A0A096NEJ2_PAPAN Loading...

Leucine rich repeat transmembrane neuronal 2

AlphaFold DB (O43300), UniProt , Accession A0A096NEJ2, Species PAPAN (Papio anubis, Olive baboon), Gene LRRTM2, Length 516 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	39.3	Very low	46.7	Very low	249 Å²	249	144.9 Å²	144.9	100%	1.227	77%	0.772	S	S	*	*				0	105.4	0	-59.6	-172.3	-170.6	0	0	105.9
2	G	38.3	Very low	47.8	Very low	75 Å²	75	141.5 Å²	141.5	77%	0.773	76%	0.764	S	S	*	*				99.7	89	50.3	0	0	0	0	0	107.8
3	L	42.6	Very low	48.4	Very low	153 Å²	153	139.5 Å²	139.5	80%	0.801	75%	0.749	S	S	*	*			trans	-141.7	81.2	164.9	-92.8	162.9	0	0	0	108.9	F5	L3-F5 HydrophobicContact CD2-CD2 3.93Å; L3-F5 HydrophobicContact CD2-CE2 3.86Å; L3-F5 PolarHBondContact O-N 3.13Å
4	H	39.6	Very low	49.6	Very low	186 Å²	186	137.5 Å²	137.5	86%	0.861	74%	0.737	S	S	*	*			trans	-69.4	108.9	157.6	-108.7	-85	0	0	0	107.6
5	F	48.7	Very low	50.9	Low	154 Å²	154	132.3 Å²	132.3	68%	0.675	72%	0.72	S	S	*	*			trans	-107.8	100.2	163.7	-108.8	-83.2	0	0	0	109.1	L3 W7	L3-F5 HydrophobicContact CD2-CD2 3.93Å; L3-F5 HydrophobicContact CD2-CE2 3.86Å; L3-F5 PolarHBondContact O-N 3.13Å; F5-W7 AromaticContact CD1-CD1 3.69Å; F5-W7 AromaticContact CD1-NE1 3.54Å; F5-W7 PolarHBondContact O-N 3.44Å
6	K	44	Very low	52.3	Low	193 Å²	193	127.4 Å²	127.4	84%	0.839	70%	0.704	S	S	*	*			trans	-67	111.6	158.6	-76.2	179.7	173.7	-179.6	0	107
7	W	50.5	Low	53.6	Low	214 Å²	214	126.2 Å²	126.2	81%	0.811	69%	0.694	S	S	*	*			trans	-97.8	123	162.7	-86.7	30.3	0	0	0	108.4	F5 L9	F5-W7 AromaticContact CD1-CD1 3.69Å; F5-W7 AromaticContact CD1-NE1 3.54Å; F5-W7 PolarHBondContact O-N 3.44Å; W7-L9 PolarHBondContact O-N 2.74Å
8	P	51.1	Low	54.9	Low	119 Å²	119	128.3 Å²	128.3	77%	0.773	69%	0.692	S	S	*	*			trans	-71.3	125.3	170.7	31	-28.2	0	0	0	107	G10	P8-G10 PolarHBondContact O-N 3.18Å
9	L	48.5	Very low	56	Low	137 Å²	137	124.4 Å²	124.4	72%	0.717	68%	0.678	S	S	*	*			trans	-61.6	86.1	167.6	-83.9	148.3	0	0	0	108.1	W7 M13	W7-L9 PolarHBondContact O-N 2.74Å; L9-M13 HydrophobicContact CD2-SD 3.83Å
10	G	51.8	Low	56.8	Low	34 Å²	34	125.1 Å²	125.1	35%	0.351	68%	0.679	S	S	.	*			trans	-67.5	143.4	177.1	0	0	0	0	0	110.4	P8 P12 M13	P8-G10 PolarHBondContact O-N 3.18Å; G10-P12 VanDerWaalsContact O-CD 3.23Å; G10-P12 WeakPolarHBondContact O-CD 3.45Å; G10-M13 PolarHBondContact O-N 3.38Å
11	A	58.7	Low	57.5	Low	80 Å²	80	121.1 Å²	121.1	66%	0.661	66%	0.66	S	S	*	*	H	α-helix	trans	-33.6	-36.5	171.3	0	0	0	0	0	117	M13 L14 A15	A11-M13 VanDerWaalsContact C-N 3.29Å; A11-M13 PolarHBondContact O-N 2.97Å; A11-L14 PolarHBondContact O-N 3.25Å; A11-A15 PolarHBondContact O-N 3.02Å; A11-A15 VanDerWaalsContact O-N 3.1Å
12	P	60	Low	59	Low	104 Å²	104	114.1 Å²	114.1	68%	0.675	63%	0.626	S	S	*	*	H	α-helix	trans	-60.2	-30.4	176.9	20.3	-35.6	0	0	0	115	G10 A16	G10-P12 VanDerWaalsContact O-CD 3.23Å; G10-P12 WeakPolarHBondContact O-CD 3.45Å; P12-A16 WeakPolarHBondContact O-CB 3.08Å; P12-A16 PolarHBondContact O-N 3.35Å
13	M	55.5	Low	60.3	Low	115 Å²	115	114.6 Å²	114.6	57%	0.567	61%	0.614	S	S	*	*	H	α-helix	trans	-77.5	-36.4	-177.2	-156.5	-176.3	-175.2	0	0	112.1	L9 G10 A11 A16 I17	L9-M13 HydrophobicContact CD2-SD 3.83Å; G10-M13 PolarHBondContact O-N 3.38Å; A11-M13 VanDerWaalsContact C-N 3.29Å; A11-M13 PolarHBondContact O-N 2.97Å; M13-A16 PolarHBondContact O-N 2.83Å; M13-I17 WeakPolarHBondContact O-CG1 3.35Å; M13-I17 PolarHBondContact O-N 3.31Å; M13-I17 VanDerWaalsContact O-N 3.14Å
14	L	65.6	Low	61.2	Low	112 Å²	112	113.6 Å²	113.6	59%	0.586	61%	0.608	S	S	*	*	H	α-helix	trans	-68.3	-37.7	172.4	-77.6	165.3	0	0	0	111.4	A11 I17 Y18	A11-L14 PolarHBondContact O-N 3.25Å; L14-I17 PolarHBondContact O-N 2.88Å; L14-Y18 WeakPolarHBondContact O-CB 3.28Å; L14-Y18 PolarHBondContact O-N 3.22Å
15	A	69.7	Low	62.1	Low	59 Å²	59	112.4 Å²	112.4	49%	0.488	60%	0.601	S	S	.	*	H	α-helix	trans	-64.1	-39.4	174.3	0	0	0	0	0	112.3	A11 Y18 A19	A11-A15 PolarHBondContact O-N 3.02Å; A11-A15 VanDerWaalsContact O-N 3.1Å; A15-Y18 PolarHBondContact O-N 3.3Å; A15-A19 VanDerWaalsContact O-CB 3.28Å; A15-A19 WeakPolarHBondContact O-CB 3.43Å; A15-A19 PolarHBondContact O-N 2.94Å
16	A	72.3	Confident	62.4	Low	55 Å²	55	112.4 Å²	112.4	46%	0.455	60%	0.604	S	S	.	*	H	α-helix	trans	-66.3	-39.8	176.3	0	0	0	0	0	112.7	P12 M13 A19 M20	P12-A16 WeakPolarHBondContact O-CB 3.08Å; P12-A16 PolarHBondContact O-N 3.35Å; M13-A16 PolarHBondContact O-N 2.83Å; A16-A19 PolarHBondContact O-N 2.76Å; A16-M20 WeakPolarHBondContact O-CB 3.41Å; A16-M20 WeakPolarHBondContact O-CG 3.49Å; A16-M20 PolarHBondContact O-N 3.36Å
17	I	74.7	Confident	62.6	Low	106 Å²	106	107.8 Å²	107.8	54%	0.544	59%	0.589	S	S	.	*	H	α-helix	trans	-67.8	-39.7	175.2	-64.9	166.2	0	0	0	110.5	M13 L14 M20 S21	M13-I17 WeakPolarHBondContact O-CG1 3.35Å; M13-I17 PolarHBondContact O-N 3.31Å; M13-I17 VanDerWaalsContact O-N 3.14Å; L14-I17 PolarHBondContact O-N 2.88Å; I17-M20 PolarHBondContact O-N 3.22Å; I17-S21 VanDerWaalsContact O-CB 3.23Å; I17-S21 WeakPolarHBondContact O-CB 3.44Å; I17-S21 PolarHBondContact O-N 3.48Å
18	Y	77.5	Confident	62.4	Low	165 Å²	165	102.4 Å²	102.4	65%	0.647	58%	0.581	S	S	*	*	H	α-helix	trans	-66.1	-39.1	174.6	-121.8	-90.2	0	0	0	112.2	L14 A15 S21 M22	L14-Y18 WeakPolarHBondContact O-CB 3.28Å; L14-Y18 PolarHBondContact O-N 3.22Å; A15-Y18 PolarHBondContact O-N 3.3Å; Y18-S21 PolarHBondContact O-N 3.25Å; Y18-M22 WeakPolarHBondContact O-CB 3.32Å; Y18-M22 WeakPolarHBondContact O-CG 3.46Å; Y18-M22 PolarHBondContact O-N 2.73Å
19	A	74.9	Confident	62	Low	53 Å²	53	101 Å²	101	44%	0.438	58%	0.58	S	S	.	*	H	α-helix	trans	-66.1	-43.1	175.1	0	0	0	0	0	111.5	A15 A16 M22 V23	A15-A19 VanDerWaalsContact O-CB 3.28Å; A15-A19 WeakPolarHBondContact O-CB 3.43Å; A15-A19 PolarHBondContact O-N 2.94Å; A16-A19 PolarHBondContact O-N 2.76Å; A19-M22 PolarHBondContact O-N 3.07Å; A19-V23 WeakPolarHBondContact O-CB 3.4Å; A19-V23 VanDerWaalsContact O-CG2 3.22Å; A19-V23 WeakPolarHBondContact O-CG2 3.48Å; A19-V23 PolarHBondContact O-N 3.29Å
20	M	73.3	Confident	61.9	Low	139 Å²	139	101.8 Å²	101.8	69%	0.685	58%	0.584	S	S	*	*	H	α-helix	trans	-65.7	-38.7	174.3	-77.7	-70.4	-81.1	0	0	112.3	A16 I17 V23 L24	A16-M20 WeakPolarHBondContact O-CB 3.41Å; A16-M20 WeakPolarHBondContact O-CG 3.49Å; A16-M20 PolarHBondContact O-N 3.36Å; I17-M20 PolarHBondContact O-N 3.22Å; M20-V23 PolarHBondContact O-N 3.21Å; M20-L24 VanDerWaalsContact O-CB 3.25Å; M20-L24 WeakPolarHBondContact O-CB 3.4Å; M20-L24 PolarHBondContact O-N 3.05Å
21	S	71.8	Confident	61.8	Low	42 Å²	42	103 Å²	103	29%	0.294	60%	0.596	S	S	.	*	H	α-helix	trans	-63	-42.6	172.7	164.3	0	0	0	0	112	I17 Y18 L24 K25	I17-S21 VanDerWaalsContact O-CB 3.23Å; I17-S21 WeakPolarHBondContact O-CB 3.44Å; I17-S21 PolarHBondContact O-N 3.48Å; Y18-S21 PolarHBondContact O-N 3.25Å; S21-L24 PolarHBondContact O-N 2.75Å; S21-K25 WeakPolarHBondContact O-CB 3.46Å; S21-K25 VanDerWaalsContact O-CG 3.29Å; S21-K25 WeakPolarHBondContact O-CG 3.17Å; S21-K25 PolarHBondContact O-N 3.35Å
22	M	69.9	Low	61.9	Low	102 Å²	102	102.7 Å²	102.7	50%	0.502	58%	0.582	S	S	.	*	H	α-helix	trans	-68.9	-41.6	175.5	-78.7	-63.6	-161.9	0	0	111.6	Y18 A19 L24 K25 M26	Y18-M22 WeakPolarHBondContact O-CB 3.32Å; Y18-M22 WeakPolarHBondContact O-CG 3.46Å; Y18-M22 PolarHBondContact O-N 2.73Å; A19-M22 PolarHBondContact O-N 3.07Å; M22-L24 VanDerWaalsContact C-N 3.32Å; M22-L24 PolarHBondContact O-N 2.94Å; M22-K25 CarbonylContact O-C 3.52Å; M22-K25 PolarHBondContact O-N 3.14Å; M22-M26 WeakPolarHBondContact O-CB 3.44Å; M22-M26 WeakPolarHBondContact O-CG 3.48Å; M22-M26 PolarHBondContact O-N 3.06Å
23	V	65.8	Low	62.6	Low	85 Å²	85	100.1 Å²	100.1	52%	0.515	57%	0.569	S	S	.	*	H	α-helix	trans	-62.4	-41.2	173.9	171	0	0	0	0	110.3	A19 M20 K25 M26 L27	A19-V23 WeakPolarHBondContact O-CB 3.4Å; A19-V23 VanDerWaalsContact O-CG2 3.22Å; A19-V23 WeakPolarHBondContact O-CG2 3.48Å; A19-V23 PolarHBondContact O-N 3.29Å; M20-V23 PolarHBondContact O-N 3.21Å; V23-K25 VanDerWaalsContact C-N 3.33Å; V23-K25 PolarHBondContact O-N 2.76Å; V23-M26 CarbonylContact O-C 3.46Å; V23-M26 PolarHBondContact O-N 3.16Å; V23-L27 HydrophobicContact CG1-CD1 4.06Å; V23-L27 VanDerWaalsContact O-CD1 3.3Å; V23-L27 WeakPolarHBondContact O-CD1 3.04Å; V23-L27 PolarHBondContact O-N 2.9Å
24	L	61.8	Low	64	Low	132 Å²	132	97 Å²	97	69%	0.691	56%	0.559	S	S	*	*	H	α-helix	trans	-68.7	-29.1	176.7	-162.6	70.2	0	0	0	113.1	M20 S21 M22	M20-L24 VanDerWaalsContact O-CB 3.25Å; M20-L24 WeakPolarHBondContact O-CB 3.4Å; M20-L24 PolarHBondContact O-N 3.05Å; S21-L24 PolarHBondContact O-N 2.75Å; M22-L24 VanDerWaalsContact C-N 3.32Å; M22-L24 PolarHBondContact O-N 2.94Å
25	K	57.9	Low	65	Low	161 Å²	161	92.1 Å²	92.1	70%	0.7	53%	0.533	S	S	*	.	H	α-helix	trans	-81.9	-18.5	172	-73.5	177.9	-179.6	-175.5	0	113.7	S21 M22 V23	S21-K25 WeakPolarHBondContact O-CB 3.46Å; S21-K25 VanDerWaalsContact O-CG 3.29Å; S21-K25 WeakPolarHBondContact O-CG 3.17Å; S21-K25 PolarHBondContact O-N 3.35Å; M22-K25 CarbonylContact O-C 3.52Å; M22-K25 PolarHBondContact O-N 3.14Å; V23-K25 VanDerWaalsContact C-N 3.33Å; V23-K25 PolarHBondContact O-N 2.76Å
26	M	54.3	Low	65.9	Low	153 Å²	153	94.4 Å²	94.4	75%	0.754	54%	0.543	S	S	*	.	H	α-helix	trans	-103.2	-9.1	179	-65.6	-71.9	-86.4	0	0	112.8	M22 V23 P28	M22-M26 WeakPolarHBondContact O-CB 3.44Å; M22-M26 WeakPolarHBondContact O-CG 3.48Å; M22-M26 PolarHBondContact O-N 3.06Å; V23-M26 CarbonylContact O-C 3.46Å; V23-M26 PolarHBondContact O-N 3.16Å; M26-P28 WeakPolarHBondContact O-CD 3Å
27	L	49.7	Very low	66.8	Low	97 Å²	97	98.8 Å²	98.8	51%	0.508	55%	0.552	S	S	.	*	S	Bend	trans	-58.1	120.9	156.3	-99.7	105	0	0	0	104.9	V23 A29	V23-L27 HydrophobicContact CG1-CD1 4.06Å; V23-L27 VanDerWaalsContact O-CD1 3.3Å; V23-L27 WeakPolarHBondContact O-CD1 3.04Å; V23-L27 PolarHBondContact O-N 2.9Å; L27-A29 PolarHBondContact O-N 3.49Å
28	P	45	Very low	67.7	Low	101 Å²	101	94.7 Å²	94.7	66%	0.656	53%	0.533	S	S	*	.			trans	-53.7	123.9	168.3	25.1	-29.6	0	0	0	103.6	M26 L30	M26-P28 WeakPolarHBondContact O-CD 3Å; P28-L30 PolarHBondContact O-N 3.22Å
29	A	43	Very low	68.5	Low	90 Å²	90	94.7 Å²	94.7	74%	0.744	53%	0.532	S	S	*	.			trans	-40.9	122.3	153.2	0	0	0	0	0	103.5	L27 G31	L27-A29 PolarHBondContact O-N 3.49Å; A29-G31 PolarHBondContact O-N 3.14Å
30	L	47.4	Very low	69.3	Low	152 Å²	152	94.1 Å²	94.1	80%	0.796	52%	0.524	S	S	*	.			trans	-61	74.9	172.8	-103.7	79.4	0	0	0	105.4	P28 M32	P28-L30 PolarHBondContact O-N 3.22Å; L30-M32 PolarHBondContact O-N 2.9Å
31	G	50	Low	70.2	Confident	60 Å²	60	91.1 Å²	91.1	62%	0.619	51%	0.508	S	S	*	.			trans	-78.4	93.5	-178.9	0	0	0	0	0	101.4	A29 A33	A29-G31 PolarHBondContact O-N 3.14Å; G31-A33 VanDerWaalsContact C-N 3.32Å; G31-A33 PolarHBondContact O-N 3.08Å
32	M	60.5	Low	71	Confident	73 Å²	73	97.6 Å²	97.6	36%	0.36	53%	0.531	S	S	.	.			trans	-49.7	102.1	176.5	-56.4	178.7	69.2	0	0	107	L30 C34 K42 L43 F45 D60	L30-M32 PolarHBondContact O-N 2.9Å; M32-C34 PolarHBondContact O-N 2.02Å; M32-K42 WeakPolarHBondContact CE-O 3.37Å; M32-L43 HydrophobicContact CE-CB 4.32Å; M32-L43 HydrophobicContact CE-CD2 3.25Å; M32-L43 HydrophobicContact CE-CG 3.82Å; M32-L43 HydrophobicContact SD-CD2 4.4Å; M32-F45 HydrophobicContact CE-CE1 4.15Å; M32-F45 HydrophobicContact CE-CZ 4.49Å; M32-D60 WeakPolarHBondContact CE-OD2 3.2Å
33	A	74.5	Confident	72.1	Confident	50 Å²	50	95.4 Å²	95.4	41%	0.413	52%	0.521	S	S	.	.			trans	-74.9	98.8	178.6	0	0	0	0	0	106.8	G31 T59	G31-A33 VanDerWaalsContact C-N 3.32Å; G31-A33 PolarHBondContact O-N 3.08Å; A33-T59 VanDerWaalsContact CB-OG1 3.23Å; A33-T59 WeakPolarHBondContact CB-OG1 3.44Å; A33-T59 PolarHBondContact O-OG1 3.44Å
34	C	85.6	Confident	73.4	Confident	50 Å²	50	93.8 Å²	93.8	34%	0.338	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-65.4	131.4	174.7	-170.4	0	0	0	0	109.2	M32 C38 C40	M32-C34 PolarHBondContact O-N 2.02Å; C34-C38 PolarHBondContact SG-O 3.09Å; C34-C40 WeakPolarHBondContact CA-SG 3.24Å; C34-C40 HydrophobicContact CB-CB 3.7Å; C34-C40 WeakPolarHBondContact CB-SG 3.45Å; C34-C40 WeakPolarHBondContact SG-CB 3.25Å; C34-C40 PolarHBondContact SG-N 3.45Å; C34-C40 VanDerWaalsContact SG-N 3.42Å; C34-C40 CovalentContact SG-SG 2.03Å; C34-C40 PolarHBondContact SG-SG 3.01Å
35	P	86.2	Confident	75	Confident	9 Å²	9	87.5 Å²	87.5	6%	0.058	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-59.5	149.4	179.5	-21	30.8	0	0	0	111.9	K37 C38 F45 P56 A58	P35-K37 PolarHBondContact O-N 3.18Å; P35-C38 HydrophobicContact CB-CB 4.31Å; P35-C38 WeakPolarHBondContact O-CB 3.46Å; P35-C38 PolarHBondContact O-N 3.29Å; P35-C38 VanDerWaalsContact O-N 3.09Å; P35-F45 HydrophobicContact CG-CD2 4.43Å; P35-P56 HydrophobicContact CB-CB 4.13Å; P35-A58 HydrophobicContact CG-CB 4.33Å
36	P	88.1	Confident	76.8	Confident	107 Å²	107	83.1 Å²	83.1	70%	0.695	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	139.2	178.4	-23.8	33.1	0	0	0	111.7	C38	P36-C38 PolarHBondContact O-N 2.8Å
37	K	91.6	Very high	78.7	Confident	148 Å²	148	75.9 Å²	75.9	64%	0.643	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	0.7	-176.4	-51.6	-177.6	175.7	-179.8	0	116.2	P35 Q50 F52	P35-K37 PolarHBondContact O-N 3.18Å; K37-Q50 HydrophobicContact CB-CB 4.44Å; K37-Q50 HydrophobicContact CB-CG 4.02Å; K37-Q50 VanDerWaalsContact O-CD 3.28Å; K37-Q50 WeakPolarHBondContact O-CG 3.39Å; K37-F52 HydrophobicContact CB-CZ 4.27Å
38	C	93.5	Very high	81	Confident	20 Å²	20	73.2 Å²	73.2	14%	0.135	41%	0.406	C	S	.	.			trans	-94.8	153.7	176.1	-56.9	0	0	0	0	111.9	C34 P35 P36 Y46 C47	C34-C38 PolarHBondContact SG-O 3.09Å; P35-C38 HydrophobicContact CB-CB 4.31Å; P35-C38 WeakPolarHBondContact O-CB 3.46Å; P35-C38 PolarHBondContact O-N 3.29Å; P35-C38 VanDerWaalsContact O-N 3.09Å; P36-C38 PolarHBondContact O-N 2.8Å; C38-Y46 WeakPolarHBondContact CA-O 3.48Å; C38-C47 HydrophobicContact CB-CB 4.09Å; C38-C47 WeakPolarHBondContact CB-SG 3.45Å; C38-C47 VanDerWaalsContact SG-CA 3.53Å; C38-C47 WeakPolarHBondContact SG-CB 3.03Å; C38-C47 CovalentContact SG-SG 2.03Å; C38-C47 PolarHBondContact SG-SG 3.18Å
39	R	93.1	Very high	83.4	Confident	165 Å²	165	72.2 Å²	72.2	62%	0.623	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.3	168.2	171.2	-175.7	174.5	178.8	3.1	108.4	E41 Y46	R39-E41 IonicContact CZ-OE1 2.6Å; R39-E41 IonicContact NE-OE1 2.86Å; R39-E41 PolarHBondContact NE-OE1 3.39Å; R39-E41 IonicContact NH2-OE1 3.05Å; R39-E41 PolarHBondContact NH2-OE1 2.92Å; R39-Y46 PolarHBondContact N-O 3.06Å; R39-Y46 WeakPolarHBondContact O-CA 3.32Å; R39-Y46 WeakPolarHBondContact O-CB 2.99Å; R39-Y46 PolarHBondContact O-N 3.08Å
40	C	92	Very high	85.9	Confident	40 Å²	40	71.6 Å²	71.6	27%	0.27	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.6	178.7	-57.9	0	0	0	0	111.1	C34 L44 F45	C34-C40 WeakPolarHBondContact CA-SG 3.24Å; C34-C40 HydrophobicContact CB-CB 3.7Å; C34-C40 WeakPolarHBondContact CB-SG 3.45Å; C34-C40 WeakPolarHBondContact SG-CB 3.25Å; C34-C40 PolarHBondContact SG-N 3.45Å; C34-C40 VanDerWaalsContact SG-N 3.42Å; C34-C40 CovalentContact SG-SG 2.03Å; C34-C40 PolarHBondContact SG-SG 3.01Å; C40-L44 WeakPolarHBondContact CA-O 3.45Å; C40-F45 HydrophobicContact CB-CD1 3.8Å; C40-F45 HydrophobicContact CB-CE1 4.07Å; C40-F45 WeakPolarHBondContact SG-CD1 3.27Å
41	E	92	Very high	88.2	Confident	77 Å²	77	65.5 Å²	65.5	36%	0.36	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	96.8	175.6	-63	-171.1	165.4	0	0	109.1	R39 L43 L44 Y46	R39-E41 IonicContact CZ-OE1 2.6Å; R39-E41 IonicContact NE-OE1 2.86Å; R39-E41 PolarHBondContact NE-OE1 3.39Å; R39-E41 IonicContact NH2-OE1 3.05Å; R39-E41 PolarHBondContact NH2-OE1 2.92Å; E41-L43 PolarHBondContact O-N 3.33Å; E41-L43 VanDerWaalsContact O-N 3.16Å; E41-L44 PolarHBondContact N-O 3.49Å; E41-L44 WeakPolarHBondContact O-CB 3.46Å; E41-L44 WeakPolarHBondContact O-CD1 3.3Å; E41-L44 PolarHBondContact O-N 3.17Å; E41-Y46 HydrophobicContact CB-CE2 4.28Å; E41-Y46 HydrophobicContact CG-CD2 4.47Å; E41-Y46 HydrophobicContact CG-CE2 4.13Å
42	K	89	Confident	90.4	Very high	178 Å²	178	64.4 Å²	64.4	77%	0.774	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	-124	-166.9	-53.9	175.6	-179.6	177.1	0	108.5	M32 L44	M32-K42 WeakPolarHBondContact CE-O 3.37Å; K42-L44 VanDerWaalsContact C-N 3.31Å; K42-L44 PolarHBondContact O-N 3.04Å
43	L	92.4	Very high	92.1	Very high	56 Å²	56	67.4 Å²	67.4	29%	0.293	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	12.7	-177.5	-61.4	164.2	0	0	0	113.7	M32 E41 G62 S63 L64 G65	M32-L43 HydrophobicContact CE-CB 4.32Å; M32-L43 HydrophobicContact CE-CD2 3.25Å; M32-L43 HydrophobicContact CE-CG 3.82Å; M32-L43 HydrophobicContact SD-CD2 4.4Å; E41-L43 PolarHBondContact O-N 3.33Å; E41-L43 VanDerWaalsContact O-N 3.16Å; L43-G62 WeakPolarHBondContact CD2-O 3.33Å; L43-S63 CarbonylContact O-C 3.48Å; L43-S63 WeakPolarHBondContact O-CA 3.49Å; L43-L64 HydrophobicContact CB-CB 4.18Å; L43-L64 HydrophobicContact CB-CD1 4.12Å; L43-L64 HydrophobicContact CB-CG 3.84Å; L43-L64 HydrophobicContact CD1-CD1 3.83Å; L43-L64 HydrophobicContact CD1-CG 3.92Å; L43-L64 PolarHBondContact O-N 2.91Å; L43-G65 PolarHBondContact O-N 2.88Å
44	L	94.5	Very high	93	Very high	50 Å²	50	68.5 Å²	68.5	26%	0.262	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.6	178.7	-60.8	85.5	0	0	0	109.3	C40 E41 K42 Y46 W89	C40-L44 WeakPolarHBondContact CA-O 3.45Å; E41-L44 PolarHBondContact N-O 3.49Å; E41-L44 WeakPolarHBondContact O-CB 3.46Å; E41-L44 WeakPolarHBondContact O-CD1 3.3Å; E41-L44 PolarHBondContact O-N 3.17Å; K42-L44 VanDerWaalsContact C-N 3.31Å; K42-L44 PolarHBondContact O-N 3.04Å; L44-Y46 HydrophobicContact CB-CE2 3.83Å; L44-W89 HydrophobicContact CB-CZ2 4.28Å; L44-W89 HydrophobicContact CD2-CZ2 3.99Å; L44-W89 HydrophobicContact CG-CZ2 4.33Å
45	F	94.3	Very high	93.3	Very high	1 Å²	1	66.4 Å²	66.4	0%	0.004	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	117.5	-174.9	-63.1	-4.2	0	0	0	110.3	M32 P35 C40 A58 D60 G65 L66 S67	M32-F45 HydrophobicContact CE-CE1 4.15Å; M32-F45 HydrophobicContact CE-CZ 4.49Å; P35-F45 HydrophobicContact CG-CD2 4.43Å; C40-F45 HydrophobicContact CB-CD1 3.8Å; C40-F45 HydrophobicContact CB-CE1 4.07Å; C40-F45 WeakPolarHBondContact SG-CD1 3.27Å; F45-A58 HydrophobicContact CE2-CB 4.37Å; F45-D60 HydrophobicContact CE2-CB 4.27Å; F45-D60 HydrophobicContact CZ-CB 3.96Å; F45-G65 PolarHBondContact N-O 3.31Å; F45-L66 HydrophobicContact CB-CD1 4.03Å; F45-L66 WeakPolarHBondContact O-CA 3.34Å; F45-S67 PolarHBondContact O-N 2.98Å
46	Y	95.8	Very high	93.4	Very high	68 Å²	68	66.9 Å²	66.9	27%	0.267	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	99.2	178.9	-57.9	-85.9	0	0	0	109.5	C38 R39 E41 L44 W89	C38-Y46 WeakPolarHBondContact CA-O 3.48Å; R39-Y46 PolarHBondContact N-O 3.06Å; R39-Y46 WeakPolarHBondContact O-CA 3.32Å; R39-Y46 WeakPolarHBondContact O-CB 2.99Å; R39-Y46 PolarHBondContact O-N 3.08Å; E41-Y46 HydrophobicContact CB-CE2 4.28Å; E41-Y46 HydrophobicContact CG-CD2 4.47Å; E41-Y46 HydrophobicContact CG-CE2 4.13Å; L44-Y46 HydrophobicContact CB-CE2 3.83Å; Y46-W89 HydrophobicContact CD1-CH2 4.43Å; Y46-W89 AromaticContact CE1-CH2 3.96Å; Y46-W89 HydrophobicContact CE1-CH2 3.96Å; Y46-W89 HydrophobicContact CE1-CZ2 4.4Å
47	C	95.6	Very high	93	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.007	35%	0.349	C	S	.	.			trans	-108.4	37	-180	-66	0	0	0	0	110.9	C38 F52 S67 L68 N71	C38-C47 HydrophobicContact CB-CB 4.09Å; C38-C47 WeakPolarHBondContact CB-SG 3.45Å; C38-C47 VanDerWaalsContact SG-CA 3.53Å; C38-C47 WeakPolarHBondContact SG-CB 3.03Å; C38-C47 CovalentContact SG-SG 2.03Å; C38-C47 PolarHBondContact SG-SG 3.18Å; C47-F52 HydrophobicContact CB-CD2 4.28Å; C47-F52 HydrophobicContact CB-CE2 3.83Å; C47-S67 CarbonylContact C-O 3.18Å; C47-S67 WeakPolarHBondContact CA-O 3.32Å; C47-S67 WeakPolarHBondContact CB-O 3.48Å; C47-S67 PolarHBondContact N-O 2.84Å; C47-L68 HydrophobicContact CB-CD2 3.54Å; C47-L68 HydrophobicContact CB-CG 4.46Å; C47-N71 PolarHBondContact O-ND2 3.44Å
48	D	96	Very high	92	Very high	41 Å²	41	62.9 Å²	62.9	22%	0.219	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	147.8	-173.4	-53.2	-49.6	0	0	0	112.2	Q50 S67 L68 R69	D48-Q50 VanDerWaalsContact C-N 3.27Å; D48-Q50 WeakPolarHBondContact O-CG 3.26Å; D48-Q50 PolarHBondContact O-N 2.91Å; D48-Q50 PolarHBondContact O-NE2 2.87Å; D48-S67 VanDerWaalsContact OD1-C 3.24Å; D48-S67 WeakPolarHBondContact OD1-CB 3.5Å; D48-S67 PolarHBondContact OD1-OG 3.06Å; D48-S67 PolarHBondContact OD2-OG 3.33Å; D48-L68 PolarHBondContact OD1-N 3.49Å; D48-R69 CarbonylContact C-O 3.55Å; D48-R69 VanDerWaalsContact CA-O 3.27Å; D48-R69 WeakPolarHBondContact CA-O 3.29Å; D48-R69 HydrophobicContact CB-CB 4.46Å; D48-R69 WeakPolarHBondContact OD1-CB 3.28Å; D48-R69 PolarHBondContact OD1-N 3.41Å
49	S	97	Very high	90.5	Very high	81 Å²	81	67.2 Å²	67.2	57%	0.566	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	32.4	170.6	-50.6	0	0	0	0	115.1	R69 H70	S49-R69 PolarHBondContact N-O 2.94Å; S49-H70 VanDerWaalsContact CA-O 3.3Å; S49-H70 WeakPolarHBondContact CA-O 3.5Å; S49-H70 WeakPolarHBondContact OG-CB 3.49Å
50	Q	95.7	Very high	89.2	Confident	76 Å²	76	61 Å²	61	36%	0.355	33%	0.329	S	S	.	.	S	Bend	trans	-102.2	-4.8	-178.7	-60	-50	-47.5	0	0	113.6	K37 D48 F52 N71	K37-Q50 HydrophobicContact CB-CB 4.44Å; K37-Q50 HydrophobicContact CB-CG 4.02Å; K37-Q50 VanDerWaalsContact O-CD 3.28Å; K37-Q50 WeakPolarHBondContact O-CG 3.39Å; D48-Q50 VanDerWaalsContact C-N 3.27Å; D48-Q50 WeakPolarHBondContact O-CG 3.26Å; D48-Q50 PolarHBondContact O-N 2.91Å; D48-Q50 PolarHBondContact O-NE2 2.87Å; Q50-F52 HydrophobicContact CB-CD2 3.58Å; Q50-F52 HydrophobicContact CB-CE2 3.36Å; Q50-F52 HydrophobicContact CB-CG 4.31Å; Q50-F52 HydrophobicContact CB-CZ 3.96Å; Q50-F52 HydrophobicContact CG-CD2 4.23Å; Q50-F52 HydrophobicContact CG-CE2 3.64Å; Q50-F52 HydrophobicContact CG-CZ 4.31Å; Q50-N71 PolarHBondContact N-OD1 2.91Å
51	G	96	Very high	88.4	Confident	25 Å²	25	66 Å²	66	26%	0.258	35%	0.347	S	S	.	.			trans	71.7	29.6	-175.9	0	0	0	0	0	112.9	N71 H72	G51-N71 PolarHBondContact N-OD1 3.36Å; G51-H72 WeakPolarHBondContact CA-ND1 3.45Å
52	F	95.7	Very high	88	Confident	37 Å²	37	63.4 Å²	63.4	16%	0.162	34%	0.34	C	S	.	.			trans	-64.2	135.1	175.9	-72.4	-61	0	0	0	111.1	K37 C47 Q50 P56 L68 N71 H72 I73	K37-F52 HydrophobicContact CB-CZ 4.27Å; C47-F52 HydrophobicContact CB-CD2 4.28Å; C47-F52 HydrophobicContact CB-CE2 3.83Å; Q50-F52 HydrophobicContact CB-CD2 3.58Å; Q50-F52 HydrophobicContact CB-CE2 3.36Å; Q50-F52 HydrophobicContact CB-CG 4.31Å; Q50-F52 HydrophobicContact CB-CZ 3.96Å; Q50-F52 HydrophobicContact CG-CD2 4.23Å; Q50-F52 HydrophobicContact CG-CE2 3.64Å; Q50-F52 HydrophobicContact CG-CZ 4.31Å; F52-P56 HydrophobicContact CD1-CG 3.97Å; F52-P56 HydrophobicContact CD2-CG 4.02Å; F52-P56 HydrophobicContact CE1-CG 3.8Å; F52-P56 HydrophobicContact CE2-CG 3.85Å; F52-P56 HydrophobicContact CG-CG 4.09Å; F52-P56 HydrophobicContact CZ-CG 3.74Å; F52-L68 HydrophobicContact CD2-CD2 4.4Å; F52-N71 HydrophobicContact CB-CB 4.23Å; F52-N71 PolarHBondContact N-OD1 2.9Å; F52-N71 VanDerWaalsContact N-OD1 3.13Å; F52-H72 CarbonylContact O-C 2.99Å; F52-H72 VanDerWaalsContact O-C 3.27Å; F52-H72 WeakPolarHBondContact O-CA 3.33Å; F52-H72 PolarHBondContact O-N 3.47Å; F52-I73 PolarHBondContact O-N 2.97Å
53	H	95.5	Very high	88.1	Confident	135 Å²	135	54.9 Å²	54.9	63%	0.625	30%	0.303	S	S	*	.	S	Bend	trans	-93.6	-15.4	173.6	-70.3	-82.3	0	0	0	112.9
54	S	93.3	Very high	88.3	Confident	73 Å²	73	55.6 Å²	55.6	51%	0.51	31%	0.307	S	S	.	.	S	Bend	trans	-146.7	166.2	179.2	65.8	0	0	0	0	110
55	V	92.1	Very high	88.4	Confident	6 Å²	6	53.2 Å²	53.2	4%	0.036	29%	0.294	C	S	.	.			trans	-63.4	128.1	174.3	-179.2	0	0	0	0	109.3	L66 L68 Q80 F81 F84	V55-L66 HydrophobicContact CG1-CD2 4.45Å; V55-L68 HydrophobicContact CB-CD1 4.29Å; V55-L68 HydrophobicContact CG1-CD1 4.01Å; V55-L68 HydrophobicContact CG2-CD1 3.88Å; V55-Q80 HydrophobicContact CB-CG 4.1Å; V55-Q80 HydrophobicContact CG2-CG 3.58Å; V55-F81 HydrophobicContact CB-CE1 4.47Å; V55-F81 HydrophobicContact CG1-CD1 4.42Å; V55-F81 HydrophobicContact CG1-CE1 4.09Å; V55-F81 HydrophobicContact CG2-CD1 4.45Å; V55-F81 HydrophobicContact CG2-CE1 3.56Å; V55-F81 HydrophobicContact CG2-CZ 3.71Å; V55-F84 HydrophobicContact CG1-CE2 3.97Å; V55-F84 HydrophobicContact CG1-CZ 4.35Å
56	P	87.8	Confident	88.4	Confident	19 Å²	19	53.3 Å²	53.3	12%	0.123	30%	0.295	C	S	.	.			trans	-62.7	137.2	175.5	-21.7	32.8	0	0	0	111.3	P35 F52 A58 L68	P35-P56 HydrophobicContact CB-CB 4.13Å; F52-P56 HydrophobicContact CD1-CG 3.97Å; F52-P56 HydrophobicContact CD2-CG 4.02Å; F52-P56 HydrophobicContact CE1-CG 3.8Å; F52-P56 HydrophobicContact CE2-CG 3.85Å; F52-P56 HydrophobicContact CG-CG 4.09Å; F52-P56 HydrophobicContact CZ-CG 3.74Å; P56-A58 PolarHBondContact O-N 3.47Å; P56-L68 HydrophobicContact CG-CD2 4.21Å
57	N	80.1	Confident	88.5	Confident	156 Å²	156	50.2 Å²	50.2	83%	0.834	28%	0.283	S	S	*	.			trans	-64.3	107.2	172.2	-71.9	-6.7	0	0	0	109
58	A	70.5	Confident	88.6	Confident	16 Å²	16	50.2 Å²	50.2	13%	0.132	28%	0.283	C	S	.	.			trans	-89.5	129.3	173.9	0	0	0	0	0	110	P35 F45 P56 D60 F84	P35-A58 HydrophobicContact CG-CB 4.33Å; F45-A58 HydrophobicContact CE2-CB 4.37Å; P56-A58 PolarHBondContact O-N 3.47Å; A58-D60 VanDerWaalsContact C-N 3.3Å; A58-F84 HydrophobicContact CB-CD1 4.39Å; A58-F84 HydrophobicContact CB-CE1 3.26Å; A58-F84 HydrophobicContact CB-CZ 3.45Å; A58-F84 VanDerWaalsContact CB-CZ 3.45Å
59	T	61.1	Low	88.7	Confident	110 Å²	110	52.3 Å²	52.3	68%	0.675	29%	0.288	S	S	*	.	S	Bend	trans	-72.3	-25.5	172.3	33	0	0	0	0	112.5	A33	A33-T59 VanDerWaalsContact CB-OG1 3.23Å; A33-T59 WeakPolarHBondContact CB-OG1 3.44Å; A33-T59 PolarHBondContact O-OG1 3.44Å
60	D	66.3	Low	88.8	Confident	34 Å²	34	52.8 Å²	52.8	18%	0.182	28%	0.281	C	S	.	.			trans	-95	113	-178.6	-166.7	-7.7	0	0	0	111.6	M32 F45 A58 G62	M32-D60 WeakPolarHBondContact CE-OD2 3.2Å; F45-D60 HydrophobicContact CE2-CB 4.27Å; F45-D60 HydrophobicContact CZ-CB 3.96Å; A58-D60 VanDerWaalsContact C-N 3.3Å; D60-G62 PolarHBondContact O-N 2.92Å; D60-G62 PolarHBondContact OD1-N 2.85Å
61	K	76.1	Confident	88.9	Confident	147 Å²	147	49.2 Å²	49.2	64%	0.639	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-5.8	178	-61	-176.2	179.5	-178.3	0	113.3	S83	K61-S83 VanDerWaalsContact CA-O 3.25Å; K61-S83 WeakPolarHBondContact CA-O 3.4Å; K61-S83 WeakPolarHBondContact CB-O 3.08Å
62	G	83.9	Confident	89	Confident	21 Å²	21	52.1 Å²	52.1	22%	0.216	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	0.6	-172.6	0	0	0	0	0	115.9	L43 D60 L64	L43-G62 WeakPolarHBondContact CD2-O 3.33Å; D60-G62 PolarHBondContact O-N 2.92Å; D60-G62 PolarHBondContact OD1-N 2.85Å; G62-L64 PolarHBondContact O-N 3.19Å
63	S	91.2	Very high	89.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.263	C	S	.	.			trans	-58.6	132.3	-175.9	69.7	0	0	0	0	111.8	L43 F84 Q86 L87	L43-S63 CarbonylContact O-C 3.48Å; L43-S63 WeakPolarHBondContact O-CA 3.49Å; S63-F84 WeakPolarHBondContact OG-CD1 3.32Å; S63-Q86 CarbonylContact O-C 3.6Å; S63-L87 PolarHBondContact O-N 3.16Å
64	L	95.4	Very high	89.2	Confident	70 Å²	70	47.2 Å²	47.2	37%	0.366	25%	0.254	S	S	.	.	S	Bend	trans	-87.8	-20.9	176.3	-64.6	177.3	0	0	0	112.2	L43 G62 Q86 T88	L43-L64 HydrophobicContact CB-CB 4.18Å; L43-L64 HydrophobicContact CB-CD1 4.12Å; L43-L64 HydrophobicContact CB-CG 3.84Å; L43-L64 HydrophobicContact CD1-CD1 3.83Å; L43-L64 HydrophobicContact CD1-CG 3.92Å; L43-L64 PolarHBondContact O-N 2.91Å; G62-L64 PolarHBondContact O-N 3.19Å; L64-Q86 HydrophobicContact CD2-CB 4.27Å; L64-T88 HydrophobicContact CD2-CG2 4.4Å; L64-T88 WeakPolarHBondContact O-CB 3.22Å; L64-T88 PolarHBondContact O-N 2.73Å; L64-T88 PolarHBondContact O-OG1 3.48Å
65	G	96	Very high	89.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	139.4	-176	0	0	0	0	0	112.4	L43 F45 W89	L43-G65 PolarHBondContact O-N 2.88Å; F45-G65 PolarHBondContact N-O 3.31Å; G65-W89 VanDerWaalsContact CA-CZ2 3.43Å
66	L	96	Very high	89.7	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	120.4	-178.8	177.6	61.9	0	0	0	110	F45 V55 L68 F81 F84 L87 W89 L90 H91	F45-L66 HydrophobicContact CB-CD1 4.03Å; F45-L66 WeakPolarHBondContact O-CA 3.34Å; V55-L66 HydrophobicContact CG1-CD2 4.45Å; L66-L68 HydrophobicContact CD1-CG 4.2Å; L66-L68 HydrophobicContact CD2-CD1 3.94Å; L66-L68 HydrophobicContact CD2-CG 4.48Å; L66-L68 HydrophobicContact CG-CD1 4.14Å; L66-L68 HydrophobicContact CG-CG 4.15Å; L66-F81 HydrophobicContact CD2-CD1 4.26Å; L66-F81 HydrophobicContact CD2-CE1 4.21Å; L66-F84 HydrophobicContact CD2-CD2 4.33Å; L66-F84 HydrophobicContact CD2-CE1 4.27Å; L66-F84 HydrophobicContact CD2-CE2 4.06Å; L66-F84 HydrophobicContact CD2-CZ 4Å; L66-L87 HydrophobicContact CB-CD1 3.74Å; L66-L87 HydrophobicContact CB-CD2 4.12Å; L66-W89 PolarHBondContact N-O 3.27Å; L66-W89 WeakPolarHBondContact O-CZ3 3.27Å; L66-L90 HydrophobicContact CB-CD1 4.1Å; L66-L90 HydrophobicContact CD2-CD1 4.02Å; L66-L90 HydrophobicContact CG-CD1 4.1Å; L66-L90 WeakPolarHBondContact O-CA 3.04Å; L66-H91 PolarHBondContact O-N 3.48Å
67	S	97.5	Very high	90.1	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123	175	-161.4	0	0	0	0	109.7	F45 C47 D48 R69	F45-S67 PolarHBondContact O-N 2.98Å; C47-S67 CarbonylContact C-O 3.18Å; C47-S67 WeakPolarHBondContact CA-O 3.32Å; C47-S67 WeakPolarHBondContact CB-O 3.48Å; C47-S67 PolarHBondContact N-O 2.84Å; D48-S67 VanDerWaalsContact OD1-C 3.24Å; D48-S67 WeakPolarHBondContact OD1-CB 3.5Å; D48-S67 PolarHBondContact OD1-OG 3.06Å; D48-S67 PolarHBondContact OD2-OG 3.33Å; S67-R69 WeakPolarHBondContact OG-CD 3.19Å; S67-R69 WeakPolarHBondContact OG-CG 3.42Å
