.	.			trans	-130	99.1	177.3	176.2	25	0	0	0	110.9	V607 Q611 S612	V607-D609 WeakPolarHBondContact CG1-O 3.44Å; D609-Q611 PolarHBondContact O-N 3.44Å; D609-Q611 VanDerWaalsContact OD1-CB 3.25Å; D609-Q611 WeakPolarHBondContact OD1-CB 3.41Å; D609-Q611 PolarHBondContact OD1-N 3.08Å; D609-S612 PolarHBondContact O-N 3.09Å; D609-S612 PolarHBondContact O-OG 3.26Å; D609-S612 WeakPolarHBondContact OD2-CB 3.27Å; D609-S612 PolarHBondContact OD2-N 3.38Å
610	V	81.8	Confident	84.5	Confident	82 Å²	82	53.8 Å²	53.8	50%	0.497	31%	0.308	S	S	.	.	H	α-helix	trans	-66	-24.5	177.9	-177	0	0	0	0	111.3	I602 V607 S612 V613	I602-V610 HydrophobicContact CD1-CG1 4.45Å; V607-V610 HydrophobicContact CG1-CG2 4.25Å; V610-S612 VanDerWaalsContact C-N 3.32Å; V610-S612 PolarHBondContact O-N 3.08Å; V610-V613 WeakPolarHBondContact O-CB 3.4Å; V610-V613 PolarHBondContact O-N 3.11Å
611	Q	83.6	Confident	84.5	Confident	159 Å²	159	58 Å²	58	74%	0.743	33%	0.329	S	S	*	.	H	α-helix	trans	-67.6	-34.9	-179.9	-58.1	-174.6	-12.1	0	0	111.6	D609 V613 V614	D609-Q611 PolarHBondContact O-N 3.44Å; D609-Q611 VanDerWaalsContact OD1-CB 3.25Å; D609-Q611 WeakPolarHBondContact OD1-CB 3.41Å; D609-Q611 PolarHBondContact OD1-N 3.08Å; Q611-V613 PolarHBondContact O-N 2.88Å; Q611-V614 WeakPolarHBondContact O-CB 3.41Å; Q611-V614 PolarHBondContact O-N 3.02Å; Q611-V614 VanDerWaalsContact O-N 3.13Å
612	S	79.8	Confident	84.6	Confident	39 Å²	39	61.4 Å²	61.4	27%	0.273	35%	0.35	S	S	.	.	H	α-helix	trans	-57.8	-30.9	175.1	76.7	0	0	0	0	113.4	D609 V610 R616	D609-S612 PolarHBondContact O-N 3.09Å; D609-S612 PolarHBondContact O-OG 3.26Å; D609-S612 WeakPolarHBondContact OD2-CB 3.27Å; D609-S612 PolarHBondContact OD2-N 3.38Å; V610-S612 VanDerWaalsContact C-N 3.32Å; V610-S612 PolarHBondContact O-N 3.08Å; S612-R616 PolarHBondContact O-NH1 3.08Å
613	V	85.9	Confident	84.4	Confident	6 Å²	6	61.7 Å²	61.7	4%	0.036	35%	0.35	C	S	.	.	H	α-helix	trans	-72.2	-36.1	179.8	-176.2	0	0	0	0	110.9	D598 I602 V607 V610 Q611 G615 R616 V617	D598-V613 HydrophobicContact CB-CG1 4.01Å; D598-V613 HydrophobicContact CB-CG2 4.45Å; I602-V613 HydrophobicContact CD1-CB 4.38Å; I602-V613 HydrophobicContact CD1-CG1 4.06Å; I602-V613 HydrophobicContact CD1-CG2 4.2Å; V607-V613 HydrophobicContact CG1-CG2 4.28Å; V610-V613 WeakPolarHBondContact O-CB 3.4Å; V610-V613 PolarHBondContact O-N 3.11Å; Q611-V613 PolarHBondContact O-N 2.88Å; V613-G615 PolarHBondContact O-N 2.88Å; V613-R616 PolarHBondContact O-N 2.92Å; V613-V617 HydrophobicContact CG1-CG2 4.24Å; V613-V617 WeakPolarHBondContact O-CG2 3.14Å; V613-V617 PolarHBondContact O-N 3.43Å
614	V	88.4	Confident	84.4	Confident	79 Å²	79	62.1 Å²	62.1	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-58.6	-38.3	-179.3	-178.9	0	0	0	0	111.5	Q611 R616 V617 N618	Q611-V614 WeakPolarHBondContact O-CB 3.41Å; Q611-V614 PolarHBondContact O-N 3.02Å; Q611-V614 VanDerWaalsContact O-N 3.13Å; V614-R616 VanDerWaalsContact C-N 3.34Å; V614-R616 PolarHBondContact O-N 2.92Å; V614-V617 PolarHBondContact O-N 3.19Å; V614-N618 PolarHBondContact O-N 3.25Å