68	L	97.4	Very high	90.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.244	C	C	.	.			trans	-127.3	33.2	178	-73.9	167.2	0	0	0	110.5	C47 D48 F52 V55 P56 L66 N71 I73 F81 H91 L92 N95	C47-L68 HydrophobicContact CB-CD2 3.54Å; C47-L68 HydrophobicContact CB-CG 4.46Å; D48-L68 PolarHBondContact OD1-N 3.49Å; F52-L68 HydrophobicContact CD2-CD2 4.4Å; V55-L68 HydrophobicContact CB-CD1 4.29Å; V55-L68 HydrophobicContact CG1-CD1 4.01Å; V55-L68 HydrophobicContact CG2-CD1 3.88Å; P56-L68 HydrophobicContact CG-CD2 4.21Å; L66-L68 HydrophobicContact CD1-CG 4.2Å; L66-L68 HydrophobicContact CD2-CD1 3.94Å; L66-L68 HydrophobicContact CD2-CG 4.48Å; L66-L68 HydrophobicContact CG-CD1 4.14Å; L66-L68 HydrophobicContact CG-CG 4.15Å; L68-N71 PolarHBondContact O-ND2 3.38Å; L68-I73 HydrophobicContact CB-CD1 4.09Å; L68-I73 HydrophobicContact CD1-CD1 4.24Å; L68-F81 HydrophobicContact CD1-CE1 4.34Å; L68-H91 PolarHBondContact N-O 3.36Å; L68-L92 HydrophobicContact CB-CD2 3.92Å; L68-L92 HydrophobicContact CD1-CD2 3.92Å; L68-N95 PolarHBondContact O-ND2 3.11Å
69	R	98	Very high	92	Very high	86 Å²	86	52.4 Å²	52.4	33%	0.325	26%	0.255	S	S	.	.			trans	-71.6	153.2	-173.2	-52.7	176.3	63	-177.9	3.2	110.8	D48 S49 S67 N71 H91 D93	D48-R69 CarbonylContact C-O 3.55Å; D48-R69 VanDerWaalsContact CA-O 3.27Å; D48-R69 WeakPolarHBondContact CA-O 3.29Å; D48-R69 HydrophobicContact CB-CB 4.46Å; D48-R69 WeakPolarHBondContact OD1-CB 3.28Å; D48-R69 PolarHBondContact OD1-N 3.41Å; S49-R69 PolarHBondContact N-O 2.94Å; S67-R69 WeakPolarHBondContact OG-CD 3.19Å; S67-R69 WeakPolarHBondContact OG-CG 3.42Å; R69-N71 VanDerWaalsContact C-N 3.3Å; R69-N71 PolarHBondContact O-N 3.26Å; R69-H91 HydrophobicContact CG-CB 3.62Å; R69-D93 VanDerWaalsContact CA-O 3.25Å; R69-D93 WeakPolarHBondContact CA-O 3.31Å; R69-D93 VanDerWaalsContact CD-OD1 3.28Å; R69-D93 WeakPolarHBondContact CD-OD1 3.33Å; R69-D93 WeakPolarHBondContact CG-OD1 3.37Å; R69-D93 IonicContact CZ-OD1 2.74Å; R69-D93 IonicContact CZ-OD2 2.87Å; R69-D93 IonicContact NE-OD1 3.85Å; R69-D93 PolarHBondContact NE-OD1 3.18Å; R69-D93 IonicContact NE-OD2 2.73Å; R69-D93 PolarHBondContact NE-OD2 2.85Å; R69-D93 IonicContact NH2-OD1 3.74Å; R69-D93 IonicContact NH2-OD2 3.4Å; R69-D93 PolarHBondContact NH2-OD2 3.13Å
70	H	98.3	Very high	93.6	Very high	90 Å²	90	49.6 Å²	49.6	42%	0.417	24%	0.235	S	C	.	.	S	Bend	trans	55.9	43.4	174.7	-59.2	82	0	0	0	112.9	S49 D93 H94	S49-H70 VanDerWaalsContact CA-O 3.3Å; S49-H70 WeakPolarHBondContact CA-O 3.5Å; S49-H70 WeakPolarHBondContact OG-CB 3.49Å; H70-D93 PolarHBondContact N-O 3.11Å; H70-D93 VanDerWaalsContact N-O 3.09Å; H70-H94 VanDerWaalsContact CA-O 3.24Å; H70-H94 WeakPolarHBondContact CA-O 3.27Å; H70-H94 AromaticContact CD2-CG 3.99Å; H70-H94 AromaticContact CE1-CG 3.75Å; H70-H94 AromaticContact CE1-ND1 3.74Å; H70-H94 PolarHBondContact N-O 2.84Å; H70-H94 AromaticContact NE2-CD2 3.84Å; H70-H94 AromaticContact NE2-CG 3.52Å; H70-H94 AromaticContact NE2-ND1 3.89Å
71	N	98	Very high	94.9	Very high	1 Å²	1	48 Å²	48	1%	0.005	23%	0.226	C	C	.	.	S	Bend	trans	-112.4	-171.7	175.5	-77.2	-51.9	0	0	0	110.4	C47 Q50 G51 F52 L68 R69 I73 N95 Q96	C47-N71 PolarHBondContact O-ND2 3.44Å; Q50-N71 PolarHBondContact N-OD1 2.91Å; G51-N71 PolarHBondContact N-OD1 3.36Å; F52-N71 HydrophobicContact CB-CB 4.23Å; F52-N71 PolarHBondContact N-OD1 2.9Å; F52-N71 VanDerWaalsContact N-OD1 3.13Å; L68-N71 PolarHBondContact O-ND2 3.38Å; R69-N71 VanDerWaalsContact C-N 3.3Å; R69-N71 PolarHBondContact O-N 3.26Å; N71-I73 HydrophobicContact CB-CD1 4.47Å; N71-I73 HydrophobicContact CB-CG1 4.21Å; N71-N95 VanDerWaalsContact CA-OD1 3.27Å; N71-N95 WeakPolarHBondContact CA-OD1 3.36Å; N71-N95 WeakPolarHBondContact CB-OD1 3.46Å; N71-N95 PolarHBondContact N-OD1 2.99Å; N71-N95 PolarHBondContact O-OD1 3.3Å; N71-Q96 PolarHBondContact O-NE2 3.4Å; N71-Q96 VanDerWaalsContact O-NE2 3.09Å
72	H	98	Very high	95.7	Very high	87 Å²	87	43.3 Å²	43.3	40%	0.403	22%	0.215	S	C	.	.			trans	-110.3	31.5	180	-53.8	128.8	0	0	0	112.4	G51 F52 T74 Q96	G51-H72 WeakPolarHBondContact CA-ND1 3.45Å; F52-H72 CarbonylContact O-C 2.99Å; F52-H72 VanDerWaalsContact O-C 3.27Å; F52-H72 WeakPolarHBondContact O-CA 3.33Å; F52-H72 PolarHBondContact O-N 3.47Å; H72-T74 PolarHBondContact O-N 2.03Å; H72-Q96 VanDerWaalsContact CA-OE1 3.27Å; H72-Q96 PolarHBondContact CD2-OE1 3.14Å
73	I	98	Very high	95.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.			trans	-70.8	128.2	178.9	-54.2	172.7	0	0	0	108.1	F52 L68 N71 L76 L92 N95 Q96 I97	F52-I73 PolarHBondContact O-N 2.97Å; L68-I73 HydrophobicContact CB-CD1 4.09Å; L68-I73 HydrophobicContact CD1-CD1 4.24Å; N71-I73 HydrophobicContact CB-CD1 4.47Å; N71-I73 HydrophobicContact CB-CG1 4.21Å; I73-L76 HydrophobicContact CG2-CD2 4.1Å; I73-L92 HydrophobicContact CD1-CD2 4.16Å; I73-N95 HydrophobicContact CB-CB 4.25Å; I73-N95 WeakPolarHBondContact CB-OD1 3.15Å; I73-N95 WeakPolarHBondContact CG1-OD1 3.07Å; I73-N95 PolarHBondContact N-OD1 3.16Å; I73-N95 VanDerWaalsContact N-OD1 3.09Å; I73-Q96 CarbonylContact O-C 3.45Å; I73-Q96 WeakPolarHBondContact O-CA 3.2Å; I73-Q96 PolarHBondContact O-N 2.79Å; I73-I97 HydrophobicContact CB-CG1 4.28Å; I73-I97 HydrophobicContact CG2-CD1 4.4Å; I73-I97 HydrophobicContact CG2-CG1 4.04Å; I73-I97 WeakPolarHBondContact O-CG1 3.31Å; I73-I97 PolarHBondContact O-N 2.9Å; I73-I97 VanDerWaalsContact O-N 3.09Å
74	T	98.1	Very high	96	Very high	68 Å²	68	44.6 Å²	44.6	42%	0.417	22%	0.22	S	C	.	.			trans	-113.3	-23.7	-175.8	51.5	0	0	0	0	113.4	H72 Q96 I97 S98	H72-T74 PolarHBondContact O-N 2.03Å; T74-Q96 HydrophobicContact CG2-CB 4.23Å; T74-I97 CarbonylContact O-C 3.07Å; T74-I97 WeakPolarHBondContact O-CA 3.49Å; T74-S98 PolarHBondContact O-N 3.31Å; T74-S98 PolarHBondContact O-OG 2.88Å
75	E	97.8	Very high	95.8	Very high	63 Å²	63	43.7 Å²	43.7	29%	0.294	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.6	-174.8	179.9	154.4	-138.3	0	0	109.8	T99 K101	E75-T99 WeakPolarHBondContact CA-O 3.45Å; E75-T99 WeakPolarHBondContact CB-OG1 3.42Å; E75-T99 VanDerWaalsContact CD-OG1 3.3Å; E75-T99 WeakPolarHBondContact CG-OG1 3.3Å; E75-T99 PolarHBondContact OE1-OG1 2.84Å; E75-K101 WeakPolarHBondContact OE1-CE 3.23Å; E75-K101 IonicContact OE1-NZ 3Å; E75-K101 PolarHBondContact OE1-NZ 3.46Å
76	L	97.6	Very high	95.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.7	170.1	-60.8	-179.5	0	0	0	109.2	I73 F81 L92 I97 T99 V100 K101 A104 F105 L116	I73-L76 HydrophobicContact CG2-CD2 4.1Å; L76-F81 HydrophobicContact CD1-CE2 4.49Å; L76-F81 HydrophobicContact CD2-CE2 4.21Å; L76-F81 HydrophobicContact CD2-CZ 4.14Å; L76-L92 HydrophobicContact CD1-CD1 4.01Å; L76-L92 HydrophobicContact CD2-CD1 4.38Å; L76-I97 HydrophobicContact CD1-CD1 4.25Å; L76-I97 HydrophobicContact CD1-CG2 4.47Å; L76-I97 HydrophobicContact CD2-CD1 4.16Å; L76-I97 HydrophobicContact CG-CD1 4.19Å; L76-I97 HydrophobicContact CG-CG2 4.16Å; L76-T99 PolarHBondContact N-O 3.11Å; L76-V100 HydrophobicContact CD1-CG1 4.37Å; L76-V100 HydrophobicContact CD1-CG2 4.19Å; L76-K101 WeakPolarHBondContact O-CB 3.12Å; L76-K101 VanDerWaalsContact O-CG 3.24Å; L76-K101 WeakPolarHBondContact O-CG 3.47Å; L76-K101 PolarHBondContact O-N 3.2Å; L76-A104 HydrophobicContact CB-CB 4.06Å; L76-F105 HydrophobicContact CD1-CE1 3.88Å; L76-F105 HydrophobicContact CD1-CE2 4.49Å; L76-F105 HydrophobicContact CD1-CZ 3.53Å; L76-L116 HydrophobicContact CD1-CD2 4.36Å
77	E	96.5	Very high	95.8	Very high	83 Å²	83	46.6 Å²	46.6	39%	0.388	23%	0.233	S	C	.	.			trans	-78.3	168.7	-179.8	-56.1	-63.7	166.7	0	0	112.7	Q80 A104	E77-Q80 VanDerWaalsContact CB-OE1 3.28Å; E77-Q80 WeakPolarHBondContact O-CB 3.38Å; E77-Q80 PolarHBondContact O-N 2.98Å; E77-A104 VanDerWaalsContact O-CA 3.3Å; E77-A104 WeakPolarHBondContact O-CA 3.44Å; E77-A104 WeakPolarHBondContact O-CB 3.37Å
78	R	96.6	Very high	95.8	Very high	161 Å²	161	48.5 Å²	48.5	61%	0.608	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	137.8	173.9	-54.4	-169.7	178.8	-169.8	-4.6	110.4	Q80 K101 E102	R78-Q80 PolarHBondContact O-N 3.48Å; R78-K101 HydrophobicContact CG-CB 3.94Å; R78-E102 WeakPolarHBondContact CG-O 3.44Å
79	D	94.4	Very high	95.9	Very high	71 Å²	71	50.4 Å²	50.4	38%	0.38	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	21.2	177.8	-61.9	-71.1	0	0	0	114.4	F81 A82 D103 Q106	D79-F81 PolarHBondContact O-N 2.96Å; D79-A82 HydrophobicContact CB-CB 4.02Å; D79-A82 VanDerWaalsContact O-CB 3.26Å; D79-A82 WeakPolarHBondContact O-CB 3.47Å; D79-A82 PolarHBondContact O-N 3.02Å; D79-D103 PolarHBondContact N-O 2.89Å; D79-D103 VanDerWaalsContact N-O 3.12Å; D79-Q106 PolarHBondContact OD1-NE2 3.46Å
80	Q	94.1	Very high	95.9	Very high	51 Å²	51	46.3 Å²	46.3	24%	0.238	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.8	-174.5	-173.2	72.1	39.4	0	0	112.6	V55 E77 R78	V55-Q80 HydrophobicContact CB-CG 4.1Å; V55-Q80 HydrophobicContact CG2-CG 3.58Å; E77-Q80 VanDerWaalsContact CB-OE1 3.28Å; E77-Q80 WeakPolarHBondContact O-CB 3.38Å; E77-Q80 PolarHBondContact O-N 2.98Å; R78-Q80 PolarHBondContact O-N 3.48Å
81	F	94.4	Very high	95.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	11.3	-178.5	-55.9	-79.1	0	0	0	114.3	V55 L66 L68 L76 D79 S83 F84 L90 L92 A104 F105 L108	V55-F81 HydrophobicContact CB-CE1 4.47Å; V55-F81 HydrophobicContact CG1-CD1 4.42Å; V55-F81 HydrophobicContact CG1-CE1 4.09Å; V55-F81 HydrophobicContact CG2-CD1 4.45Å; V55-F81 HydrophobicContact CG2-CE1 3.56Å; V55-F81 HydrophobicContact CG2-CZ 3.71Å; L66-F81 HydrophobicContact CD2-CD1 4.26Å; L66-F81 HydrophobicContact CD2-CE1 4.21Å; L68-F81 HydrophobicContact CD1-CE1 4.34Å; L76-F81 HydrophobicContact CD1-CE2 4.49Å; L76-F81 HydrophobicContact CD2-CE2 4.21Å; L76-F81 HydrophobicContact CD2-CZ 4.14Å; D79-F81 PolarHBondContact O-N 2.96Å; F81-S83 PolarHBondContact O-N 2.91Å; F81-S83 VanDerWaalsContact O-N 3.13Å; F81-F84 HydrophobicContact CB-CD2 4.2Å; F81-F84 HydrophobicContact CD1-CD2 4.1Å; F81-F84 HydrophobicContact CD1-CE2 4.36Å; F81-F84 PolarHBondContact O-N 2.99Å; F81-L90 HydrophobicContact CD1-CD1 4.4Å; F81-L90 HydrophobicContact CD1-CD2 4.11Å; F81-L90 HydrophobicContact CD2-CD2 4.15Å; F81-L90 HydrophobicContact CE1-CD1 3.94Å; F81-L90 HydrophobicContact CE1-CD2 3.96Å; F81-L90 HydrophobicContact CE2-CD2 4.02Å; F81-L90 HydrophobicContact CG-CD2 4.22Å; F81-L90 HydrophobicContact CZ-CD1 4.43Å; F81-L90 HydrophobicContact CZ-CD2 3.93Å; F81-L92 HydrophobicContact CE2-CD1 4.28Å; F81-L92 HydrophobicContact CZ-CD1 3.86Å; F81-L92 HydrophobicContact CZ-CD2 4.17Å; F81-A104 WeakPolarHBondContact CD2-O 3.33Å; F81-F105 AromaticContact CD2-CD1 4Å; F81-F105 HydrophobicContact CD2-CD1 4Å; F81-F105 HydrophobicContact CD2-CE1 4.32Å; F81-F105 HydrophobicContact CE2-CD1 4.06Å; F81-F105 AromaticContact CE2-CE1 3.9Å; F81-F105 HydrophobicContact CE2-CE1 3.9Å; F81-L108 HydrophobicContact CB-CD1 3.85Å; F81-L108 HydrophobicContact CB-CD2 3.96Å; F81-L108 HydrophobicContact CB-CG 4.12Å; F81-L108 HydrophobicContact CD2-CD1 4.48Å; F81-L108 HydrophobicContact CG-CD1 4.29Å
82	A	91.7	Very high	95.9	Very high	50 Å²	50	43.6 Å²	43.6	41%	0.413	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.2	-175.7	0	0	0	0	0	113.7	D79 F84	D79-A82 HydrophobicContact CB-CB 4.02Å; D79-A82 VanDerWaalsContact O-CB 3.26Å; D79-A82 WeakPolarHBondContact O-CB 3.47Å; D79-A82 PolarHBondContact O-N 3.02Å; A82-F84 PolarHBondContact O-N 3.45Å
83	S	89.3	Confident	96	Very high	44 Å²	44	39.5 Å²	39.5	31%	0.308	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.5	173.7	53	0	0	0	0	113.3	K61 F81 S85	K61-S83 VanDerWaalsContact CA-O 3.25Å; K61-S83 WeakPolarHBondContact CA-O 3.4Å; K61-S83 WeakPolarHBondContact CB-O 3.08Å; F81-S83 PolarHBondContact O-N 2.91Å; F81-S83 VanDerWaalsContact O-N 3.13Å; S83-S85 PolarHBondContact O-N 3.46Å
84	F	91.8	Very high	96	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.018	22%	0.222	C	C	.	.			trans	-97.7	48.1	-173.8	-53.9	-77.5	0	0	0	112.4	V55 A58 S63 L66 F81 A82 Q86 L87 L108	V55-F84 HydrophobicContact CG1-CE2 3.97Å; V55-F84 HydrophobicContact CG1-CZ 4.35Å; A58-F84 HydrophobicContact CB-CD1 4.39Å; A58-F84 HydrophobicContact CB-CE1 3.26Å; A58-F84 HydrophobicContact CB-CZ 3.45Å; A58-F84 VanDerWaalsContact CB-CZ 3.45Å; S63-F84 WeakPolarHBondContact OG-CD1 3.32Å; L66-F84 HydrophobicContact CD2-CD2 4.33Å; L66-F84 HydrophobicContact CD2-CE1 4.27Å; L66-F84 HydrophobicContact CD2-CE2 4.06Å; L66-F84 HydrophobicContact CD2-CZ 4Å; F81-F84 HydrophobicContact CB-CD2 4.2Å; F81-F84 HydrophobicContact CD1-CD2 4.1Å; F81-F84 HydrophobicContact CD1-CE2 4.36Å; F81-F84 PolarHBondContact O-N 2.99Å; A82-F84 PolarHBondContact O-N 3.45Å; F84-Q86 PolarHBondContact O-N 3.07Å; F84-L87 HydrophobicContact CB-CB 4.27Å; F84-L87 HydrophobicContact CB-CD1 4.31Å; F84-L87 HydrophobicContact CB-CD2 4.43Å; F84-L87 VanDerWaalsContact O-CB 3.29Å; F84-L87 WeakPolarHBondContact O-CB 3.18Å; F84-L87 PolarHBondContact O-N 3.37Å; F84-L108 HydrophobicContact CB-CD2 4.47Å; F84-L108 WeakPolarHBondContact O-CD2 3.44Å
85	S	92.5	Very high	96	Very high	51 Å²	51	40.1 Å²	40.1	36%	0.357	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.1	-174.9	66.7	0	0	0	0	115.6	S83	S83-S85 PolarHBondContact O-N 3.46Å
86	Q	95	Very high	96	Very high	65 Å²	65	39.9 Å²	39.9	30%	0.304	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	1.1	-179.1	-57.6	-53.8	-55.6	0	0	113.9	S63 L64 F84 T88	S63-Q86 CarbonylContact O-C 3.6Å; L64-Q86 HydrophobicContact CD2-CB 4.27Å; F84-Q86 PolarHBondContact O-N 3.07Å; Q86-T88 PolarHBondContact O-N 2.99Å
87	L	96.5	Very high	96.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.			trans	-62.8	133.6	-172.4	-147.5	70.3	0	0	0	111.8	S63 L66 F84 W89 L90 L108 K110 L111	S63-L87 PolarHBondContact O-N 3.16Å; L66-L87 HydrophobicContact CB-CD1 3.74Å; L66-L87 HydrophobicContact CB-CD2 4.12Å; F84-L87 HydrophobicContact CB-CB 4.27Å; F84-L87 HydrophobicContact CB-CD1 4.31Å; F84-L87 HydrophobicContact CB-CD2 4.43Å; F84-L87 VanDerWaalsContact O-CB 3.29Å; F84-L87 WeakPolarHBondContact O-CB 3.18Å; F84-L87 PolarHBondContact O-N 3.37Å; L87-W89 WeakPolarHBondContact CG-O 3.39Å; L87-L90 HydrophobicContact CD2-CB 3.78Å; L87-L90 HydrophobicContact CD2-CD1 4.05Å; L87-L90 HydrophobicContact CD2-CD2 4.34Å; L87-L90 HydrophobicContact CD2-CG 4.27Å; L87-L108 HydrophobicContact CB-CD2 4.04Å; L87-L108 HydrophobicContact CD2-CD2 4.41Å; L87-K110 CarbonylContact O-C 3.09Å; L87-K110 WeakPolarHBondContact O-CB 3.27Å; L87-L111 HydrophobicContact CB-CD1 4.3Å; L87-L111 HydrophobicContact CD2-CD1 4.16Å; L87-L111 HydrophobicContact CG-CD1 4.24Å; L87-L111 WeakPolarHBondContact O-CA 3.41Å; L87-L111 PolarHBondContact O-N 2.79Å
88	T	98.1	Very high	96.2	Very high	43 Å²	43	37.8 Å²	37.8	26%	0.264	20%	0.197	S	C	.	.	S	Bend	trans	-111.2	-28	179.9	63.2	0	0	0	0	111.9	L64 Q86 K112 E113	L64-T88 HydrophobicContact CD2-CG2 4.4Å; L64-T88 WeakPolarHBondContact O-CB 3.22Å; L64-T88 PolarHBondContact O-N 2.73Å; L64-T88 PolarHBondContact O-OG1 3.48Å; Q86-T88 PolarHBondContact O-N 2.99Å; T88-K112 PolarHBondContact O-N 3.42Å; T88-E113 PolarHBondContact O-N 3.24Å
89	W	98.6	Very high	96.2	Very high	40 Å²	40	32.2 Å²	32.2	15%	0.152	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	142.9	172.5	60.6	-95	0	0	0	110.7	L44 Y46 G65 L66 L87 H91 E113	L44-W89 HydrophobicContact CB-CZ2 4.28Å; L44-W89 HydrophobicContact CD2-CZ2 3.99Å; L44-W89 HydrophobicContact CG-CZ2 4.33Å; Y46-W89 HydrophobicContact CD1-CH2 4.43Å; Y46-W89 AromaticContact CE1-CH2 3.96Å; Y46-W89 HydrophobicContact CE1-CH2 3.96Å; Y46-W89 HydrophobicContact CE1-CZ2 4.4Å; G65-W89 VanDerWaalsContact CA-CZ2 3.43Å; L66-W89 PolarHBondContact N-O 3.27Å; L66-W89 WeakPolarHBondContact O-CZ3 3.27Å; L87-W89 WeakPolarHBondContact CG-O 3.39Å; W89-H91 AromaticContact CE3-CD2 3.78Å; W89-H91 AromaticContact CE3-CE1 3.85Å; W89-H91 AromaticContact CE3-CG 3.87Å; W89-H91 AromaticContact CE3-ND1 3.94Å; W89-H91 AromaticContact CE3-NE2 3.76Å; W89-H91 HydrophobicContact CZ3-CB 4.48Å; W89-H91 AromaticContact CZ3-CG 3.96Å; W89-H91 AromaticContact CZ3-ND1 3.81Å; W89-E113 CarbonylContact C-O 3.06Å; W89-E113 VanDerWaalsContact CA-O 3.31Å; W89-E113 WeakPolarHBondContact CA-O 3.5Å; W89-E113 HydrophobicContact CB-CB 3.9Å
90	L	98.3	Very high	96.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	118.6	179.9	176.9	56.2	0	0	0	109.9	L66 F81 L87 L92 F105 L108 L111 E113 L114 I115	L66-L90 HydrophobicContact CB-CD1 4.1Å; L66-L90 HydrophobicContact CD2-CD1 4.02Å; L66-L90 HydrophobicContact CG-CD1 4.1Å; L66-L90 WeakPolarHBondContact O-CA 3.04Å; F81-L90 HydrophobicContact CD1-CD1 4.4Å; F81-L90 HydrophobicContact CD1-CD2 4.11Å; F81-L90 HydrophobicContact CD2-CD2 4.15Å; F81-L90 HydrophobicContact CE1-CD1 3.94Å; F81-L90 HydrophobicContact CE1-CD2 3.96Å; F81-L90 HydrophobicContact CE2-CD2 4.02Å; F81-L90 HydrophobicContact CG-CD2 4.22Å; F81-L90 HydrophobicContact CZ-CD1 4.43Å; F81-L90 HydrophobicContact CZ-CD2 3.93Å; L87-L90 HydrophobicContact CD2-CB 3.78Å; L87-L90 HydrophobicContact CD2-CD1 4.05Å; L87-L90 HydrophobicContact CD2-CD2 4.34Å; L87-L90 HydrophobicContact CD2-CG 4.27Å; L90-L92 HydrophobicContact CD1-CD1 4.38Å; L90-L92 HydrophobicContact CD1-CG 4.14Å; L90-L92 HydrophobicContact CD2-CD1 3.91Å; L90-L92 HydrophobicContact CG-CD1 4Å; L90-L92 HydrophobicContact CG-CG 4.11Å; L90-F105 HydrophobicContact CD2-CD1 4.18Å; L90-F105 HydrophobicContact CD2-CE1 4.13Å; L90-L108 HydrophobicContact CD2-CD1 4.1Å; L90-L111 HydrophobicContact CB-CD1 3.89Å; L90-E113 PolarHBondContact N-O 3.33Å; L90-L114 HydrophobicContact CB-CD1 4.05Å; L90-L114 HydrophobicContact CD2-CD1 3.91Å; L90-L114 HydrophobicContact CG-CD1 4.02Å; L90-I115 PolarHBondContact O-N 3.23Å
91	H	98.7	Very high	96.5	Very high	33 Å²	33	30.5 Å²	30.5	15%	0.153	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.1	177.7	-60.5	173	0	0	0	110.8	L66 L68 R69 W89 E113 I115	L66-H91 PolarHBondContact O-N 3.48Å; L68-H91 PolarHBondContact N-O 3.36Å; R69-H91 HydrophobicContact CG-CB 3.62Å; W89-H91 AromaticContact CE3-CD2 3.78Å; W89-H91 AromaticContact CE3-CE1 3.85Å; W89-H91 AromaticContact CE3-CG 3.87Å; W89-H91 AromaticContact CE3-ND1 3.94Å; W89-H91 AromaticContact CE3-NE2 3.76Å; W89-H91 HydrophobicContact CZ3-CB 4.48Å; W89-H91 AromaticContact CZ3-CG 3.96Å; W89-H91 AromaticContact CZ3-ND1 3.81Å; H91-E113 IonicContact CD2-OE1 2.83Å; H91-E113 IonicContact CE1-OE1 3.11Å; H91-E113 IonicContact NE2-OE1 3.85Å; H91-E113 PolarHBondContact NE2-OE1 3.33Å; H91-I115 VanDerWaalsContact CD2-CG1 3.4Å; H91-I115 WeakPolarHBondContact CD2-CG1 3.25Å
92	L	98.6	Very high	96.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.			trans	-124.9	15.4	-179.9	-72.2	165.8	0	0	0	111.5	L68 I73 L76 F81 L90 N95 I97 F105 I115 L116 N119	L68-L92 HydrophobicContact CB-CD2 3.92Å; L68-L92 HydrophobicContact CD1-CD2 3.92Å; I73-L92 HydrophobicContact CD1-CD2 4.16Å; L76-L92 HydrophobicContact CD1-CD1 4.01Å; L76-L92 HydrophobicContact CD2-CD1 4.38Å; F81-L92 HydrophobicContact CE2-CD1 4.28Å; F81-L92 HydrophobicContact CZ-CD1 3.86Å; F81-L92 HydrophobicContact CZ-CD2 4.17Å; L90-L92 HydrophobicContact CD1-CD1 4.38Å; L90-L92 HydrophobicContact CD1-CG 4.14Å; L90-L92 HydrophobicContact CD2-CD1 3.91Å; L90-L92 HydrophobicContact CG-CD1 4Å; L90-L92 HydrophobicContact CG-CG 4.11Å; L92-N95 PolarHBondContact O-ND2 3.07Å; L92-I97 HydrophobicContact CB-CD1 4.12Å; L92-F105 HydrophobicContact CD1-CE1 4.05Å; L92-I115 WeakPolarHBondContact CA-O 3.31Å; L92-I115 PolarHBondContact N-O 3.03Å; L92-L116 HydrophobicContact CB-CD2 3.86Å; L92-L116 HydrophobicContact CD1-CD2 3.76Å; L92-L116 HydrophobicContact CG-CD2 4.49Å; L92-N119 PolarHBondContact O-ND2 3.48Å
93	D	98.6	Very high	96.8	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.011	18%	0.178	C	C	.	.			trans	-71.7	156.6	-177.1	60.2	-74.4	0	0	0	113.8	R69 H70 N95 I115 S117	R69-D93 VanDerWaalsContact CA-O 3.25Å; R69-D93 WeakPolarHBondContact CA-O 3.31Å; R69-D93 VanDerWaalsContact CD-OD1 3.28Å; R69-D93 WeakPolarHBondContact CD-OD1 3.33Å; R69-D93 WeakPolarHBondContact CG-OD1 3.37Å; R69-D93 IonicContact CZ-OD1 2.74Å; R69-D93 IonicContact CZ-OD2 2.87Å; R69-D93 IonicContact NE-OD1 3.85Å; R69-D93 PolarHBondContact NE-OD1 3.18Å; R69-D93 IonicContact NE-OD2 2.73Å; R69-D93 PolarHBondContact NE-OD2 2.85Å; R69-D93 IonicContact NH2-OD1 3.74Å; R69-D93 IonicContact NH2-OD2 3.4Å; R69-D93 PolarHBondContact NH2-OD2 3.13Å; H70-D93 PolarHBondContact N-O 3.11Å; H70-D93 VanDerWaalsContact N-O 3.09Å; D93-N95 VanDerWaalsContact C-N 3.3Å; D93-N95 PolarHBondContact O-N 2.97Å; D93-I115 HydrophobicContact CB-CG2 3.86Å; D93-S117 CarbonylContact C-O 3.13Å; D93-S117 WeakPolarHBondContact CA-O 3.42Å; D93-S117 WeakPolarHBondContact CB-O 3.31Å
94	H	98.6	Very high	97.2	Very high	75 Å²	75	31.8 Å²	31.8	35%	0.347	16%	0.164	S	C	.	.	S	Bend	trans	58.8	40.1	-176.8	-57.9	82.1	0	0	0	112.8	H70 S117 S118	H70-H94 VanDerWaalsContact CA-O 3.24Å; H70-H94 WeakPolarHBondContact CA-O 3.27Å; H70-H94 AromaticContact CD2-CG 3.99Å; H70-H94 AromaticContact CE1-CG 3.75Å; H70-H94 AromaticContact CE1-ND1 3.74Å; H70-H94 PolarHBondContact N-O 2.84Å; H70-H94 AromaticContact NE2-CD2 3.84Å; H70-H94 AromaticContact NE2-CG 3.52Å; H70-H94 AromaticContact NE2-ND1 3.89Å; H94-S117 PolarHBondContact N-O 2.97Å; H94-S117 VanDerWaalsContact N-O 3.08Å; H94-S118 VanDerWaalsContact CA-O 3.32Å; H94-S118 WeakPolarHBondContact CA-O 3.43Å; H94-S118 PolarHBondContact N-O 3.27Å; H94-S118 PolarHBondContact NE2-OG 2.73Å
95	N	98.5	Very high	97.5	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.032	16%	0.163	C	C	.	.	S	Bend	trans	-103.6	-166.1	167.6	-82.8	-80.4	0	0	0	109.9	L68 N71 I73 L92 D93 I97 N119	L68-N95 PolarHBondContact O-ND2 3.11Å; N71-N95 VanDerWaalsContact CA-OD1 3.27Å; N71-N95 WeakPolarHBondContact CA-OD1 3.36Å; N71-N95 WeakPolarHBondContact CB-OD1 3.46Å; N71-N95 PolarHBondContact N-OD1 2.99Å; N71-N95 PolarHBondContact O-OD1 3.3Å; I73-N95 HydrophobicContact CB-CB 4.25Å; I73-N95 WeakPolarHBondContact CB-OD1 3.15Å; I73-N95 WeakPolarHBondContact CG1-OD1 3.07Å; I73-N95 PolarHBondContact N-OD1 3.16Å; I73-N95 VanDerWaalsContact N-OD1 3.09Å; L92-N95 PolarHBondContact O-ND2 3.07Å; D93-N95 VanDerWaalsContact C-N 3.3Å; D93-N95 PolarHBondContact O-N 2.97Å; N95-I97 HydrophobicContact CB-CD1 4.1Å; N95-I97 HydrophobicContact CB-CG1 3.89Å; N95-N119 VanDerWaalsContact CA-OD1 3.31Å; N95-N119 WeakPolarHBondContact CA-OD1 3.45Å; N95-N119 WeakPolarHBondContact CB-OD1 3.17Å; N95-N119 PolarHBondContact N-OD1 2.85Å; N95-N119 PolarHBondContact O-OD1 3.45Å
96	Q	98.2	Very high	97.6	Very high	57 Å²	57	31.9 Å²	31.9	27%	0.266	16%	0.159	S	C	.	.			trans	-119.5	32.3	173.8	-63.5	87.4	66.2	0	0	111	N71 H72 I73 T74 S98 N119 K120	N71-Q96 PolarHBondContact O-NE2 3.4Å; N71-Q96 VanDerWaalsContact O-NE2 3.09Å; H72-Q96 VanDerWaalsContact CA-OE1 3.27Å; H72-Q96 PolarHBondContact CD2-OE1 3.14Å; I73-Q96 CarbonylContact O-C 3.45Å; I73-Q96 WeakPolarHBondContact O-CA 3.2Å; I73-Q96 PolarHBondContact O-N 2.79Å; T74-Q96 HydrophobicContact CG2-CB 4.23Å; Q96-S98 PolarHBondContact O-N 2.6Å; Q96-S98 VanDerWaalsContact O-N 3.08Å; Q96-N119 PolarHBondContact N-OD1 3.45Å; Q96-K120 HydrophobicContact CB-CD 4.45Å
97	I	98.6	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.			trans	-62.8	113.6	-175.3	-59	167.3	0	0	0	108.5	I73 T74 L76 L92 N95 V100 L116 N119 K120 I121	I73-I97 HydrophobicContact CB-CG1 4.28Å; I73-I97 HydrophobicContact CG2-CD1 4.4Å; I73-I97 HydrophobicContact CG2-CG1 4.04Å; I73-I97 WeakPolarHBondContact O-CG1 3.31Å; I73-I97 PolarHBondContact O-N 2.9Å; I73-I97 VanDerWaalsContact O-N 3.09Å; T74-I97 CarbonylContact O-C 3.07Å; T74-I97 WeakPolarHBondContact O-CA 3.49Å; L76-I97 HydrophobicContact CD1-CD1 4.25Å; L76-I97 HydrophobicContact CD1-CG2 4.47Å; L76-I97 HydrophobicContact CD2-CD1 4.16Å; L76-I97 HydrophobicContact CG-CD1 4.19Å; L76-I97 HydrophobicContact CG-CG2 4.16Å; L92-I97 HydrophobicContact CB-CD1 4.12Å; N95-I97 HydrophobicContact CB-CD1 4.1Å; N95-I97 HydrophobicContact CB-CG1 3.89Å; I97-V100 HydrophobicContact CG2-CG2 3.99Å; I97-L116 HydrophobicContact CD1-CD2 4.35Å; I97-N119 HydrophobicContact CB-CB 4.22Å; I97-N119 WeakPolarHBondContact CB-OD1 3.1Å; I97-N119 WeakPolarHBondContact CG1-OD1 3.37Å; I97-N119 PolarHBondContact N-OD1 3.18Å; I97-K120 CarbonylContact O-C 3.35Å; I97-K120 VanDerWaalsContact O-CA 3.31Å; I97-K120 WeakPolarHBondContact O-CA 3.46Å; I97-K120 PolarHBondContact O-N 2.88Å; I97-I121 HydrophobicContact CB-CG1 4.46Å; I97-I121 HydrophobicContact CG2-CD1 4.46Å; I97-I121 HydrophobicContact CG2-CG1 4.17Å; I97-I121 WeakPolarHBondContact O-CG1 3.38Å; I97-I121 PolarHBondContact O-N 3.08Å; I97-I121 VanDerWaalsContact O-N 3.11Å
98	S	98.1	Very high	97.6	Very high	41 Å²	41	29.7 Å²	29.7	29%	0.287	15%	0.153	S	C	.	.			trans	-102.8	-30.6	174.5	49.3	0	0	0	0	112.3	T74 Q96 F122	T74-S98 PolarHBondContact O-N 3.31Å; T74-S98 PolarHBondContact O-OG 2.88Å; Q96-S98 PolarHBondContact O-N 2.6Å; Q96-S98 VanDerWaalsContact O-N 3.08Å; S98-F122 WeakPolarHBondContact O-CD1 3.26Å; S98-F122 VanDerWaalsContact O-CE1 3.25Å; S98-F122 WeakPolarHBondContact O-CE1 3.49Å
99	T	97.8	Very high	97.5	Very high	44 Å²	44	33.6 Å²	33.6	27%	0.27	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.3	-175	48.5	0	0	0	0	110.8	E75 L76 F122	E75-T99 WeakPolarHBondContact CA-O 3.45Å; E75-T99 WeakPolarHBondContact CB-OG1 3.42Å; E75-T99 VanDerWaalsContact CD-OG1 3.3Å; E75-T99 WeakPolarHBondContact CG-OG1 3.3Å; E75-T99 PolarHBondContact OE1-OG1 2.84Å; L76-T99 PolarHBondContact N-O 3.11Å; T99-F122 HydrophobicContact CG2-CE1 4.48Å
100	V	98.2	Very high	97.5	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.048	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.7	171.2	-177.6	0	0	0	0	106.4	L76 I97 A104 F105 I121 L124 P125 T128	L76-V100 HydrophobicContact CD1-CG1 4.37Å; L76-V100 HydrophobicContact CD1-CG2 4.19Å; I97-V100 HydrophobicContact CG2-CG2 3.99Å; V100-A104 HydrophobicContact CG1-CB 3.9Å; V100-F105 HydrophobicContact CG1-CE2 3.86Å; V100-F105 HydrophobicContact CG1-CZ 4.38Å; V100-I121 HydrophobicContact CG2-CD1 4.17Å; V100-I121 HydrophobicContact CG2-CG1 4.45Å; V100-L124 HydrophobicContact CB-CD2 4.14Å; V100-L124 HydrophobicContact CG1-CD2 4.49Å; V100-L124 HydrophobicContact CG2-CD2 4.06Å; V100-P125 WeakPolarHBondContact O-CD 3.34Å; V100-P125 WeakPolarHBondContact O-CG 3.41Å; V100-T128 HydrophobicContact CG1-CG2 4.02Å
101	K	97.3	Very high	97.5	Very high	78 Å²	78	36.6 Å²	36.6	34%	0.339	18%	0.178	S	C	.	.			trans	-67.5	158.6	177.2	-59.9	-76.2	170.4	162.2	0	110	E75 L76 R78 A104	E75-K101 WeakPolarHBondContact OE1-CE 3.23Å; E75-K101 IonicContact OE1-NZ 3Å; E75-K101 PolarHBondContact OE1-NZ 3.46Å; L76-K101 WeakPolarHBondContact O-CB 3.12Å; L76-K101 VanDerWaalsContact O-CG 3.24Å; L76-K101 WeakPolarHBondContact O-CG 3.47Å; L76-K101 PolarHBondContact O-N 3.2Å; R78-K101 HydrophobicContact CG-CB 3.94Å; K101-A104 WeakPolarHBondContact O-CB 3.48Å; K101-A104 PolarHBondContact O-N 3.49Å
102	E	95.8	Very high	97.5	Very high	81 Å²	81	39.9 Å²	39.9	38%	0.379	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	143.2	165.4	178	161.7	-140.8	0	0	110.5	R78 A104 T127	R78-E102 WeakPolarHBondContact CG-O 3.44Å; E102-A104 PolarHBondContact O-N 3.04Å; E102-A104 VanDerWaalsContact O-N 3.09Å; E102-T127 PolarHBondContact OE1-OG1 2.92Å
103	D	96.1	Very high	97.5	Very high	39 Å²	39	42.7 Å²	42.7	21%	0.209	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	19.3	179.9	-57.2	-28.1	0	0	0	115.6	D79 F105 Q106 Q131	D79-D103 PolarHBondContact N-O 2.89Å; D79-D103 VanDerWaalsContact N-O 3.12Å; D103-F105 PolarHBondContact O-N 3.4Å; D103-Q106 HydrophobicContact CB-CB 3.84Å; D103-Q106 WeakPolarHBondContact O-CB 3.08Å; D103-Q106 PolarHBondContact O-N 3.27Å; D103-Q106 VanDerWaalsContact O-N 3.07Å; D103-Q131 PolarHBondContact OD1-NE2 2.97Å
104	A	97.4	Very high	97.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-35.8	176.6	0	0	0	0	0	113.1	L76 E77 F81 V100 K101 E102	L76-A104 HydrophobicContact CB-CB 4.06Å; E77-A104 VanDerWaalsContact O-CA 3.3Å; E77-A104 WeakPolarHBondContact O-CA 3.44Å; E77-A104 WeakPolarHBondContact O-CB 3.37Å; F81-A104 WeakPolarHBondContact CD2-O 3.33Å; V100-A104 HydrophobicContact CG1-CB 3.9Å; K101-A104 WeakPolarHBondContact O-CB 3.48Å; K101-A104 PolarHBondContact O-N 3.49Å; E102-A104 PolarHBondContact O-N 3.04Å; E102-A104 VanDerWaalsContact O-N 3.09Å