615	G	85.9	Confident	84.5	Confident	38 Å²	38	65.8 Å²	65.8	39%	0.392	37%	0.373	S	S	.	.	H	α-helix	trans	-62.3	-38.3	176.4	0	0	0	0	0	113.3	V613 K619	V613-G615 PolarHBondContact O-N 2.88Å; G615-K619 WeakPolarHBondContact O-CG 3.39Å; G615-K619 PolarHBondContact O-N 2.92Å
616	R	84	Confident	84.6	Confident	85 Å²	85	69.5 Å²	69.5	32%	0.321	38%	0.378	S	S	.	.	H	α-helix	trans	-71.9	-40.9	176.5	-69.1	-170	-69.5	-85.2	10.6	111.6	D598 S612 V613 V614 N618 K619 L620	D598-R616 VanDerWaalsContact CG-NH2 3.28Å; D598-R616 IonicContact OD1-NH2 3.86Å; D598-R616 PolarHBondContact OD1-NH2 2.88Å; D598-R616 IonicContact OD2-CZ 3.23Å; D598-R616 IonicContact OD2-NE 2.72Å; D598-R616 PolarHBondContact OD2-NE 2.79Å; D598-R616 IonicContact OD2-NH2 2.81Å; D598-R616 PolarHBondContact OD2-NH2 2.79Å; S612-R616 PolarHBondContact O-NH1 3.08Å; V613-R616 PolarHBondContact O-N 2.92Å; V614-R616 VanDerWaalsContact C-N 3.34Å; V614-R616 PolarHBondContact O-N 2.92Å; R616-N618 VanDerWaalsContact C-N 3.34Å; R616-N618 PolarHBondContact O-N 2.89Å; R616-K619 PolarHBondContact O-N 3.06Å; R616-L620 PolarHBondContact O-N 2.95Å
617	V	90.3	Very high	84.4	Confident	45 Å²	45	73.1 Å²	73.1	27%	0.273	39%	0.393	S	S	.	.	H	α-helix	trans	-56.2	-48.4	173.4	174.9	0	0	0	0	110.8	Q595 V613 V614 K619 L620 I621	Q595-V617 VanDerWaalsContact CD-CG2 3.41Å; Q595-V617 VanDerWaalsContact NE2-CG2 3.33Å; V613-V617 HydrophobicContact CG1-CG2 4.24Å; V613-V617 WeakPolarHBondContact O-CG2 3.14Å; V613-V617 PolarHBondContact O-N 3.43Å; V614-V617 PolarHBondContact O-N 3.19Å; V617-K619 VanDerWaalsContact C-N 3.31Å; V617-K619 PolarHBondContact O-N 2.75Å; V617-L620 PolarHBondContact O-N 2.92Å; V617-I621 HydrophobicContact CG1-CD1 3.67Å; V617-I621 HydrophobicContact CG1-CG1 4.28Å; V617-I621 VanDerWaalsContact O-CG1 3.3Å; V617-I621 WeakPolarHBondContact O-CG1 3.36Å; V617-I621 PolarHBondContact O-N 3.1Å
618	N	89.7	Confident	84.5	Confident	90 Å²	90	78.7 Å²	78.7	48%	0.481	42%	0.422	S	S	.	.	H	α-helix	trans	-62.1	-38	-179.6	-72.4	-16.3	0	0	0	112.5	V614 R616 T622	V614-N618 PolarHBondContact O-N 3.25Å; R616-N618 VanDerWaalsContact C-N 3.34Å; R616-N618 PolarHBondContact O-N 2.89Å; N618-T622 WeakPolarHBondContact O-CB 3.45Å; N618-T622 PolarHBondContact O-N 2.84Å; N618-T622 PolarHBondContact O-OG1 2.91Å
619	K	87	Confident	84.4	Confident	148 Å²	148	79.7 Å²	79.7	64%	0.643	43%	0.429	S	S	*	.	H	α-helix	trans	-64.9	-46.8	174.7	-72.2	177.3	-178.6	-177.2	0	111.5	G615 R616 V617 I621 T622 E623	G615-K619 WeakPolarHBondContact O-CG 3.39Å; G615-K619 PolarHBondContact O-N 2.92Å; R616-K619 PolarHBondContact O-N 3.06Å; V617-K619 VanDerWaalsContact C-N 3.31Å; V617-K619 PolarHBondContact O-N 2.75Å; K619-I621 PolarHBondContact O-N 2.88Å; K619-T622 WeakPolarHBondContact O-CB 3.24Å; K619-T622 PolarHBondContact O-N 2.83Å; K619-E623 PolarHBondContact O-N 3.07Å