105	F	97.3	Very high	97.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	13.5	178.6	-53.1	-67.6	0	0	0	113.5	L76 F81 L90 L92 V100 D103 L108 L114 L116 T128 F129 L132	L76-F105 HydrophobicContact CD1-CE1 3.88Å; L76-F105 HydrophobicContact CD1-CE2 4.49Å; L76-F105 HydrophobicContact CD1-CZ 3.53Å; F81-F105 AromaticContact CD2-CD1 4Å; F81-F105 HydrophobicContact CD2-CD1 4Å; F81-F105 HydrophobicContact CD2-CE1 4.32Å; F81-F105 HydrophobicContact CE2-CD1 4.06Å; F81-F105 AromaticContact CE2-CE1 3.9Å; F81-F105 HydrophobicContact CE2-CE1 3.9Å; L90-F105 HydrophobicContact CD2-CD1 4.18Å; L90-F105 HydrophobicContact CD2-CE1 4.13Å; L92-F105 HydrophobicContact CD1-CE1 4.05Å; V100-F105 HydrophobicContact CG1-CE2 3.86Å; V100-F105 HydrophobicContact CG1-CZ 4.38Å; D103-F105 PolarHBondContact O-N 3.4Å; F105-L108 HydrophobicContact CB-CD1 4.26Å; F105-L108 HydrophobicContact CD1-CD1 4.29Å; F105-L108 WeakPolarHBondContact O-CB 3.35Å; F105-L108 PolarHBondContact O-N 2.99Å; F105-L114 HydrophobicContact CD1-CD1 4.43Å; F105-L114 HydrophobicContact CD1-CD2 4.4Å; F105-L114 HydrophobicContact CD2-CD2 4.35Å; F105-L114 HydrophobicContact CE1-CD1 3.98Å; F105-L114 HydrophobicContact CE1-CD2 4.25Å; F105-L114 HydrophobicContact CE2-CD2 4.2Å; F105-L114 HydrophobicContact CG-CD2 4.45Å; F105-L114 HydrophobicContact CZ-CD1 4.39Å; F105-L114 HydrophobicContact CZ-CD2 4.16Å; F105-L116 HydrophobicContact CE2-CD1 4.21Å; F105-L116 HydrophobicContact CZ-CD1 3.86Å; F105-L116 HydrophobicContact CZ-CD2 4.14Å; F105-L116 HydrophobicContact CZ-CG 4.5Å; F105-T128 HydrophobicContact CD2-CG2 3.71Å; F105-T128 HydrophobicContact CE2-CG2 3.72Å; F105-F129 HydrophobicContact CD2-CD1 4.48Å; F105-F129 HydrophobicContact CD2-CE1 4.35Å; F105-F129 HydrophobicContact CE2-CE1 4.14Å; F105-L132 HydrophobicContact CB-CD1 4.36Å; F105-L132 HydrophobicContact CB-CD2 4.07Å
106	Q	95.7	Very high	97.5	Very high	58 Å²	58	39.6 Å²	39.6	27%	0.271	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	142.6	178.7	179.2	165.3	-86.7	0	0	111.3	D79 D103 L108	D79-Q106 PolarHBondContact OD1-NE2 3.46Å; D103-Q106 HydrophobicContact CB-CB 3.84Å; D103-Q106 WeakPolarHBondContact O-CB 3.08Å; D103-Q106 PolarHBondContact O-N 3.27Å; D103-Q106 VanDerWaalsContact O-N 3.07Å; Q106-L108 VanDerWaalsContact C-N 3.31Å; Q106-L108 PolarHBondContact O-N 3.05Å
107	G	94.2	Very high	97.6	Very high	18 Å²	18	37.3 Å²	37.3	19%	0.186	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-11.9	-179.3	0	0	0	0	0	115.1	Y109	G107-Y109 WeakPolarHBondContact O-CD2 3.29Å; G107-Y109 PolarHBondContact O-N 3.35Å
108	L	96.9	Very high	97.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.			trans	-82.3	48.4	-180	-59.2	-175.4	0	0	0	113.2	F81 F84 L87 L90 F105 Q106 K110 L111 L132	F81-L108 HydrophobicContact CB-CD1 3.85Å; F81-L108 HydrophobicContact CB-CD2 3.96Å; F81-L108 HydrophobicContact CB-CG 4.12Å; F81-L108 HydrophobicContact CD2-CD1 4.48Å; F81-L108 HydrophobicContact CG-CD1 4.29Å; F84-L108 HydrophobicContact CB-CD2 4.47Å; F84-L108 WeakPolarHBondContact O-CD2 3.44Å; L87-L108 HydrophobicContact CB-CD2 4.04Å; L87-L108 HydrophobicContact CD2-CD2 4.41Å; L90-L108 HydrophobicContact CD2-CD1 4.1Å; F105-L108 HydrophobicContact CB-CD1 4.26Å; F105-L108 HydrophobicContact CD1-CD1 4.29Å; F105-L108 WeakPolarHBondContact O-CB 3.35Å; F105-L108 PolarHBondContact O-N 2.99Å; Q106-L108 VanDerWaalsContact C-N 3.31Å; Q106-L108 PolarHBondContact O-N 3.05Å; L108-K110 PolarHBondContact O-N 3.22Å; L108-K110 VanDerWaalsContact O-N 3.11Å; L108-L111 HydrophobicContact CB-CB 4.06Å; L108-L111 HydrophobicContact CB-CD2 4.4Å; L108-L111 HydrophobicContact CD1-CD2 4.1Å; L108-L111 WeakPolarHBondContact O-CB 3.18Å; L108-L111 PolarHBondContact O-N 3.4Å; L108-L132 HydrophobicContact CB-CD2 3.89Å
109	Y	96.7	Very high	97.6	Very high	126 Å²	126	37.3 Å²	37.3	49%	0.494	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.2	-175.4	-56.8	-71.2	0	0	0	113.9	G107 Q131 N134	G107-Y109 WeakPolarHBondContact O-CD2 3.29Å; G107-Y109 PolarHBondContact O-N 3.35Å; Y109-Q131 HydrophobicContact CE1-CB 4.36Å; Y109-N134 WeakPolarHBondContact O-CB 3.25Å; Y109-N134 PolarHBondContact O-ND2 2.92Å
110	K	97.8	Very high	97.6	Very high	102 Å²	102	40 Å²	40	44%	0.443	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-4.4	179.1	-68.1	-170.1	178.2	-174.1	0	113.6	L87 L108 K112	L87-K110 CarbonylContact O-C 3.09Å; L87-K110 WeakPolarHBondContact O-CB 3.27Å; L108-K110 PolarHBondContact O-N 3.22Å; L108-K110 VanDerWaalsContact O-N 3.11Å; K110-K112 PolarHBondContact O-N 3.33Å
111	L	98.5	Very high	97.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.186	C	C	.	.			trans	-65.5	128.6	-176.2	-159.9	73.6	0	0	0	110.4	L87 L90 L108 L114 L132 N134 L135	L87-L111 HydrophobicContact CB-CD1 4.3Å; L87-L111 HydrophobicContact CD2-CD1 4.16Å; L87-L111 HydrophobicContact CG-CD1 4.24Å; L87-L111 WeakPolarHBondContact O-CA 3.41Å; L87-L111 PolarHBondContact O-N 2.79Å; L90-L111 HydrophobicContact CB-CD1 3.89Å; L108-L111 HydrophobicContact CB-CB 4.06Å; L108-L111 HydrophobicContact CB-CD2 4.4Å; L108-L111 HydrophobicContact CD1-CD2 4.1Å; L108-L111 WeakPolarHBondContact O-CB 3.18Å; L108-L111 PolarHBondContact O-N 3.4Å; L111-L114 HydrophobicContact CD2-CB 3.98Å; L111-L114 HydrophobicContact CD2-CD1 4.36Å; L111-L132 HydrophobicContact CB-CD2 4.41Å; L111-L132 HydrophobicContact CD2-CD1 4.24Å; L111-L132 HydrophobicContact CD2-CD2 4.11Å; L111-N134 CarbonylContact O-C 3.42Å; L111-L135 HydrophobicContact CD2-CD1 4.09Å; L111-L135 HydrophobicContact CG-CD1 4.19Å; L111-L135 WeakPolarHBondContact O-CA 3.46Å; L111-L135 PolarHBondContact O-N 3.26Å
112	K	98.7	Very high	97.7	Very high	102 Å²	102	41 Å²	41	44%	0.443	19%	0.192	S	C	.	.			trans	-111.6	-29.3	176.8	-62.5	-177.6	-179.2	179.5	0	111.6	T88 K110 Q136 N137	T88-K112 PolarHBondContact O-N 3.42Å; K110-K112 PolarHBondContact O-N 3.33Å; K112-Q136 HydrophobicContact CB-CG 4.4Å; K112-Q136 WeakPolarHBondContact O-CA 3.41Å; K112-Q136 WeakPolarHBondContact O-CB 3.27Å; K112-Q136 PolarHBondContact O-N 3.16Å; K112-N137 PolarHBondContact O-N 2.94Å
113	E	98.9	Very high	97.8	Very high	59 Å²	59	43.8 Å²	43.8	28%	0.276	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128.4	-179.7	179	167.5	106.1	0	0	111.1	T88 W89 L90 H91 I115 N137	T88-E113 PolarHBondContact O-N 3.24Å; W89-E113 CarbonylContact C-O 3.06Å; W89-E113 VanDerWaalsContact CA-O 3.31Å; W89-E113 WeakPolarHBondContact CA-O 3.5Å; W89-E113 HydrophobicContact CB-CB 3.9Å; L90-E113 PolarHBondContact N-O 3.33Å; H91-E113 IonicContact CD2-OE1 2.83Å; H91-E113 IonicContact CE1-OE1 3.11Å; H91-E113 IonicContact NE2-OE1 3.85Å; H91-E113 PolarHBondContact NE2-OE1 3.33Å; E113-I115 HydrophobicContact CG-CD1 3.72Å; E113-I115 HydrophobicContact CG-CG1 3.9Å; E113-N137 WeakPolarHBondContact CA-O 3.27Å; E113-N137 HydrophobicContact CB-CB 4.28Å; E113-N137 HydrophobicContact CG-CB 4.04Å; E113-N137 PolarHBondContact OE2-ND2 3.38Å
114	L	98.8	Very high	97.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	114.9	174.4	178.9	58.5	0	0	0	109.3	L90 F105 L111 L116 F129 L132 L135 N137 L138 D139	L90-L114 HydrophobicContact CB-CD1 4.05Å; L90-L114 HydrophobicContact CD2-CD1 3.91Å; L90-L114 HydrophobicContact CG-CD1 4.02Å; F105-L114 HydrophobicContact CD1-CD1 4.43Å; F105-L114 HydrophobicContact CD1-CD2 4.4Å; F105-L114 HydrophobicContact CD2-CD2 4.35Å; F105-L114 HydrophobicContact CE1-CD1 3.98Å; F105-L114 HydrophobicContact CE1-CD2 4.25Å; F105-L114 HydrophobicContact CE2-CD2 4.2Å; F105-L114 HydrophobicContact CG-CD2 4.45Å; F105-L114 HydrophobicContact CZ-CD1 4.39Å; F105-L114 HydrophobicContact CZ-CD2 4.16Å; L111-L114 HydrophobicContact CD2-CB 3.98Å; L111-L114 HydrophobicContact CD2-CD1 4.36Å; L114-L116 HydrophobicContact CD1-CD1 4.38Å; L114-L116 HydrophobicContact CD1-CG 4.18Å; L114-L116 HydrophobicContact CD2-CD1 3.93Å; L114-L116 HydrophobicContact CG-CD1 4.03Å; L114-L116 HydrophobicContact CG-CG 4.15Å; L114-F129 HydrophobicContact CD2-CD1 4.1Å; L114-F129 HydrophobicContact CD2-CE1 3.73Å; L114-L132 HydrophobicContact CD2-CD1 3.89Å; L114-L135 HydrophobicContact CB-CD1 3.88Å; L114-N137 PolarHBondContact N-O 3.37Å; L114-L138 HydrophobicContact CB-CD1 4.1Å; L114-L138 HydrophobicContact CD2-CD1 4.04Å; L114-L138 HydrophobicContact CG-CD1 4.11Å; L114-L138 WeakPolarHBondContact O-CA 3.26Å; L114-D139 PolarHBondContact O-N 3.42Å
115	I	98.9	Very high	97.9	Very high	18 Å²	18	42.9 Å²	42.9	9%	0.092	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.4	179.6	-48.9	-59.8	0	0	0	108.7	L90 H91 L92 D93 E113 S117 D139	L90-I115 PolarHBondContact O-N 3.23Å; H91-I115 VanDerWaalsContact CD2-CG1 3.4Å; H91-I115 WeakPolarHBondContact CD2-CG1 3.25Å; L92-I115 WeakPolarHBondContact CA-O 3.31Å; L92-I115 PolarHBondContact N-O 3.03Å; D93-I115 HydrophobicContact CB-CG2 3.86Å; E113-I115 HydrophobicContact CG-CD1 3.72Å; E113-I115 HydrophobicContact CG-CG1 3.9Å; I115-S117 WeakPolarHBondContact CG2-OG 3.32Å; I115-D139 HydrophobicContact CD1-CB 3.69Å; I115-D139 HydrophobicContact CG2-CB 4.09Å
116	L	98.8	Very high	97.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.211	C	C	.	.			trans	-120.5	16.7	179.8	-76.3	166.3	0	0	0	111.7	L76 L92 I97 F105 L114 N119 I121 F129 D139 L140 N143	L76-L116 HydrophobicContact CD1-CD2 4.36Å; L92-L116 HydrophobicContact CB-CD2 3.86Å; L92-L116 HydrophobicContact CD1-CD2 3.76Å; L92-L116 HydrophobicContact CG-CD2 4.49Å; I97-L116 HydrophobicContact CD1-CD2 4.35Å; F105-L116 HydrophobicContact CE2-CD1 4.21Å; F105-L116 HydrophobicContact CZ-CD1 3.86Å; F105-L116 HydrophobicContact CZ-CD2 4.14Å; F105-L116 HydrophobicContact CZ-CG 4.5Å; L114-L116 HydrophobicContact CD1-CD1 4.38Å; L114-L116 HydrophobicContact CD1-CG 4.18Å; L114-L116 HydrophobicContact CD2-CD1 3.93Å; L114-L116 HydrophobicContact CG-CD1 4.03Å; L114-L116 HydrophobicContact CG-CG 4.15Å; L116-N119 PolarHBondContact O-ND2 3.02Å; L116-I121 HydrophobicContact CB-CD1 4.25Å; L116-I121 HydrophobicContact CD2-CD1 4.35Å; L116-F129 HydrophobicContact CD1-CE1 4.29Å; L116-F129 HydrophobicContact CD1-CZ 4.44Å; L116-D139 CarbonylContact C-O 3.44Å; L116-D139 WeakPolarHBondContact CA-O 3.27Å; L116-D139 PolarHBondContact N-O 2.88Å; L116-L140 HydrophobicContact CB-CD2 3.89Å; L116-L140 HydrophobicContact CD1-CD2 3.86Å; L116-N143 PolarHBondContact O-ND2 3.02Å
117	S	98.7	Very high	97.8	Very high	10 Å²	10	44.5 Å²	44.5	7%	0.07	21%	0.208	C	C	.	.			trans	-68.6	159.7	-175.6	46.3	0	0	0	0	113.8	D93 H94 I115 N119 D139 S141	D93-S117 CarbonylContact C-O 3.13Å; D93-S117 WeakPolarHBondContact CA-O 3.42Å; D93-S117 WeakPolarHBondContact CB-O 3.31Å; H94-S117 PolarHBondContact N-O 2.97Å; H94-S117 VanDerWaalsContact N-O 3.08Å; I115-S117 WeakPolarHBondContact CG2-OG 3.32Å; S117-N119 PolarHBondContact O-N 3.35Å; S117-N119 PolarHBondContact O-ND2 2.83Å; S117-D139 WeakPolarHBondContact CB-OD1 3.05Å; S117-D139 VanDerWaalsContact CB-OD2 3.24Å; S117-D139 WeakPolarHBondContact CB-OD2 3.07Å; S117-D139 PolarHBondContact N-O 3.03Å; S117-D139 PolarHBondContact OG-OD2 3.26Å; S117-S141 CarbonylContact C-O 3.54Å; S117-S141 WeakPolarHBondContact CA-O 3.31Å; S117-S141 VanDerWaalsContact CB-O 3.24Å; S117-S141 WeakPolarHBondContact CB-O 3.25Å; S117-S141 VanDerWaalsContact CB-OG 3.23Å; S117-S141 WeakPolarHBondContact CB-OG 3.24Å
118	S	98.7	Very high	97.9	Very high	31 Å²	31	43.7 Å²	43.7	22%	0.217	20%	0.199	C	C	.	.	S	Bend	trans	55.3	52.6	-180	-59.4	0	0	0	0	112.5	H94 S141 F142	H94-S118 VanDerWaalsContact CA-O 3.32Å; H94-S118 WeakPolarHBondContact CA-O 3.43Å; H94-S118 PolarHBondContact N-O 3.27Å; H94-S118 PolarHBondContact NE2-OG 2.73Å; S118-S141 PolarHBondContact N-O 2.89Å; S118-F142 WeakPolarHBondContact CA-O 3.19Å; S118-F142 PolarHBondContact N-O 3.27Å
119	N	98.8	Very high	98	Very high	9 Å²	9	43.7 Å²	43.7	5%	0.048	20%	0.199	C	C	.	.	S	Bend	trans	-125.3	-168.9	175.6	-85.6	-70.7	0	0	0	110.1	L92 N95 Q96 I97 L116 S117 I121 F142 N143	L92-N119 PolarHBondContact O-ND2 3.48Å; N95-N119 VanDerWaalsContact CA-OD1 3.31Å; N95-N119 WeakPolarHBondContact CA-OD1 3.45Å; N95-N119 WeakPolarHBondContact CB-OD1 3.17Å; N95-N119 PolarHBondContact N-OD1 2.85Å; N95-N119 PolarHBondContact O-OD1 3.45Å; Q96-N119 PolarHBondContact N-OD1 3.45Å; I97-N119 HydrophobicContact CB-CB 4.22Å; I97-N119 WeakPolarHBondContact CB-OD1 3.1Å; I97-N119 WeakPolarHBondContact CG1-OD1 3.37Å; I97-N119 PolarHBondContact N-OD1 3.18Å; L116-N119 PolarHBondContact O-ND2 3.02Å; S117-N119 PolarHBondContact O-N 3.35Å; S117-N119 PolarHBondContact O-ND2 2.83Å; N119-I121 HydrophobicContact CB-CD1 4.35Å; N119-I121 HydrophobicContact CB-CG1 4.08Å; N119-F142 PolarHBondContact N-O 3Å; N119-N143 WeakPolarHBondContact CA-OD1 3.11Å; N119-N143 WeakPolarHBondContact CB-OD1 3.31Å; N119-N143 PolarHBondContact O-OD1 3.42Å
120	K	98.6	Very high	97.9	Very high	102 Å²	102	39.9 Å²	39.9	44%	0.443	19%	0.189	S	C	.	.			trans	-115.7	26.4	-180	-60.8	-177.6	-179.6	177.8	0	111.9	Q96 I97 F122	Q96-K120 HydrophobicContact CB-CD 4.45Å; I97-K120 CarbonylContact O-C 3.35Å; I97-K120 VanDerWaalsContact O-CA 3.31Å; I97-K120 WeakPolarHBondContact O-CA 3.46Å; I97-K120 PolarHBondContact O-N 2.88Å; K120-F122 PolarHBondContact O-N 3.01Å
121	I	98.7	Very high	97.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.			trans	-69.1	119.3	-173.8	-55.4	173.5	0	0	0	108.7	I97 V100 L116 N119 Y123 L124 N143 Q144 L145	I97-I121 HydrophobicContact CB-CG1 4.46Å; I97-I121 HydrophobicContact CG2-CD1 4.46Å; I97-I121 HydrophobicContact CG2-CG1 4.17Å; I97-I121 WeakPolarHBondContact O-CG1 3.38Å; I97-I121 PolarHBondContact O-N 3.08Å; I97-I121 VanDerWaalsContact O-N 3.11Å; V100-I121 HydrophobicContact CG2-CD1 4.17Å; V100-I121 HydrophobicContact CG2-CG1 4.45Å; L116-I121 HydrophobicContact CB-CD1 4.25Å; L116-I121 HydrophobicContact CD2-CD1 4.35Å; N119-I121 HydrophobicContact CB-CD1 4.35Å; N119-I121 HydrophobicContact CB-CG1 4.08Å; I121-Y123 WeakPolarHBondContact CG2-O 3.43Å; I121-L124 HydrophobicContact CG2-CD2 3.8Å; I121-L124 HydrophobicContact CG2-CG 3.86Å; I121-N143 HydrophobicContact CB-CB 4.29Å; I121-N143 VanDerWaalsContact CB-OD1 3.3Å; I121-N143 WeakPolarHBondContact CB-OD1 3.37Å; I121-N143 VanDerWaalsContact CG1-OD1 3.31Å; I121-N143 WeakPolarHBondContact CG1-OD1 3.37Å; I121-N143 PolarHBondContact N-OD1 2.81Å; I121-Q144 CarbonylContact O-C 3.58Å; I121-Q144 VanDerWaalsContact O-C 3.24Å; I121-Q144 WeakPolarHBondContact O-CA 3.5Å; I121-Q144 PolarHBondContact O-N 2.89Å; I121-L145 HydrophobicContact CG2-CD2 3.9Å; I121-L145 PolarHBondContact O-N 3Å
122	F	98	Very high	97.7	Very high	105 Å²	105	36.7 Å²	36.7	46%	0.461	18%	0.176	S	C	.	.			trans	-108.9	-20.6	177.3	65.4	-88.2	0	0	0	112.7	S98 T99 K120 Q144	S98-F122 WeakPolarHBondContact O-CD1 3.26Å; S98-F122 VanDerWaalsContact O-CE1 3.25Å; S98-F122 WeakPolarHBondContact O-CE1 3.49Å; T99-F122 HydrophobicContact CG2-CE1 4.48Å; K120-F122 PolarHBondContact O-N 3.01Å; F122-Q144 HydrophobicContact CB-CB 4.31Å
123	Y	97.8	Very high	97.6	Very high	140 Å²	140	36.2 Å²	36.2	55%	0.549	18%	0.177	S	C	.	.			trans	-141.3	141.5	-179	174.3	-98.1	0	0	0	110.7	I121 P125	I121-Y123 WeakPolarHBondContact CG2-O 3.43Å; Y123-P125 HydrophobicContact CE1-CG 4.04Å
124	L	97.9	Very high	97.6	Very high	10 Å²	10	35.5 Å²	35.5	5%	0.052	18%	0.175	C	C	.	.			trans	-129.5	126.7	172.3	-71	168	0	0	0	108.5	V100 I121 T128 F129 L140 L145 L152	V100-L124 HydrophobicContact CB-CD2 4.14Å; V100-L124 HydrophobicContact CG1-CD2 4.49Å; V100-L124 HydrophobicContact CG2-CD2 4.06Å; I121-L124 HydrophobicContact CG2-CD2 3.8Å; I121-L124 HydrophobicContact CG2-CG 3.86Å; L124-T128 HydrophobicContact CD2-CG2 4.24Å; L124-F129 HydrophobicContact CD1-CE2 3.95Å; L124-F129 HydrophobicContact CD1-CZ 4.03Å; L124-F129 HydrophobicContact CD2-CZ 4.42Å; L124-L140 HydrophobicContact CD1-CD1 4.04Å; L124-L140 HydrophobicContact CD1-CD2 4.13Å; L124-L145 HydrophobicContact CD1-CD1 4.32Å; L124-L145 HydrophobicContact CD1-CD2 4.08Å; L124-L145 HydrophobicContact CG-CD2 4.17Å; L124-L152 HydrophobicContact CB-CD1 4.01Å; L124-L152 HydrophobicContact CB-CD2 4.45Å; L124-L152 HydrophobicContact CD1-CD2 4.14Å
125	P	96.9	Very high	97.6	Very high	11 Å²	11	35.5 Å²	35.5	7%	0.071	18%	0.175	C	C	.	.			trans	-53.2	147.8	168.8	-24.1	30.7	0	0	0	112	V100 Y123 T127 T128 L152	V100-P125 WeakPolarHBondContact O-CD 3.34Å; V100-P125 WeakPolarHBondContact O-CG 3.41Å; Y123-P125 HydrophobicContact CE1-CG 4.04Å; P125-T127 PolarHBondContact O-N 2.93Å; P125-T128 WeakPolarHBondContact CB-OG1 3.36Å; P125-T128 WeakPolarHBondContact CD-OG1 3.35Å; P125-T128 WeakPolarHBondContact O-CB 3.46Å; P125-T128 PolarHBondContact O-N 3.11Å; P125-T128 PolarHBondContact O-OG1 3.17Å; P125-L152 VanDerWaalsContact O-CD1 3.3Å; P125-L152 WeakPolarHBondContact O-CD1 3.31Å
126	N	95.5	Very high	97.6	Very high	59 Å²	59	37.9 Å²	37.9	32%	0.316	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.1	178.9	59.4	-20.8	0	0	0	113.3	H149	N126-H149 HydrophobicContact CB-CB 4.18Å; N126-H149 VanDerWaalsContact CB-ND1 3.3Å; N126-H149 WeakPolarHBondContact CB-ND1 3.35Å
127	T	95.8	Very high	97.6	Very high	32 Å²	32	39.3 Å²	39.3	20%	0.196	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.5	-179.6	47.5	0	0	0	0	114.1	E102 P125 F129 T130 Q131	E102-T127 PolarHBondContact OE1-OG1 2.92Å; P125-T127 PolarHBondContact O-N 2.93Å; T127-F129 VanDerWaalsContact C-N 3.27Å; T127-F129 PolarHBondContact O-N 3.4Å; T127-T130 PolarHBondContact O-N 3.28Å; T127-T130 VanDerWaalsContact O-N 3.07Å; T127-T130 PolarHBondContact O-OG1 3.34Å; T127-Q131 PolarHBondContact O-OE1 2.91Å
128	T	97.6	Very high	97.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-40.2	-168.6	-54	0	0	0	0	115.4	V100 F105 L124 P125	V100-T128 HydrophobicContact CG1-CG2 4.02Å; F105-T128 HydrophobicContact CD2-CG2 3.71Å; F105-T128 HydrophobicContact CE2-CG2 3.72Å; L124-T128 HydrophobicContact CD2-CG2 4.24Å; P125-T128 WeakPolarHBondContact CB-OG1 3.36Å; P125-T128 WeakPolarHBondContact CD-OG1 3.35Å; P125-T128 WeakPolarHBondContact O-CB 3.46Å; P125-T128 PolarHBondContact O-N 3.11Å; P125-T128 PolarHBondContact O-OG1 3.17Å
129	F	97.9	Very high	97.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-2.9	-175.3	-54	-53.5	0	0	0	113.7	F105 L114 L116 L124 T127 Q131 L132 L138 L140 L152 F153 L156	F105-F129 HydrophobicContact CD2-CD1 4.48Å; F105-F129 HydrophobicContact CD2-CE1 4.35Å; F105-F129 HydrophobicContact CE2-CE1 4.14Å; L114-F129 HydrophobicContact CD2-CD1 4.1Å; L114-F129 HydrophobicContact CD2-CE1 3.73Å; L116-F129 HydrophobicContact CD1-CE1 4.29Å; L116-F129 HydrophobicContact CD1-CZ 4.44Å; L124-F129 HydrophobicContact CD1-CE2 3.95Å; L124-F129 HydrophobicContact CD1-CZ 4.03Å; L124-F129 HydrophobicContact CD2-CZ 4.42Å; T127-F129 VanDerWaalsContact C-N 3.27Å; T127-F129 PolarHBondContact O-N 3.4Å; F129-Q131 PolarHBondContact O-N 3.17Å; F129-L132 HydrophobicContact CB-CD1 4.31Å; F129-L132 HydrophobicContact CD1-CD1 3.78Å; F129-L132 WeakPolarHBondContact O-CB 3.34Å; F129-L132 PolarHBondContact O-N 3.15Å; F129-L138 HydrophobicContact CD2-CD2 4.12Å; F129-L138 HydrophobicContact CE1-CD1 4.13Å; F129-L138 HydrophobicContact CE2-CD2 3.97Å; F129-L138 HydrophobicContact CG-CD2 4.46Å; F129-L138 HydrophobicContact CZ-CD1 4.19Å; F129-L138 HydrophobicContact CZ-CD2 4.18Å; F129-L140 HydrophobicContact CE2-CD1 4.08Å; F129-L140 HydrophobicContact CZ-CD1 4.13Å; F129-L140 HydrophobicContact CZ-CD2 4.24Å; F129-L152 HydrophobicContact CD2-CD1 3.9Å; F129-L152 HydrophobicContact CD2-CG 4Å; F129-L152 HydrophobicContact CE2-CD1 4.01Å; F129-L152 HydrophobicContact CE2-CD2 4.36Å; F129-L152 HydrophobicContact CE2-CG 4.13Å; F129-F153 HydrophobicContact CD2-CD1 4.07Å; F129-F153 AromaticContact CD2-CE1 3.95Å; F129-F153 HydrophobicContact CD2-CE1 3.95Å; F129-F153 AromaticContact CE2-CE1 3.99Å; F129-F153 HydrophobicContact CE2-CE1 3.99Å; F129-L156 HydrophobicContact CB-CD1 4.11Å; F129-L156 HydrophobicContact CB-CD2 4.47Å; F129-L156 WeakPolarHBondContact O-CD2 3.13Å
130	T	94.2	Very high	97.6	Very high	47 Å²	47	38 Å²	38	29%	0.288	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.2	-170	58.4	0	0	0	0	113	T127 L132	T127-T130 PolarHBondContact O-N 3.28Å; T127-T130 VanDerWaalsContact O-N 3.07Å; T127-T130 PolarHBondContact O-OG1 3.34Å; T130-L132 VanDerWaalsContact C-N 3.34Å
131	Q	94.9	Very high	97.6	Very high	35 Å²	35	33.5 Å²	33.5	16%	0.164	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-13.6	177.8	-55.6	84.8	-2.3	0	0	113.4	D103 Y109 T127 F129 I133	D103-Q131 PolarHBondContact OD1-NE2 2.97Å; Y109-Q131 HydrophobicContact CE1-CB 4.36Å; T127-Q131 PolarHBondContact O-OE1 2.91Å; F129-Q131 PolarHBondContact O-N 3.17Å; Q131-I133 PolarHBondContact O-N 2.65Å
132	L	97.8	Very high	97.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.			trans	-82.5	54.9	-176.9	-51.5	-178.6	0	0	0	111.6	F105 L108 L111 L114 F129 T130 N134 L135 L156	F105-L132 HydrophobicContact CB-CD1 4.36Å; F105-L132 HydrophobicContact CB-CD2 4.07Å; L108-L132 HydrophobicContact CB-CD2 3.89Å; L111-L132 HydrophobicContact CB-CD2 4.41Å; L111-L132 HydrophobicContact CD2-CD1 4.24Å; L111-L132 HydrophobicContact CD2-CD2 4.11Å; L114-L132 HydrophobicContact CD2-CD1 3.89Å; F129-L132 HydrophobicContact CB-CD1 4.31Å; F129-L132 HydrophobicContact CD1-CD1 3.78Å; F129-L132 WeakPolarHBondContact O-CB 3.34Å; F129-L132 PolarHBondContact O-N 3.15Å; T130-L132 VanDerWaalsContact C-N 3.34Å; L132-N134 PolarHBondContact O-N 2.79Å; L132-L135 HydrophobicContact CB-CB 4.04Å; L132-L135 HydrophobicContact CB-CD1 4.49Å; L132-L135 HydrophobicContact CB-CD2 4.35Å; L132-L135 HydrophobicContact CD1-CD1 4.32Å; L132-L135 HydrophobicContact CD1-CD2 4.09Å; L132-L135 VanDerWaalsContact O-CB 3.26Å; L132-L135 WeakPolarHBondContact O-CB 3.34Å; L132-L135 PolarHBondContact O-N 2.94Å; L132-L156 HydrophobicContact CB-CD2 4.42Å; L132-L156 WeakPolarHBondContact O-CD2 3.4Å
133	I	96.8	Very high	97.7	Very high	92 Å²	92	32.7 Å²	32.7	47%	0.472	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.4	-172.5	59.3	167.7	0	0	0	114.8	Q131	Q131-I133 PolarHBondContact O-N 2.65Å
134	N	98.4	Very high	97.7	Very high	43 Å²	43	31 Å²	31	23%	0.23	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	4.9	179.4	-72.8	-54.2	0	0	0	114.1	Y109 L111 L132 Q136 K158	Y109-N134 WeakPolarHBondContact O-CB 3.25Å; Y109-N134 PolarHBondContact O-ND2 2.92Å; L111-N134 CarbonylContact O-C 3.42Å; L132-N134 PolarHBondContact O-N 2.79Å; N134-Q136 PolarHBondContact O-N 3.25Å; N134-K158 PolarHBondContact OD1-NZ 2.9Å
135	L	98.7	Very high	97.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.156	C	C	.	.			trans	-62.8	134	-177.5	-155.7	70.3	0	0	0	111	L111 L114 L132 L138 L156 K158 L159	L111-L135 HydrophobicContact CD2-CD1 4.09Å; L111-L135 HydrophobicContact CG-CD1 4.19Å; L111-L135 WeakPolarHBondContact O-CA 3.46Å; L111-L135 PolarHBondContact O-N 3.26Å; L114-L135 HydrophobicContact CB-CD1 3.88Å; L132-L135 HydrophobicContact CB-CB 4.04Å; L132-L135 HydrophobicContact CB-CD1 4.49Å; L132-L135 HydrophobicContact CB-CD2 4.35Å; L132-L135 HydrophobicContact CD1-CD1 4.32Å; L132-L135 HydrophobicContact CD1-CD2 4.09Å; L132-L135 VanDerWaalsContact O-CB 3.26Å; L132-L135 WeakPolarHBondContact O-CB 3.34Å; L132-L135 PolarHBondContact O-N 2.94Å; L135-L138 HydrophobicContact CD2-CB 3.96Å; L135-L138 HydrophobicContact CD2-CD1 4.31Å; L135-L138 HydrophobicContact CD2-CD2 4.3Å; L135-L138 HydrophobicContact CD2-CG 4.42Å; L135-L156 HydrophobicContact CB-CD2 4.35Å; L135-L156 HydrophobicContact CD2-CD1 4.45Å; L135-K158 CarbonylContact O-C 3.19Å; L135-L159 HydrophobicContact CB-CD1 4.45Å; L135-L159 HydrophobicContact CD2-CD1 4.12Å; L135-L159 HydrophobicContact CG-CD1 4.15Å; L135-L159 VanDerWaalsContact O-CA 3.32Å; L135-L159 WeakPolarHBondContact O-CA 3.39Å; L135-L159 PolarHBondContact O-N 2.64Å
136	Q	98.8	Very high	97.8	Very high	67 Å²	67	32.8 Å²	32.8	31%	0.313	17%	0.172	S	C	.	.			trans	-119.5	-39.9	-179	-65.4	-177.5	-25.9	0	0	111.1	K112 N134 Q160 T161	K112-Q136 HydrophobicContact CB-CG 4.4Å; K112-Q136 WeakPolarHBondContact O-CA 3.41Å; K112-Q136 WeakPolarHBondContact O-CB 3.27Å; K112-Q136 PolarHBondContact O-N 3.16Å; N134-Q136 PolarHBondContact O-N 3.25Å; Q136-Q160 WeakPolarHBondContact O-CA 3.18Å; Q136-Q160 PolarHBondContact O-N 3.39Å; Q136-T161 PolarHBondContact O-N 3.1Å
137	N	98.9	Very high	97.8	Very high	30 Å²	30	33.4 Å²	33.4	16%	0.16	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.4	178.8	-176.5	16.5	0	0	0	110.5	K112 E113 L114 T161	K112-N137 PolarHBondContact O-N 2.94Å; E113-N137 WeakPolarHBondContact CA-O 3.27Å; E113-N137 HydrophobicContact CB-CB 4.28Å; E113-N137 HydrophobicContact CG-CB 4.04Å; E113-N137 PolarHBondContact OE2-ND2 3.38Å; L114-N137 PolarHBondContact N-O 3.37Å; N137-T161 WeakPolarHBondContact CA-OG1 3.08Å; N137-T161 VanDerWaalsContact CB-OG1 3.32Å; N137-T161 WeakPolarHBondContact CB-OG1 3.22Å; N137-T161 PolarHBondContact OD1-OG1 2.72Å
138	L	98.9	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	116.9	174.4	178.9	57.9	0	0	0	109.9	L114 F129 L135 L140 F153 L159 T161 L162 H163	L114-L138 HydrophobicContact CB-CD1 4.1Å; L114-L138 HydrophobicContact CD2-CD1 4.04Å; L114-L138 HydrophobicContact CG-CD1 4.11Å; L114-L138 WeakPolarHBondContact O-CA 3.26Å; F129-L138 HydrophobicContact CD2-CD2 4.12Å; F129-L138 HydrophobicContact CE1-CD1 4.13Å; F129-L138 HydrophobicContact CE2-CD2 3.97Å; F129-L138 HydrophobicContact CG-CD2 4.46Å; F129-L138 HydrophobicContact CZ-CD1 4.19Å; F129-L138 HydrophobicContact CZ-CD2 4.18Å; L135-L138 HydrophobicContact CD2-CB 3.96Å; L135-L138 HydrophobicContact CD2-CD1 4.31Å; L135-L138 HydrophobicContact CD2-CD2 4.3Å; L135-L138 HydrophobicContact CD2-CG 4.42Å; L138-L140 HydrophobicContact CD1-CD1 4.48Å; L138-L140 HydrophobicContact CD1-CG 4.18Å; L138-L140 HydrophobicContact CD2-CD1 4.07Å; L138-L140 HydrophobicContact CG-CD1 4.21Å; L138-L140 HydrophobicContact CG-CG 4.21Å; L138-F153 HydrophobicContact CD2-CD1 4.19Å; L138-F153 HydrophobicContact CD2-CE1 3.66Å; L138-L159 HydrophobicContact CB-CD1 3.86Å; L138-T161 PolarHBondContact N-O 2.92Å; L138-L162 HydrophobicContact CB-CD1 4.04Å; L138-L162 HydrophobicContact CD2-CD1 3.9Å; L138-L162 HydrophobicContact CG-CD1 3.99Å; L138-L162 WeakPolarHBondContact O-CA 3.32Å; L138-H163 PolarHBondContact O-N 3.3Å
139	D	98.9	Very high	97.9	Very high	24 Å²	24	36.1 Å²	36.1	13%	0.128	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	110.8	176.2	-174.5	6.5	0	0	0	111.7	L114 I115 L116 S117 S141 H163	L114-D139 PolarHBondContact O-N 3.42Å; I115-D139 HydrophobicContact CD1-CB 3.69Å; I115-D139 HydrophobicContact CG2-CB 4.09Å; L116-D139 CarbonylContact C-O 3.44Å; L116-D139 WeakPolarHBondContact CA-O 3.27Å; L116-D139 PolarHBondContact N-O 2.88Å; S117-D139 WeakPolarHBondContact CB-OD1 3.05Å; S117-D139 VanDerWaalsContact CB-OD2 3.24Å; S117-D139 WeakPolarHBondContact CB-OD2 3.07Å; S117-D139 PolarHBondContact N-O 3.03Å; S117-D139 PolarHBondContact OG-OD2 3.26Å; D139-S141 WeakPolarHBondContact OD1-CB 3.31Å; D139-S141 PolarHBondContact OD1-N 3.27Å; D139-S141 PolarHBondContact OD1-OG 3.35Å; D139-S141 PolarHBondContact OD2-OG 3.15Å; D139-H163 HydrophobicContact CB-CB 4.24Å; D139-H163 VanDerWaalsContact OD1-CB 3.31Å; D139-H163 WeakPolarHBondContact OD1-CB 3.44Å
140	L	98.9	Very high	97.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.			trans	-114.5	17.5	175.1	-70	168.1	0	0	0	111.3	L116 L124 F129 L138 N143 L145 F153 H163 L164 N167	L116-L140 HydrophobicContact CB-CD2 3.89Å; L116-L140 HydrophobicContact CD1-CD2 3.86Å; L124-L140 HydrophobicContact CD1-CD1 4.04Å; L124-L140 HydrophobicContact CD1-CD2 4.13Å; F129-L140 HydrophobicContact CE2-CD1 4.08Å; F129-L140 HydrophobicContact CZ-CD1 4.13Å; F129-L140 HydrophobicContact CZ-CD2 4.24Å; L138-L140 HydrophobicContact CD1-CD1 4.48Å; L138-L140 HydrophobicContact CD1-CG 4.18Å; L138-L140 HydrophobicContact CD2-CD1 4.07Å; L138-L140 HydrophobicContact CG-CD1 4.21Å; L138-L140 HydrophobicContact CG-CG 4.21Å; L140-N143 PolarHBondContact O-ND2 3.44Å; L140-N143 VanDerWaalsContact O-ND2 3.08Å; L140-L145 HydrophobicContact CB-CD1 4.33Å; L140-L145 HydrophobicContact CD1-CD1 4.48Å; L140-F153 HydrophobicContact CD1-CE1 4.4Å; L140-F153 HydrophobicContact CD1-CZ 4.38Å; L140-H163 CarbonylContact C-O 3.01Å; L140-H163 WeakPolarHBondContact CA-O 3.33Å; L140-H163 PolarHBondContact N-O 3Å; L140-L164 HydrophobicContact CB-CD2 3.94Å; L140-L164 HydrophobicContact CD1-CD2 4.01Å; L140-N167 PolarHBondContact O-ND2 2.94Å
141	S	98.8	Very high	98	Very high	6 Å²	6	40.3 Å²	40.3	4%	0.042	21%	0.211	C	C	.	.			trans	-65.4	153.8	-177.8	64.1	0	0	0	0	112.9	S117 S118 D139 N143 H163 R165	S117-S141 CarbonylContact C-O 3.54Å; S117-S141 WeakPolarHBondContact CA-O 3.31Å; S117-S141 VanDerWaalsContact CB-O 3.24Å; S117-S141 WeakPolarHBondContact CB-O 3.25Å; S117-S141 VanDerWaalsContact CB-OG 3.23Å; S117-S141 WeakPolarHBondContact CB-OG 3.24Å; S118-S141 PolarHBondContact N-O 2.89Å; D139-S141 WeakPolarHBondContact OD1-CB 3.31Å; D139-S141 PolarHBondContact OD1-N 3.27Å; D139-S141 PolarHBondContact OD1-OG 3.35Å; D139-S141 PolarHBondContact OD2-OG 3.15Å; S141-N143 PolarHBondContact O-N 3.34Å; S141-N143 PolarHBondContact O-ND2 3.32Å; S141-H163 PolarHBondContact N-O 3.02Å; S141-R165 CarbonylContact C-O 3.41Å; S141-R165 WeakPolarHBondContact CA-O 3.17Å; S141-R165 WeakPolarHBondContact CB-O 3.38Å
142	F	98.8	Very high	98.2	Very high	81 Å²	81	38.7 Å²	38.7	36%	0.355	20%	0.204	S	C	.	.	S	Bend	trans	53.5	49.7	-178.7	-53.7	-84.1	0	0	0	113.4	S118 N119 R165 S166	S118-F142 WeakPolarHBondContact CA-O 3.19Å; S118-F142 PolarHBondContact N-O 3.27Å; N119-F142 PolarHBondContact N-O 3Å; F142-R165 PolarHBondContact N-O 3.07Å; F142-S166 WeakPolarHBondContact CA-O 3.23Å; F142-S166 VanDerWaalsContact CD1-CB 3.46Å; F142-S166 WeakPolarHBondContact CD1-OG 3.37Å
143	N	98.8	Very high	98.2	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.043	20%	0.204	C	C	.	.	S	Bend	trans	-115.7	-170.9	169.8	-84.7	-72.3	0	0	0	109.7	L116 N119 I121 L140 S141 L145 N167	L116-N143 PolarHBondContact O-ND2 3.02Å; N119-N143 WeakPolarHBondContact CA-OD1 3.11Å; N119-N143 WeakPolarHBondContact CB-OD1 3.31Å; N119-N143 PolarHBondContact O-OD1 3.42Å; I121-N143 HydrophobicContact CB-CB 4.29Å; I121-N143 VanDerWaalsContact CB-OD1 3.3Å; I121-N143 WeakPolarHBondContact CB-OD1 3.37Å; I121-N143 VanDerWaalsContact CG1-OD1 3.31Å; I121-N143 WeakPolarHBondContact CG1-OD1 3.37Å; I121-N143 PolarHBondContact N-OD1 2.81Å; L140-N143 PolarHBondContact O-ND2 3.44Å; L140-N143 VanDerWaalsContact O-ND2 3.08Å; S141-N143 PolarHBondContact O-N 3.34Å; S141-N143 PolarHBondContact O-ND2 3.32Å; N143-L145 HydrophobicContact CB-CG 4.31Å; N143-N167 WeakPolarHBondContact CA-OD1 3.28Å; N143-N167 WeakPolarHBondContact CB-OD1 3.36Å; N143-N167 PolarHBondContact O-OD1 3.18Å
144	Q	98.6	Very high	98.2	Very high	105 Å²	105	41.2 Å²	41.2	49%	0.491	21%	0.209	S	C	.	.			trans	-114.9	24.9	-176.6	-59.4	179.7	5.4	0	0	111.5	I121 F122 S146 N167	I121-Q144 CarbonylContact O-C 3.58Å; I121-Q144 VanDerWaalsContact O-C 3.24Å; I121-Q144 WeakPolarHBondContact O-CA 3.5Å; I121-Q144 PolarHBondContact O-N 2.89Å; F122-Q144 HydrophobicContact CB-CB 4.31Å; Q144-S146 PolarHBondContact O-N 3.28Å; Q144-N167 PolarHBondContact N-OD1 3.41Å
145	L	98.5	Very high	98	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.209	C	C	.	.			trans	-63.5	121.7	-177.4	-61.4	169.3	0	0	0	109.8	I121 L124 L140 N143 L148 L164 N167 S168 L169	I121-L145 HydrophobicContact CG2-CD2 3.9Å; I121-L145 PolarHBondContact O-N 3Å; L124-L145 HydrophobicContact CD1-CD1 4.32Å; L124-L145 HydrophobicContact CD1-CD2 4.08Å; L124-L145 HydrophobicContact CG-CD2 4.17Å; L140-L145 HydrophobicContact CB-CD1 4.33Å; L140-L145 HydrophobicContact CD1-CD1 4.48Å; N143-L145 HydrophobicContact CB-CG 4.31Å; L145-L148 HydrophobicContact CD1-CD2 4.06Å; L145-L164 HydrophobicContact CD1-CD2 4.16Å; L145-N167 HydrophobicContact CB-CB 4.25Å; L145-N167 VanDerWaalsContact CB-OD1 3.29Å; L145-N167 WeakPolarHBondContact CB-OD1 3.39Å; L145-N167 WeakPolarHBondContact CG-OD1 3.5Å; L145-N167 PolarHBondContact N-OD1 3.11Å; L145-S168 CarbonylContact O-C 3.35Å; L145-S168 WeakPolarHBondContact O-CA 3.36Å; L145-S168 PolarHBondContact O-N 3.26Å; L145-L169 HydrophobicContact CB-CD2 4.01Å; L145-L169 WeakPolarHBondContact O-CD2 3.36Å; L145-L169 PolarHBondContact O-N 3.2Å
146	S	97.5	Very high	98	Very high	57 Å²	57	40.2 Å²	40.2	40%	0.399	21%	0.209	S	C	.	.			trans	-97.1	-22.3	176.6	56.4	0	0	0	0	113.5	Q144	Q144-S146 PolarHBondContact O-N 3.28Å
147	S	97.1	Very high	97.9	Very high	72 Å²	72	43.1 Å²	43.1	50%	0.503	22%	0.217	S	C	.	.			trans	-155.4	154.7	-178	51.7	0	0	0	0	110.1
148	L	97.8	Very high	97.9	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.068	23%	0.23	C	C	.	.			trans	-118.2	140.6	174.1	-58.5	175.7	0	0	0	109.2	L145 L152 F153 L164 L169 P173 L176	L145-L148 HydrophobicContact CD1-CD2 4.06Å; L148-L152 HydrophobicContact CB-CD2 4.37Å; L148-L152 HydrophobicContact CD2-CD2 3.85Å; L148-F153 HydrophobicContact CD1-CE2 4.38Å; L148-L164 HydrophobicContact CD1-CD1 3.82Å; L148-L164 HydrophobicContact CD1-CD2 4.26Å; L148-L164 HydrophobicContact CD2-CD2 4.46Å; L148-L169 HydrophobicContact CD1-CD1 3.97Å; L148-L169 HydrophobicContact CD1-CD2 4.36Å; L148-L169 HydrophobicContact CD2-CD2 4.17Å; L148-L169 HydrophobicContact CG-CD1 4.36Å; L148-L169 HydrophobicContact CG-CD2 3.83Å; L148-P173 VanDerWaalsContact O-CG 3.25Å; L148-P173 WeakPolarHBondContact O-CG 3.42Å; L148-L176 HydrophobicContact CB-CD1 4.14Å; L148-L176 HydrophobicContact CB-CD2 4.25Å; L148-L176 HydrophobicContact CD1-CD2 3.54Å
149	H	97.7	Very high	97.9	Very high	77 Å²	77	46.5 Å²	46.5	36%	0.356	23%	0.23	S	C	.	.			trans	-67.4	138.8	172.7	-169.1	-91.7	0	0	0	109.8	N126 E151 L152 L176	N126-H149 HydrophobicContact CB-CB 4.18Å; N126-H149 VanDerWaalsContact CB-ND1 3.3Å; N126-H149 WeakPolarHBondContact CB-ND1 3.35Å; H149-E151 PolarHBondContact ND1-N 2.93Å; H149-E151 PolarHBondContact O-N 3.49Å; H149-L152 HydrophobicContact CB-CB 4.29Å; H149-L152 VanDerWaalsContact O-CB 3.31Å; H149-L152 WeakPolarHBondContact O-CB 2.92Å; H149-L152 PolarHBondContact O-N 3.29Å; H149-L176 WeakPolarHBondContact O-CD1 3.34Å
150	P	96.8	Very high	97.9	Very high	44 Å²	44	49.2 Å²	49.2	29%	0.286	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.4	-177	-25.9	34.1	0	0	0	115.5	P173 L176	P150-P173 HydrophobicContact CB-CB 3.97Å; P150-P173 HydrophobicContact CG-CB 3.97Å; P150-P173 HydrophobicContact CG-CG 4.25Å; P150-L176 WeakPolarHBondContact O-CA 3.36Å
151	E	97.1	Very high	97.9	Very high	90 Å²	90	51 Å²	51	42%	0.421	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	9.6	-178	-65.7	171.4	-177.9	0	0	113.1	H149 F153 Y154	H149-E151 PolarHBondContact ND1-N 2.93Å; H149-E151 PolarHBondContact O-N 3.49Å; E151-F153 PolarHBondContact O-N 3.11Å; E151-Y154 WeakPolarHBondContact O-CB 3.14Å; E151-Y154 PolarHBondContact O-N 2.95Å
152	L	97.9	Very high	97.9	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.6	-174.8	-176.6	63.7	0	0	0	113.6	L124 P125 F129 L148 H149 L176	L124-L152 HydrophobicContact CB-CD1 4.01Å; L124-L152 HydrophobicContact CB-CD2 4.45Å; L124-L152 HydrophobicContact CD1-CD2 4.14Å; P125-L152 VanDerWaalsContact O-CD1 3.3Å; P125-L152 WeakPolarHBondContact O-CD1 3.31Å; F129-L152 HydrophobicContact CD2-CD1 3.9Å; F129-L152 HydrophobicContact CD2-CG 4Å; F129-L152 HydrophobicContact CE2-CD1 4.01Å; F129-L152 HydrophobicContact CE2-CD2 4.36Å; F129-L152 HydrophobicContact CE2-CG 4.13Å; L148-L152 HydrophobicContact CB-CD2 4.37Å; L148-L152 HydrophobicContact CD2-CD2 3.85Å; H149-L152 HydrophobicContact CB-CB 4.29Å; H149-L152 VanDerWaalsContact O-CB 3.31Å; H149-L152 WeakPolarHBondContact O-CB 2.92Å; H149-L152 PolarHBondContact O-N 3.29Å; L152-L176 HydrophobicContact CB-CD1 4.27Å
153	F	97.7	Very high	97.9	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	17.5	179.1	-53.4	-43.5	0	0	0	112.9	F129 L138 L140 L148 E151 G155 L156 L162 L164 L176 F177	F129-F153 HydrophobicContact CD2-CD1 4.07Å; F129-F153 AromaticContact CD2-CE1 3.95Å; F129-F153 HydrophobicContact CD2-CE1 3.95Å; F129-F153 AromaticContact CE2-CE1 3.99Å; F129-F153 HydrophobicContact CE2-CE1 3.99Å; L138-F153 HydrophobicContact CD2-CD1 4.19Å; L138-F153 HydrophobicContact CD2-CE1 3.66Å; L140-F153 HydrophobicContact CD1-CE1 4.4Å; L140-F153 HydrophobicContact CD1-CZ 4.38Å; L148-F153 HydrophobicContact CD1-CE2 4.38Å; E151-F153 PolarHBondContact O-N 3.11Å; F153-G155 PolarHBondContact O-N 3Å; F153-L156 HydrophobicContact CB-CD1 4.02Å; F153-L156 HydrophobicContact CD1-CD1 3.88Å; F153-L156 HydrophobicContact CG-CD1 4.36Å; F153-L156 PolarHBondContact O-N 3.22Å; F153-L162 HydrophobicContact CD2-CD2 3.94Å; F153-L162 HydrophobicContact CE1-CD1 4.34Å; F153-L162 HydrophobicContact CE2-CD1 4.41Å; F153-L162 HydrophobicContact CE2-CD2 3.55Å; F153-L162 HydrophobicContact CZ-CD1 3.98Å; F153-L162 HydrophobicContact CZ-CD2 3.97Å; F153-L164 HydrophobicContact CE2-CD1 4.28Å; F153-L164 HydrophobicContact CZ-CD1 4.41Å; F153-L176 HydrophobicContact CD2-CD1 3.65Å; F153-L176 HydrophobicContact CD2-CD2 4.28Å; F153-L176 HydrophobicContact CD2-CG 3.76Å; F153-L176 HydrophobicContact CE2-CD1 3.92Å; F153-L176 HydrophobicContact CE2-CD2 4.06Å; F153-L176 HydrophobicContact CE2-CG 4.04Å; F153-L176 HydrophobicContact CG-CD1 4.44Å; F153-F177 HydrophobicContact CD2-CD1 4.32Å; F153-F177 HydrophobicContact CD2-CE1 4.14Å; F153-F177 HydrophobicContact CE2-CE1 4.21Å
154	Y	97	Very high	97.9	Very high	144 Å²	144	48.7 Å²	48.7	57%	0.565	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	134.6	177.9	-172.4	-100.1	0	0	0	110.8	E151 L156	E151-Y154 WeakPolarHBondContact O-CB 3.14Å; E151-Y154 PolarHBondContact O-N 2.95Å; Y154-L156 VanDerWaalsContact C-N 3.28Å; Y154-L156 PolarHBondContact O-N 2.97Å
155	G	95.7	Very high	97.9	Very high	23 Å²	23	47.8 Å²	47.8	24%	0.237	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	-6.1	180	0	0	0	0	0	116.3	F153 R157	F153-G155 PolarHBondContact O-N 3Å; G155-R157 PolarHBondContact O-N 2.79Å
156	L	97.7	Very high	97.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.245	C	C	.	.			trans	-75.9	56.3	178.7	-61.5	-173.1	0	0	0	113	F129 L132 L135 F153 Y154 K158 L159	F129-L156 HydrophobicContact CB-CD1 4.11Å; F129-L156 HydrophobicContact CB-CD2 4.47Å; F129-L156 WeakPolarHBondContact O-CD2 3.13Å; L132-L156 HydrophobicContact CB-CD2 4.42Å; L132-L156 WeakPolarHBondContact O-CD2 3.4Å; L135-L156 HydrophobicContact CB-CD2 4.35Å; L135-L156 HydrophobicContact CD2-CD1 4.45Å; F153-L156 HydrophobicContact CB-CD1 4.02Å; F153-L156 HydrophobicContact CD1-CD1 3.88Å; F153-L156 HydrophobicContact CG-CD1 4.36Å; F153-L156 PolarHBondContact O-N 3.22Å; Y154-L156 VanDerWaalsContact C-N 3.28Å; Y154-L156 PolarHBondContact O-N 2.97Å; L156-K158 PolarHBondContact O-N 2.83Å; L156-L159 HydrophobicContact CB-CB 4.12Å; L156-L159 HydrophobicContact CB-CD2 4.46Å; L156-L159 HydrophobicContact CD1-CD2 4.19Å; L156-L159 VanDerWaalsContact O-CB 3.32Å; L156-L159 WeakPolarHBondContact O-CB 3.26Å; L156-L159 PolarHBondContact O-N 3.14Å
157	R	97.3	Very high	98	Very high	128 Å²	128	47 Å²	47	48%	0.483	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-20	-172.7	-64.2	176.7	-177.9	177.5	3.8	114.3	G155 D179 S182	G155-R157 PolarHBondContact O-N 2.79Å; R157-D179 WeakPolarHBondContact CA-O 3.28Å; R157-D179 IonicContact CZ-OD2 3.91Å; R157-D179 IonicContact NE-OD2 3.29Å; R157-D179 PolarHBondContact NE-OD2 2.93Å; R157-D179 IonicContact NH2-OD2 3.57Å; R157-S182 VanDerWaalsContact O-CB 3.23Å; R157-S182 WeakPolarHBondContact O-CB 3.47Å; R157-S182 PolarHBondContact O-OG 3.48Å
158	K	98.4	Very high	98	Very high	101 Å²	101	44.9 Å²	44.9	44%	0.439	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-2.8	179.9	-67.2	-175	179.8	180	0	113.3	N134 L135 L156 Q160	N134-K158 PolarHBondContact OD1-NZ 2.9Å; L135-K158 CarbonylContact O-C 3.19Å; L156-K158 PolarHBondContact O-N 2.83Å; K158-Q160 PolarHBondContact O-N 3.03Å
159	L	98.7	Very high	98.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.21	C	C	.	.			trans	-63.2	127.8	179.4	-163.6	69.9	0	0	0	109.3	L135 L138 L156 L162 S182 L183	L135-L159 HydrophobicContact CB-CD1 4.45Å; L135-L159 HydrophobicContact CD2-CD1 4.12Å; L135-L159 HydrophobicContact CG-CD1 4.15Å; L135-L159 VanDerWaalsContact O-CA 3.32Å; L135-L159 WeakPolarHBondContact O-CA 3.39Å; L135-L159 PolarHBondContact O-N 2.64Å; L138-L159 HydrophobicContact CB-CD1 3.86Å; L156-L159 HydrophobicContact CB-CB 4.12Å; L156-L159 HydrophobicContact CB-CD2 4.46Å; L156-L159 HydrophobicContact CD1-CD2 4.19Å; L156-L159 VanDerWaalsContact O-CB 3.32Å; L156-L159 WeakPolarHBondContact O-CB 3.26Å; L156-L159 PolarHBondContact O-N 3.14Å; L159-L162 HydrophobicContact CD2-CB 4.17Å; L159-L162 HydrophobicContact CD2-CD1 4.48Å; L159-L162 HydrophobicContact CD2-CD2 4.42Å; L159-S182 CarbonylContact O-C 3.22Å; L159-L183 HydrophobicContact CB-CD1 4.22Å; L159-L183 HydrophobicContact CD2-CD1 3.9Å; L159-L183 HydrophobicContact CG-CD1 3.76Å; L159-L183 WeakPolarHBondContact O-CA 3.43Å; L159-L183 PolarHBondContact O-N 3.34Å
160	Q	98.8	Very high	98	Very high	81 Å²	81	47.7 Å²	47.7	38%	0.379	22%	0.22	S	C	.	.			trans	-110.3	-40.9	-178.1	-67.6	-178.8	-10.2	0	0	111.3	Q136 K158 E184 F185	Q136-Q160 WeakPolarHBondContact O-CA 3.18Å; Q136-Q160 PolarHBondContact O-N 3.39Å; K158-Q160 PolarHBondContact O-N 3.03Å; Q160-E184 PolarHBondContact O-N 3.23Å; Q160-F185 PolarHBondContact O-N 3.06Å
161	T	98.9	Very high	98	Very high	38 Å²	38	49.6 Å²	49.6	23%	0.233	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.4	-178.1	58.7	0	0	0	0	110.4	Q136 N137 L138 F185	Q136-T161 PolarHBondContact O-N 3.1Å; N137-T161 WeakPolarHBondContact CA-OG1 3.08Å; N137-T161 VanDerWaalsContact CB-OG1 3.32Å; N137-T161 WeakPolarHBondContact CB-OG1 3.22Å; N137-T161 PolarHBondContact OD1-OG1 2.72Å; L138-T161 PolarHBondContact N-O 2.92Å; T161-F185 HydrophobicContact CG2-CB 4Å
162	L	98.9	Very high	97.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	116.6	176.8	177.2	58.9	0	0	0	110.2	L138 F153 L159 L164 F177 L183 F185 L186 D187	L138-L162 HydrophobicContact CB-CD1 4.04Å; L138-L162 HydrophobicContact CD2-CD1 3.9Å; L138-L162 HydrophobicContact CG-CD1 3.99Å; L138-L162 WeakPolarHBondContact O-CA 3.32Å; F153-L162 HydrophobicContact CD2-CD2 3.94Å; F153-L162 HydrophobicContact CE1-CD1 4.34Å; F153-L162 HydrophobicContact CE2-CD1 4.41Å; F153-L162 HydrophobicContact CE2-CD2 3.55Å; F153-L162 HydrophobicContact CZ-CD1 3.98Å; F153-L162 HydrophobicContact CZ-CD2 3.97Å; L159-L162 HydrophobicContact CD2-CB 4.17Å; L159-L162 HydrophobicContact CD2-CD1 4.48Å; L159-L162 HydrophobicContact CD2-CD2 4.42Å; L162-L164 HydrophobicContact CD1-CG 4.32Å; L162-L164 HydrophobicContact CD2-CD1 4.07Å; L162-L164 HydrophobicContact CG-CD1 4.19Å; L162-L164 HydrophobicContact CG-CG 4.32Å; L162-F177 HydrophobicContact CD2-CD1 4.46Å; L162-F177 HydrophobicContact CD2-CE1 3.76Å; L162-L183 HydrophobicContact CB-CD1 3.85Å; L162-L183 HydrophobicContact CB-CD2 4.35Å; L162-F185 PolarHBondContact N-O 3.02Å; L162-L186 HydrophobicContact CB-CD1 4.07Å; L162-L186 HydrophobicContact CD2-CD1 3.83Å; L162-L186 HydrophobicContact CG-CD1 3.97Å; L162-D187 PolarHBondContact O-N 2.97Å
163	H	98.9	Very high	97.9	Very high	46 Å²	46	47.9 Å²	47.9	21%	0.213	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.9	177.5	-53.3	-94.7	0	0	0	110.5	L138 D139 L140 S141 F185	L138-H163 PolarHBondContact O-N 3.3Å; D139-H163 HydrophobicContact CB-CB 4.24Å; D139-H163 VanDerWaalsContact OD1-CB 3.31Å; D139-H163 WeakPolarHBondContact OD1-CB 3.44Å; L140-H163 CarbonylContact C-O 3.01Å; L140-H163 WeakPolarHBondContact CA-O 3.33Å; L140-H163 PolarHBondContact N-O 3Å; S141-H163 PolarHBondContact N-O 3.02Å; H163-F185 AromaticContact CE1-CD1 3.76Å; H163-F185 AromaticContact CE1-CE1 3.25Å; H163-F185 WeakPolarHBondContact CE1-CE1 3.33Å; H163-F185 AromaticContact ND1-CE1 3.42Å; H163-F185 WeakPolarHBondContact ND1-CE1 3.29Å
164	L	98.8	Very high	97.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.244	C	C	.	.			trans	-123.8	14.7	175.2	-75.2	165	0	0	0	111.4	L140 L145 L148 F153 L162 N167 L169 D187 L188 N191	L140-L164 HydrophobicContact CB-CD2 3.94Å; L140-L164 HydrophobicContact CD1-CD2 4.01Å; L145-L164 HydrophobicContact CD1-CD2 4.16Å; L148-L164 HydrophobicContact CD1-CD1 3.82Å; L148-L164 HydrophobicContact CD1-CD2 4.26Å; L148-L164 HydrophobicContact CD2-CD2 4.46Å; F153-L164 HydrophobicContact CE2-CD1 4.28Å; F153-L164 HydrophobicContact CZ-CD1 4.41Å; L162-L164 HydrophobicContact CD1-CG 4.32Å; L162-L164 HydrophobicContact CD2-CD1 4.07Å; L162-L164 HydrophobicContact CG-CD1 4.19Å; L162-L164 HydrophobicContact CG-CG 4.32Å; L164-N167 PolarHBondContact O-ND2 2.97Å; L164-L169 HydrophobicContact CB-CD1 4.44Å; L164-D187 CarbonylContact C-O 3.49Å; L164-D187 VanDerWaalsContact CA-O 3.29Å; L164-D187 WeakPolarHBondContact CA-O 3.13Å; L164-D187 WeakPolarHBondContact CB-O 3.27Å; L164-D187 PolarHBondContact N-O 3.22Å; L164-L188 HydrophobicContact CB-CD2 3.89Å; L164-L188 HydrophobicContact CD1-CD2 3.73Å; L164-L188 HydrophobicContact CG-CD2 4.48Å; L164-N191 PolarHBondContact O-ND2 2.58Å
165	R	98.8	Very high	97.7	Very high	85 Å²	85	50.1 Å²	50.1	32%	0.321	24%	0.24	S	C	.	.			trans	-55.3	144.9	-179	-179.5	164.2	70.5	90.2	0.8	113	S141 F142 N167 D187 S189	S141-R165 CarbonylContact C-O 3.41Å; S141-R165 WeakPolarHBondContact CA-O 3.17Å; S141-R165 WeakPolarHBondContact CB-O 3.38Å; F142-R165 PolarHBondContact N-O 3.07Å; R165-N167 PolarHBondContact O-N 3.09Å; R165-D187 WeakPolarHBondContact CB-OD2 3.42Å; R165-D187 WeakPolarHBondContact CD-OD2 3.29Å; R165-D187 PolarHBondContact N-O 3.33Å; R165-D187 IonicContact NE-OD2 3.67Å; R165-S189 CarbonylContact C-O 3.27Å; R165-S189 VanDerWaalsContact CA-O 3.26Å; R165-S189 WeakPolarHBondContact CA-O 3.25Å; R165-S189 WeakPolarHBondContact CD-OG 3.28Å; R165-S189 WeakPolarHBondContact CG-OG 3.38Å
166	S	98.7	Very high	97.7	Very high	34 Å²	34	49.1 Å²	49.1	24%	0.238	23%	0.23	C	C	.	.	S	Bend	trans	57.9	49.6	173.1	-170.9	0	0	0	0	112.5	F142 S189 T190	F142-S166 WeakPolarHBondContact CA-O 3.23Å; F142-S166 VanDerWaalsContact CD1-CB 3.46Å; F142-S166 WeakPolarHBondContact CD1-OG 3.37Å; S166-S189 PolarHBondContact N-O 3.07Å; S166-T190 WeakPolarHBondContact CA-O 3.33Å; S166-T190 PolarHBondContact N-O 2.83Å
167	N	98.8	Very high	97.7	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.043	23%	0.229	C	C	.	.	S	Bend	trans	-112.2	-171	167.9	-83.6	-79.5	0	0	0	109.6	L140 N143 Q144 L145 L164 R165 L169 T190 N191	L140-N167 PolarHBondContact O-ND2 2.94Å; N143-N167 WeakPolarHBondContact CA-OD1 3.28Å; N143-N167 WeakPolarHBondContact CB-OD1 3.36Å; N143-N167 PolarHBondContact O-OD1 3.18Å; Q144-N167 PolarHBondContact N-OD1 3.41Å; L145-N167 HydrophobicContact CB-CB 4.25Å; L145-N167 VanDerWaalsContact CB-OD1 3.29Å; L145-N167 WeakPolarHBondContact CB-OD1 3.39Å; L145-N167 WeakPolarHBondContact CG-OD1 3.5Å; L145-N167 PolarHBondContact N-OD1 3.11Å; L164-N167 PolarHBondContact O-ND2 2.97Å; R165-N167 PolarHBondContact O-N 3.09Å; N167-L169 HydrophobicContact CB-CG 4.13Å; N167-T190 PolarHBondContact N-O 2.98Å; N167-N191 WeakPolarHBondContact CA-OD1 3.46Å; N167-N191 WeakPolarHBondContact CB-OD1 3.37Å; N167-N191 PolarHBondContact O-OD1 2.78Å
168	S	98.4	Very high	97.7	Very high	27 Å²	27	49.3 Å²	49.3	19%	0.189	23%	0.23	C	C	.	.			trans	-113.1	28.5	178.4	-69.5	0	0	0	0	112.6	L145 R170 R192	L145-S168 CarbonylContact O-C 3.35Å; L145-S168 WeakPolarHBondContact O-CA 3.36Å; L145-S168 PolarHBondContact O-N 3.26Å; S168-R170 PolarHBondContact O-N 2.8Å; S168-R192 PolarHBondContact OG-NH2 2.91Å
169	L	98.3	Very high	97.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.214	C	C	.	.			trans	-64.4	126.4	-176.2	-59	176.8	0	0	0	110.4	L145 L148 L164 N167 I172 L188 N191 R192 L193	L145-L169 HydrophobicContact CB-CD2 4.01Å; L145-L169 WeakPolarHBondContact O-CD2 3.36Å; L145-L169 PolarHBondContact O-N 3.2Å; L148-L169 HydrophobicContact CD1-CD1 3.97Å; L148-L169 HydrophobicContact CD1-CD2 4.36Å; L148-L169 HydrophobicContact CD2-CD2 4.17Å; L148-L169 HydrophobicContact CG-CD1 4.36Å; L148-L169 HydrophobicContact CG-CD2 3.83Å; L164-L169 HydrophobicContact CB-CD1 4.44Å; N167-L169 HydrophobicContact CB-CG 4.13Å; L169-I172 HydrophobicContact CD1-CD1 3.96Å; L169-L188 HydrophobicContact CD1-CD2 4.22Å; L169-N191 HydrophobicContact CB-CB 4.31Å; L169-N191 VanDerWaalsContact CB-OD1 3.28Å; L169-N191 WeakPolarHBondContact CB-OD1 3.46Å; L169-N191 WeakPolarHBondContact CG-OD1 3.31Å; L169-N191 PolarHBondContact N-OD1 2.88Å; L169-R192 CarbonylContact O-C 3.49Å; L169-R192 VanDerWaalsContact O-CA 3.27Å; L169-R192 WeakPolarHBondContact O-CA 3.4Å; L169-R192 PolarHBondContact O-N 3.45Å; L169-L193 HydrophobicContact CB-CD2 4.16Å; L169-L193 PolarHBondContact O-N 3.01Å
170	R	97.1	Very high	97.5	Very high	149 Å²	149	45.3 Å²	45.3	56%	0.562	21%	0.214	S	C	*	.			trans	-99	-25.4	179	-56.6	-177.3	-168.5	-167.3	3.1	113.2	S168 R192	S168-R170 PolarHBondContact O-N 2.8Å; R170-R192 HydrophobicContact CG-CB 4.38Å
171	T	95.8	Very high	97.4	Very high	85 Å²	85	47 Å²	47	52%	0.521	22%	0.217	S	C	.	.			trans	-149.1	158.4	-178.8	-172.7	0	0	0	0	109.5
172	I	96.3	Very high	97.4	Very high	27 Å²	27	46.8 Å²	46.8	14%	0.138	22%	0.217	C	C	.	.			trans	-119.5	123.6	173.9	-58.9	-61.1	0	0	0	108.2	L169 V174 L176 F177 L188 L193	L169-I172 HydrophobicContact CD1-CD1 3.96Å; I172-V174 PolarHBondContact O-N 3.42Å; I172-L176 HydrophobicContact CG2-CB 4.4Å; I172-L176 HydrophobicContact CG2-CD2 3.78Å; I172-F177 HydrophobicContact CG2-CE2 3.76Å; I172-F177 HydrophobicContact CG2-CZ 4.23Å; I172-L188 HydrophobicContact CD1-CD2 3.86Å; I172-L188 HydrophobicContact CG1-CD1 4.42Å; I172-L193 HydrophobicContact CD1-CD2 4.04Å; I172-L193 HydrophobicContact CG1-CD1 4.13Å; I172-L193 HydrophobicContact CG1-CD2 3.8Å
173	P	96.1	Very high	97.4	Very high	28 Å²	28	46.8 Å²	46.8	18%	0.182	22%	0.217	C	C	.	.			trans	-60.4	136.6	174.5	-20.2	30.2	0	0	0	111.8	L148 P150 R175 L176	L148-P173 VanDerWaalsContact O-CG 3.25Å; L148-P173 WeakPolarHBondContact O-CG 3.42Å; P150-P173 HydrophobicContact CB-CB 3.97Å; P150-P173 HydrophobicContact CG-CB 3.97Å; P150-P173 HydrophobicContact CG-CG 4.25Å; P173-R175 PolarHBondContact O-N 2.97Å; P173-R175 VanDerWaalsContact O-N 3.14Å; P173-L176 HydrophobicContact CB-CB 4.32Å; P173-L176 WeakPolarHBondContact O-CB 3.35Å; P173-L176 PolarHBondContact O-N 3.36Å; P173-L176 VanDerWaalsContact O-N 3.09Å
174	V	94.9	Very high	97.4	Very high	62 Å²	62	47.7 Å²	47.7	38%	0.376	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.2	-176.3	-179.9	0	0	0	0	113.3	I172 W178 A197 N199	I172-V174 PolarHBondContact O-N 3.42Å; V174-W178 PolarHBondContact O-NE1 3.29Å; V174-A197 HydrophobicContact CG2-CB 3.77Å; V174-N199 HydrophobicContact CG1-CB 4.37Å
175	R	96	Very high	97.4	Very high	129 Å²	129	49.5 Å²	49.5	49%	0.487	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-3.9	-178.5	-56	-162.7	-63.7	-145.7	3.6	114.4	P173 F177 W178	P173-R175 PolarHBondContact O-N 2.97Å; P173-R175 VanDerWaalsContact O-N 3.14Å; R175-F177 PolarHBondContact O-N 3.25Å; R175-F177 VanDerWaalsContact O-N 3.12Å; R175-W178 HydrophobicContact CB-CD2 4.05Å; R175-W178 HydrophobicContact CB-CE3 4.32Å; R175-W178 HydrophobicContact CB-CG 4.41Å; R175-W178 HydrophobicContact CG-CD2 4.09Å; R175-W178 HydrophobicContact CG-CE3 4.23Å; R175-W178 HydrophobicContact CG-CH2 3.86Å; R175-W178 HydrophobicContact CG-CZ2 3.67Å; R175-W178 HydrophobicContact CG-CZ3 4.12Å; R175-W178 PolarHBondContact O-N 3.37Å
176	L	97.3	Very high	97.4	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-35.1	-169.5	-176.8	66.2	0	0	0	113	L148 H149 P150 L152 F153 I172 P173	L148-L176 HydrophobicContact CB-CD1 4.14Å; L148-L176 HydrophobicContact CB-CD2 4.25Å; L148-L176 HydrophobicContact CD1-CD2 3.54Å; H149-L176 WeakPolarHBondContact O-CD1 3.34Å; P150-L176 WeakPolarHBondContact O-CA 3.36Å; L152-L176 HydrophobicContact CB-CD1 4.27Å; F153-L176 HydrophobicContact CD2-CD1 3.65Å; F153-L176 HydrophobicContact CD2-CD2 4.28Å; F153-L176 HydrophobicContact CD2-CG 3.76Å; F153-L176 HydrophobicContact CE2-CD1 3.92Å; F153-L176 HydrophobicContact CE2-CD2 4.06Å; F153-L176 HydrophobicContact CE2-CG 4.04Å; F153-L176 HydrophobicContact CG-CD1 4.44Å; I172-L176 HydrophobicContact CG2-CB 4.4Å; I172-L176 HydrophobicContact CG2-CD2 3.78Å; P173-L176 HydrophobicContact CB-CB 4.32Å; P173-L176 WeakPolarHBondContact O-CB 3.35Å; P173-L176 PolarHBondContact O-N 3.36Å; P173-L176 VanDerWaalsContact O-N 3.09Å
177	F	97.1	Very high	97.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	8.1	-171.9	-56	-54.4	0	0	0	115	F153 L162 I172 R175 D179 C180 L186 F201 A202 L204	F153-F177 HydrophobicContact CD2-CD1 4.32Å; F153-F177 HydrophobicContact CD2-CE1 4.14Å; F153-F177 HydrophobicContact CE2-CE1 4.21Å; L162-F177 HydrophobicContact CD2-CD1 4.46Å; L162-F177 HydrophobicContact CD2-CE1 3.76Å; I172-F177 HydrophobicContact CG2-CE2 3.76Å; I172-F177 HydrophobicContact CG2-CZ 4.23Å; R175-F177 PolarHBondContact O-N 3.25Å; R175-F177 VanDerWaalsContact O-N 3.12Å; F177-D179 PolarHBondContact O-N 2.87Å; F177-D179 VanDerWaalsContact O-N 3.14Å; F177-C180 PolarHBondContact O-N 3Å; F177-C180 VanDerWaalsContact O-N 3.14Å; F177-L186 HydrophobicContact CE1-CD1 4.19Å; F177-L186 HydrophobicContact CE1-CD2 4.29Å; F177-L186 HydrophobicContact CE2-CD2 3.89Å; F177-L186 HydrophobicContact CZ-CD1 4.09Å; F177-L186 HydrophobicContact CZ-CD2 3.77Å; F177-F201 HydrophobicContact CD2-CD1 4.44Å; F177-F201 HydrophobicContact CE2-CD1 4.45Å; F177-A202 CarbonylContact C-O 3.59Å; F177-L204 HydrophobicContact CB-CD1 4.07Å; F177-L204 HydrophobicContact CB-CD2 3.75Å; F177-L204 HydrophobicContact CB-CG 3.78Å; F177-L204 HydrophobicContact CD2-CD1 3.96Å; F177-L204 HydrophobicContact CG-CD1 4.04Å; F177-L204 HydrophobicContact CG-CD2 4.25Å; F177-L204 HydrophobicContact CG-CG 4.29Å
178	W	96.1	Very high	97.4	Very high	132 Å²	132	44 Å²	44	50%	0.5	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.5	-172.3	-83.1	9.4	0	0	0	114.3	V174 R175	V174-W178 PolarHBondContact O-NE1 3.29Å; R175-W178 HydrophobicContact CB-CD2 4.05Å; R175-W178 HydrophobicContact CB-CE3 4.32Å; R175-W178 HydrophobicContact CB-CG 4.41Å; R175-W178 HydrophobicContact CG-CD2 4.09Å; R175-W178 HydrophobicContact CG-CE3 4.23Å; R175-W178 HydrophobicContact CG-CH2 3.86Å; R175-W178 HydrophobicContact CG-CZ2 3.67Å; R175-W178 HydrophobicContact CG-CZ3 4.12Å; R175-W178 PolarHBondContact O-N 3.37Å
179	D	96.5	Very high	97.4	Very high	17 Å²	17	42.8 Å²	42.8	9%	0.091	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-1.2	-176.5	-106.3	29.1	0	0	0	114.1	R157 F177 R181	R157-D179 WeakPolarHBondContact CA-O 3.28Å; R157-D179 IonicContact CZ-OD2 3.91Å; R157-D179 IonicContact NE-OD2 3.29Å; R157-D179 PolarHBondContact NE-OD2 2.93Å; R157-D179 IonicContact NH2-OD2 3.57Å; F177-D179 PolarHBondContact O-N 2.87Å; F177-D179 VanDerWaalsContact O-N 3.14Å; D179-R181 PolarHBondContact O-N 3.22Å; D179-R181 IonicContact OD1-CZ 3.86Å; D179-R181 IonicContact OD1-NH2 3.03Å; D179-R181 PolarHBondContact OD1-NH2 3.41Å
180	C	97.5	Very high	97.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.212	C	C	.	.			trans	-79.5	53.4	-179.5	-58.2	0	0	0	0	112.6	F177 S182 L183 L204	F177-C180 PolarHBondContact O-N 3Å; F177-C180 VanDerWaalsContact O-N 3.14Å; C180-S182 PolarHBondContact O-N 2.97Å; C180-S182 VanDerWaalsContact O-N 3.17Å; C180-L183 HydrophobicContact CB-CB 4.09Å; C180-L183 HydrophobicContact CB-CD2 4.47Å; C180-L183 WeakPolarHBondContact O-CB 3.31Å; C180-L183 PolarHBondContact O-N 2.95Å; C180-L183 VanDerWaalsContact O-N 3.15Å; C180-L204 HydrophobicContact CB-CD2 3.93Å
181	R	96.2	Very high	97.5	Very high	118 Å²	118	38.8 Å²	38.8	45%	0.445	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-17.5	-170	-61.1	179.4	-169.8	146.8	11.9	115.1	D179	D179-R181 PolarHBondContact O-N 3.22Å; D179-R181 IonicContact OD1-CZ 3.86Å; D179-R181 IonicContact OD1-NH2 3.03Å; D179-R181 PolarHBondContact OD1-NH2 3.41Å
182	S	98.2	Very high	97.6	Very high	33 Å²	33	40.2 Å²	40.2	23%	0.231	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	4.3	178.8	-54.7	0	0	0	0	113.5	R157 L159 C180 E184	R157-S182 VanDerWaalsContact O-CB 3.23Å; R157-S182 WeakPolarHBondContact O-CB 3.47Å; R157-S182 PolarHBondContact O-OG 3.48Å; L159-S182 CarbonylContact O-C 3.22Å; C180-S182 PolarHBondContact O-N 2.97Å; C180-S182 VanDerWaalsContact O-N 3.17Å; S182-E184 PolarHBondContact O-N 3.47Å
183	L	98.7	Very high	97.7	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.176	C	C	.	.			trans	-70.6	125.2	-174.2	-161.3	76.2	0	0	0	109.7	L159 L162 C180 L186 L204 K206 L207	L159-L183 HydrophobicContact CB-CD1 4.22Å; L159-L183 HydrophobicContact CD2-CD1 3.9Å; L159-L183 HydrophobicContact CG-CD1 3.76Å; L159-L183 WeakPolarHBondContact O-CA 3.43Å; L159-L183 PolarHBondContact O-N 3.34Å; L162-L183 HydrophobicContact CB-CD1 3.85Å; L162-L183 HydrophobicContact CB-CD2 4.35Å; C180-L183 HydrophobicContact CB-CB 4.09Å; C180-L183 HydrophobicContact CB-CD2 4.47Å; C180-L183 WeakPolarHBondContact O-CB 3.31Å; C180-L183 PolarHBondContact O-N 2.95Å; C180-L183 VanDerWaalsContact O-N 3.15Å; L183-L186 HydrophobicContact CD2-CB 4.1Å; L183-L186 HydrophobicContact CD2-CD1 4.42Å; L183-L204 HydrophobicContact CB-CD2 3.88Å; L183-L204 HydrophobicContact CD2-CD2 3.51Å; L183-L204 HydrophobicContact CG-CD2 4.31Å; L183-K206 CarbonylContact O-C 3.14Å; L183-L207 HydrophobicContact CD2-CD1 4.07Å; L183-L207 HydrophobicContact CG-CD1 4.11Å; L183-L207 WeakPolarHBondContact O-CA 3.33Å; L183-L207 PolarHBondContact O-N 3.37Å
184	E	98.8	Very high	97.7	Very high	64 Å²	64	45 Å²	45	30%	0.299	20%	0.195	S	C	.	.			trans	-110.7	-28.5	-179.7	-61.4	-167.4	-167.5	0	0	111.8	Q160 S182 R208 E209	Q160-E184 PolarHBondContact O-N 3.23Å; S182-E184 PolarHBondContact O-N 3.47Å; E184-R208 WeakPolarHBondContact O-CA 3.24Å; E184-R208 PolarHBondContact O-N 3.3Å; E184-R208 IonicContact OE1-NH1 3.94Å; E184-R208 IonicContact OE2-CZ 3.56Å; E184-R208 IonicContact OE2-NE 3.72Å; E184-R208 IonicContact OE2-NH1 2.75Å; E184-R208 PolarHBondContact OE2-NH1 3.35Å; E184-E209 PolarHBondContact O-N 3.48Å
185	F	98.9	Very high	97.7	Very high	39 Å²	39	46 Å²	46	17%	0.171	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.3	-179	-179.2	-83.5	0	0	0	110.9	Q160 T161 L162 H163 D187 E209 H211	Q160-F185 PolarHBondContact O-N 3.06Å; T161-F185 HydrophobicContact CG2-CB 4Å; L162-F185 PolarHBondContact N-O 3.02Å; H163-F185 AromaticContact CE1-CD1 3.76Å; H163-F185 AromaticContact CE1-CE1 3.25Å; H163-F185 WeakPolarHBondContact CE1-CE1 3.33Å; H163-F185 AromaticContact ND1-CE1 3.42Å; H163-F185 WeakPolarHBondContact ND1-CE1 3.29Å; F185-D187 HydrophobicContact CD1-CB 4.48Å; F185-D187 HydrophobicContact CE1-CB 3.5Å; F185-D187 HydrophobicContact CZ-CB 3.9Å; F185-E209 HydrophobicContact CD2-CB 3.93Å; F185-E209 HydrophobicContact CD2-CG 3.9Å; F185-E209 HydrophobicContact CE2-CB 4.48Å; F185-E209 HydrophobicContact CE2-CG 3.94Å; F185-H211 AromaticContact CE2-CD2 3.66Å; F185-H211 AromaticContact CE2-NE2 3.39Å; F185-H211 WeakPolarHBondContact CE2-NE2 3.42Å; F185-H211 AromaticContact CZ-CD2 3.63Å; F185-H211 AromaticContact CZ-NE2 3.62Å