620	L	88.9	Confident	83.2	Confident	29 Å²	29	85.5 Å²	85.5	15%	0.152	46%	0.46	C	S	.	.	H	α-helix	trans	-60.1	-45.7	177	175.9	62.7	0	0	0	111.6	A591 I592 Q595 R616 V617 T622 E623 V624	A591-L620 HydrophobicContact CB-CD1 3.78Å; I592-L620 HydrophobicContact CG1-CD1 3.99Å; Q595-L620 HydrophobicContact CB-CD2 3.82Å; Q595-L620 HydrophobicContact CG-CD2 3.91Å; R616-L620 PolarHBondContact O-N 2.95Å; V617-L620 PolarHBondContact O-N 2.92Å; L620-T622 VanDerWaalsContact C-N 3.3Å; L620-T622 PolarHBondContact O-N 2.88Å; L620-E623 PolarHBondContact O-N 2.76Å; L620-V624 HydrophobicContact CD1-CG2 3.97Å; L620-V624 HydrophobicContact CG-CG2 4.45Å; L620-V624 WeakPolarHBondContact O-CB 3.3Å; L620-V624 VanDerWaalsContact O-CG2 3.27Å; L620-V624 WeakPolarHBondContact O-CG2 3.29Å; L620-V624 PolarHBondContact O-N 2.65Å
621	I	90.3	Very high	83.3	Confident	90 Å²	90	85.7 Å²	85.7	46%	0.462	46%	0.458	S	S	.	.	H	α-helix	trans	-58.1	-46.3	175.8	-68.4	169.2	0	0	0	110.2	V617 K619 V624 V625	V617-I621 HydrophobicContact CG1-CD1 3.67Å; V617-I621 HydrophobicContact CG1-CG1 4.28Å; V617-I621 VanDerWaalsContact O-CG1 3.3Å; V617-I621 WeakPolarHBondContact O-CG1 3.36Å; V617-I621 PolarHBondContact O-N 3.1Å; K619-I621 PolarHBondContact O-N 2.88Å; I621-V624 PolarHBondContact O-N 2.93Å; I621-V625 HydrophobicContact CG2-CG2 4.21Å; I621-V625 WeakPolarHBondContact O-CB 3.11Å; I621-V625 WeakPolarHBondContact O-CG2 3.48Å; I621-V625 PolarHBondContact O-N 2.79Å
622	T	88.7	Confident	83.3	Confident	73 Å²	73	81.8 Å²	81.8	45%	0.448	44%	0.443	S	S	.	.	H	α-helix	trans	-61.3	-46.8	179.8	-56.2	0	0	0	0	111.5	N618 K619 L620 V625 H626	N618-T622 WeakPolarHBondContact O-CB 3.45Å; N618-T622 PolarHBondContact O-N 2.84Å; N618-T622 PolarHBondContact O-OG1 2.91Å; K619-T622 WeakPolarHBondContact O-CB 3.24Å; K619-T622 PolarHBondContact O-N 2.83Å; L620-T622 VanDerWaalsContact C-N 3.3Å; L620-T622 PolarHBondContact O-N 2.88Å; T622-V625 PolarHBondContact O-N 3.44Å; T622-H626 PolarHBondContact O-CD2 2.95Å; T622-H626 PolarHBondContact O-N 2.74Å
623	E	84.9	Confident	83.5	Confident	70 Å²	70	84.2 Å²	84.2	33%	0.327	45%	0.453	S	S	.	.	H	α-helix	trans	-62.3	-43.8	177.7	-74.4	-175.4	-171.2	0	0	112.6	K619 L620 H626 K627	K619-E623 PolarHBondContact O-N 3.07Å; L620-E623 PolarHBondContact O-N 2.76Å; E623-H626 PolarHBondContact O-N 3.49Å; E623-K627 WeakPolarHBondContact O-CG 3.48Å; E623-K627 PolarHBondContact O-N 3.07Å; E623-K627 VanDerWaalsContact O-N 3.16Å
624	V	85.6	Confident	83.3	Confident	55 Å²	55	88.8 Å²	88.8	33%	0.333	48%	0.477	S	S	.	.	H	α-helix	trans	-64.9	-44.3	178.4	172	0	0	0	0	110.6	L620 I621 H626 K627 L628	L620-V624 HydrophobicContact CD1-CG2 3.97Å; L620-V624 HydrophobicContact CG-CG2 4.45Å; L620-V624 WeakPolarHBondContact O-CB 3.3Å; L620-V624 VanDerWaalsContact O-CG2 3.27Å; L620-V624 WeakPolarHBondContact O-CG2 3.29Å; L620-V624 PolarHBondContact O-N 2.65Å; I621-V624 PolarHBondContact O-N 2.93Å; V624-H626 PolarHBondContact O-N 3.44Å; V624-K627 PolarHBondContact O-N 2.94Å; V624-L628 HydrophobicContact CG1-CD1 4Å; V624-L628 HydrophobicContact CG1-CG 4.44Å; V624-L628 WeakPolarHBondContact O-CG 3.42Å; V624-L628 PolarHBondContact O-N 2.83Å