186	L	98.8	Very high	97.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.6	175.8	176.5	58.8	0	0	0	110.6	L162 F177 L183 L188 F201 L204 L207 E209 L210 H211	L162-L186 HydrophobicContact CB-CD1 4.07Å; L162-L186 HydrophobicContact CD2-CD1 3.83Å; L162-L186 HydrophobicContact CG-CD1 3.97Å; F177-L186 HydrophobicContact CE1-CD1 4.19Å; F177-L186 HydrophobicContact CE1-CD2 4.29Å; F177-L186 HydrophobicContact CE2-CD2 3.89Å; F177-L186 HydrophobicContact CZ-CD1 4.09Å; F177-L186 HydrophobicContact CZ-CD2 3.77Å; L183-L186 HydrophobicContact CD2-CB 4.1Å; L183-L186 HydrophobicContact CD2-CD1 4.42Å; L186-L188 HydrophobicContact CD1-CG 4.18Å; L186-L188 HydrophobicContact CD2-CD1 3.99Å; L186-L188 HydrophobicContact CD2-CG 4.49Å; L186-L188 HydrophobicContact CG-CD1 4.2Å; L186-L188 HydrophobicContact CG-CG 4.17Å; L186-F201 HydrophobicContact CD2-CD1 4.45Å; L186-F201 HydrophobicContact CD2-CE1 4.24Å; L186-L204 HydrophobicContact CD2-CD1 3.86Å; L186-L207 HydrophobicContact CB-CD1 3.74Å; L186-L207 HydrophobicContact CB-CD2 4.34Å; L186-E209 PolarHBondContact N-O 2.98Å; L186-L210 HydrophobicContact CB-CD1 4.08Å; L186-L210 HydrophobicContact CD2-CD1 3.87Å; L186-L210 HydrophobicContact CG-CD1 3.96Å; L186-H211 PolarHBondContact O-N 3.47Å
187	D	98.9	Very high	97.4	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.053	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	105.2	177.9	-175.9	0.9	0	0	0	113.3	L162 L164 R165 F185 S189 H211	L162-D187 PolarHBondContact O-N 2.97Å; L164-D187 CarbonylContact C-O 3.49Å; L164-D187 VanDerWaalsContact CA-O 3.29Å; L164-D187 WeakPolarHBondContact CA-O 3.13Å; L164-D187 WeakPolarHBondContact CB-O 3.27Å; L164-D187 PolarHBondContact N-O 3.22Å; R165-D187 WeakPolarHBondContact CB-OD2 3.42Å; R165-D187 WeakPolarHBondContact CD-OD2 3.29Å; R165-D187 PolarHBondContact N-O 3.33Å; R165-D187 IonicContact NE-OD2 3.67Å; F185-D187 HydrophobicContact CD1-CB 4.48Å; F185-D187 HydrophobicContact CE1-CB 3.5Å; F185-D187 HydrophobicContact CZ-CB 3.9Å; D187-S189 VanDerWaalsContact OD1-CB 3.22Å; D187-S189 WeakPolarHBondContact OD1-CB 3.27Å; D187-S189 PolarHBondContact OD1-N 3.26Å; D187-S189 PolarHBondContact OD1-OG 3.24Å; D187-H211 HydrophobicContact CB-CB 4.2Å; D187-H211 WeakPolarHBondContact OD1-CB 3.45Å
188	L	98.7	Very high	97	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.232	C	C	.	.			trans	-110.5	15.3	175.3	-70.4	167.8	0	0	0	111.7	L164 L169 I172 L186 N191 L193 F201 H211 L212 N215	L164-L188 HydrophobicContact CB-CD2 3.89Å; L164-L188 HydrophobicContact CD1-CD2 3.73Å; L164-L188 HydrophobicContact CG-CD2 4.48Å; L169-L188 HydrophobicContact CD1-CD2 4.22Å; I172-L188 HydrophobicContact CD1-CD2 3.86Å; I172-L188 HydrophobicContact CG1-CD1 4.42Å; L186-L188 HydrophobicContact CD1-CG 4.18Å; L186-L188 HydrophobicContact CD2-CD1 3.99Å; L186-L188 HydrophobicContact CD2-CG 4.49Å; L186-L188 HydrophobicContact CG-CD1 4.2Å; L186-L188 HydrophobicContact CG-CG 4.17Å; L188-N191 PolarHBondContact O-ND2 3.35Å; L188-L193 HydrophobicContact CB-CD1 4.33Å; L188-F201 HydrophobicContact CD1-CE1 4.4Å; L188-H211 CarbonylContact C-O 3.42Å; L188-H211 WeakPolarHBondContact CA-O 3.42Å; L188-H211 WeakPolarHBondContact CB-O 3.5Å; L188-H211 PolarHBondContact N-O 3.02Å; L188-L212 HydrophobicContact CB-CD2 3.98Å; L188-L212 HydrophobicContact CD1-CD2 4.1Å; L188-N215 PolarHBondContact O-ND2 3.2Å
189	S	98.8	Very high	96.6	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.014	23%	0.229	C	C	.	.			trans	-65.4	158.4	-177.1	65.1	0	0	0	0	112.8	R165 S166 D187 N191 H211 E213	R165-S189 CarbonylContact C-O 3.27Å; R165-S189 VanDerWaalsContact CA-O 3.26Å; R165-S189 WeakPolarHBondContact CA-O 3.25Å; R165-S189 WeakPolarHBondContact CD-OG 3.28Å; R165-S189 WeakPolarHBondContact CG-OG 3.38Å; S166-S189 PolarHBondContact N-O 3.07Å; D187-S189 VanDerWaalsContact OD1-CB 3.22Å; D187-S189 WeakPolarHBondContact OD1-CB 3.27Å; D187-S189 PolarHBondContact OD1-N 3.26Å; D187-S189 PolarHBondContact OD1-OG 3.24Å; S189-N191 VanDerWaalsContact C-N 3.32Å; S189-N191 PolarHBondContact O-N 2.89Å; S189-N191 PolarHBondContact O-ND2 2.92Å; S189-H211 PolarHBondContact N-O 3.45Å; S189-E213 CarbonylContact C-O 3.42Å; S189-E213 WeakPolarHBondContact CA-O 3.5Å; S189-E213 WeakPolarHBondContact CB-O 3.11Å
190	T	98.7	Very high	96.3	Very high	58 Å²	58	47.7 Å²	47.7	36%	0.356	23%	0.228	S	C	.	.	S	Bend	trans	55.3	47.4	177.8	-41.6	0	0	0	0	111.9	S166 N167 E213 H214	S166-T190 WeakPolarHBondContact CA-O 3.33Å; S166-T190 PolarHBondContact N-O 2.83Å; N167-T190 PolarHBondContact N-O 2.98Å; T190-E213 PolarHBondContact N-O 2.78Å; T190-H214 VanDerWaalsContact CA-O 3.26Å; T190-H214 WeakPolarHBondContact CA-O 3.31Å
191	N	98.8	Very high	96.2	Very high	8 Å²	8	48 Å²	48	4%	0.043	23%	0.23	C	C	.	.	S	Bend	trans	-117.3	-167.1	173.4	-86.9	-78.5	0	0	0	109.6	L164 N167 L169 L188 S189 L193 H214 N215	L164-N191 PolarHBondContact O-ND2 2.58Å; N167-N191 WeakPolarHBondContact CA-OD1 3.46Å; N167-N191 WeakPolarHBondContact CB-OD1 3.37Å; N167-N191 PolarHBondContact O-OD1 2.78Å; L169-N191 HydrophobicContact CB-CB 4.31Å; L169-N191 VanDerWaalsContact CB-OD1 3.28Å; L169-N191 WeakPolarHBondContact CB-OD1 3.46Å; L169-N191 WeakPolarHBondContact CG-OD1 3.31Å; L169-N191 PolarHBondContact N-OD1 2.88Å; L188-N191 PolarHBondContact O-ND2 3.35Å; S189-N191 VanDerWaalsContact C-N 3.32Å; S189-N191 PolarHBondContact O-N 2.89Å; S189-N191 PolarHBondContact O-ND2 2.92Å; N191-L193 HydrophobicContact CB-CG 4.23Å; N191-H214 PolarHBondContact N-O 3.27Å; N191-N215 VanDerWaalsContact CA-OD1 3.31Å; N191-N215 WeakPolarHBondContact CA-OD1 3.39Å; N191-N215 WeakPolarHBondContact CB-OD1 3.29Å; N191-N215 PolarHBondContact N-OD1 3.04Å; N191-N215 PolarHBondContact O-OD1 2.87Å
192	R	98.4	Very high	96.1	Very high	114 Å²	114	43.3 Å²	43.3	43%	0.43	22%	0.216	S	C	.	.			trans	-117.4	29.5	-179.5	-59	-178.3	-169.2	166.4	6.2	111.6	S168 L169 R170 R194 N215	S168-R192 PolarHBondContact OG-NH2 2.91Å; L169-R192 CarbonylContact O-C 3.49Å; L169-R192 VanDerWaalsContact O-CA 3.27Å; L169-R192 WeakPolarHBondContact O-CA 3.4Å; L169-R192 PolarHBondContact O-N 3.45Å; R170-R192 HydrophobicContact CG-CB 4.38Å; R192-R194 PolarHBondContact O-N 3.39Å; R192-N215 PolarHBondContact N-OD1 3.37Å
193	L	98	Very high	95.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.215	C	C	.	.			trans	-65.6	126.5	-177.6	-59	179.4	0	0	0	109.8	L169 I172 L188 N191 L212 N215 Q216 L217	L169-L193 HydrophobicContact CB-CD2 4.16Å; L169-L193 PolarHBondContact O-N 3.01Å; I172-L193 HydrophobicContact CD1-CD2 4.04Å; I172-L193 HydrophobicContact CG1-CD1 4.13Å; I172-L193 HydrophobicContact CG1-CD2 3.8Å; L188-L193 HydrophobicContact CB-CD1 4.33Å; N191-L193 HydrophobicContact CB-CG 4.23Å; L193-L212 HydrophobicContact CD1-CD2 4Å; L193-N215 HydrophobicContact CB-CB 4.24Å; L193-N215 VanDerWaalsContact CB-OD1 3.27Å; L193-N215 WeakPolarHBondContact CB-OD1 3.29Å; L193-N215 VanDerWaalsContact CG-OD1 3.27Å; L193-N215 WeakPolarHBondContact CG-OD1 3.16Å; L193-N215 PolarHBondContact N-OD1 3.09Å; L193-Q216 CarbonylContact O-C 3.24Å; L193-Q216 VanDerWaalsContact O-CA 3.25Å; L193-Q216 WeakPolarHBondContact O-CA 3.41Å; L193-Q216 WeakPolarHBondContact O-CB 3.37Å; L193-Q216 PolarHBondContact O-N 3.36Å; L193-L217 HydrophobicContact CB-CD2 4.22Å; L193-L217 PolarHBondContact O-N 3.07Å
194	R	96.5	Very high	95.8	Very high	155 Å²	155	42.7 Å²	42.7	59%	0.585	22%	0.215	S	C	*	.			trans	-99.5	-23.6	-178.6	-62.4	-177.6	-179.4	-174.3	-2.1	113.5	R192 Q216	R192-R194 PolarHBondContact O-N 3.39Å; R194-Q216 HydrophobicContact CG-CB 4.37Å
195	S	95.2	Very high	95.7	Very high	82 Å²	82	44.4 Å²	44.4	57%	0.573	23%	0.225	S	C	*	.			trans	-155.4	158.2	-176.2	57.5	0	0	0	0	111.3
196	L	93.9	Very high	95.6	Very high	28 Å²	28	47.9 Å²	47.9	15%	0.147	24%	0.24	C	C	.	.			trans	-111.2	134.3	171.4	-61	174	0	0	0	109.7	F201 L212 L217 I220 H224 F225	L196-F201 HydrophobicContact CD1-CE2 4.32Å; L196-F201 HydrophobicContact CD2-CE2 4.15Å; L196-F201 HydrophobicContact CD2-CZ 4.02Å; L196-L212 HydrophobicContact CD1-CD1 3.95Å; L196-L212 HydrophobicContact CD2-CD1 4.29Å; L196-L212 HydrophobicContact CD2-CD2 4.26Å; L196-L217 HydrophobicContact CD1-CD1 4.23Å; L196-L217 HydrophobicContact CD2-CD2 4.36Å; L196-L217 HydrophobicContact CG-CD1 4.32Å; L196-L217 HydrophobicContact CG-CD2 4.09Å; L196-I220 HydrophobicContact CD1-CD1 4.19Å; L196-H224 PolarHBondContact O-ND1 3.37Å; L196-F225 HydrophobicContact CD1-CE1 3.86Å; L196-F225 HydrophobicContact CD1-CZ 3.55Å
197	A	92.7	Very high	95.6	Very high	39 Å²	39	47.9 Å²	47.9	32%	0.322	24%	0.24	S	C	.	.			trans	-74.5	145.9	174.9	0	0	0	0	0	111.2	V174 N199 G200	V174-A197 HydrophobicContact CG2-CB 3.77Å; A197-N199 PolarHBondContact O-N 3.09Å; A197-G200 PolarHBondContact O-N 3Å
198	R	88.4	Confident	95.6	Very high	160 Å²	160	53.5 Å²	53.5	60%	0.604	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-30.3	-177.8	-175.7	174.8	176.1	-177.1	-3.8	114.4
199	N	87.2	Confident	95.6	Very high	83 Å²	83	56.6 Å²	56.6	44%	0.444	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	24.5	177.7	-70.7	-42.3	0	0	0	112.3	V174 A197 F201 A202	V174-N199 HydrophobicContact CG1-CB 4.37Å; A197-N199 PolarHBondContact O-N 3.09Å; N199-F201 PolarHBondContact O-N 3.22Å; N199-F201 VanDerWaalsContact O-N 3.13Å; N199-A202 WeakPolarHBondContact O-CB 3.37Å; N199-A202 PolarHBondContact O-N 2.83Å
200	G	91.5	Very high	95.6	Very high	7 Å²	7	56.5 Å²	56.5	7%	0.072	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17	-172.7	0	0	0	0	0	115.1	A197	A197-G200 PolarHBondContact O-N 3Å
201	F	94.2	Very high	95.6	Very high	8 Å²	8	54.7 Å²	54.7	4%	0.035	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	21.9	-179.6	-60.4	-68.4	0	0	0	113.2	F177 L186 L188 L196 N199 G203 L204 L210 L212 F225 L228	F177-F201 HydrophobicContact CD2-CD1 4.44Å; F177-F201 HydrophobicContact CE2-CD1 4.45Å; L186-F201 HydrophobicContact CD2-CD1 4.45Å; L186-F201 HydrophobicContact CD2-CE1 4.24Å; L188-F201 HydrophobicContact CD1-CE1 4.4Å; L196-F201 HydrophobicContact CD1-CE2 4.32Å; L196-F201 HydrophobicContact CD2-CE2 4.15Å; L196-F201 HydrophobicContact CD2-CZ 4.02Å; N199-F201 PolarHBondContact O-N 3.22Å; N199-F201 VanDerWaalsContact O-N 3.13Å; F201-G203 PolarHBondContact O-N 3.18Å; F201-L204 HydrophobicContact CB-CD1 4.14Å; F201-L204 HydrophobicContact CD1-CD1 3.79Å; F201-L204 HydrophobicContact CG-CD1 4.45Å; F201-L204 WeakPolarHBondContact O-CB 3.41Å; F201-L204 PolarHBondContact O-N 2.93Å; F201-L210 HydrophobicContact CE1-CD1 4.17Å; F201-L210 HydrophobicContact CE1-CD2 4.09Å; F201-L210 HydrophobicContact CE2-CD2 4.29Å; F201-L210 HydrophobicContact CZ-CD2 3.92Å; F201-L212 HydrophobicContact CZ-CD1 4.22Å; F201-F225 AromaticContact CD2-CD1 4Å; F201-F225 HydrophobicContact CD2-CD1 4Å; F201-F225 HydrophobicContact CD2-CE1 4.23Å; F201-F225 AromaticContact CE2-CD1 3.91Å; F201-F225 HydrophobicContact CE2-CD1 3.91Å; F201-F225 AromaticContact CE2-CE1 3.65Å; F201-F225 HydrophobicContact CE2-CE1 3.65Å; F201-F225 HydrophobicContact CZ-CE1 4.42Å; F201-L228 HydrophobicContact CB-CD1 4.29Å; F201-L228 HydrophobicContact CB-CD2 3.71Å; F201-L228 HydrophobicContact CB-CG 4.01Å; F201-L228 HydrophobicContact CD2-CD1 4.25Å; F201-L228 HydrophobicContact CG-CD1 4.21Å; F201-L228 HydrophobicContact CG-CD2 4.34Å; F201-L228 HydrophobicContact CG-CG 4.47Å
202	A	94.1	Very high	95.6	Very high	19 Å²	19	54.3 Å²	54.3	16%	0.157	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	136.7	174.1	0	0	0	0	0	111.1	F177 N199	F177-A202 CarbonylContact C-O 3.59Å; N199-A202 WeakPolarHBondContact O-CB 3.37Å; N199-A202 PolarHBondContact O-N 2.83Å
203	G	93.5	Very high	95.6	Very high	19 Å²	19	50 Å²	50	20%	0.196	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	-22.5	-177.3	0	0	0	0	0	114.5	F201 I205	F201-G203 PolarHBondContact O-N 3.18Å; G203-I205 PolarHBondContact O-N 3.32Å
204	L	97.5	Very high	95.7	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	26%	0.264	C	S	.	.			trans	-82.3	50.4	-176.1	-62.3	-174.3	0	0	0	113.6	F177 C180 L183 L186 F201 K206 L207 L228	F177-L204 HydrophobicContact CB-CD1 4.07Å; F177-L204 HydrophobicContact CB-CD2 3.75Å; F177-L204 HydrophobicContact CB-CG 3.78Å; F177-L204 HydrophobicContact CD2-CD1 3.96Å; F177-L204 HydrophobicContact CG-CD1 4.04Å; F177-L204 HydrophobicContact CG-CD2 4.25Å; F177-L204 HydrophobicContact CG-CG 4.29Å; C180-L204 HydrophobicContact CB-CD2 3.93Å; L183-L204 HydrophobicContact CB-CD2 3.88Å; L183-L204 HydrophobicContact CD2-CD2 3.51Å; L183-L204 HydrophobicContact CG-CD2 4.31Å; L186-L204 HydrophobicContact CD2-CD1 3.86Å; F201-L204 HydrophobicContact CB-CD1 4.14Å; F201-L204 HydrophobicContact CD1-CD1 3.79Å; F201-L204 HydrophobicContact CG-CD1 4.45Å; F201-L204 WeakPolarHBondContact O-CB 3.41Å; F201-L204 PolarHBondContact O-N 2.93Å; L204-K206 VanDerWaalsContact C-N 3.28Å; L204-K206 PolarHBondContact O-N 3.23Å; L204-L207 HydrophobicContact CB-CB 4.04Å; L204-L207 HydrophobicContact CB-CD2 4.39Å; L204-L207 HydrophobicContact CD1-CD2 3.97Å; L204-L207 WeakPolarHBondContact O-CB 3.36Å; L204-L207 PolarHBondContact O-N 2.78Å; L204-L228 HydrophobicContact CB-CD2 3.66Å; L204-L228 HydrophobicContact CD1-CD2 4.35Å
205	I	96	Very high	95.8	Very high	100 Å²	100	47.3 Å²	47.3	51%	0.513	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.9	-171.3	-55.9	164.9	0	0	0	112	G203 S230	G203-I205 PolarHBondContact O-N 3.32Å; I205-S230 WeakPolarHBondContact O-CB 3.24Å; I205-S230 PolarHBondContact O-OG 3.47Å; I205-S230 VanDerWaalsContact O-OG 3.06Å
206	K	98.1	Very high	95.9	Very high	112 Å²	112	46.2 Å²	46.2	49%	0.487	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	2.6	-179.6	-73	-168.4	175.9	-177.6	0	114.5	L183 L204 R208	L183-K206 CarbonylContact O-C 3.14Å; L204-K206 VanDerWaalsContact C-N 3.28Å; L204-K206 PolarHBondContact O-N 3.23Å; K206-R208 PolarHBondContact O-N 2.85Å
207	L	98.7	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.			trans	-63.8	128.3	-174.5	-165.3	75.9	0	0	0	110.2	L183 L186 L204 L210 L228 S230 L231	L183-L207 HydrophobicContact CD2-CD1 4.07Å; L183-L207 HydrophobicContact CG-CD1 4.11Å; L183-L207 WeakPolarHBondContact O-CA 3.33Å; L183-L207 PolarHBondContact O-N 3.37Å; L186-L207 HydrophobicContact CB-CD1 3.74Å; L186-L207 HydrophobicContact CB-CD2 4.34Å; L204-L207 HydrophobicContact CB-CB 4.04Å; L204-L207 HydrophobicContact CB-CD2 4.39Å; L204-L207 HydrophobicContact CD1-CD2 3.97Å; L204-L207 WeakPolarHBondContact O-CB 3.36Å; L204-L207 PolarHBondContact O-N 2.78Å; L207-L210 HydrophobicContact CD2-CB 4.07Å; L207-L210 HydrophobicContact CD2-CD1 4.37Å; L207-L228 HydrophobicContact CB-CD2 4.15Å; L207-L228 HydrophobicContact CD2-CD1 4.35Å; L207-L228 HydrophobicContact CD2-CD2 3.7Å; L207-S230 CarbonylContact O-C 3.54Å; L207-S230 VanDerWaalsContact O-O 3.1Å; L207-L231 HydrophobicContact CB-CD1 4.22Å; L207-L231 HydrophobicContact CD2-CD1 3.79Å; L207-L231 HydrophobicContact CG-CD1 3.83Å; L207-L231 WeakPolarHBondContact O-CA 3.17Å; L207-L231 PolarHBondContact O-N 2.73Å; L207-L231 VanDerWaalsContact O-N 3.07Å
208	R	98.7	Very high	96.3	Very high	127 Å²	127	46.8 Å²	46.8	48%	0.479	23%	0.225	S	C	.	.			trans	-107.3	-35.2	-178.4	-68.3	179.5	163.7	161.8	-8.9	112.3	E184 K206 H232 T233	E184-R208 WeakPolarHBondContact O-CA 3.24Å; E184-R208 PolarHBondContact O-N 3.3Å; E184-R208 IonicContact OE1-NH1 3.94Å; E184-R208 IonicContact OE2-CZ 3.56Å; E184-R208 IonicContact OE2-NE 3.72Å; E184-R208 IonicContact OE2-NH1 2.75Å; E184-R208 PolarHBondContact OE2-NH1 3.35Å; K206-R208 PolarHBondContact O-N 2.85Å; R208-H232 PolarHBondContact O-N 2.72Å; R208-T233 PolarHBondContact O-N 3.09Å
209	E	98.9	Very high	96.6	Very high	65 Å²	65	45.2 Å²	45.2	30%	0.304	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125.4	-175.2	-174.7	164.6	177.8	0	0	110.9	E184 F185 L186 H211 T233 F235	E184-E209 PolarHBondContact O-N 3.48Å; F185-E209 HydrophobicContact CD2-CB 3.93Å; F185-E209 HydrophobicContact CD2-CG 3.9Å; F185-E209 HydrophobicContact CE2-CB 4.48Å; F185-E209 HydrophobicContact CE2-CG 3.94Å; L186-E209 PolarHBondContact N-O 2.98Å; E209-H211 IonicContact OE1-CE1 3.62Å; E209-H211 IonicContact OE1-NE2 3.37Å; E209-H211 PolarHBondContact OE1-NE2 3.47Å; E209-T233 HydrophobicContact CG-CG2 4.45Å; E209-F235 HydrophobicContact CG-CE2 4.16Å; E209-F235 WeakPolarHBondContact OE1-CE2 3.25Å
210	L	98.8	Very high	97	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.5	-179.4	177.1	58.6	0	0	0	110.6	L186 F201 L207 L212 F225 L228 L231 T233 L234 F235	L186-L210 HydrophobicContact CB-CD1 4.08Å; L186-L210 HydrophobicContact CD2-CD1 3.87Å; L186-L210 HydrophobicContact CG-CD1 3.96Å; F201-L210 HydrophobicContact CE1-CD1 4.17Å; F201-L210 HydrophobicContact CE1-CD2 4.09Å; F201-L210 HydrophobicContact CE2-CD2 4.29Å; F201-L210 HydrophobicContact CZ-CD2 3.92Å; L207-L210 HydrophobicContact CD2-CB 4.07Å; L207-L210 HydrophobicContact CD2-CD1 4.37Å; L210-L212 HydrophobicContact CD1-CG 4.26Å; L210-L212 HydrophobicContact CD2-CD1 3.92Å; L210-L212 HydrophobicContact CD2-CG 4.45Å; L210-L212 HydrophobicContact CG-CD1 4.13Å; L210-L212 HydrophobicContact CG-CG 4.14Å; L210-F225 HydrophobicContact CD2-CD1 4.35Å; L210-F225 HydrophobicContact CD2-CE1 4.02Å; L210-L228 HydrophobicContact CD2-CD1 3.72Å; L210-L231 HydrophobicContact CB-CD1 3.89Å; L210-L231 HydrophobicContact CB-CD2 4.19Å; L210-T233 PolarHBondContact N-O 2.94Å; L210-L234 HydrophobicContact CB-CD1 4.1Å; L210-L234 HydrophobicContact CD2-CD1 3.91Å; L210-L234 HydrophobicContact CG-CD1 4.01Å; L210-F235 PolarHBondContact O-N 3.43Å
211	H	98.9	Very high	97.2	Very high	21 Å²	21	42.8 Å²	42.8	10%	0.097	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.5	174.6	-66.2	-104.3	0	0	0	111.6	F185 L186 D187 L188 S189 E209 E213 F235	F185-H211 AromaticContact CE2-CD2 3.66Å; F185-H211 AromaticContact CE2-NE2 3.39Å; F185-H211 WeakPolarHBondContact CE2-NE2 3.42Å; F185-H211 AromaticContact CZ-CD2 3.63Å; F185-H211 AromaticContact CZ-NE2 3.62Å; L186-H211 PolarHBondContact O-N 3.47Å; D187-H211 HydrophobicContact CB-CB 4.2Å; D187-H211 WeakPolarHBondContact OD1-CB 3.45Å; L188-H211 CarbonylContact C-O 3.42Å; L188-H211 WeakPolarHBondContact CA-O 3.42Å; L188-H211 WeakPolarHBondContact CB-O 3.5Å; L188-H211 PolarHBondContact N-O 3.02Å; S189-H211 PolarHBondContact N-O 3.45Å; E209-H211 IonicContact OE1-CE1 3.62Å; E209-H211 IonicContact OE1-NE2 3.37Å; E209-H211 PolarHBondContact OE1-NE2 3.47Å; H211-E213 VanDerWaalsContact CA-OE2 3.27Å; H211-E213 WeakPolarHBondContact CA-OE2 3.4Å; H211-E213 WeakPolarHBondContact CB-OE2 3.36Å; H211-E213 IonicContact CE1-OE1 2.74Å; H211-E213 IonicContact CG-OE1 3.87Å; H211-E213 IonicContact CG-OE2 2.72Å; H211-E213 IonicContact ND1-OE1 3.63Å; H211-E213 PolarHBondContact ND1-OE1 3.29Å; H211-E213 IonicContact ND1-OE2 3.13Å; H211-E213 PolarHBondContact ND1-OE2 2.9Å; H211-F235 AromaticContact CE1-CD2 3.28Å; H211-F235 WeakPolarHBondContact CE1-CD2 3.07Å; H211-F235 AromaticContact CE1-CE2 3.29Å; H211-F235 WeakPolarHBondContact CE1-CE2 3.4Å; H211-F235 AromaticContact CG-CD2 3.8Å; H211-F235 AromaticContact ND1-CD2 3.36Å; H211-F235 WeakPolarHBondContact ND1-CD2 3.17Å; H211-F235 AromaticContact ND1-CE2 3.87Å; H211-F235 AromaticContact ND1-CG 3.9Å; H211-F235 AromaticContact NE2-CD2 3.7Å; H211-F235 AromaticContact NE2-CE2 3.63Å
212	L	98.8	Very high	97.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.			trans	-129.7	9.4	175.3	-73.4	168.7	0	0	0	111.8	L188 L193 L196 F201 L210 N215 L217 F225 L234 F235 L236 N239	L188-L212 HydrophobicContact CB-CD2 3.98Å; L188-L212 HydrophobicContact CD1-CD2 4.1Å; L193-L212 HydrophobicContact CD1-CD2 4Å; L196-L212 HydrophobicContact CD1-CD1 3.95Å; L196-L212 HydrophobicContact CD2-CD1 4.29Å; L196-L212 HydrophobicContact CD2-CD2 4.26Å; F201-L212 HydrophobicContact CZ-CD1 4.22Å; L210-L212 HydrophobicContact CD1-CG 4.26Å; L210-L212 HydrophobicContact CD2-CD1 3.92Å; L210-L212 HydrophobicContact CD2-CG 4.45Å; L210-L212 HydrophobicContact CG-CD1 4.13Å; L210-L212 HydrophobicContact CG-CG 4.14Å; L212-N215 WeakPolarHBondContact O-CB 3.06Å; L212-N215 PolarHBondContact O-ND2 3.22Å; L212-L217 HydrophobicContact CB-CD1 4.41Å; L212-F225 HydrophobicContact CD1-CE1 4.13Å; L212-F225 HydrophobicContact CD1-CZ 4.29Å; L212-L234 HydrophobicContact CD1-CD1 4.46Å; L212-F235 CarbonylContact C-O 3.59Å; L212-F235 WeakPolarHBondContact CA-O 3.27Å; L212-F235 WeakPolarHBondContact CB-O 3.42Å; L212-F235 PolarHBondContact N-O 2.84Å; L212-L236 HydrophobicContact CB-CD2 3.8Å; L212-L236 HydrophobicContact CD1-CD2 4.01Å; L212-N239 PolarHBondContact O-ND2 3.03Å
213	E	98.8	Very high	97.3	Very high	22 Å²	22	42 Å²	42	10%	0.103	20%	0.203	C	C	.	.			trans	-63.5	157.5	179.5	70	-87	-154	0	0	113.2	S189 T190 H211 N215 F235 Q237	S189-E213 CarbonylContact C-O 3.42Å; S189-E213 WeakPolarHBondContact CA-O 3.5Å; S189-E213 WeakPolarHBondContact CB-O 3.11Å; T190-E213 PolarHBondContact N-O 2.78Å; H211-E213 VanDerWaalsContact CA-OE2 3.27Å; H211-E213 WeakPolarHBondContact CA-OE2 3.4Å; H211-E213 WeakPolarHBondContact CB-OE2 3.36Å; H211-E213 IonicContact CE1-OE1 2.74Å; H211-E213 IonicContact CG-OE1 3.87Å; H211-E213 IonicContact CG-OE2 2.72Å; H211-E213 IonicContact ND1-OE1 3.63Å; H211-E213 PolarHBondContact ND1-OE1 3.29Å; H211-E213 IonicContact ND1-OE2 3.13Å; H211-E213 PolarHBondContact ND1-OE2 2.9Å; E213-N215 VanDerWaalsContact C-N 3.25Å; E213-N215 PolarHBondContact O-N 3.4Å; E213-N215 PolarHBondContact O-ND2 3.24Å; E213-F235 PolarHBondContact N-O 3.31Å; E213-F235 VanDerWaalsContact OE2-CB 3.25Å; E213-F235 WeakPolarHBondContact OE2-CB 3.32Å; E213-Q237 CarbonylContact C-O 3.54Å; E213-Q237 WeakPolarHBondContact CA-O 3.23Å; E213-Q237 HydrophobicContact CB-CG 3.65Å; E213-Q237 WeakPolarHBondContact CB-O 3.24Å; E213-Q237 HydrophobicContact CG-CG 4.35Å
214	H	98.7	Very high	97.3	Very high	92 Å²	92	43.3 Å²	43.3	43%	0.426	20%	0.204	S	C	.	.	S	Bend	trans	54.4	41.3	-179	-64.7	-75.7	0	0	0	113.1	T190 N191 Q237 W238	T190-H214 VanDerWaalsContact CA-O 3.26Å; T190-H214 WeakPolarHBondContact CA-O 3.31Å; N191-H214 PolarHBondContact N-O 3.27Å; H214-Q237 PolarHBondContact N-O 3.34Å; H214-W238 VanDerWaalsContact CA-O 3.31Å; H214-W238 WeakPolarHBondContact CA-O 3.1Å; H214-W238 WeakPolarHBondContact CE1-CB 3.24Å; H214-W238 AromaticContact CE1-CD1 3.27Å; H214-W238 AromaticContact CE1-CG 3.34Å; H214-W238 PolarHBondContact N-O 3.42Å; H214-W238 VanDerWaalsContact ND1-CB 3.33Å; H214-W238 WeakPolarHBondContact ND1-CB 3.31Å; H214-W238 AromaticContact ND1-CG 3.85Å; H214-W238 AromaticContact NE2-CD1 3.35Å; H214-W238 AromaticContact NE2-CG 3.86Å
215	N	98.7	Very high	97.1	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.043	20%	0.204	C	C	.	.	S	Bend	trans	-108.6	-165	169.7	-85.9	-79.2	0	0	0	110.3	L188 N191 R192 L193 L212 E213 L217 N239	L188-N215 PolarHBondContact O-ND2 3.2Å; N191-N215 VanDerWaalsContact CA-OD1 3.31Å; N191-N215 WeakPolarHBondContact CA-OD1 3.39Å; N191-N215 WeakPolarHBondContact CB-OD1 3.29Å; N191-N215 PolarHBondContact N-OD1 3.04Å; N191-N215 PolarHBondContact O-OD1 2.87Å; R192-N215 PolarHBondContact N-OD1 3.37Å; L193-N215 HydrophobicContact CB-CB 4.24Å; L193-N215 VanDerWaalsContact CB-OD1 3.27Å; L193-N215 WeakPolarHBondContact CB-OD1 3.29Å; L193-N215 VanDerWaalsContact CG-OD1 3.27Å; L193-N215 WeakPolarHBondContact CG-OD1 3.16Å; L193-N215 PolarHBondContact N-OD1 3.09Å; L212-N215 WeakPolarHBondContact O-CB 3.06Å; L212-N215 PolarHBondContact O-ND2 3.22Å; E213-N215 VanDerWaalsContact C-N 3.25Å; E213-N215 PolarHBondContact O-N 3.4Å; E213-N215 PolarHBondContact O-ND2 3.24Å; N215-L217 HydrophobicContact CB-CG 4.3Å; N215-N239 VanDerWaalsContact CA-OD1 3.25Å; N215-N239 WeakPolarHBondContact CA-OD1 3.42Å; N215-N239 WeakPolarHBondContact CB-OD1 3.28Å; N215-N239 PolarHBondContact N-OD1 3.38Å; N215-N239 PolarHBondContact O-OD1 3.08Å
216	Q	98.4	Very high	97	Very high	60 Å²	60	41.9 Å²	41.9	28%	0.28	20%	0.197	S	C	.	.			trans	-118.7	29.2	-178.7	-59.3	-177.9	-132	0	0	111.9	L193 R194 N239	L193-Q216 CarbonylContact O-C 3.24Å; L193-Q216 VanDerWaalsContact O-CA 3.25Å; L193-Q216 WeakPolarHBondContact O-CA 3.41Å; L193-Q216 WeakPolarHBondContact O-CB 3.37Å; L193-Q216 PolarHBondContact O-N 3.36Å; R194-Q216 HydrophobicContact CG-CB 4.37Å; Q216-N239 PolarHBondContact N-OD1 2.98Å
217	L	98	Very high	96.8	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	20%	0.199	C	C	.	.			trans	-68.1	132.9	-178.8	-58.4	176.5	0	0	0	110.2	L193 L196 L212 N215 I220 L236 N239 K240 I241	L193-L217 HydrophobicContact CB-CD2 4.22Å; L193-L217 PolarHBondContact O-N 3.07Å; L196-L217 HydrophobicContact CD1-CD1 4.23Å; L196-L217 HydrophobicContact CD2-CD2 4.36Å; L196-L217 HydrophobicContact CG-CD1 4.32Å; L196-L217 HydrophobicContact CG-CD2 4.09Å; L212-L217 HydrophobicContact CB-CD1 4.41Å; N215-L217 HydrophobicContact CB-CG 4.3Å; L217-I220 HydrophobicContact CD1-CD1 4.18Å; L217-L236 HydrophobicContact CD1-CD2 3.91Å; L217-N239 HydrophobicContact CB-CB 4.2Å; L217-N239 WeakPolarHBondContact CB-OD1 3.2Å; L217-N239 WeakPolarHBondContact CG-OD1 3.45Å; L217-N239 PolarHBondContact N-OD1 3.14Å; L217-K240 CarbonylContact O-C 3.15Å; L217-K240 VanDerWaalsContact O-CA 3.27Å; L217-K240 WeakPolarHBondContact O-CA 3.37Å; L217-K240 PolarHBondContact O-N 2.98Å; L217-I241 HydrophobicContact CB-CG1 4.27Å; L217-I241 PolarHBondContact O-N 2.94Å; L217-I241 VanDerWaalsContact O-N 3.15Å
218	T	96.4	Very high	96.7	Very high	78 Å²	78	43.2 Å²	43.2	48%	0.479	20%	0.199	S	C	.	.			trans	-107.3	-25.8	-176.2	55	0	0	0	0	114.5	K240 I241 S242	T218-K240 WeakPolarHBondContact CA-O 3.3Å; T218-K240 HydrophobicContact CG2-CB 4.33Å; T218-I241 WeakPolarHBondContact O-CA 3.48Å; T218-S242 PolarHBondContact O-N 3.02Å
219	K	93.9	Very high	96.6	Very high	127 Å²	127	40.2 Å²	40.2	55%	0.552	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	141.4	178.8	-176.4	175.9	-179.7	179	0	110.1	T245	K219-T245 WeakPolarHBondContact CE-OG1 3.5Å
220	I	96.7	Very high	96.5	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.7	171.3	-64.1	-61.6	0	0	0	109.8	L196 L217 F222 F225 L236 I241 N243 L244 T245	L196-I220 HydrophobicContact CD1-CD1 4.19Å; L217-I220 HydrophobicContact CD1-CD1 4.18Å; I220-F222 HydrophobicContact CG2-CD1 4.09Å; I220-F222 HydrophobicContact CG2-CD2 4.2Å; I220-F222 HydrophobicContact CG2-CE1 3.98Å; I220-F222 HydrophobicContact CG2-CE2 4.08Å; I220-F222 HydrophobicContact CG2-CG 4.22Å; I220-F222 HydrophobicContact CG2-CZ 3.98Å; I220-F225 HydrophobicContact CG2-CE2 4.06Å; I220-L236 HydrophobicContact CD1-CD1 4.33Å; I220-L236 HydrophobicContact CD1-CD2 4.02Å; I220-L236 HydrophobicContact CG1-CD1 4.25Å; I220-I241 HydrophobicContact CB-CG2 4.41Å; I220-I241 HydrophobicContact CD1-CD1 4.11Å; I220-I241 HydrophobicContact CG1-CD1 3.5Å; I220-I241 HydrophobicContact CG1-CG1 3.88Å; I220-I241 HydrophobicContact CG1-CG2 3.98Å; I220-N243 PolarHBondContact N-O 2.86Å; I220-L244 HydrophobicContact CB-CD2 4Å; I220-L244 HydrophobicContact CG2-CD2 4.45Å; I220-T245 PolarHBondContact O-N 3.18Å; I220-T245 PolarHBondContact O-OG1 3.27Å
221	N	95.6	Very high	96.5	Very high	36 Å²	36	39.1 Å²	39.1	19%	0.193	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	111.5	162.9	179.5	4	0	0	0	107.5	A223 H224 T245 G247	N221-A223 PolarHBondContact O-N 3.35Å; N221-A223 VanDerWaalsContact O-N 3.14Å; N221-A223 WeakPolarHBondContact OD1-CB 3.37Å; N221-A223 PolarHBondContact OD1-N 3.22Å; N221-H224 WeakPolarHBondContact O-CB 3.12Å; N221-H224 PolarHBondContact O-N 3.02Å; N221-T245 CarbonylContact C-O 3.49Å; N221-T245 VanDerWaalsContact CA-O 3.31Å; N221-T245 WeakPolarHBondContact CA-O 3.36Å; N221-G247 PolarHBondContact OD1-N 3.25Å
222	F	95.7	Very high	96.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.8	-22.7	-175.8	-73.9	-74.6	0	0	0	113.1	I220 H224 F225 L234 L244 T245 W250 W252 L258 V272 M276	I220-F222 HydrophobicContact CG2-CD1 4.09Å; I220-F222 HydrophobicContact CG2-CD2 4.2Å; I220-F222 HydrophobicContact CG2-CE1 3.98Å; I220-F222 HydrophobicContact CG2-CE2 4.08Å; I220-F222 HydrophobicContact CG2-CG 4.22Å; I220-F222 HydrophobicContact CG2-CZ 3.98Å; F222-H224 PolarHBondContact O-N 2.86Å; F222-H224 VanDerWaalsContact O-N 3.07Å; F222-F225 HydrophobicContact CD1-CD2 4.08Å; F222-F225 HydrophobicContact CD1-CE2 4.25Å; F222-F225 PolarHBondContact O-N 3.11Å; F222-L234 HydrophobicContact CE1-CD2 4.43Å; F222-L244 HydrophobicContact CE2-CB 4.23Å; F222-L244 HydrophobicContact CE2-CD1 4.45Å; F222-L244 HydrophobicContact CE2-CD2 4.01Å; F222-L244 HydrophobicContact CE2-CG 4.47Å; F222-L244 HydrophobicContact CZ-CD2 4.18Å; F222-T245 PolarHBondContact N-O 2.93Å; F222-W250 VanDerWaalsContact O-CZ2 3.27Å; F222-W250 WeakPolarHBondContact O-CZ2 3.46Å; F222-W252 HydrophobicContact CD1-CZ3 4.05Å; F222-L258 HydrophobicContact CE1-CD1 4.49Å; F222-L258 HydrophobicContact CE1-CD2 4.22Å; F222-L258 HydrophobicContact CZ-CD2 4.02Å; F222-V272 HydrophobicContact CD2-CG1 3.64Å; F222-V272 HydrophobicContact CD2-CG2 4.43Å; F222-V272 HydrophobicContact CE2-CG1 3.39Å; F222-V272 HydrophobicContact CZ-CG1 4.38Å; F222-M276 HydrophobicContact CE1-CE 4.41Å; F222-M276 HydrophobicContact CE2-CE 4.42Å; F222-M276 HydrophobicContact CZ-CE 4.34Å
223	A	93.5	Very high	96.5	Very high	10 Å²	10	42.5 Å²	42.5	8%	0.083	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-59.5	-19.6	172.2	0	0	0	0	0	113.5	N221 F225 L226 M248	N221-A223 PolarHBondContact O-N 3.35Å; N221-A223 VanDerWaalsContact O-N 3.14Å; N221-A223 WeakPolarHBondContact OD1-CB 3.37Å; N221-A223 PolarHBondContact OD1-N 3.22Å; A223-F225 PolarHBondContact O-N 3.01Å; A223-L226 WeakPolarHBondContact O-CB 3.36Å; A223-L226 PolarHBondContact O-N 3.44Å; A223-M248 HydrophobicContact CB-CB 4.13Å; A223-M248 HydrophobicContact CB-CG 4.05Å; A223-M248 HydrophobicContact CB-SD 4.21Å
224	H	93.7	Very high	96.5	Very high	47 Å²	47	41.4 Å²	41.4	22%	0.218	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-70.2	-15.6	175	-64.6	-174.4	0	0	0	113.1	L196 N221 F222	L196-H224 PolarHBondContact O-ND1 3.37Å; N221-H224 WeakPolarHBondContact O-CB 3.12Å; N221-H224 PolarHBondContact O-N 3.02Å; F222-H224 PolarHBondContact O-N 2.86Å; F222-H224 VanDerWaalsContact O-N 3.07Å
225	F	95.1	Very high	96.5	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-98.6	8.2	178.1	-57.4	-70.9	0	0	0	113.4	L196 F201 L210 L212 I220 F222 A223 R227 L228 L234 W252	L196-F225 HydrophobicContact CD1-CE1 3.86Å; L196-F225 HydrophobicContact CD1-CZ 3.55Å; F201-F225 AromaticContact CD2-CD1 4Å; F201-F225 HydrophobicContact CD2-CD1 4Å; F201-F225 HydrophobicContact CD2-CE1 4.23Å; F201-F225 AromaticContact CE2-CD1 3.91Å; F201-F225 HydrophobicContact CE2-CD1 3.91Å; F201-F225 AromaticContact CE2-CE1 3.65Å; F201-F225 HydrophobicContact CE2-CE1 3.65Å; F201-F225 HydrophobicContact CZ-CE1 4.42Å; L210-F225 HydrophobicContact CD2-CD1 4.35Å; L210-F225 HydrophobicContact CD2-CE1 4.02Å; L212-F225 HydrophobicContact CD1-CE1 4.13Å; L212-F225 HydrophobicContact CD1-CZ 4.29Å; I220-F225 HydrophobicContact CG2-CE2 4.06Å; F222-F225 HydrophobicContact CD1-CD2 4.08Å; F222-F225 HydrophobicContact CD1-CE2 4.25Å; F222-F225 PolarHBondContact O-N 3.11Å; A223-F225 PolarHBondContact O-N 3.01Å; F225-R227 PolarHBondContact O-N 3.19Å; F225-L228 HydrophobicContact CB-CD1 4.2Å; F225-L228 HydrophobicContact CD1-CD1 3.67Å; F225-L228 HydrophobicContact CG-CD1 4.39Å; F225-L228 WeakPolarHBondContact O-CB 3.27Å; F225-L228 PolarHBondContact O-N 2.87Å; F225-L234 HydrophobicContact CD2-CD2 4.45Å; F225-L234 HydrophobicContact CE1-CD1 4.48Å; F225-L234 HydrophobicContact CE2-CD2 4.11Å; F225-L234 HydrophobicContact CZ-CD2 4.2Å; F225-W252 HydrophobicContact CB-CH2 3.19Å; F225-W252 HydrophobicContact CB-CZ2 3.74Å; F225-W252 HydrophobicContact CB-CZ3 3.67Å; F225-W252 HydrophobicContact CD1-CH2 4.27Å; F225-W252 AromaticContact CD2-CH2 3.9Å; F225-W252 HydrophobicContact CD2-CH2 3.9Å; F225-W252 AromaticContact CD2-CZ3 3.93Å; F225-W252 HydrophobicContact CD2-CZ3 3.93Å; F225-W252 AromaticContact CG-CH2 3.56Å; F225-W252 HydrophobicContact CG-CH2 3.56Å; F225-W252 HydrophobicContact CG-CZ2 4.45Å; F225-W252 HydrophobicContact CG-CZ3 4.02Å
226	L	93.5	Very high	96.5	Very high	70 Å²	70	37.7 Å²	37.7	37%	0.366	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-28.9	-175.5	-177.7	147.1	0	0	0	114.2	A223 L228 M248 W250	A223-L226 WeakPolarHBondContact O-CB 3.36Å; A223-L226 PolarHBondContact O-N 3.44Å; L226-L228 VanDerWaalsContact C-N 3.34Å; L226-M248 HydrophobicContact CD1-SD 4.5Å; L226-W250 HydrophobicContact CB-CE3 4.49Å; L226-W250 HydrophobicContact CB-CZ3 4.48Å; L226-W250 HydrophobicContact CG-CE3 4.32Å
227	R	93.3	Very high	96.5	Very high	139 Å²	139	35.9 Å²	35.9	53%	0.525	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-13.4	178.6	-61.1	-62	-175.5	-175.5	-0.2	114.1	F225 S229	F225-R227 PolarHBondContact O-N 3.19Å; R227-S229 VanDerWaalsContact C-N 3.25Å; R227-S229 PolarHBondContact O-N 3.22Å; R227-S229 VanDerWaalsContact O-N 3.13Å
228	L	96.7	Very high	96.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.			trans	-88.1	57.3	-179	-59.7	-177.8	0	0	0	111	F201 L204 L207 L210 F225 L226 S230 L231 W252	F201-L228 HydrophobicContact CB-CD1 4.29Å; F201-L228 HydrophobicContact CB-CD2 3.71Å; F201-L228 HydrophobicContact CB-CG 4.01Å; F201-L228 HydrophobicContact CD2-CD1 4.25Å; F201-L228 HydrophobicContact CG-CD1 4.21Å; F201-L228 HydrophobicContact CG-CD2 4.34Å; F201-L228 HydrophobicContact CG-CG 4.47Å; L204-L228 HydrophobicContact CB-CD2 3.66Å; L204-L228 HydrophobicContact CD1-CD2 4.35Å; L207-L228 HydrophobicContact CB-CD2 4.15Å; L207-L228 HydrophobicContact CD2-CD1 4.35Å; L207-L228 HydrophobicContact CD2-CD2 3.7Å; L210-L228 HydrophobicContact CD2-CD1 3.72Å; F225-L228 HydrophobicContact CB-CD1 4.2Å; F225-L228 HydrophobicContact CD1-CD1 3.67Å; F225-L228 HydrophobicContact CG-CD1 4.39Å; F225-L228 WeakPolarHBondContact O-CB 3.27Å; F225-L228 PolarHBondContact O-N 2.87Å; L226-L228 VanDerWaalsContact C-N 3.34Å; L228-S230 PolarHBondContact O-N 2.99Å; L228-S230 VanDerWaalsContact O-N 3.14Å; L228-L231 HydrophobicContact CB-CB 4.09Å; L228-L231 HydrophobicContact CD1-CD1 4.44Å; L228-L231 HydrophobicContact CD1-CD2 4.06Å; L228-L231 WeakPolarHBondContact O-CB 3.36Å; L228-L231 PolarHBondContact O-N 2.99Å; L228-W252 HydrophobicContact CB-CZ2 4.03Å; L228-W252 PolarHBondContact O-NE1 3.39Å
229	S	95.6	Very high	96.7	Very high	64 Å²	64	38.3 Å²	38.3	45%	0.448	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.6	-172.2	50.7	0	0	0	0	114.7	R227 T254	R227-S229 VanDerWaalsContact C-N 3.25Å; R227-S229 PolarHBondContact O-N 3.22Å; R227-S229 VanDerWaalsContact O-N 3.13Å; S229-T254 WeakPolarHBondContact O-CG2 3.38Å; S229-T254 PolarHBondContact O-OG1 3.01Å
230	S	98	Very high	96.9	Very high	42 Å²	42	37.3 Å²	37.3	29%	0.294	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	9.6	-180	-64	0	0	0	0	114.3	I205 L207 L228 H232	I205-S230 WeakPolarHBondContact O-CB 3.24Å; I205-S230 PolarHBondContact O-OG 3.47Å; I205-S230 VanDerWaalsContact O-OG 3.06Å; L207-S230 CarbonylContact O-C 3.54Å; L207-S230 VanDerWaalsContact O-O 3.1Å; L228-S230 PolarHBondContact O-N 2.99Å; L228-S230 VanDerWaalsContact O-N 3.14Å; S230-H232 PolarHBondContact O-CD2 2.98Å; S230-H232 PolarHBondContact O-N 3.5Å
231	L	98.5	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.			trans	-71.7	128.1	-175.1	-155	76.7	0	0	0	111.4	L207 L210 L228 L234 W252 T254 L255	L207-L231 HydrophobicContact CB-CD1 4.22Å; L207-L231 HydrophobicContact CD2-CD1 3.79Å; L207-L231 HydrophobicContact CG-CD1 3.83Å; L207-L231 WeakPolarHBondContact O-CA 3.17Å; L207-L231 PolarHBondContact O-N 2.73Å; L207-L231 VanDerWaalsContact O-N 3.07Å; L210-L231 HydrophobicContact CB-CD1 3.89Å; L210-L231 HydrophobicContact CB-CD2 4.19Å; L228-L231 HydrophobicContact CB-CB 4.09Å; L228-L231 HydrophobicContact CD1-CD1 4.44Å; L228-L231 HydrophobicContact CD1-CD2 4.06Å; L228-L231 WeakPolarHBondContact O-CB 3.36Å; L228-L231 PolarHBondContact O-N 2.99Å; L231-L234 HydrophobicContact CD2-CB 4.04Å; L231-L234 HydrophobicContact CD2-CD1 4.33Å; L231-W252 HydrophobicContact CB-CZ2 3.72Å; L231-W252 HydrophobicContact CD2-CH2 3.79Å; L231-W252 HydrophobicContact CD2-CZ2 3.4Å; L231-W252 VanDerWaalsContact CD2-CZ2 3.4Å; L231-W252 HydrophobicContact CG-CZ2 4.18Å; L231-T254 CarbonylContact O-C 3.07Å; L231-T254 WeakPolarHBondContact O-CB 3.32Å; L231-T254 PolarHBondContact O-OG1 3.32Å; L231-L255 HydrophobicContact CB-CD1 4.38Å; L231-L255 HydrophobicContact CD2-CD1 4Å; L231-L255 HydrophobicContact CG-CD1 4.25Å; L231-L255 VanDerWaalsContact O-CA 3.28Å; L231-L255 WeakPolarHBondContact O-CA 3.41Å; L231-L255 PolarHBondContact O-N 3.2Å; L231-L255 VanDerWaalsContact O-N 3.15Å
232	H	98.7	Very high	97	Very high	65 Å²	65	37.2 Å²	37.2	30%	0.301	18%	0.182	S	C	.	.			trans	-103.5	-36.6	175.4	-70.9	-67.4	0	0	0	112.2	R208 S230 T254 E256 K257	R208-H232 PolarHBondContact O-N 2.72Å; S230-H232 PolarHBondContact O-CD2 2.98Å; S230-H232 PolarHBondContact O-N 3.5Å; H232-T254 PolarHBondContact ND1-O 2.88Å; H232-E256 PolarHBondContact O-N 3.48Å; H232-K257 PolarHBondContact O-N 3.44Å
233	T	98.8	Very high	97	Very high	27 Å²	27	39.8 Å²	39.8	17%	0.166	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.2	-173.3	-54.2	0	0	0	0	111.1	R208 E209 L210 F235 K257	R208-T233 PolarHBondContact O-N 3.09Å; E209-T233 HydrophobicContact CG-CG2 4.45Å; L210-T233 PolarHBondContact N-O 2.94Å; T233-F235 HydrophobicContact CG2-CD2 3.82Å; T233-F235 HydrophobicContact CG2-CE1 4.2Å; T233-F235 HydrophobicContact CG2-CE2 3.22Å; T233-F235 HydrophobicContact CG2-CZ 3.44Å; T233-F235 VanDerWaalsContact CG2-CZ 3.44Å; T233-K257 WeakPolarHBondContact CA-O 3.38Å; T233-K257 HydrophobicContact CG2-CB 4.11Å; T233-K257 HydrophobicContact CG2-CD 3.96Å; T233-K257 HydrophobicContact CG2-CG 4.1Å
234	L	98.8	Very high	97.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120	175.2	-180	58.6	0	0	0	110.8	L210 L212 F222 F225 L231 L236 W252 L255 K257 L258 D259	L210-L234 HydrophobicContact CB-CD1 4.1Å; L210-L234 HydrophobicContact CD2-CD1 3.91Å; L210-L234 HydrophobicContact CG-CD1 4.01Å; L212-L234 HydrophobicContact CD1-CD1 4.46Å; F222-L234 HydrophobicContact CE1-CD2 4.43Å; F225-L234 HydrophobicContact CD2-CD2 4.45Å; F225-L234 HydrophobicContact CE1-CD1 4.48Å; F225-L234 HydrophobicContact CE2-CD2 4.11Å; F225-L234 HydrophobicContact CZ-CD2 4.2Å; L231-L234 HydrophobicContact CD2-CB 4.04Å; L231-L234 HydrophobicContact CD2-CD1 4.33Å; L234-L236 HydrophobicContact CD1-CG 4.27Å; L234-L236 HydrophobicContact CD2-CD1 3.82Å; L234-L236 HydrophobicContact CD2-CG 4.42Å; L234-L236 HydrophobicContact CG-CD1 4.01Å; L234-L236 HydrophobicContact CG-CG 4.09Å; L234-W252 HydrophobicContact CD2-CH2 3.97Å; L234-W252 HydrophobicContact CD2-CZ3 4.2Å; L234-L255 HydrophobicContact CB-CD1 3.98Å; L234-K257 PolarHBondContact N-O 2.92Å; L234-L258 HydrophobicContact CB-CD1 4.08Å; L234-L258 HydrophobicContact CD2-CD1 3.89Å; L234-L258 HydrophobicContact CG-CD1 3.99Å; L234-D259 PolarHBondContact O-N 3.08Å
235	F	98.9	Very high	97.3	Very high	21 Å²	21	37.9 Å²	37.9	9%	0.092	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.7	176.3	-65	-75.9	0	0	0	110.6	E209 L210 H211 L212 E213 T233 Q237 K257 D259	E209-F235 HydrophobicContact CG-CE2 4.16Å; E209-F235 WeakPolarHBondContact OE1-CE2 3.25Å; L210-F235 PolarHBondContact O-N 3.43Å; H211-F235 AromaticContact CE1-CD2 3.28Å; H211-F235 WeakPolarHBondContact CE1-CD2 3.07Å; H211-F235 AromaticContact CE1-CE2 3.29Å; H211-F235 WeakPolarHBondContact CE1-CE2 3.4Å; H211-F235 AromaticContact CG-CD2 3.8Å; H211-F235 AromaticContact ND1-CD2 3.36Å; H211-F235 WeakPolarHBondContact ND1-CD2 3.17Å; H211-F235 AromaticContact ND1-CE2 3.87Å; H211-F235 AromaticContact ND1-CG 3.9Å; H211-F235 AromaticContact NE2-CD2 3.7Å; H211-F235 AromaticContact NE2-CE2 3.63Å; L212-F235 CarbonylContact C-O 3.59Å; L212-F235 WeakPolarHBondContact CA-O 3.27Å; L212-F235 WeakPolarHBondContact CB-O 3.42Å; L212-F235 PolarHBondContact N-O 2.84Å; E213-F235 PolarHBondContact N-O 3.31Å; E213-F235 VanDerWaalsContact OE2-CB 3.25Å; E213-F235 WeakPolarHBondContact OE2-CB 3.32Å; T233-F235 HydrophobicContact CG2-CD2 3.82Å; T233-F235 HydrophobicContact CG2-CE1 4.2Å; T233-F235 HydrophobicContact CG2-CE2 3.22Å; T233-F235 HydrophobicContact CG2-CZ 3.44Å; T233-F235 VanDerWaalsContact CG2-CZ 3.44Å; F235-Q237 VanDerWaalsContact CB-OE1 3.23Å; F235-K257 HydrophobicContact CE1-CD 4.45Å; F235-D259 HydrophobicContact CD1-CB 3.85Å; F235-D259 HydrophobicContact CE1-CB 4.45Å
236	L	98.8	Very high	97.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.			trans	-129.2	8.3	179.6	-76.3	168.1	0	0	0	112	L212 L217 I220 L234 N239 I241 L258 D259 L260 N263	L212-L236 HydrophobicContact CB-CD2 3.8Å; L212-L236 HydrophobicContact CD1-CD2 4.01Å; L217-L236 HydrophobicContact CD1-CD2 3.91Å; I220-L236 HydrophobicContact CD1-CD1 4.33Å; I220-L236 HydrophobicContact CD1-CD2 4.02Å; I220-L236 HydrophobicContact CG1-CD1 4.25Å; L234-L236 HydrophobicContact CD1-CG 4.27Å; L234-L236 HydrophobicContact CD2-CD1 3.82Å; L234-L236 HydrophobicContact CD2-CG 4.42Å; L234-L236 HydrophobicContact CG-CD1 4.01Å; L234-L236 HydrophobicContact CG-CG 4.09Å; L236-N239 PolarHBondContact O-ND2 3.45Å; L236-I241 HydrophobicContact CB-CD1 4.08Å; L236-I241 HydrophobicContact CD2-CD1 4.28Å; L236-L258 HydrophobicContact CD1-CD1 4.26Å; L236-D259 CarbonylContact C-O 3.08Å; L236-D259 WeakPolarHBondContact CA-O 3.29Å; L236-D259 WeakPolarHBondContact CB-O 3.27Å; L236-D259 PolarHBondContact N-O 3.09Å; L236-L260 HydrophobicContact CB-CD2 3.89Å; L236-L260 HydrophobicContact CD1-CD2 3.97Å; L236-N263 PolarHBondContact O-ND2 2.97Å
237	Q	98.6	Very high	96.8	Very high	22 Å²	22	38 Å²	38	10%	0.103	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	152.1	-177.5	66.8	-78.9	11.6	0	0	112.8	E213 H214 F235 N239 D259 T261	E213-Q237 CarbonylContact C-O 3.54Å; E213-Q237 WeakPolarHBondContact CA-O 3.23Å; E213-Q237 HydrophobicContact CB-CG 3.65Å; E213-Q237 WeakPolarHBondContact CB-O 3.24Å; E213-Q237 HydrophobicContact CG-CG 4.35Å; H214-Q237 PolarHBondContact N-O 3.34Å; F235-Q237 VanDerWaalsContact CB-OE1 3.23Å; Q237-N239 VanDerWaalsContact C-N 3.27Å; Q237-N239 PolarHBondContact O-N 3.45Å; Q237-D259 PolarHBondContact N-O 2.83Å; Q237-T261 CarbonylContact C-O 3.01Å; Q237-T261 WeakPolarHBondContact CA-O 3.25Å; Q237-T261 WeakPolarHBondContact CB-O 3.38Å
238	W	98.7	Very high	96.5	Very high	123 Å²	123	35.2 Å²	35.2	47%	0.466	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	40.7	178.2	-56.8	111.2	0	0	0	114	H214 T261 G262	H214-W238 VanDerWaalsContact CA-O 3.31Å; H214-W238 WeakPolarHBondContact CA-O 3.1Å; H214-W238 WeakPolarHBondContact CE1-CB 3.24Å; H214-W238 AromaticContact CE1-CD1 3.27Å; H214-W238 AromaticContact CE1-CG 3.34Å; H214-W238 PolarHBondContact N-O 3.42Å; H214-W238 VanDerWaalsContact ND1-CB 3.33Å; H214-W238 WeakPolarHBondContact ND1-CB 3.31Å; H214-W238 AromaticContact ND1-CG 3.85Å; H214-W238 AromaticContact NE2-CD1 3.35Å; H214-W238 AromaticContact NE2-CG 3.86Å; W238-T261 PolarHBondContact N-O 3.04Å; W238-G262 WeakPolarHBondContact CA-O 3.48Å
239	N	98.7	Very high	96.1	Very high	8 Å²	8	45 Å²	45	4%	0.043	24%	0.242	C	C	.	.	S	Bend	trans	-99.5	-165.5	163.3	-84.3	-85.4	0	0	0	109.7	L212 N215 Q216 L217 L236 Q237 I241 N263	L212-N239 PolarHBondContact O-ND2 3.03Å; N215-N239 VanDerWaalsContact CA-OD1 3.25Å; N215-N239 WeakPolarHBondContact CA-OD1 3.42Å; N215-N239 WeakPolarHBondContact CB-OD1 3.28Å; N215-N239 PolarHBondContact N-OD1 3.38Å; N215-N239 PolarHBondContact O-OD1 3.08Å; Q216-N239 PolarHBondContact N-OD1 2.98Å; L217-N239 HydrophobicContact CB-CB 4.2Å; L217-N239 WeakPolarHBondContact CB-OD1 3.2Å; L217-N239 WeakPolarHBondContact CG-OD1 3.45Å; L217-N239 PolarHBondContact N-OD1 3.14Å; L236-N239 PolarHBondContact O-ND2 3.45Å; Q237-N239 VanDerWaalsContact C-N 3.27Å; Q237-N239 PolarHBondContact O-N 3.45Å; N239-I241 HydrophobicContact CB-CD1 3.9Å; N239-I241 HydrophobicContact CB-CG1 3.85Å; N239-N263 VanDerWaalsContact CA-OD1 3.24Å; N239-N263 WeakPolarHBondContact CA-OD1 3.16Å; N239-N263 WeakPolarHBondContact CB-OD1 3.25Å; N239-N263 PolarHBondContact N-OD1 3Å; N239-N263 PolarHBondContact O-OD1 3.24Å
240	K	98.4	Very high	96.1	Very high	106 Å²	106	43.6 Å²	43.6	46%	0.461	23%	0.227	S	C	.	.			trans	-113.7	30.4	176.8	-56.6	-172.4	-179.9	-166.3	0	111.3	L217 T218 S242	L217-K240 CarbonylContact O-C 3.15Å; L217-K240 VanDerWaalsContact O-CA 3.27Å; L217-K240 WeakPolarHBondContact O-CA 3.37Å; L217-K240 PolarHBondContact O-N 2.98Å; T218-K240 WeakPolarHBondContact CA-O 3.3Å; T218-K240 HydrophobicContact CG2-CB 4.33Å; K240-S242 PolarHBondContact O-N 3.4Å
241	I	98.4	Very high	95.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.242	C	C	.	.			trans	-69.5	120.4	-170.3	-60.1	162	0	0	0	108.6	L217 T218 I220 L236 N239 L244 L260 N263 E264 I265	L217-I241 HydrophobicContact CB-CG1 4.27Å; L217-I241 PolarHBondContact O-N 2.94Å; L217-I241 VanDerWaalsContact O-N 3.15Å; T218-I241 WeakPolarHBondContact O-CA 3.48Å; I220-I241 HydrophobicContact CB-CG2 4.41Å; I220-I241 HydrophobicContact CD1-CD1 4.11Å; I220-I241 HydrophobicContact CG1-CD1 3.5Å; I220-I241 HydrophobicContact CG1-CG1 3.88Å; I220-I241 HydrophobicContact CG1-CG2 3.98Å; L236-I241 HydrophobicContact CB-CD1 4.08Å; L236-I241 HydrophobicContact CD2-CD1 4.28Å; N239-I241 HydrophobicContact CB-CD1 3.9Å; N239-I241 HydrophobicContact CB-CG1 3.85Å; I241-L244 HydrophobicContact CG2-CD2 3.87Å; I241-L260 HydrophobicContact CD1-CD2 4.41Å; I241-N263 HydrophobicContact CB-CB 4.2Å; I241-N263 VanDerWaalsContact CB-OD1 3.32Å; I241-N263 WeakPolarHBondContact CB-OD1 3.46Å; I241-N263 WeakPolarHBondContact CD1-OD1 3.3Å; I241-N263 VanDerWaalsContact CG1-OD1 3.31Å; I241-N263 WeakPolarHBondContact CG1-OD1 3.31Å; I241-N263 PolarHBondContact N-OD1 3.24Å; I241-E264 CarbonylContact O-C 3.18Å; I241-E264 WeakPolarHBondContact O-CA 3.35Å; I241-E264 PolarHBondContact O-N 2.77Å; I241-I265 HydrophobicContact CB-CG1 4.46Å; I241-I265 HydrophobicContact CG2-CG1 4.23Å; I241-I265 WeakPolarHBondContact O-CG1 3.27Å; I241-I265 PolarHBondContact O-N 3.42Å
242	S	97.3	Very high	95.8	Very high	36 Å²	36	46.4 Å²	46.4	25%	0.252	24%	0.243	S	C	.	.			trans	-100.5	-30.6	178.7	70.5	0	0	0	0	113.7	T218 K240 E264 I265 K266	T218-S242 PolarHBondContact O-N 3.02Å; K240-S242 PolarHBondContact O-N 3.4Å; S242-E264 WeakPolarHBondContact CA-O 3.41Å; S242-I265 WeakPolarHBondContact O-CA 3.28Å; S242-K266 PolarHBondContact O-N 3.16Å
243	N	95.6	Very high	95.7	Very high	55 Å²	55	44.9 Å²	44.9	29%	0.294	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.2	-173.1	-64.4	42.9	0	0	0	110.3	I220 A267	I220-N243 PolarHBondContact N-O 2.86Å; N243-A267 WeakPolarHBondContact CA-O 3.21Å
244	L	96.9	Very high	95.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.4	169.8	-64	-176.7	0	0	0	109.7	I220 F222 I241 L260 I265 A267 I268 D269 V272	I220-L244 HydrophobicContact CB-CD2 4Å; I220-L244 HydrophobicContact CG2-CD2 4.45Å; F222-L244 HydrophobicContact CE2-CB 4.23Å; F222-L244 HydrophobicContact CE2-CD1 4.45Å; F222-L244 HydrophobicContact CE2-CD2 4.01Å; F222-L244 HydrophobicContact CE2-CG 4.47Å; F222-L244 HydrophobicContact CZ-CD2 4.18Å; I241-L244 HydrophobicContact CG2-CD2 3.87Å; L244-L260 HydrophobicContact CD1-CD1 3.74Å; L244-L260 HydrophobicContact CD2-CD2 4.2Å; L244-I265 HydrophobicContact CD1-CD1 4.06Å; L244-I265 HydrophobicContact CD1-CG2 4.48Å; L244-I265 HydrophobicContact CD2-CD1 4.4Å; L244-I265 HydrophobicContact CG-CD1 4.22Å; L244-I265 HydrophobicContact CG-CG2 4.34Å; L244-A267 PolarHBondContact N-O 3.38Å; L244-I268 HydrophobicContact CB-CG1 4.45Å; L244-I268 HydrophobicContact CB-CG2 4.22Å; L244-I268 HydrophobicContact CD1-CD1 4.25Å; L244-I268 HydrophobicContact CD1-CG1 4.15Å; L244-I268 HydrophobicContact CD1-CG2 4.41Å; L244-D269 PolarHBondContact O-N 2.94Å; L244-V272 HydrophobicContact CB-CG1 4.44Å; L244-V272 HydrophobicContact CB-CG2 4.35Å
245	T	95.8	Very high	95.6	Very high	16 Å²	16	45.5 Å²	45.5	10%	0.098	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.1	-176.9	59.1	0	0	0	0	111.2	K219 I220 N221 F222 D269	K219-T245 WeakPolarHBondContact CE-OG1 3.5Å; I220-T245 PolarHBondContact O-N 3.18Å; I220-T245 PolarHBondContact O-OG1 3.27Å; N221-T245 CarbonylContact C-O 3.49Å; N221-T245 VanDerWaalsContact CA-O 3.31Å; N221-T245 WeakPolarHBondContact CA-O 3.36Å; F222-T245 PolarHBondContact N-O 2.93Å; T245-D269 VanDerWaalsContact CA-OD2 3.23Å; T245-D269 WeakPolarHBondContact CA-OD2 3.39Å; T245-D269 VanDerWaalsContact CB-OD2 3.25Å; T245-D269 WeakPolarHBondContact CB-OD2 3.35Å; T245-D269 VanDerWaalsContact CG2-OD2 3.31Å; T245-D269 WeakPolarHBondContact CG2-OD2 3.5Å
246	C	92.6	Very high	95.6	Very high	13 Å²	13	47.9 Å²	47.9	9%	0.088	26%	0.26	C	S	.	.			trans	-136.2	102.4	169.5	-162.7	0	0	0	0	108.8	M248 W250 V272	C246-M248 PolarHBondContact O-N 2.7Å; C246-M248 PolarHBondContact SG-O 2.96Å; C246-W250 PolarHBondContact SG-NE1 3.09Å; C246-V272 HydrophobicContact CB-CG2 4.25Å
247	G	85	Confident	95.6	Very high	61 Å²	61	50.6 Å²	50.6	63%	0.629	27%	0.271	S	S	*	.			trans	-79.8	6	-173.7	0	0	0	0	0	115.3	N221	N221-G247 PolarHBondContact OD1-N 3.25Å
248	M	87	Confident	95.6	Very high	81 Å²	81	49.5 Å²	49.5	40%	0.399	27%	0.266	S	S	.	.	S	Bend	trans	-147.5	147.1	-176.1	-66.6	-174.6	163	0	0	109.9	A223 L226 C246 W250	A223-M248 HydrophobicContact CB-CB 4.13Å; A223-M248 HydrophobicContact CB-CG 4.05Å; A223-M248 HydrophobicContact CB-SD 4.21Å; L226-M248 HydrophobicContact CD1-SD 4.5Å; C246-M248 PolarHBondContact O-N 2.7Å; C246-M248 PolarHBondContact SG-O 2.96Å; M248-W250 PolarHBondContact O-N 3.32Å
249	E	89.7	Confident	95.6	Very high	204 Å²	204	44.4 Å²	44.4	95%	0.953	25%	0.248	S	C	*	.			trans	-81.6	114.6	168	-172	177.7	173.8	0	0	109.1
250	W	94	Very high	95.6	Very high	35 Å²	35	44 Å²	44	13%	0.133	25%	0.246	C	C	.	.			trans	-159.1	165.8	176.9	72.9	-62.8	0	0	0	109.8	F222 L226 C246 M248 W252 T275	F222-W250 VanDerWaalsContact O-CZ2 3.27Å; F222-W250 WeakPolarHBondContact O-CZ2 3.46Å; L226-W250 HydrophobicContact CB-CE3 4.49Å; L226-W250 HydrophobicContact CB-CZ3 4.48Å; L226-W250 HydrophobicContact CG-CE3 4.32Å; C246-W250 PolarHBondContact SG-NE1 3.09Å; M248-W250 PolarHBondContact O-N 3.32Å; W250-W252 HydrophobicContact CE3-CB 4.42Å; W250-W252 HydrophobicContact CH2-CB 3.69Å; W250-W252 AromaticContact CH2-CD2 3.43Å; W250-W252 HydrophobicContact CH2-CD2 3.43Å; W250-W252 VanDerWaalsContact CH2-CD2 3.43Å; W250-W252 AromaticContact CH2-CE3 3.62Å; W250-W252 HydrophobicContact CH2-CE3 3.62Å; W250-W252 AromaticContact CH2-CG 3.51Å; W250-W252 HydrophobicContact CH2-CG 3.51Å; W250-W252 HydrophobicContact CH2-CZ3 4.35Å; W250-W252 HydrophobicContact CZ2-CB 4.23Å; W250-W252 HydrophobicContact CZ2-CD2 4.14Å; W250-W252 AromaticContact CZ2-CE3 3.87Å; W250-W252 HydrophobicContact CZ2-CE3 3.87Å; W250-W252 HydrophobicContact CZ2-CG 4.36Å; W250-W252 HydrophobicContact CZ3-CB 3.78Å; W250-W252 HydrophobicContact CZ3-CD2 4.17Å; W250-W252 AromaticContact CZ3-CG 3.79Å; W250-W252 HydrophobicContact CZ3-CG 3.79Å; W250-T275 HydrophobicContact CD2-CG2 3.97Å; W250-T275 VanDerWaalsContact CE2-CG2 3.49Å; W250-T275 HydrophobicContact CG-CG2 4.23Å; W250-T275 HydrophobicContact CZ2-CG2 3.84Å; W250-T275 WeakPolarHBondContact O-CA 3.48Å; W250-T275 WeakPolarHBondContact O-CB 3.38Å; W250-T275 WeakPolarHBondContact O-CG2 3.49Å; W250-T275 PolarHBondContact O-OG1 2.72Å
251	T	95.6	Very high	95.7	Very high	100 Å²	100	40.1 Å²	40.1	61%	0.613	23%	0.231	S	C	*	.			trans	-119.4	118.8	-178.5	-51.8	0	0	0	0	110.7	G253 P277	T251-G253 PolarHBondContact O-N 2.83Å; T251-P277 HydrophobicContact CG2-CG 3.82Å
252	W	96.1	Very high	95.7	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.008	24%	0.236	C	C	.	.			trans	-92.8	71	170.8	-154.6	-6.5	0	0	0	110.3	F222 F225 L228 L231 L234 W250 T254 L255 T275 M276	F222-W252 HydrophobicContact CD1-CZ3 4.05Å; F225-W252 HydrophobicContact CB-CH2 3.19Å; F225-W252 HydrophobicContact CB-CZ2 3.74Å; F225-W252 HydrophobicContact CB-CZ3 3.67Å; F225-W252 HydrophobicContact CD1-CH2 4.27Å; F225-W252 AromaticContact CD2-CH2 3.9Å; F225-W252 HydrophobicContact CD2-CH2 3.9Å; F225-W252 AromaticContact CD2-CZ3 3.93Å; F225-W252 HydrophobicContact CD2-CZ3 3.93Å; F225-W252 AromaticContact CG-CH2 3.56Å; F225-W252 HydrophobicContact CG-CH2 3.56Å; F225-W252 HydrophobicContact CG-CZ2 4.45Å; F225-W252 HydrophobicContact CG-CZ3 4.02Å; L228-W252 HydrophobicContact CB-CZ2 4.03Å; L228-W252 PolarHBondContact O-NE1 3.39Å; L231-W252 HydrophobicContact CB-CZ2 3.72Å; L231-W252 HydrophobicContact CD2-CH2 3.79Å; L231-W252 HydrophobicContact CD2-CZ2 3.4Å; L231-W252 VanDerWaalsContact CD2-CZ2 3.4Å; L231-W252 HydrophobicContact CG-CZ2 4.18Å; L234-W252 HydrophobicContact CD2-CH2 3.97Å; L234-W252 HydrophobicContact CD2-CZ3 4.2Å; W250-W252 HydrophobicContact CE3-CB 4.42Å; W250-W252 HydrophobicContact CH2-CB 3.69Å; W250-W252 AromaticContact CH2-CD2 3.43Å; W250-W252 HydrophobicContact CH2-CD2 3.43Å; W250-W252 VanDerWaalsContact CH2-CD2 3.43Å; W250-W252 AromaticContact CH2-CE3 3.62Å; W250-W252 HydrophobicContact CH2-CE3 3.62Å; W250-W252 AromaticContact CH2-CG 3.51Å; W250-W252 HydrophobicContact CH2-CG 3.51Å; W250-W252 HydrophobicContact CH2-CZ3 4.35Å; W250-W252 HydrophobicContact CZ2-CB 4.23Å; W250-W252 HydrophobicContact CZ2-CD2 4.14Å; W250-W252 AromaticContact CZ2-CE3 3.87Å; W250-W252 HydrophobicContact CZ2-CE3 3.87Å; W250-W252 HydrophobicContact CZ2-CG 4.36Å; W250-W252 HydrophobicContact CZ3-CB 3.78Å; W250-W252 HydrophobicContact CZ3-CD2 4.17Å; W250-W252 AromaticContact CZ3-CG 3.79Å; W250-W252 HydrophobicContact CZ3-CG 3.79Å; W252-T254 PolarHBondContact O-N 3.15Å; W252-L255 HydrophobicContact CD2-CB 4.15Å; W252-L255 HydrophobicContact CD2-CD2 4.37Å; W252-L255 HydrophobicContact CE3-CD2 4.05Å; W252-L255 HydrophobicContact CG-CB 4.13Å; W252-L255 HydrophobicContact CH2-CD1 4.45Å; W252-L255 HydrophobicContact CZ2-CD1 4.27Å; W252-L255 HydrophobicContact CZ3-CD2 4.19Å; W252-L255 PolarHBondContact O-N 2.97Å; W252-T275 WeakPolarHBondContact CA-O 3.48Å; W252-T275 HydrophobicContact CB-CG2 3.91Å; W252-T275 PolarHBondContact N-O 2.94Å; W252-M276 HydrophobicContact CB-CG 4.19Å; W252-M276 HydrophobicContact CE3-CG 4.43Å; W252-M276 HydrophobicContact CE3-SD 4.43Å
253	G	96.3	Very high	95.7	Very high	33 Å²	33	39.2 Å²	39.2	34%	0.34	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-2.9	-172	0	0	0	0	0	115.9	T251 N278	T251-G253 PolarHBondContact O-N 2.83Å; G253-N278 PolarHBondContact O-ND2 2.9Å
254	T	98	Very high	95.9	Very high	39 Å²	39	40.2 Å²	40.2	24%	0.239	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-20.2	-176.6	43.3	0	0	0	0	113.7	S229 L231 H232 W252 E256	S229-T254 WeakPolarHBondContact O-CG2 3.38Å; S229-T254 PolarHBondContact O-OG1 3.01Å; L231-T254 CarbonylContact O-C 3.07Å; L231-T254 WeakPolarHBondContact O-CB 3.32Å; L231-T254 PolarHBondContact O-OG1 3.32Å; H232-T254 PolarHBondContact ND1-O 2.88Å; W252-T254 PolarHBondContact O-N 3.15Å; T254-E256 WeakPolarHBondContact O-CG 3.42Å; T254-E256 PolarHBondContact O-N 3.46Å
255	L	98.3	Very high	95.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.229	C	C	.	.			trans	-72	123.3	-173.5	-162.4	77.7	0	0	0	111.1	L231 L234 W252 L258 M276 N278 L279	L231-L255 HydrophobicContact CB-CD1 4.38Å; L231-L255 HydrophobicContact CD2-CD1 4Å; L231-L255 HydrophobicContact CG-CD1 4.25Å; L231-L255 VanDerWaalsContact O-CA 3.28Å; L231-L255 WeakPolarHBondContact O-CA 3.41Å; L231-L255 PolarHBondContact O-N 3.2Å; L231-L255 VanDerWaalsContact O-N 3.15Å; L234-L255 HydrophobicContact CB-CD1 3.98Å; W252-L255 HydrophobicContact CD2-CB 4.15Å; W252-L255 HydrophobicContact CD2-CD2 4.37Å; W252-L255 HydrophobicContact CE3-CD2 4.05Å; W252-L255 HydrophobicContact CG-CB 4.13Å; W252-L255 HydrophobicContact CH2-CD1 4.45Å; W252-L255 HydrophobicContact CZ2-CD1 4.27Å; W252-L255 HydrophobicContact CZ3-CD2 4.19Å; W252-L255 PolarHBondContact O-N 2.97Å; L255-L258 HydrophobicContact CD2-CB 4.4Å; L255-M276 HydrophobicContact CD2-CG 4.05Å; L255-M276 HydrophobicContact CD2-SD 3.38Å; L255-M276 WeakPolarHBondContact CD2-SD 3.21Å; L255-N278 CarbonylContact O-C 3.52Å; L255-L279 HydrophobicContact CD2-CD1 4.33Å; L255-L279 HydrophobicContact CG-CD1 4.5Å; L255-L279 PolarHBondContact O-N 3.44Å
256	E	98.5	Very high	96	Very high	72 Å²	72	46.1 Å²	46.1	34%	0.336	25%	0.253	S	S	.	.			trans	-113.4	-29.9	-178	-57.9	-161.7	148.6	0	0	112.8	H232 T254 K280 I281	H232-E256 PolarHBondContact O-N 3.48Å; T254-E256 WeakPolarHBondContact O-CG 3.42Å; T254-E256 PolarHBondContact O-N 3.46Å; E256-K280 HydrophobicContact CB-CD 4.36Å; E256-K280 VanDerWaalsContact CD-NZ 3.27Å; E256-K280 WeakPolarHBondContact O-CA 3.47Å; E256-K280 PolarHBondContact O-N 3.34Å; E256-K280 IonicContact OE1-NZ 3.74Å; E256-K280 PolarHBondContact OE1-NZ 3.16Å; E256-K280 IonicContact OE2-NZ 3.66Å; E256-K280 PolarHBondContact OE2-NZ 3.37Å; E256-I281 PolarHBondContact O-N 3.4Å
257	K	98.8	Very high	96	Very high	56 Å²	56	47.7 Å²	47.7	24%	0.243	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.1	-179.5	176	174.4	177.4	-176.6	0	111.5	H232 T233 L234 F235 I281	H232-K257 PolarHBondContact O-N 3.44Å; T233-K257 WeakPolarHBondContact CA-O 3.38Å; T233-K257 HydrophobicContact CG2-CB 4.11Å; T233-K257 HydrophobicContact CG2-CD 3.96Å; T233-K257 HydrophobicContact CG2-CG 4.1Å; L234-K257 PolarHBondContact N-O 2.92Å; F235-K257 HydrophobicContact CE1-CD 4.45Å; K257-I281 WeakPolarHBondContact CA-O 3.34Å; K257-I281 HydrophobicContact CB-CB 4.15Å; K257-I281 HydrophobicContact CD-CD1 4.34Å; K257-I281 HydrophobicContact CD-CG2 4.42Å; K257-I281 HydrophobicContact CG-CB 4Å; K257-I281 HydrophobicContact CG-CG2 4.09Å
258	L	98.7	Very high	96.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117.4	173.6	178.4	58.5	0	0	0	109.9	F222 L234 L236 L255 L260 F273 M276 L279 I281 L282 L283	F222-L258 HydrophobicContact CE1-CD1 4.49Å; F222-L258 HydrophobicContact CE1-CD2 4.22Å; F222-L258 HydrophobicContact CZ-CD2 4.02Å; L234-L258 HydrophobicContact CB-CD1 4.08Å; L234-L258 HydrophobicContact CD2-CD1 3.89Å; L234-L258 HydrophobicContact CG-CD1 3.99Å; L236-L258 HydrophobicContact CD1-CD1 4.26Å; L255-L258 HydrophobicContact CD2-CB 4.4Å; L258-L260 HydrophobicContact CD1-CD2 4.48Å; L258-L260 HydrophobicContact CD1-CG 4.18Å; L258-L260 HydrophobicContact CD2-CD1 3.84Å; L258-L260 HydrophobicContact CD2-CG 4.4Å; L258-L260 HydrophobicContact CG-CD1 3.96Å; L258-L260 HydrophobicContact CG-CG 4.02Å; L258-F273 HydrophobicContact CD2-CE1 4.14Å; L258-M276 HydrophobicContact CD2-CE 4.28Å; L258-M276 HydrophobicContact CD2-SD 4.12Å; L258-L279 HydrophobicContact CB-CD1 3.82Å; L258-I281 PolarHBondContact N-O 2.73Å; L258-L282 HydrophobicContact CB-CD1 4.25Å; L258-L282 HydrophobicContact CD2-CD1 4.09Å; L258-L282 HydrophobicContact CG-CD1 4.2Å; L258-L282 WeakPolarHBondContact O-CA 3.01Å; L258-L283 PolarHBondContact O-N 3.32Å