625	V	87.3	Confident	83	Confident	77 Å²	77	89.4 Å²	89.4	47%	0.467	48%	0.477	S	S	.	.	H	α-helix	trans	-63	-42.8	178.5	169.7	0	0	0	0	111.9	I621 T622 K627 L628 S629	I621-V625 HydrophobicContact CG2-CG2 4.21Å; I621-V625 WeakPolarHBondContact O-CB 3.11Å; I621-V625 WeakPolarHBondContact O-CG2 3.48Å; I621-V625 PolarHBondContact O-N 2.79Å; T622-V625 PolarHBondContact O-N 3.44Å; V625-K627 VanDerWaalsContact C-N 3.25Å; V625-K627 PolarHBondContact O-N 2.63Å; V625-L628 PolarHBondContact O-N 3.48Å; V625-S629 PolarHBondContact O-N 2.73Å; V625-S629 PolarHBondContact O-OG 2.81Å
626	H	84	Confident	82.8	Confident	122 Å²	122	92.9 Å²	92.9	57%	0.565	48%	0.483	S	S	*	.	H	α-helix	trans	-60.8	-35.8	175.7	-81.7	-58.3	0	0	0	112.5	T622 E623 V624 S629 N630	T622-H626 PolarHBondContact O-CD2 2.95Å; T622-H626 PolarHBondContact O-N 2.74Å; E623-H626 PolarHBondContact O-N 3.49Å; V624-H626 PolarHBondContact O-N 3.44Å; H626-S629 PolarHBondContact O-N 3.08Å; H626-N630 PolarHBondContact O-ND2 3.42Å
627	K	79.6	Confident	82.7	Confident	86 Å²	86	93.4 Å²	93.4	37%	0.374	49%	0.494	S	S	.	.	H	α-helix	trans	-81.3	-16.6	179.4	-71.2	178.5	174.4	-179.6	0	114.3	D585 V588 E623 V624 V625	D585-K627 IonicContact OD1-NZ 3.43Å; D585-K627 PolarHBondContact OD1-NZ 2.8Å; D585-K627 VanDerWaalsContact OD2-CD 3.22Å; D585-K627 WeakPolarHBondContact OD2-CD 3.25Å; D585-K627 VanDerWaalsContact OD2-CE 3.29Å; D585-K627 WeakPolarHBondContact OD2-CE 3.3Å; D585-K627 IonicContact OD2-NZ 3.64Å; D585-K627 PolarHBondContact OD2-NZ 3.33Å; V588-K627 HydrophobicContact CG2-CD 3.65Å; E623-K627 WeakPolarHBondContact O-CG 3.48Å; E623-K627 PolarHBondContact O-N 3.07Å; E623-K627 VanDerWaalsContact O-N 3.16Å; V624-K627 PolarHBondContact O-N 2.94Å; V625-K627 VanDerWaalsContact C-N 3.25Å; V625-K627 PolarHBondContact O-N 2.63Å
628	L	80.2	Confident	82.1	Confident	138 Å²	138	97.2 Å²	97.2	72%	0.723	51%	0.512	S	S	*	.	H	α-helix	trans	-83.1	-18.2	170.1	-70.3	170.8	0	0	0	112.6	V624 V625	V624-L628 HydrophobicContact CG1-CD1 4Å; V624-L628 HydrophobicContact CG1-CG 4.44Å; V624-L628 WeakPolarHBondContact O-CG 3.42Å; V624-L628 PolarHBondContact O-N 2.83Å; V625-L628 PolarHBondContact O-N 3.48Å
629	S	69.3	Low	81.5	Confident	92 Å²	92	97.8 Å²	97.8	64%	0.643	51%	0.514	S	S	*	.			trans	-88.2	-9	179.7	-57.7	0	0	0	0	113.4	V625 H626	V625-S629 PolarHBondContact O-N 2.73Å; V625-S629 PolarHBondContact O-OG 2.81Å; H626-S629 PolarHBondContact O-N 3.08Å
630	N	52.6	Low	81	Confident	193 Å²	193	93.2 Å²	93.2	100%	1.032	50%	0.502	S	S	*	.			trans	-110.4	0	172.2	-64.1	-35.9	0	0	0	109.2	H626	H626-N630 PolarHBondContact O-ND2 3.42Å

Retrieved 630 of 630 residues in 683.5 ms (Link to these results)

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