259	D	98.8	Very high	97	Very high	16 Å²	16	45.4 Å²	45.4	9%	0.086	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.7	176.9	-166.3	-14.6	0	0	0	110.7	L234 F235 L236 Q237 T261 L283	L234-D259 PolarHBondContact O-N 3.08Å; F235-D259 HydrophobicContact CD1-CB 3.85Å; F235-D259 HydrophobicContact CE1-CB 4.45Å; L236-D259 CarbonylContact C-O 3.08Å; L236-D259 WeakPolarHBondContact CA-O 3.29Å; L236-D259 WeakPolarHBondContact CB-O 3.27Å; L236-D259 PolarHBondContact N-O 3.09Å; Q237-D259 PolarHBondContact N-O 2.83Å; D259-T261 WeakPolarHBondContact OD1-CB 3.46Å; D259-T261 PolarHBondContact OD1-N 2.61Å; D259-T261 PolarHBondContact OD1-OG1 3.05Å; D259-L283 HydrophobicContact CB-CD1 4.49Å
260	L	98.7	Very high	97.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.			trans	-118.4	14.4	179.6	-68.4	161.3	0	0	0	111.5	L236 I241 L244 L258 N263 I265 L282 L283 M284 N287	L236-L260 HydrophobicContact CB-CD2 3.89Å; L236-L260 HydrophobicContact CD1-CD2 3.97Å; I241-L260 HydrophobicContact CD1-CD2 4.41Å; L244-L260 HydrophobicContact CD1-CD1 3.74Å; L244-L260 HydrophobicContact CD2-CD2 4.2Å; L258-L260 HydrophobicContact CD1-CD2 4.48Å; L258-L260 HydrophobicContact CD1-CG 4.18Å; L258-L260 HydrophobicContact CD2-CD1 3.84Å; L258-L260 HydrophobicContact CD2-CG 4.4Å; L258-L260 HydrophobicContact CG-CD1 3.96Å; L258-L260 HydrophobicContact CG-CG 4.02Å; L260-N263 PolarHBondContact O-ND2 3.45Å; L260-I265 HydrophobicContact CB-CD1 3.92Å; L260-I265 HydrophobicContact CD1-CD1 4.24Å; L260-I265 HydrophobicContact CD2-CD1 4.2Å; L260-I265 HydrophobicContact CG-CD1 4.36Å; L260-L282 HydrophobicContact CD1-CD1 4.29Å; L260-L283 CarbonylContact C-O 3.47Å; L260-L283 WeakPolarHBondContact CA-O 3.13Å; L260-L283 WeakPolarHBondContact CB-O 3.34Å; L260-L283 PolarHBondContact N-O 3.33Å; L260-M284 HydrophobicContact CB-CG 4.34Å; L260-M284 HydrophobicContact CD1-CG 4.22Å; L260-N287 PolarHBondContact O-ND2 3.47Å
261	T	98.8	Very high	97.2	Very high	23 Å²	23	40.4 Å²	40.4	14%	0.141	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	141.4	-176.6	-56.4	0	0	0	0	112.1	Q237 W238 D259 N263 L283 D285	Q237-T261 CarbonylContact C-O 3.01Å; Q237-T261 WeakPolarHBondContact CA-O 3.25Å; Q237-T261 WeakPolarHBondContact CB-O 3.38Å; W238-T261 PolarHBondContact N-O 3.04Å; D259-T261 WeakPolarHBondContact OD1-CB 3.46Å; D259-T261 PolarHBondContact OD1-N 2.61Å; D259-T261 PolarHBondContact OD1-OG1 3.05Å; T261-N263 VanDerWaalsContact C-N 3.34Å; T261-N263 PolarHBondContact O-N 3Å; T261-L283 WeakPolarHBondContact OG1-CB 3.21Å; T261-D285 CarbonylContact C-O 3.49Å; T261-D285 VanDerWaalsContact CA-O 3.27Å; T261-D285 WeakPolarHBondContact CA-O 3.39Å; T261-D285 HydrophobicContact CG2-CB 4.01Å
262	G	98.6	Very high	97.2	Very high	9 Å²	9	35.7 Å²	35.7	9%	0.093	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	30.4	170.9	0	0	0	0	0	114.5	W238 D285 N286	W238-G262 WeakPolarHBondContact CA-O 3.48Å; G262-D285 PolarHBondContact N-O 3.4Å; G262-N286 WeakPolarHBondContact CA-O 3.5Å; G262-N286 PolarHBondContact N-O 3.02Å
263	N	98.7	Very high	97.2	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.043	20%	0.197	C	C	.	.	S	Bend	trans	-98.1	-170.2	171.2	-83.9	-77.8	0	0	0	110.8	L236 N239 I241 L260 T261 I265 N287	L236-N263 PolarHBondContact O-ND2 2.97Å; N239-N263 VanDerWaalsContact CA-OD1 3.24Å; N239-N263 WeakPolarHBondContact CA-OD1 3.16Å; N239-N263 WeakPolarHBondContact CB-OD1 3.25Å; N239-N263 PolarHBondContact N-OD1 3Å; N239-N263 PolarHBondContact O-OD1 3.24Å; I241-N263 HydrophobicContact CB-CB 4.2Å; I241-N263 VanDerWaalsContact CB-OD1 3.32Å; I241-N263 WeakPolarHBondContact CB-OD1 3.46Å; I241-N263 WeakPolarHBondContact CD1-OD1 3.3Å; I241-N263 VanDerWaalsContact CG1-OD1 3.31Å; I241-N263 WeakPolarHBondContact CG1-OD1 3.31Å; I241-N263 PolarHBondContact N-OD1 3.24Å; L260-N263 PolarHBondContact O-ND2 3.45Å; T261-N263 VanDerWaalsContact C-N 3.34Å; T261-N263 PolarHBondContact O-N 3Å; N263-I265 HydrophobicContact CB-CD1 4.13Å; N263-I265 HydrophobicContact CB-CG1 3.94Å; N263-N287 VanDerWaalsContact CA-OD1 3.32Å; N263-N287 WeakPolarHBondContact CA-OD1 3.47Å; N263-N287 WeakPolarHBondContact CB-OD1 3.34Å; N263-N287 PolarHBondContact N-OD1 2.81Å; N263-N287 PolarHBondContact O-OD1 2.81Å
264	E	98.4	Very high	97.1	Very high	77 Å²	77	38.7 Å²	38.7	36%	0.36	20%	0.202	S	C	.	.			trans	-112.7	29.4	178.8	-60.4	-168	-144.4	0	0	111.8	I241 S242 K266 K288	I241-E264 CarbonylContact O-C 3.18Å; I241-E264 WeakPolarHBondContact O-CA 3.35Å; I241-E264 PolarHBondContact O-N 2.77Å; S242-E264 WeakPolarHBondContact CA-O 3.41Å; E264-K266 PolarHBondContact O-N 3.15Å; E264-K288 HydrophobicContact CB-CD 4.14Å; E264-K288 IonicContact OE2-NZ 3.95Å; E264-K288 PolarHBondContact OE2-NZ 2.95Å
265	I	98.4	Very high	96.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.			trans	-66	122.3	-169.3	-58.9	165.3	0	0	0	109.3	I241 S242 L244 L260 N263 I268 N287 K288 L289	I241-I265 HydrophobicContact CB-CG1 4.46Å; I241-I265 HydrophobicContact CG2-CG1 4.23Å; I241-I265 WeakPolarHBondContact O-CG1 3.27Å; I241-I265 PolarHBondContact O-N 3.42Å; S242-I265 WeakPolarHBondContact O-CA 3.28Å; L244-I265 HydrophobicContact CD1-CD1 4.06Å; L244-I265 HydrophobicContact CD1-CG2 4.48Å; L244-I265 HydrophobicContact CD2-CD1 4.4Å; L244-I265 HydrophobicContact CG-CD1 4.22Å; L244-I265 HydrophobicContact CG-CG2 4.34Å; L260-I265 HydrophobicContact CB-CD1 3.92Å; L260-I265 HydrophobicContact CD1-CD1 4.24Å; L260-I265 HydrophobicContact CD2-CD1 4.2Å; L260-I265 HydrophobicContact CG-CD1 4.36Å; N263-I265 HydrophobicContact CB-CD1 4.13Å; N263-I265 HydrophobicContact CB-CG1 3.94Å; I265-I268 HydrophobicContact CG2-CD1 4.27Å; I265-I268 HydrophobicContact CG2-CG1 3.83Å; I265-N287 HydrophobicContact CB-CB 4.3Å; I265-N287 VanDerWaalsContact CB-OD1 3.27Å; I265-N287 WeakPolarHBondContact CB-OD1 3.48Å; I265-N287 WeakPolarHBondContact CD1-OD1 3.42Å; I265-N287 WeakPolarHBondContact CG1-OD1 3.5Å; I265-N287 PolarHBondContact N-OD1 2.91Å; I265-K288 CarbonylContact O-C 3.5Å; I265-K288 VanDerWaalsContact O-CA 3.27Å; I265-K288 WeakPolarHBondContact O-CA 3.34Å; I265-K288 PolarHBondContact O-N 3.24Å; I265-L289 HydrophobicContact CG2-CD2 3.87Å; I265-L289 PolarHBondContact O-N 3.49Å; I265-L289 VanDerWaalsContact O-N 3.11Å
266	K	96.2	Very high	96.8	Very high	140 Å²	140	37.4 Å²	37.4	61%	0.609	19%	0.194	S	C	*	.			trans	-120.2	-19.7	177	61	-179.5	177.2	-178.2	0	113.3	S242 E264 K288	S242-K266 PolarHBondContact O-N 3.16Å; E264-K266 PolarHBondContact O-N 3.15Å; K266-K288 HydrophobicContact CB-CB 4.48Å
267	A	94.2	Very high	96.7	Very high	45 Å²	45	36.4 Å²	36.4	37%	0.372	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	137.2	-177.6	0	0	0	0	0	110.8	N243 L244	N243-A267 WeakPolarHBondContact CA-O 3.21Å; L244-A267 PolarHBondContact N-O 3.38Å
268	I	97	Very high	96.7	Very high	22 Å²	22	37.4 Å²	37.4	11%	0.113	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.9	179.2	-54.7	-178.3	0	0	0	107.2	L244 I265 V272 F273 M284 L289 L292 I296	L244-I268 HydrophobicContact CB-CG1 4.45Å; L244-I268 HydrophobicContact CB-CG2 4.22Å; L244-I268 HydrophobicContact CD1-CD1 4.25Å; L244-I268 HydrophobicContact CD1-CG1 4.15Å; L244-I268 HydrophobicContact CD1-CG2 4.41Å; I265-I268 HydrophobicContact CG2-CD1 4.27Å; I265-I268 HydrophobicContact CG2-CG1 3.83Å; I268-V272 HydrophobicContact CG2-CB 4.13Å; I268-V272 HydrophobicContact CG2-CG1 4.38Å; I268-V272 HydrophobicContact CG2-CG2 4.34Å; I268-F273 HydrophobicContact CD1-CE2 4.2Å; I268-F273 HydrophobicContact CG2-CD2 4.32Å; I268-F273 HydrophobicContact CG2-CE2 3.85Å; I268-M284 HydrophobicContact CD1-SD 4.03Å; I268-L289 HydrophobicContact CD1-CD1 4.45Å; I268-L289 HydrophobicContact CD1-CD2 3.95Å; I268-L289 HydrophobicContact CG1-CD2 4.17Å; I268-L292 HydrophobicContact CD1-CD2 4.02Å; I268-I296 HydrophobicContact CB-CD1 3.95Å; I268-I296 HydrophobicContact CG2-CD1 3.93Å
269	D	95.5	Very high	96.6	Very high	73 Å²	73	37.5 Å²	37.5	39%	0.39	20%	0.202	S	C	.	.			trans	-63.8	140.2	173.3	-71.2	-11.6	0	0	0	110.4	L244 T245 T271 V272	L244-D269 PolarHBondContact O-N 2.94Å; T245-D269 VanDerWaalsContact CA-OD2 3.23Å; T245-D269 WeakPolarHBondContact CA-OD2 3.39Å; T245-D269 VanDerWaalsContact CB-OD2 3.25Å; T245-D269 WeakPolarHBondContact CB-OD2 3.35Å; T245-D269 VanDerWaalsContact CG2-OD2 3.31Å; T245-D269 WeakPolarHBondContact CG2-OD2 3.5Å; D269-T271 PolarHBondContact O-N 3.48Å; D269-V272 HydrophobicContact CB-CG2 3.81Å; D269-V272 WeakPolarHBondContact O-CB 3.47Å; D269-V272 WeakPolarHBondContact O-CG2 3.34Å; D269-V272 PolarHBondContact O-N 3.05Å; D269-V272 VanDerWaalsContact O-N 3.11Å
270	L	94.6	Very high	96.6	Very high	76 Å²	76	40.7 Å²	40.7	40%	0.398	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.7	-171.8	-63.1	171.7	0	0	0	114.7	D293 K295 I296	L270-D293 HydrophobicContact CD2-CB 3.55Å; L270-D293 VanDerWaalsContact CD2-CG 3.5Å; L270-K295 HydrophobicContact CB-CD 4.08Å; L270-K295 HydrophobicContact CB-CG 4.47Å; L270-K295 HydrophobicContact CD2-CB 4.39Å; L270-I296 HydrophobicContact CD2-CD1 4.35Å; L270-I296 HydrophobicContact CD2-CG1 4.28Å
271	T	93.1	Very high	96.6	Very high	58 Å²	58	43 Å²	43	36%	0.356	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-4.7	-176.7	56.5	0	0	0	0	113.6	D269 F273 E274	D269-T271 PolarHBondContact O-N 3.48Å; T271-F273 VanDerWaalsContact C-N 3.32Å; T271-F273 PolarHBondContact O-N 3.13Å; T271-E274 PolarHBondContact O-N 3.04Å
272	V	95.3	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-44.6	-172.7	161.6	0	0	0	0	112.5	F222 L244 C246 I268 D269 M276	F222-V272 HydrophobicContact CD2-CG1 3.64Å; F222-V272 HydrophobicContact CD2-CG2 4.43Å; F222-V272 HydrophobicContact CE2-CG1 3.39Å; F222-V272 HydrophobicContact CZ-CG1 4.38Å; L244-V272 HydrophobicContact CB-CG1 4.44Å; L244-V272 HydrophobicContact CB-CG2 4.35Å; C246-V272 HydrophobicContact CB-CG2 4.25Å; I268-V272 HydrophobicContact CG2-CB 4.13Å; I268-V272 HydrophobicContact CG2-CG1 4.38Å; I268-V272 HydrophobicContact CG2-CG2 4.34Å; D269-V272 HydrophobicContact CB-CG2 3.81Å; D269-V272 WeakPolarHBondContact O-CB 3.47Å; D269-V272 WeakPolarHBondContact O-CG2 3.34Å; D269-V272 PolarHBondContact O-N 3.05Å; D269-V272 VanDerWaalsContact O-N 3.11Å; V272-M276 HydrophobicContact CG1-CE 4.04Å; V272-M276 WeakPolarHBondContact O-CE 3.2Å
273	F	95.7	Very high	96.6	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-11.5	-176	-64.8	-68.1	0	0	0	113.7	L258 I268 T271 T275 M276 L279 L282 M284 I296 S299 L300	L258-F273 HydrophobicContact CD2-CE1 4.14Å; I268-F273 HydrophobicContact CD1-CE2 4.2Å; I268-F273 HydrophobicContact CG2-CD2 4.32Å; I268-F273 HydrophobicContact CG2-CE2 3.85Å; T271-F273 VanDerWaalsContact C-N 3.32Å; T271-F273 PolarHBondContact O-N 3.13Å; F273-T275 PolarHBondContact O-N 3.02Å; F273-M276 HydrophobicContact CD1-CE 3.66Å; F273-M276 HydrophobicContact CE1-CE 4.12Å; F273-M276 HydrophobicContact CG-CE 4.5Å; F273-M276 PolarHBondContact O-N 3.21Å; F273-M276 VanDerWaalsContact O-N 3.09Å; F273-L279 HydrophobicContact CD1-CD2 4.17Å; F273-L279 HydrophobicContact CE1-CD2 4.38Å; F273-L282 HydrophobicContact CD1-CD2 4.37Å; F273-L282 HydrophobicContact CE1-CD1 3.8Å; F273-L282 HydrophobicContact CE1-CD2 3.76Å; F273-L282 HydrophobicContact CE1-CG 4.46Å; F273-L282 HydrophobicContact CE2-CD2 4.46Å; F273-L282 HydrophobicContact CZ-CD1 4.09Å; F273-L282 HydrophobicContact CZ-CD2 3.8Å; F273-M284 HydrophobicContact CZ-SD 4.04Å; F273-I296 HydrophobicContact CD2-CG2 3.71Å; F273-I296 HydrophobicContact CE2-CG2 4.05Å; F273-S299 VanDerWaalsContact CB-OG 3.26Å; F273-S299 WeakPolarHBondContact CB-OG 3.43Å; F273-L300 HydrophobicContact CB-CD2 3.76Å; F273-L300 HydrophobicContact CB-CG 4.4Å; F273-L300 HydrophobicContact CD1-CD2 3.87Å; F273-L300 HydrophobicContact CD2-CD2 4.36Å; F273-L300 HydrophobicContact CG-CD2 3.75Å
274	E	94.5	Very high	96.6	Very high	97 Å²	97	42.9 Å²	42.9	45%	0.453	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-30.7	168.6	-64.5	-176.8	179.1	0	0	111.2	T271 M276 K295	T271-E274 PolarHBondContact O-N 3.04Å; E274-M276 PolarHBondContact O-N 2.74Å; E274-K295 WeakPolarHBondContact OE1-CE 3.48Å; E274-K295 IonicContact OE1-NZ 2.73Å
275	T	94.5	Very high	96.6	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.043	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.2	173.4	-65.1	0	0	0	0	113.1	W250 W252 F273 P277	W250-T275 HydrophobicContact CD2-CG2 3.97Å; W250-T275 VanDerWaalsContact CE2-CG2 3.49Å; W250-T275 HydrophobicContact CG-CG2 4.23Å; W250-T275 HydrophobicContact CZ2-CG2 3.84Å; W250-T275 WeakPolarHBondContact O-CA 3.48Å; W250-T275 WeakPolarHBondContact O-CB 3.38Å; W250-T275 WeakPolarHBondContact O-CG2 3.49Å; W250-T275 PolarHBondContact O-OG1 2.72Å; W252-T275 WeakPolarHBondContact CA-O 3.48Å; W252-T275 HydrophobicContact CB-CG2 3.91Å; W252-T275 PolarHBondContact N-O 2.94Å; F273-T275 PolarHBondContact O-N 3.02Å; T275-P277 VanDerWaalsContact C-CD 3.42Å; T275-P277 WeakPolarHBondContact O-CD 3.48Å
276	M	96.7	Very high	96.6	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.02	23%	0.231	C	C	.	.			trans	-121.2	64.9	-169.6	-63.8	171	-84.4	0	0	112.1	F222 W252 L255 L258 V272 F273 E274 N278 L279	F222-M276 HydrophobicContact CE1-CE 4.41Å; F222-M276 HydrophobicContact CE2-CE 4.42Å; F222-M276 HydrophobicContact CZ-CE 4.34Å; W252-M276 HydrophobicContact CB-CG 4.19Å; W252-M276 HydrophobicContact CE3-CG 4.43Å; W252-M276 HydrophobicContact CE3-SD 4.43Å; L255-M276 HydrophobicContact CD2-CG 4.05Å; L255-M276 HydrophobicContact CD2-SD 3.38Å; L255-M276 WeakPolarHBondContact CD2-SD 3.21Å; L258-M276 HydrophobicContact CD2-CE 4.28Å; L258-M276 HydrophobicContact CD2-SD 4.12Å; V272-M276 HydrophobicContact CG1-CE 4.04Å; V272-M276 WeakPolarHBondContact O-CE 3.2Å; F273-M276 HydrophobicContact CD1-CE 3.66Å; F273-M276 HydrophobicContact CE1-CE 4.12Å; F273-M276 HydrophobicContact CG-CE 4.5Å; F273-M276 PolarHBondContact O-N 3.21Å; F273-M276 VanDerWaalsContact O-N 3.09Å; E274-M276 PolarHBondContact O-N 2.74Å; M276-N278 PolarHBondContact O-N 2.87Å; M276-L279 HydrophobicContact CB-CB 4.28Å; M276-L279 WeakPolarHBondContact O-CB 3.19Å; M276-L279 PolarHBondContact O-N 3.36Å
277	P	96	Very high	96.7	Very high	52 Å²	52	37.5 Å²	37.5	34%	0.338	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.5	-171.4	27.2	-36.3	0	0	0	114.6	T251 T275 S302	T251-P277 HydrophobicContact CG2-CG 3.82Å; T275-P277 VanDerWaalsContact C-CD 3.42Å; T275-P277 WeakPolarHBondContact O-CD 3.48Å; P277-S302 WeakPolarHBondContact O-CB 3.39Å; P277-S302 PolarHBondContact O-OG 2.79Å
278	N	97.3	Very high	96.9	Very high	77 Å²	77	39.8 Å²	39.8	41%	0.412	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	11.5	-177.8	-67.6	-29.8	0	0	0	113.2	G253 L255 M276 K280	G253-N278 PolarHBondContact O-ND2 2.9Å; L255-N278 CarbonylContact O-C 3.52Å; M276-N278 PolarHBondContact O-N 2.87Å; N278-K280 PolarHBondContact O-N 2.73Å
279	L	98.2	Very high	96.9	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.201	C	C	.	.			trans	-62.2	126.8	178.2	-167.6	66.5	0	0	0	109.9	L255 L258 F273 M276 L282 L300 S302 L303	L255-L279 HydrophobicContact CD2-CD1 4.33Å; L255-L279 HydrophobicContact CG-CD1 4.5Å; L255-L279 PolarHBondContact O-N 3.44Å; L258-L279 HydrophobicContact CB-CD1 3.82Å; F273-L279 HydrophobicContact CD1-CD2 4.17Å; F273-L279 HydrophobicContact CE1-CD2 4.38Å; M276-L279 HydrophobicContact CB-CB 4.28Å; M276-L279 WeakPolarHBondContact O-CB 3.19Å; M276-L279 PolarHBondContact O-N 3.36Å; L279-L282 HydrophobicContact CD2-CB 4.01Å; L279-L282 HydrophobicContact CD2-CD1 4.23Å; L279-L282 HydrophobicContact CD2-CD2 4.35Å; L279-L282 HydrophobicContact CD2-CG 4.42Å; L279-L300 HydrophobicContact CD2-CD2 4.31Å; L279-S302 CarbonylContact O-C 3.55Å; L279-S302 WeakPolarHBondContact O-CB 3.4Å; L279-L303 HydrophobicContact CB-CD1 4.18Å; L279-L303 HydrophobicContact CD2-CD1 4.3Å; L279-L303 HydrophobicContact CG-CD1 4.24Å; L279-L303 WeakPolarHBondContact O-CD1 3.2Å; L279-L303 PolarHBondContact O-N 2.98Å
280	K	98.3	Very high	97	Very high	83 Å²	83	37.8 Å²	37.8	36%	0.361	20%	0.195	S	C	.	.			trans	-110.1	-32.6	-179.2	-67.7	172.2	-176.8	163.2	0	112.2	E256 N278 T304 T305	E256-K280 HydrophobicContact CB-CD 4.36Å; E256-K280 VanDerWaalsContact CD-NZ 3.27Å; E256-K280 WeakPolarHBondContact O-CA 3.47Å; E256-K280 PolarHBondContact O-N 3.34Å; E256-K280 IonicContact OE1-NZ 3.74Å; E256-K280 PolarHBondContact OE1-NZ 3.16Å; E256-K280 IonicContact OE2-NZ 3.66Å; E256-K280 PolarHBondContact OE2-NZ 3.37Å; N278-K280 PolarHBondContact O-N 2.73Å; K280-T304 PolarHBondContact O-N 3.01Å; K280-T304 PolarHBondContact O-OG1 2.88Å; K280-T305 PolarHBondContact O-N 2.94Å; K280-T305 VanDerWaalsContact O-N 3.09Å
281	I	98.7	Very high	97.1	Very high	49 Å²	49	35.9 Å²	35.9	25%	0.251	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	118.5	-177.6	-55.8	179.8	0	0	0	108.5	E256 K257 L258 L283 T305	E256-I281 PolarHBondContact O-N 3.4Å; K257-I281 WeakPolarHBondContact CA-O 3.34Å; K257-I281 HydrophobicContact CB-CB 4.15Å; K257-I281 HydrophobicContact CD-CD1 4.34Å; K257-I281 HydrophobicContact CD-CG2 4.42Å; K257-I281 HydrophobicContact CG-CB 4Å; K257-I281 HydrophobicContact CG-CG2 4.09Å; L258-I281 PolarHBondContact N-O 2.73Å; I281-L283 HydrophobicContact CG2-CD2 4.13Å; I281-L283 HydrophobicContact CG2-CG 4.07Å; I281-T305 WeakPolarHBondContact CA-O 3.32Å; I281-T305 HydrophobicContact CG2-CG2 4.45Å
282	L	98.6	Very high	97.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	113.4	174.9	177	58.8	0	0	0	109.4	L258 L260 F273 L279 M284 L300 L303 T305 V306 G307	L258-L282 HydrophobicContact CB-CD1 4.25Å; L258-L282 HydrophobicContact CD2-CD1 4.09Å; L258-L282 HydrophobicContact CG-CD1 4.2Å; L258-L282 WeakPolarHBondContact O-CA 3.01Å; L260-L282 HydrophobicContact CD1-CD1 4.29Å; F273-L282 HydrophobicContact CD1-CD2 4.37Å; F273-L282 HydrophobicContact CE1-CD1 3.8Å; F273-L282 HydrophobicContact CE1-CD2 3.76Å; F273-L282 HydrophobicContact CE1-CG 4.46Å; F273-L282 HydrophobicContact CE2-CD2 4.46Å; F273-L282 HydrophobicContact CZ-CD1 4.09Å; F273-L282 HydrophobicContact CZ-CD2 3.8Å; L279-L282 HydrophobicContact CD2-CB 4.01Å; L279-L282 HydrophobicContact CD2-CD1 4.23Å; L279-L282 HydrophobicContact CD2-CD2 4.35Å; L279-L282 HydrophobicContact CD2-CG 4.42Å; L282-M284 HydrophobicContact CD1-CG 3.94Å; L282-M284 HydrophobicContact CD1-SD 4.25Å; L282-M284 HydrophobicContact CD2-CE 3.78Å; L282-M284 HydrophobicContact CD2-SD 4.19Å; L282-M284 HydrophobicContact CG-CE 4.18Å; L282-M284 HydrophobicContact CG-CG 4.09Å; L282-M284 HydrophobicContact CG-SD 4.32Å; L282-L300 HydrophobicContact CD2-CD1 3.93Å; L282-L300 HydrophobicContact CD2-CD2 3.86Å; L282-L303 HydrophobicContact CB-CD2 3.85Å; L282-L303 HydrophobicContact CB-CG 4.41Å; L282-L303 HydrophobicContact CD2-CD2 4.26Å; L282-T305 PolarHBondContact N-O 2.95Å; L282-T305 VanDerWaalsContact N-O 3.1Å; L282-V306 CarbonylContact O-C 3.44Å; L282-V306 WeakPolarHBondContact O-CA 3.34Å; L282-G307 PolarHBondContact O-N 3.01Å
283	L	98.7	Very high	97.2	Very high	35 Å²	35	37.1 Å²	37.1	18%	0.183	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.6	177.5	-52.5	-179.9	0	0	0	109.1	L258 D259 L260 T261 I281 T305	L258-L283 PolarHBondContact O-N 3.32Å; D259-L283 HydrophobicContact CB-CD1 4.49Å; L260-L283 CarbonylContact C-O 3.47Å; L260-L283 WeakPolarHBondContact CA-O 3.13Å; L260-L283 WeakPolarHBondContact CB-O 3.34Å; L260-L283 PolarHBondContact N-O 3.33Å; T261-L283 WeakPolarHBondContact OG1-CB 3.21Å; I281-L283 HydrophobicContact CG2-CD2 4.13Å; I281-L283 HydrophobicContact CG2-CG 4.07Å; L283-T305 HydrophobicContact CD2-CG2 4.46Å
284	M	98.4	Very high	97.2	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.212	C	C	.	.			trans	-128.8	23.8	177.2	-62.9	-173.1	-64	0	0	110.8	L260 I268 F273 L282 N287 L289 L292 G307 L308 N311	L260-M284 HydrophobicContact CB-CG 4.34Å; L260-M284 HydrophobicContact CD1-CG 4.22Å; I268-M284 HydrophobicContact CD1-SD 4.03Å; F273-M284 HydrophobicContact CZ-SD 4.04Å; L282-M284 HydrophobicContact CD1-CG 3.94Å; L282-M284 HydrophobicContact CD1-SD 4.25Å; L282-M284 HydrophobicContact CD2-CE 3.78Å; L282-M284 HydrophobicContact CD2-SD 4.19Å; L282-M284 HydrophobicContact CG-CE 4.18Å; L282-M284 HydrophobicContact CG-CG 4.09Å; L282-M284 HydrophobicContact CG-SD 4.32Å; M284-N287 PolarHBondContact O-ND2 3.43Å; M284-N287 VanDerWaalsContact O-ND2 3.11Å; M284-L289 HydrophobicContact CB-CD1 4.39Å; M284-L289 HydrophobicContact CE-CD1 4.44Å; M284-L289 HydrophobicContact SD-CD1 4.31Å; M284-L292 HydrophobicContact CE-CD1 4.27Å; M284-G307 CarbonylContact C-O 3.59Å; M284-G307 WeakPolarHBondContact CA-O 3.03Å; M284-G307 PolarHBondContact N-O 3.03Å; M284-L308 HydrophobicContact CB-CD2 4.42Å; M284-L308 HydrophobicContact CE-CD2 3.62Å; M284-N311 PolarHBondContact O-ND2 3.49Å
285	D	98.5	Very high	97.2	Very high	14 Å²	14	39.7 Å²	39.7	8%	0.075	21%	0.209	C	C	.	.			trans	-59.7	154.2	176.8	-53.2	-90.8	0	0	0	111.2	T261 G262 N287 G307 L308 S309	T261-D285 CarbonylContact C-O 3.49Å; T261-D285 VanDerWaalsContact CA-O 3.27Å; T261-D285 WeakPolarHBondContact CA-O 3.39Å; T261-D285 HydrophobicContact CG2-CB 4.01Å; G262-D285 PolarHBondContact N-O 3.4Å; D285-N287 VanDerWaalsContact C-N 3.34Å; D285-N287 PolarHBondContact O-N 2.91Å; D285-N287 PolarHBondContact O-ND2 3.01Å; D285-N287 VanDerWaalsContact O-ND2 3.08Å; D285-G307 VanDerWaalsContact CG-C 3.49Å; D285-G307 PolarHBondContact N-O 2.86Å; D285-G307 WeakPolarHBondContact OD1-CA 3.43Å; D285-G307 WeakPolarHBondContact OD2-CA 3.39Å; D285-L308 PolarHBondContact OD1-N 3.03Å; D285-L308 VanDerWaalsContact OD1-N 3.11Å; D285-S309 CarbonylContact C-O 3.52Å; D285-S309 WeakPolarHBondContact CA-O 3.47Å; D285-S309 WeakPolarHBondContact OD1-CB 3.3Å; D285-S309 PolarHBondContact OD1-N 2.79Å; D285-S309 PolarHBondContact OD1-OG 3.31Å
286	N	98.5	Very high	97.3	Very high	82 Å²	82	39.6 Å²	39.6	44%	0.439	21%	0.208	S	C	.	.	S	Bend	trans	54	46.9	175.1	-66.7	73.4	0	0	0	113.2	G262 S309 G310	G262-N286 WeakPolarHBondContact CA-O 3.5Å; G262-N286 PolarHBondContact N-O 3.02Å; N286-S309 PolarHBondContact N-O 3.36Å; N286-G310 WeakPolarHBondContact CA-O 3.17Å
287	N	98.7	Very high	97.3	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.037	21%	0.209	C	C	.	.	S	Bend	trans	-112.4	-170.4	173.7	-86.8	-82.6	0	0	0	111.2	L260 N263 I265 M284 D285 L289 N311	L260-N287 PolarHBondContact O-ND2 3.47Å; N263-N287 VanDerWaalsContact CA-OD1 3.32Å; N263-N287 WeakPolarHBondContact CA-OD1 3.47Å; N263-N287 WeakPolarHBondContact CB-OD1 3.34Å; N263-N287 PolarHBondContact N-OD1 2.81Å; N263-N287 PolarHBondContact O-OD1 2.81Å; I265-N287 HydrophobicContact CB-CB 4.3Å; I265-N287 VanDerWaalsContact CB-OD1 3.27Å; I265-N287 WeakPolarHBondContact CB-OD1 3.48Å; I265-N287 WeakPolarHBondContact CD1-OD1 3.42Å; I265-N287 WeakPolarHBondContact CG1-OD1 3.5Å; I265-N287 PolarHBondContact N-OD1 2.91Å; M284-N287 PolarHBondContact O-ND2 3.43Å; M284-N287 VanDerWaalsContact O-ND2 3.11Å; D285-N287 VanDerWaalsContact C-N 3.34Å; D285-N287 PolarHBondContact O-N 2.91Å; D285-N287 PolarHBondContact O-ND2 3.01Å; D285-N287 VanDerWaalsContact O-ND2 3.08Å; N287-L289 HydrophobicContact CB-CG 4.44Å; N287-N311 VanDerWaalsContact CA-OD1 3.28Å; N287-N311 WeakPolarHBondContact CA-OD1 3.46Å; N287-N311 WeakPolarHBondContact CB-OD1 3.24Å; N287-N311 PolarHBondContact N-OD1 2.96Å; N287-N311 PolarHBondContact O-OD1 3.46Å
288	K	98.2	Very high	97.2	Very high	94 Å²	94	42 Å²	42	41%	0.409	22%	0.218	S	C	.	.			trans	-111.7	29	179.9	-64.4	-178.9	-179.6	171.4	0	111.9	E264 I265 K266 L312	E264-K288 HydrophobicContact CB-CD 4.14Å; E264-K288 IonicContact OE2-NZ 3.95Å; E264-K288 PolarHBondContact OE2-NZ 2.95Å; I265-K288 CarbonylContact O-C 3.5Å; I265-K288 VanDerWaalsContact O-CA 3.27Å; I265-K288 WeakPolarHBondContact O-CA 3.34Å; I265-K288 PolarHBondContact O-N 3.24Å; K266-K288 HydrophobicContact CB-CB 4.48Å; K288-L312 HydrophobicContact CB-CD1 3.8Å; K288-L312 HydrophobicContact CG-CD1 4.05Å
289	L	97.7	Very high	97.1	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	21%	0.206	C	C	.	.			trans	-72.3	137.2	179.1	-64.3	169.4	0	0	0	110.1	I265 I268 M284 N287 L292 N311 L312 W313	I265-L289 HydrophobicContact CG2-CD2 3.87Å; I265-L289 PolarHBondContact O-N 3.49Å; I265-L289 VanDerWaalsContact O-N 3.11Å; I268-L289 HydrophobicContact CD1-CD1 4.45Å; I268-L289 HydrophobicContact CD1-CD2 3.95Å; I268-L289 HydrophobicContact CG1-CD2 4.17Å; M284-L289 HydrophobicContact CB-CD1 4.39Å; M284-L289 HydrophobicContact CE-CD1 4.44Å; M284-L289 HydrophobicContact SD-CD1 4.31Å; N287-L289 HydrophobicContact CB-CG 4.44Å; L289-L292 HydrophobicContact CD1-CD2 4.43Å; L289-N311 HydrophobicContact CB-CB 4.32Å; L289-N311 VanDerWaalsContact CB-OD1 3.29Å; L289-N311 WeakPolarHBondContact CB-OD1 3.48Å; L289-N311 PolarHBondContact N-OD1 2.98Å; L289-L312 CarbonylContact O-C 3.44Å; L289-L312 VanDerWaalsContact O-CA 3.3Å; L289-L312 WeakPolarHBondContact O-CA 3.44Å; L289-L312 PolarHBondContact O-N 2.88Å; L289-W313 HydrophobicContact CB-CH2 3.78Å; L289-W313 HydrophobicContact CB-CZ2 4.39Å; L289-W313 HydrophobicContact CB-CZ3 3.91Å; L289-W313 HydrophobicContact CD1-CH2 3.98Å; L289-W313 PolarHBondContact O-N 3.46Å
290	N	96.7	Very high	96.9	Very high	49 Å²	49	39.8 Å²	39.8	26%	0.262	21%	0.208	S	C	.	.			trans	-108.2	-33.2	176.9	160.6	-62.4	0	0	0	112.2	L312 E314 R318	N290-L312 WeakPolarHBondContact CA-O 3.41Å; N290-E314 WeakPolarHBondContact ND2-CB 3.31Å; N290-E314 PolarHBondContact ND2-OE2 3.05Å; N290-E314 PolarHBondContact O-N 2.74Å; N290-E314 PolarHBondContact OD1-OE2 3.44Å; N290-R318 PolarHBondContact OD1-NH1 2.86Å
291	S	96	Very high	96.5	Very high	36 Å²	36	46.2 Å²	46.2	25%	0.252	23%	0.23	S	C	.	.			trans	-152.1	162.3	176.6	66.3	0	0	0	0	110.3	R318	S291-R318 PolarHBondContact OG-NH2 3.29Å
292	L	96.6	Very high	96.4	Very high	9 Å²	9	46.3 Å²	46.3	5%	0.047	24%	0.235	C	C	.	.			trans	-124.7	136	169.1	-74.2	175.3	0	0	0	110.4	I268 M284 L289 I296 L297 L308 W313 L322	I268-L292 HydrophobicContact CD1-CD2 4.02Å; M284-L292 HydrophobicContact CE-CD1 4.27Å; L289-L292 HydrophobicContact CD1-CD2 4.43Å; L292-I296 HydrophobicContact CD2-CG2 4.49Å; L292-L297 HydrophobicContact CB-CD1 4.36Å; L292-L297 HydrophobicContact CB-CD2 4.24Å; L292-L297 HydrophobicContact CB-CG 4.28Å; L292-L297 HydrophobicContact CD1-CD2 4.11Å; L292-L308 HydrophobicContact CD1-CD2 4.27Å; L292-W313 HydrophobicContact CD1-CH2 3.83Å; L292-W313 HydrophobicContact CD1-CZ3 4.36Å; L292-W313 HydrophobicContact CG-CH2 3.9Å; L292-W313 HydrophobicContact CG-CZ3 4Å; L292-L322 HydrophobicContact CD1-CD1 4.25Å
293	D	95.7	Very high	96.3	Very high	75 Å²	75	47 Å²	47	40%	0.401	24%	0.239	S	C	.	.			trans	-73.6	147.6	179.8	-166.6	-81.8	0	0	0	111.5	L270 K295 I296 L297	L270-D293 HydrophobicContact CD2-CB 3.55Å; L270-D293 VanDerWaalsContact CD2-CG 3.5Å; D293-K295 PolarHBondContact O-N 3.33Å; D293-K295 VanDerWaalsContact OD1-CB 3.31Å; D293-K295 WeakPolarHBondContact OD1-CB 3.25Å; D293-K295 PolarHBondContact OD1-N 2.88Å; D293-I296 HydrophobicContact CB-CD1 4.31Å; D293-I296 HydrophobicContact CB-CG1 4.49Å; D293-I296 WeakPolarHBondContact O-CB 3.35Å; D293-I296 PolarHBondContact O-N 3.18Å; D293-I296 VanDerWaalsContact O-N 3.15Å; D293-L297 WeakPolarHBondContact O-CG 2.71Å; D293-L297 PolarHBondContact O-N 3.05Å
294	S	94.7	Very high	96.3	Very high	61 Å²	61	48.7 Å²	48.7	43%	0.427	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-32.7	178.5	62.1	0	0	0	0	112.4	L297 N298	S294-L297 PolarHBondContact O-N 3.08Å; S294-N298 VanDerWaalsContact O-CB 3.3Å; S294-N298 WeakPolarHBondContact O-CB 3.22Å; S294-N298 PolarHBondContact O-N 2.97Å; S294-N298 PolarHBondContact O-ND2 3.37Å; S294-N298 VanDerWaalsContact O-ND2 3.17Å
295	K	94.8	Very high	96.3	Very high	91 Å²	91	49.1 Å²	49.1	40%	0.396	25%	0.253	S	S	.	.	H	α-helix	trans	-64.3	-40.4	176.5	-176	167.3	174.8	179.1	0	112	L270 E274 D293 S299	L270-K295 HydrophobicContact CB-CD 4.08Å; L270-K295 HydrophobicContact CB-CG 4.47Å; L270-K295 HydrophobicContact CD2-CB 4.39Å; E274-K295 WeakPolarHBondContact OE1-CE 3.48Å; E274-K295 IonicContact OE1-NZ 2.73Å; D293-K295 PolarHBondContact O-N 3.33Å; D293-K295 VanDerWaalsContact OD1-CB 3.31Å; D293-K295 WeakPolarHBondContact OD1-CB 3.25Å; D293-K295 PolarHBondContact OD1-N 2.88Å; K295-S299 PolarHBondContact O-N 2.83Å
296	I	96	Very high	96.3	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-51.6	174.3	-70.8	169.1	0	0	0	109.6	I268 L270 F273 L292 D293 N298 S299 L300	I268-I296 HydrophobicContact CB-CD1 3.95Å; I268-I296 HydrophobicContact CG2-CD1 3.93Å; L270-I296 HydrophobicContact CD2-CD1 4.35Å; L270-I296 HydrophobicContact CD2-CG1 4.28Å; F273-I296 HydrophobicContact CD2-CG2 3.71Å; F273-I296 HydrophobicContact CE2-CG2 4.05Å; L292-I296 HydrophobicContact CD2-CG2 4.49Å; D293-I296 HydrophobicContact CB-CD1 4.31Å; D293-I296 HydrophobicContact CB-CG1 4.49Å; D293-I296 WeakPolarHBondContact O-CB 3.35Å; D293-I296 PolarHBondContact O-N 3.18Å; D293-I296 VanDerWaalsContact O-N 3.15Å; I296-N298 VanDerWaalsContact C-N 3.31Å; I296-N298 PolarHBondContact O-N 2.96Å; I296-S299 PolarHBondContact O-N 3.13Å; I296-S299 VanDerWaalsContact O-N 3.14Å; I296-S299 PolarHBondContact O-OG 2.85Å; I296-L300 HydrophobicContact CG2-CD1 4.4Å
297	L	96.1	Very high	96.2	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-37.8	-176.6	-63.9	167.7	0	0	0	112.6	L292 D293 S294 S299 L300 A321 L322 W325	L292-L297 HydrophobicContact CB-CD1 4.36Å; L292-L297 HydrophobicContact CB-CD2 4.24Å; L292-L297 HydrophobicContact CB-CG 4.28Å; L292-L297 HydrophobicContact CD1-CD2 4.11Å; D293-L297 WeakPolarHBondContact O-CG 2.71Å; D293-L297 PolarHBondContact O-N 3.05Å; S294-L297 PolarHBondContact O-N 3.08Å; L297-S299 VanDerWaalsContact C-N 3.26Å; L297-S299 PolarHBondContact O-N 3.14Å; L297-L300 PolarHBondContact O-N 3.33Å; L297-A321 HydrophobicContact CD1-CB 4.1Å; L297-L322 HydrophobicContact CD1-CB 4.29Å; L297-L322 HydrophobicContact CD1-CD1 4.48Å; L297-L322 HydrophobicContact CD2-CD1 3.91Å; L297-W325 HydrophobicContact CB-CB 4.32Å; L297-W325 HydrophobicContact CB-CG 3.99Å; L297-W325 HydrophobicContact CD1-CB 4.07Å; L297-W325 HydrophobicContact CD1-CG 4.49Å; L297-W325 HydrophobicContact CD2-CB 4.33Å; L297-W325 HydrophobicContact CD2-CD2 3.98Å; L297-W325 HydrophobicContact CD2-CE3 4.28Å; L297-W325 HydrophobicContact CD2-CG 4Å; L297-W325 HydrophobicContact CG-CB 4.47Å; L297-W325 HydrophobicContact CG-CG 4.38Å; L297-W325 PolarHBondContact O-NE1 2.86Å
298	N	94.8	Very high	96.2	Very high	101 Å²	101	44.6 Å²	44.6	54%	0.54	23%	0.23	S	C	.	.	H	α-helix	trans	-69.3	-20	178.8	-73.4	-22.4	0	0	0	114.2	S294 I296 R301	S294-N298 VanDerWaalsContact O-CB 3.3Å; S294-N298 WeakPolarHBondContact O-CB 3.22Å; S294-N298 PolarHBondContact O-N 2.97Å; S294-N298 PolarHBondContact O-ND2 3.37Å; S294-N298 VanDerWaalsContact O-ND2 3.17Å; I296-N298 VanDerWaalsContact C-N 3.31Å; I296-N298 PolarHBondContact O-N 2.96Å; N298-R301 VanDerWaalsContact O-CG 3.31Å; N298-R301 WeakPolarHBondContact O-CG 3.24Å; N298-R301 PolarHBondContact O-NE 3.21Å
299	S	94.6	Very high	96.2	Very high	22 Å²	22	40.7 Å²	40.7	15%	0.154	22%	0.215	C	C	.	.	H	α-helix	trans	-80.5	-22.6	175.3	73.1	0	0	0	0	112.7	F273 K295 I296 L297 R301	F273-S299 VanDerWaalsContact CB-OG 3.26Å; F273-S299 WeakPolarHBondContact CB-OG 3.43Å; K295-S299 PolarHBondContact O-N 2.83Å; I296-S299 PolarHBondContact O-N 3.13Å; I296-S299 VanDerWaalsContact O-N 3.14Å; I296-S299 PolarHBondContact O-OG 2.85Å; L297-S299 VanDerWaalsContact C-N 3.26Å; L297-S299 PolarHBondContact O-N 3.14Å; S299-R301 VanDerWaalsContact C-N 3.26Å; S299-R301 PolarHBondContact O-N 2.83Å
300	L	94.9	Very high	96.2	Very high	11 Å²	11	43 Å²	43	6%	0.058	24%	0.239	C	C	.	.			trans	-84.3	51	-174.5	-66.6	176.5	0	0	0	113.1	F273 L279 L282 I296 L297 L303 W325	F273-L300 HydrophobicContact CB-CD2 3.76Å; F273-L300 HydrophobicContact CB-CG 4.4Å; F273-L300 HydrophobicContact CD1-CD2 3.87Å; F273-L300 HydrophobicContact CD2-CD2 4.36Å; F273-L300 HydrophobicContact CG-CD2 3.75Å; L279-L300 HydrophobicContact CD2-CD2 4.31Å; L282-L300 HydrophobicContact CD2-CD1 3.93Å; L282-L300 HydrophobicContact CD2-CD2 3.86Å; I296-L300 HydrophobicContact CG2-CD1 4.4Å; L297-L300 PolarHBondContact O-N 3.33Å; L300-L303 HydrophobicContact CB-CD1 3.85Å; L300-L303 HydrophobicContact CB-CD2 4.09Å; L300-L303 HydrophobicContact CD1-CD2 4.23Å; L300-L303 HydrophobicContact CD2-CD1 3.7Å; L300-L303 HydrophobicContact CD2-CD2 4.25Å; L300-L303 HydrophobicContact CG-CD1 4.33Å; L300-L303 HydrophobicContact CG-CD2 4.43Å; L300-W325 HydrophobicContact CB-CZ2 4.39Å
301	R	90.4	Very high	96.3	Very high	219 Å²	219	41 Å²	41	83%	0.826	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-27.5	-169.6	-60	-174.4	-178.9	-162.8	0.1	115.3	N298 S299	N298-R301 VanDerWaalsContact O-CG 3.31Å; N298-R301 WeakPolarHBondContact O-CG 3.24Å; N298-R301 PolarHBondContact O-NE 3.21Å; S299-R301 VanDerWaalsContact C-N 3.26Å; S299-R301 PolarHBondContact O-N 2.83Å
302	S	95.4	Very high	96.4	Very high	51 Å²	51	42.3 Å²	42.3	36%	0.357	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	3.9	-174	-56.9	0	0	0	0	113.4	P277 L279	P277-S302 WeakPolarHBondContact O-CB 3.39Å; P277-S302 PolarHBondContact O-OG 2.79Å; L279-S302 CarbonylContact O-C 3.55Å; L279-S302 WeakPolarHBondContact O-CB 3.4Å
303	L	97.3	Very high	96.5	Very high	14 Å²	14	41.9 Å²	41.9	7%	0.073	23%	0.23	C	C	.	.			trans	-67.5	138.6	-175.1	-95.3	66.8	0	0	0	111.6	L279 L282 L300 V306 W325 F329	L279-L303 HydrophobicContact CB-CD1 4.18Å; L279-L303 HydrophobicContact CD2-CD1 4.3Å; L279-L303 HydrophobicContact CG-CD1 4.24Å; L279-L303 WeakPolarHBondContact O-CD1 3.2Å; L279-L303 PolarHBondContact O-N 2.98Å; L282-L303 HydrophobicContact CB-CD2 3.85Å; L282-L303 HydrophobicContact CB-CG 4.41Å; L282-L303 HydrophobicContact CD2-CD2 4.26Å; L300-L303 HydrophobicContact CB-CD1 3.85Å; L300-L303 HydrophobicContact CB-CD2 4.09Å; L300-L303 HydrophobicContact CD1-CD2 4.23Å; L300-L303 HydrophobicContact CD2-CD1 3.7Å; L300-L303 HydrophobicContact CD2-CD2 4.25Å; L300-L303 HydrophobicContact CG-CD1 4.33Å; L300-L303 HydrophobicContact CG-CD2 4.43Å; L303-V306 HydrophobicContact CD2-CB 4.36Å; L303-V306 HydrophobicContact CD2-CG2 4.16Å; L303-W325 HydrophobicContact CD2-CH2 4.32Å; L303-W325 HydrophobicContact CD2-CZ2 4.39Å; L303-F329 HydrophobicContact CB-CE2 3.7Å; L303-F329 HydrophobicContact CB-CZ 3.97Å; L303-F329 WeakPolarHBondContact O-CE2 2.98Å
304	T	97.8	Very high	96.6	Very high	70 Å²	70	40.5 Å²	40.5	43%	0.429	22%	0.221	S	C	.	.	S	Bend	trans	-120.5	-29	176	63.4	0	0	0	0	111.6	K280 G331 R332	K280-T304 PolarHBondContact O-N 3.01Å; K280-T304 PolarHBondContact O-OG1 2.88Å; T304-G331 CarbonylContact O-C 3.14Å; T304-G331 WeakPolarHBondContact O-CA 3.4Å; T304-R332 PolarHBondContact O-N 3.13Å
305	T	98.4	Very high	96.7	Very high	11 Å²	11	37.7 Å²	37.7	7%	0.067	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	128.8	175.4	-57.4	0	0	0	0	109.3	K280 I281 L282 L283 R332	K280-T305 PolarHBondContact O-N 2.94Å; K280-T305 VanDerWaalsContact O-N 3.09Å; I281-T305 WeakPolarHBondContact CA-O 3.32Å; I281-T305 HydrophobicContact CG2-CG2 4.45Å; L282-T305 PolarHBondContact N-O 2.95Å; L282-T305 VanDerWaalsContact N-O 3.1Å; L283-T305 HydrophobicContact CD2-CG2 4.46Å; T305-R332 VanDerWaalsContact CA-O 3.29Å; T305-R332 WeakPolarHBondContact CA-O 3.46Å; T305-R332 HydrophobicContact CG2-CG 4.21Å; T305-R332 PolarHBondContact OG1-NE 2.64Å
306	V	98.2	Very high	96.8	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.5	177.7	73.6	0	0	0	0	110	L282 L303 L308 W325 F329 R332 W333	L282-V306 CarbonylContact O-C 3.44Å; L282-V306 WeakPolarHBondContact O-CA 3.34Å; L303-V306 HydrophobicContact CD2-CB 4.36Å; L303-V306 HydrophobicContact CD2-CG2 4.16Å; V306-L308 HydrophobicContact CG2-CD1 4.06Å; V306-L308 HydrophobicContact CG2-CD2 4.36Å; V306-L308 HydrophobicContact CG2-CG 3.93Å; V306-W325 HydrophobicContact CB-CH2 4.22Å; V306-W325 HydrophobicContact CG1-CH2 4.21Å; V306-W325 HydrophobicContact CG1-CZ3 4.16Å; V306-W325 HydrophobicContact CG2-CH2 4.08Å; V306-W325 HydrophobicContact CG2-CZ3 4.34Å; V306-F329 HydrophobicContact CB-CE1 4.13Å; V306-F329 HydrophobicContact CB-CZ 4.24Å; V306-F329 HydrophobicContact CG1-CD1 4.11Å; V306-F329 HydrophobicContact CG1-CE1 3.6Å; V306-F329 HydrophobicContact CG1-CZ 4.2Å; V306-R332 PolarHBondContact N-O 3.03Å; V306-W333 HydrophobicContact CG1-CB 4.07Å; V306-W333 HydrophobicContact CG1-CE3 4.17Å; V306-W333 VanDerWaalsContact O-CA 3.23Å; V306-W333 WeakPolarHBondContact O-CA 3.03Å; V306-W333 WeakPolarHBondContact O-CB 3.41Å
307	G	98.4	Very high	96.7	Very high	3 Å²	3	38 Å²	38	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.1	175.8	0	0	0	0	0	110.5	L282 M284 D285	L282-G307 PolarHBondContact O-N 3.01Å; M284-G307 CarbonylContact C-O 3.59Å; M284-G307 WeakPolarHBondContact CA-O 3.03Å; M284-G307 PolarHBondContact N-O 3.03Å; D285-G307 VanDerWaalsContact CG-C 3.49Å; D285-G307 PolarHBondContact N-O 2.86Å; D285-G307 WeakPolarHBondContact OD1-CA 3.43Å; D285-G307 WeakPolarHBondContact OD2-CA 3.39Å
308	L	98.3	Very high	96.6	Very high	3 Å²	3	44 Å²	44	2%	0.016	24%	0.243	C	C	.	.			trans	-136.4	4.5	-173.6	-65.7	174	0	0	0	112.6	M284 D285 L292 V306 N311 W313 L322 L326 I337	M284-L308 HydrophobicContact CB-CD2 4.42Å; M284-L308 HydrophobicContact CE-CD2 3.62Å; D285-L308 PolarHBondContact OD1-N 3.03Å; D285-L308 VanDerWaalsContact OD1-N 3.11Å; L292-L308 HydrophobicContact CD1-CD2 4.27Å; V306-L308 HydrophobicContact CG2-CD1 4.06Å; V306-L308 HydrophobicContact CG2-CD2 4.36Å; V306-L308 HydrophobicContact CG2-CG 3.93Å; L308-N311 PolarHBondContact O-ND2 2.77Å; L308-N311 VanDerWaalsContact O-ND2 3.14Å; L308-W313 HydrophobicContact CB-CZ2 3.94Å; L308-W313 HydrophobicContact CD2-CH2 4.27Å; L308-W313 HydrophobicContact CD2-CZ2 3.93Å; L308-W313 HydrophobicContact CG-CZ2 4.38Å; L308-W313 PolarHBondContact O-NE1 3.05Å; L308-L322 HydrophobicContact CD1-CD1 4.01Å; L308-L326 HydrophobicContact CD1-CD2 4.25Å; L308-I337 HydrophobicContact CB-CD1 3.88Å; L308-I337 HydrophobicContact CB-CG1 4.08Å; L308-I337 HydrophobicContact CB-CG2 4Å; L308-I337 HydrophobicContact CD1-CD1 4.05Å; L308-I337 HydrophobicContact CG-CD1 4.48Å
309	S	98	Very high	96.7	Very high	12 Å²	12	39.2 Å²	39.2	8%	0.084	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	159.2	-175.8	68.8	0	0	0	0	111.9	D285 N286 N311 H335 S336	D285-S309 CarbonylContact C-O 3.52Å; D285-S309 WeakPolarHBondContact CA-O 3.47Å; D285-S309 WeakPolarHBondContact OD1-CB 3.3Å; D285-S309 PolarHBondContact OD1-N 2.79Å; D285-S309 PolarHBondContact OD1-OG 3.31Å; N286-S309 PolarHBondContact N-O 3.36Å; S309-N311 VanDerWaalsContact C-N 3.26Å; S309-N311 PolarHBondContact O-N 3.07Å; S309-N311 PolarHBondContact O-ND2 2.86Å; S309-H335 WeakPolarHBondContact OG-CB 3.37Å; S309-S336 VanDerWaalsContact CB-O 3.26Å; S309-S336 WeakPolarHBondContact CB-O 3.49Å
310	G	97.5	Very high	96.8	Very high	51 Å²	51	39.6 Å²	39.6	53%	0.526	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	23.7	174.1	0	0	0	0	0	115.8	N286	N286-G310 WeakPolarHBondContact CA-O 3.17Å
311	N	98.4	Very high	96.8	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.048	23%	0.231	C	C	.	.	S	Bend	trans	-93.5	175.7	171.2	-83.4	-80.1	0	0	0	111.6	M284 N287 L289 L308 S309 W313	M284-N311 PolarHBondContact O-ND2 3.49Å; N287-N311 VanDerWaalsContact CA-OD1 3.28Å; N287-N311 WeakPolarHBondContact CA-OD1 3.46Å; N287-N311 WeakPolarHBondContact CB-OD1 3.24Å; N287-N311 PolarHBondContact N-OD1 2.96Å; N287-N311 PolarHBondContact O-OD1 3.46Å; L289-N311 HydrophobicContact CB-CB 4.32Å; L289-N311 VanDerWaalsContact CB-OD1 3.29Å; L289-N311 WeakPolarHBondContact CB-OD1 3.48Å; L289-N311 PolarHBondContact N-OD1 2.98Å; L308-N311 PolarHBondContact O-ND2 2.77Å; L308-N311 VanDerWaalsContact O-ND2 3.14Å; S309-N311 VanDerWaalsContact C-N 3.26Å; S309-N311 PolarHBondContact O-N 3.07Å; S309-N311 PolarHBondContact O-ND2 2.86Å; N311-W313 VanDerWaalsContact C-N 3.31Å; N311-W313 HydrophobicContact CB-CD2 4.04Å; N311-W313 VanDerWaalsContact CB-CE2 3.49Å; N311-W313 HydrophobicContact CB-CG 4.25Å; N311-W313 HydrophobicContact CB-CZ2 3.79Å; N311-W313 PolarHBondContact O-N 2.84Å
312	L	98	Very high	97.2	Very high	63 Å²	63	30.4 Å²	30.4	33%	0.33	19%	0.191	S	C	.	.			trans	-95.1	43.4	-178.5	-62.8	165.8	0	0	0	111.5	K288 L289 N290 E314 H340	K288-L312 HydrophobicContact CB-CD1 3.8Å; K288-L312 HydrophobicContact CG-CD1 4.05Å; L289-L312 CarbonylContact O-C 3.44Å; L289-L312 VanDerWaalsContact O-CA 3.3Å; L289-L312 WeakPolarHBondContact O-CA 3.44Å; L289-L312 PolarHBondContact O-N 2.88Å; N290-L312 WeakPolarHBondContact CA-O 3.41Å; L312-E314 PolarHBondContact O-N 2.73Å; L312-H340 VanDerWaalsContact CD2-CD2 3.46Å; L312-H340 WeakPolarHBondContact CD2-CD2 3.48Å; L312-H340 VanDerWaalsContact CD2-NE2 3.32Å; L312-H340 WeakPolarHBondContact CD2-NE2 3.31Å
313	W	98.2	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.174	C	C	.	.			trans	-56.3	126.5	-172.7	-61.7	121.4	0	0	0	112.5	L289 L292 L308 N311 I319 L322 H340 S341 I350	L289-W313 HydrophobicContact CB-CH2 3.78Å; L289-W313 HydrophobicContact CB-CZ2 4.39Å; L289-W313 HydrophobicContact CB-CZ3 3.91Å; L289-W313 HydrophobicContact CD1-CH2 3.98Å; L289-W313 PolarHBondContact O-N 3.46Å; L292-W313 HydrophobicContact CD1-CH2 3.83Å; L292-W313 HydrophobicContact CD1-CZ3 4.36Å; L292-W313 HydrophobicContact CG-CH2 3.9Å; L292-W313 HydrophobicContact CG-CZ3 4Å; L308-W313 HydrophobicContact CB-CZ2 3.94Å; L308-W313 HydrophobicContact CD2-CH2 4.27Å; L308-W313 HydrophobicContact CD2-CZ2 3.93Å; L308-W313 HydrophobicContact CG-CZ2 4.38Å; L308-W313 PolarHBondContact O-NE1 3.05Å; N311-W313 VanDerWaalsContact C-N 3.31Å; N311-W313 HydrophobicContact CB-CD2 4.04Å; N311-W313 VanDerWaalsContact CB-CE2 3.49Å; N311-W313 HydrophobicContact CB-CG 4.25Å; N311-W313 HydrophobicContact CB-CZ2 3.79Å; N311-W313 PolarHBondContact O-N 2.84Å; W313-I319 HydrophobicContact CB-CD1 4.3Å; W313-I319 HydrophobicContact CE3-CD1 4.04Å; W313-L322 HydrophobicContact CD2-CD2 4.15Å; W313-L322 HydrophobicContact CE3-CD2 3.82Å; W313-L322 HydrophobicContact CH2-CD2 3.94Å; W313-L322 HydrophobicContact CZ2-CD2 4.23Å; W313-L322 HydrophobicContact CZ3-CD2 3.7Å; W313-H340 WeakPolarHBondContact O-CB 3.4Å; W313-H340 PolarHBondContact O-N 2.98Å; W313-S341 PolarHBondContact O-N 3.12Å; W313-S341 VanDerWaalsContact O-N 3.16Å; W313-I350 HydrophobicContact CB-CD1 4.09Å; W313-I350 HydrophobicContact CD2-CD1 4.27Å; W313-I350 HydrophobicContact CG-CD1 3.83Å
314	E	98	Very high	97.2	Very high	46 Å²	46	30.5 Å²	30.5	22%	0.215	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-96.6	102.7	175.2	-175.9	-164.8	143.1	0	0	109.7	N290 L312 S316 R318 S341	N290-E314 WeakPolarHBondContact ND2-CB 3.31Å; N290-E314 PolarHBondContact ND2-OE2 3.05Å; N290-E314 PolarHBondContact O-N 2.74Å; N290-E314 PolarHBondContact OD1-OE2 3.44Å; L312-E314 PolarHBondContact O-N 2.73Å; E314-S316 PolarHBondContact O-N 3.21Å; E314-S316 WeakPolarHBondContact OE1-CB 3.19Å; E314-S316 PolarHBondContact OE1-OG 2.89Å; E314-R318 IonicContact OE2-CZ 3.67Å; E314-R318 IonicContact OE2-NH1 2.85Å; E314-R318 PolarHBondContact OE2-NH1 2.79Å; E314-S341 CarbonylContact C-O 3.52Å; E314-S341 WeakPolarHBondContact CA-O 3.47Å
315	C	97.3	Very high	97.1	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.007	18%	0.178	C	C	.	.			trans	-79.5	60.7	177.8	-67.9	0	0	0	0	111.2	C339 S341 T345 L359	C315-C339 HydrophobicContact CB-CB 3.78Å; C315-C339 WeakPolarHBondContact CB-SG 3.47Å; C315-C339 VanDerWaalsContact SG-CA 3.55Å; C315-C339 WeakPolarHBondContact SG-CB 3.43Å; C315-C339 CovalentContact SG-SG 2.02Å; C315-C339 PolarHBondContact SG-SG 3.18Å; C315-S341 PolarHBondContact N-O 3.47Å; C315-T345 HydrophobicContact CB-CG2 4.24Å; C315-L359 HydrophobicContact CB-CD1 4.14Å; C315-L359 WeakPolarHBondContact O-CD1 3.32Å
316	S	96	Very high	97	Very high	31 Å²	31	28.2 Å²	28.2	22%	0.217	18%	0.176	C	C	.	.	S	Bend	trans	-107	-170.8	164.6	72.1	0	0	0	0	109.5	E314 R318 I319	E314-S316 PolarHBondContact O-N 3.21Å; E314-S316 WeakPolarHBondContact OE1-CB 3.19Å; E314-S316 PolarHBondContact OE1-OG 2.89Å; S316-R318 PolarHBondContact O-N 2.86Å; S316-R318 PolarHBondContact OG-N 2.54Å; S316-I319 WeakPolarHBondContact O-CG2 3.48Å; S316-I319 PolarHBondContact O-N 2.6Å
317	A	94.9	Very high	96.8	Very high	73 Å²	73	30.8 Å²	30.8	60%	0.603	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-54.9	-19.3	173.7	0	0	0	0	0	113.6	I319 C320	A317-I319 VanDerWaalsContact C-N 3.27Å; A317-I319 PolarHBondContact O-N 2.03Å; A317-C320 PolarHBondContact O-N 3.09Å; A317-C320 PolarHBondContact O-SG 2.81Å
318	R	94.6	Very high	96.7	Very high	131 Å²	131	34.3 Å²	34.3	49%	0.494	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-67.5	-23.3	177.1	-62.1	179.6	67.2	-148.2	-5.8	113.4	N290 S291 E314 S316 C320	N290-R318 PolarHBondContact OD1-NH1 2.86Å; S291-R318 PolarHBondContact OG-NH2 3.29Å; E314-R318 IonicContact OE2-CZ 3.67Å; E314-R318 IonicContact OE2-NH1 2.85Å; E314-R318 PolarHBondContact OE2-NH1 2.79Å; S316-R318 PolarHBondContact O-N 2.86Å; S316-R318 PolarHBondContact OG-N 2.54Å; R318-C320 VanDerWaalsContact C-N 3.31Å
319	I	96.2	Very high	96.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-79.5	-13.8	-178.5	-148.9	65.1	0	0	0	112.9	W313 S316 A317 A321 L322 A323 I350 V354	W313-I319 HydrophobicContact CB-CD1 4.3Å; W313-I319 HydrophobicContact CE3-CD1 4.04Å; S316-I319 WeakPolarHBondContact O-CG2 3.48Å; S316-I319 PolarHBondContact O-N 2.6Å; A317-I319 VanDerWaalsContact C-N 3.27Å; A317-I319 PolarHBondContact O-N 2.03Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 3.05Å; I319-A321 VanDerWaalsContact O-N 3.16Å; I319-L322 HydrophobicContact CD1-CB 4.43Å; I319-L322 HydrophobicContact CD1-CD2 3.94Å; I319-L322 WeakPolarHBondContact O-CA 3.32Å; I319-L322 WeakPolarHBondContact O-CB 3.33Å; I319-L322 PolarHBondContact O-N 3.46Å; I319-A323 PolarHBondContact O-N 3.47Å; I319-I350 HydrophobicContact CD1-CD1 4.12Å; I319-I350 HydrophobicContact CG1-CD1 4.13Å; I319-I350 HydrophobicContact CG1-CG1 4.46Å; I319-I350 HydrophobicContact CG1-CG2 3.88Å; I319-V354 HydrophobicContact CG2-CG2 3.65Å
320	C	96.7	Very high	96.4	Very high	29 Å²	29	44.4 Å²	44.4	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-58	-35.5	-169.5	-66.1	0	0	0	0	114.3	A317 R318 S324 C360	A317-C320 PolarHBondContact O-N 3.09Å; A317-C320 PolarHBondContact O-SG 2.81Å; R318-C320 VanDerWaalsContact C-N 3.31Å; C320-S324 VanDerWaalsContact O-CB 3.31Å; C320-S324 WeakPolarHBondContact O-CB 3.4Å; C320-S324 PolarHBondContact O-N 3.44Å; C320-C360 WeakPolarHBondContact CA-SG 3.45Å; C320-C360 HydrophobicContact CB-CB 3.87Å; C320-C360 WeakPolarHBondContact CB-SG 3.26Å; C320-C360 WeakPolarHBondContact SG-CA 3.37Å; C320-C360 WeakPolarHBondContact SG-CB 3.44Å; C320-C360 CovalentContact SG-SG 2.03Å; C320-C360 PolarHBondContact SG-SG 3.36Å
321	A	95.7	Very high	96.3	Very high	37 Å²	37	43.3 Å²	43.3	31%	0.306	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-45.5	175.4	0	0	0	0	0	111.6	L297 I319 W325	L297-A321 HydrophobicContact CD1-CB 4.1Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 3.05Å; I319-A321 VanDerWaalsContact O-N 3.16Å; A321-W325 WeakPolarHBondContact O-CB 3.33Å; A321-W325 PolarHBondContact O-N 3.37Å
322	L	97	Very high	96.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-44.1	177.2	178.8	59.6	0	0	0	111.5	L292 L297 L308 W313 I319 S324 W325 L326 I350	L292-L322 HydrophobicContact CD1-CD1 4.25Å; L297-L322 HydrophobicContact CD1-CB 4.29Å; L297-L322 HydrophobicContact CD1-CD1 4.48Å; L297-L322 HydrophobicContact CD2-CD1 3.91Å; L308-L322 HydrophobicContact CD1-CD1 4.01Å; W313-L322 HydrophobicContact CD2-CD2 4.15Å; W313-L322 HydrophobicContact CE3-CD2 3.82Å; W313-L322 HydrophobicContact CH2-CD2 3.94Å; W313-L322 HydrophobicContact CZ2-CD2 4.23Å; W313-L322 HydrophobicContact CZ3-CD2 3.7Å; I319-L322 HydrophobicContact CD1-CB 4.43Å; I319-L322 HydrophobicContact CD1-CD2 3.94Å; I319-L322 WeakPolarHBondContact O-CA 3.32Å; I319-L322 WeakPolarHBondContact O-CB 3.33Å; I319-L322 PolarHBondContact O-N 3.46Å; L322-S324 PolarHBondContact O-N 2.72Å; L322-W325 HydrophobicContact CD1-CE3 4.39Å; L322-W325 PolarHBondContact O-N 3.49Å; L322-L326 HydrophobicContact CD1-CD1 4.21Å; L322-L326 HydrophobicContact CD1-CG 4.1Å; L322-L326 HydrophobicContact CG-CD1 3.98Å; L322-L326 HydrophobicContact CG-CG 4.33Å; L322-L326 WeakPolarHBondContact O-CB 3.31Å; L322-L326 WeakPolarHBondContact O-CG 3.45Å; L322-L326 PolarHBondContact O-N 3.44Å; L322-I350 HydrophobicContact CD2-CD1 4.04Å
323	A	96.9	Very high	96.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.7	-44.1	178.3	0	0	0	0	0	112.2	I319 W325 L326 G327 I350 L351 V354 L363	I319-A323 PolarHBondContact O-N 3.47Å; A323-W325 VanDerWaalsContact C-N 3.32Å; A323-W325 PolarHBondContact O-N 3.01Å; A323-L326 PolarHBondContact O-N 3.29Å; A323-G327 PolarHBondContact O-N 2.95Å; A323-I350 HydrophobicContact CB-CG2 4.02Å; A323-L351 HydrophobicContact CB-CD2 4.34Å; A323-L351 WeakPolarHBondContact O-CD2 3.48Å; A323-V354 HydrophobicContact CB-CB 4.44Å; A323-V354 HydrophobicContact CB-CG1 4.43Å; A323-V354 HydrophobicContact CB-CG2 3.77Å; A323-L363 HydrophobicContact CB-CD2 4.41Å
324	S	95.7	Very high	95.9	Very high	67 Å²	67	58.4 Å²	58.4	47%	0.469	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-41.7	173.9	-174.1	0	0	0	0	111.9	C320 L322 S328	C320-S324 VanDerWaalsContact O-CB 3.31Å; C320-S324 WeakPolarHBondContact O-CB 3.4Å; C320-S324 PolarHBondContact O-N 3.44Å; L322-S324 PolarHBondContact O-N 2.72Å; S324-S328 PolarHBondContact O-N 3.14Å; S324-S328 PolarHBondContact O-OG 2.92Å
325	W	96.4	Very high	95.9	Very high	27 Å²	27	61.4 Å²	61.4	10%	0.102	33%	0.334	C	S	.	.	H	α-helix	trans	-65.5	-47.1	178.1	-176.6	88.7	0	0	0	111.3	L297 L300 L303 V306 A321 L322 A323 G327 S328 F329	L297-W325 HydrophobicContact CB-CB 4.32Å; L297-W325 HydrophobicContact CB-CG 3.99Å; L297-W325 HydrophobicContact CD1-CB 4.07Å; L297-W325 HydrophobicContact CD1-CG 4.49Å; L297-W325 HydrophobicContact CD2-CB 4.33Å; L297-W325 HydrophobicContact CD2-CD2 3.98Å; L297-W325 HydrophobicContact CD2-CE3 4.28Å; L297-W325 HydrophobicContact CD2-CG 4Å; L297-W325 HydrophobicContact CG-CB 4.47Å; L297-W325 HydrophobicContact CG-CG 4.38Å; L297-W325 PolarHBondContact O-NE1 2.86Å; L300-W325 HydrophobicContact CB-CZ2 4.39Å; L303-W325 HydrophobicContact CD2-CH2 4.32Å; L303-W325 HydrophobicContact CD2-CZ2 4.39Å; V306-W325 HydrophobicContact CB-CH2 4.22Å; V306-W325 HydrophobicContact CG1-CH2 4.21Å; V306-W325 HydrophobicContact CG1-CZ3 4.16Å; V306-W325 HydrophobicContact CG2-CH2 4.08Å; V306-W325 HydrophobicContact CG2-CZ3 4.34Å; A321-W325 WeakPolarHBondContact O-CB 3.33Å; A321-W325 PolarHBondContact O-N 3.37Å; L322-W325 HydrophobicContact CD1-CE3 4.39Å; L322-W325 PolarHBondContact O-N 3.49Å; A323-W325 VanDerWaalsContact C-N 3.32Å; A323-W325 PolarHBondContact O-N 3.01Å; W325-G327 VanDerWaalsContact C-N 3.34Å; W325-G327 PolarHBondContact O-N 3.09Å; W325-S328 CarbonylContact O-C 3.15Å; W325-S328 PolarHBondContact O-N 3.37Å; W325-S328 PolarHBondContact O-OG 3.08Å; W325-F329 HydrophobicContact CE3-CB 4.39Å; W325-F329 HydrophobicContact CH2-CB 4.42Å; W325-F329 HydrophobicContact CH2-CD1 4.22Å; W325-F329 AromaticContact CH2-CD2 3.51Å; W325-F329 HydrophobicContact CH2-CD2 3.51Å; W325-F329 HydrophobicContact CH2-CE1 4.35Å; W325-F329 AromaticContact CH2-CE2 3.7Å; W325-F329 HydrophobicContact CH2-CE2 3.7Å; W325-F329 AromaticContact CH2-CG 3.8Å; W325-F329 HydrophobicContact CH2-CG 3.8Å; W325-F329 HydrophobicContact CH2-CZ 4.11Å; W325-F329 AromaticContact CZ2-CD2 3.55Å; W325-F329 HydrophobicContact CZ2-CD2 3.55Å; W325-F329 AromaticContact CZ2-CE2 3.82Å; W325-F329 HydrophobicContact CZ2-CE2 3.82Å; W325-F329 HydrophobicContact CZ2-CG 4.21Å; W325-F329 HydrophobicContact CZ3-CB 4.27Å; W325-F329 HydrophobicContact CZ3-CD1 4.36Å; W325-F329 HydrophobicContact CZ3-CD2 4.18Å; W325-F329 HydrophobicContact CZ3-CG 4.02Å; W325-F329 WeakPolarHBondContact O-CB 3.47Å; W325-F329 PolarHBondContact O-N 3.39Å
326	L	96.2	Very high	95.8	Very high	6 Å²	6	64.5 Å²	64.5	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-58.3	-42.7	176.9	-74.7	171.9	0	0	0	112.1	L308 L322 A323 S328 F329 W333 I337 I350 L351	L308-L326 HydrophobicContact CD1-CD2 4.25Å; L322-L326 HydrophobicContact CD1-CD1 4.21Å; L322-L326 HydrophobicContact CD1-CG 4.1Å; L322-L326 HydrophobicContact CG-CD1 3.98Å; L322-L326 HydrophobicContact CG-CG 4.33Å; L322-L326 WeakPolarHBondContact O-CB 3.31Å; L322-L326 WeakPolarHBondContact O-CG 3.45Å; L322-L326 PolarHBondContact O-N 3.44Å; A323-L326 PolarHBondContact O-N 3.29Å; L326-S328 PolarHBondContact O-N 3.07Å; L326-F329 PolarHBondContact O-N 3.02Å; L326-W333 HydrophobicContact CD2-CE3 4.1Å; L326-W333 HydrophobicContact CD2-CH2 4.35Å; L326-W333 HydrophobicContact CD2-CZ3 3.89Å; L326-I337 HydrophobicContact CD1-CD1 4.07Å; L326-I337 HydrophobicContact CD2-CD1 3.67Å; L326-I350 HydrophobicContact CD1-CG2 4.42Å; L326-L351 HydrophobicContact CB-CD2 4.13Å
327	G	94.7	Very high	95.9	Very high	58 Å²	58	63.2 Å²	63.2	60%	0.598	35%	0.346	S	S	*	.	H	α-helix	trans	-64.9	-27.3	176.2	0	0	0	0	0	113.8	A323 W325	A323-G327 PolarHBondContact O-N 2.95Å; W325-G327 VanDerWaalsContact C-N 3.34Å; W325-G327 PolarHBondContact O-N 3.09Å
328	S	95.2	Very high	96.1	Very high	77 Å²	77	63.1 Å²	63.1	54%	0.538	34%	0.335	S	S	.	.	H	α-helix	trans	-91.5	-13.7	176.9	73.4	0	0	0	0	114.2	S324 W325 L326 Q330	S324-S328 PolarHBondContact O-N 3.14Å; S324-S328 PolarHBondContact O-OG 2.92Å; W325-S328 CarbonylContact O-C 3.15Å; W325-S328 PolarHBondContact O-N 3.37Å; W325-S328 PolarHBondContact O-OG 3.08Å; L326-S328 PolarHBondContact O-N 3.07Å; S328-Q330 PolarHBondContact O-N 3.22Å
329	F	96.1	Very high	96.2	Very high	29 Å²	29	57.1 Å²	57.1	13%	0.127	31%	0.313	C	S	.	.			trans	-73.6	121	-171	-174.7	-118	0	0	0	110.9	L303 V306 W325 L326 G331 W333	L303-F329 HydrophobicContact CB-CE2 3.7Å; L303-F329 HydrophobicContact CB-CZ 3.97Å; L303-F329 WeakPolarHBondContact O-CE2 2.98Å; V306-F329 HydrophobicContact CB-CE1 4.13Å; V306-F329 HydrophobicContact CB-CZ 4.24Å; V306-F329 HydrophobicContact CG1-CD1 4.11Å; V306-F329 HydrophobicContact CG1-CE1 3.6Å; V306-F329 HydrophobicContact CG1-CZ 4.2Å; W325-F329 HydrophobicContact CE3-CB 4.39Å; W325-F329 HydrophobicContact CH2-CB 4.42Å; W325-F329 HydrophobicContact CH2-CD1 4.22Å; W325-F329 AromaticContact CH2-CD2 3.51Å; W325-F329 HydrophobicContact CH2-CD2 3.51Å; W325-F329 HydrophobicContact CH2-CE1 4.35Å; W325-F329 AromaticContact CH2-CE2 3.7Å; W325-F329 HydrophobicContact CH2-CE2 3.7Å; W325-F329 AromaticContact CH2-CG 3.8Å; W325-F329 HydrophobicContact CH2-CG 3.8Å; W325-F329 HydrophobicContact CH2-CZ 4.11Å; W325-F329 AromaticContact CZ2-CD2 3.55Å; W325-F329 HydrophobicContact CZ2-CD2 3.55Å; W325-F329 AromaticContact CZ2-CE2 3.82Å; W325-F329 HydrophobicContact CZ2-CE2 3.82Å; W325-F329 HydrophobicContact CZ2-CG 4.21Å; W325-F329 HydrophobicContact CZ3-CB 4.27Å; W325-F329 HydrophobicContact CZ3-CD1 4.36Å; W325-F329 HydrophobicContact CZ3-CD2 4.18Å; W325-F329 HydrophobicContact CZ3-CG 4.02Å; W325-F329 WeakPolarHBondContact O-CB 3.47Å; W325-F329 PolarHBondContact O-N 3.39Å; L326-F329 PolarHBondContact O-N 3.02Å; F329-G331 VanDerWaalsContact C-N 3.34Å; F329-W333 AromaticContact CD1-CE3 3.99Å; F329-W333 HydrophobicContact CD1-CE3 3.99Å; F329-W333 AromaticContact CD1-CZ3 3.92Å; F329-W333 HydrophobicContact CD1-CZ3 3.92Å; F329-W333 HydrophobicContact CE1-CE3 4.49Å
330	Q	94.7	Very high	96.3	Very high	197 Å²	197	61.1 Å²	61.1	92%	0.921	33%	0.332	S	S	*	.			trans	-88.8	0.9	-178.9	-62.7	-177.5	-1.5	0	0	113.7	S328	S328-Q330 PolarHBondContact O-N 3.22Å
331	G	95.9	Very high	96.4	Very high	29 Å²	29	61.2 Å²	61.2	30%	0.299	33%	0.333	S	S	.	.	S	Bend	trans	-87	-157.1	178.1	0	0	0	0	0	113	T304 F329	T304-G331 CarbonylContact O-C 3.14Å; T304-G331 WeakPolarHBondContact O-CA 3.4Å; F329-G331 VanDerWaalsContact C-N 3.34Å
332	R	96.2	Very high	96.4	Very high	156 Å²	156	61.5 Å²	61.5	59%	0.589	33%	0.331	S	S	*	.	B	Isolated β-bridge	trans	-127.7	153.2	178.9	66.2	-175.9	-177.8	175.9	5.2	112.6	T304 T305 V306	T304-R332 PolarHBondContact O-N 3.13Å; T305-R332 VanDerWaalsContact CA-O 3.29Å; T305-R332 WeakPolarHBondContact CA-O 3.46Å; T305-R332 HydrophobicContact CG2-CG 4.21Å; T305-R332 PolarHBondContact OG1-NE 2.64Å; V306-R332 PolarHBondContact N-O 3.03Å
333	W	96.4	Very high	96.4	Very high	89 Å²	89	68.3 Å²	68.3	34%	0.337	37%	0.368	S	S	.	.			trans	-128.8	138.2	163	54.3	83.2	0	0	0	108.7	V306 L326 F329 I337	V306-W333 HydrophobicContact CG1-CB 4.07Å; V306-W333 HydrophobicContact CG1-CE3 4.17Å; V306-W333 VanDerWaalsContact O-CA 3.23Å; V306-W333 WeakPolarHBondContact O-CA 3.03Å; V306-W333 WeakPolarHBondContact O-CB 3.41Å; L326-W333 HydrophobicContact CD2-CE3 4.1Å; L326-W333 HydrophobicContact CD2-CH2 4.35Å; L326-W333 HydrophobicContact CD2-CZ3 3.89Å; F329-W333 AromaticContact CD1-CE3 3.99Å; F329-W333 HydrophobicContact CD1-CE3 3.99Å; F329-W333 AromaticContact CD1-CZ3 3.92Å; F329-W333 HydrophobicContact CD1-CZ3 3.92Å; F329-W333 HydrophobicContact CE1-CE3 4.49Å; W333-I337 HydrophobicContact CD2-CD1 4.15Å; W333-I337 HydrophobicContact CG-CD1 4.09Å
334	E	93.7	Very high	96.3	Very high	144 Å²	144	73.8 Å²	73.8	67%	0.673	39%	0.393	S	S	*	.	S	Bend	trans	-82.5	-23.8	-171.8	-66	-172.3	169.9	0	0	113.5
335	H	96.2	Very high	96.3	Very high	108 Å²	108	70.6 Å²	70.6	50%	0.5	37%	0.371	S	S	.	.	S	Bend	trans	-129.5	146.3	-174.1	-56.1	100.1	0	0	0	110.7	S309	S309-H335 WeakPolarHBondContact OG-CB 3.37Å
336	S	96.6	Very high	96.3	Very high	67 Å²	67	74.7 Å²	74.7	47%	0.469	39%	0.391	S	S	.	.			trans	-58	144.6	179.2	-60.4	0	0	0	0	112.7	S309 D349	S309-S336 VanDerWaalsContact CB-O 3.26Å; S309-S336 WeakPolarHBondContact CB-O 3.49Å; S336-D349 WeakPolarHBondContact CB-OD1 3.18Å
337	I	97.8	Very high	96.3	Very high	4 Å²	4	76.7 Å²	76.7	2%	0.021	41%	0.413	C	S	.	.			trans	-109.8	95.5	-176.9	-49.5	170.8	0	0	0	107.3	L308 L326 W333 D349 I350	L308-I337 HydrophobicContact CB-CD1 3.88Å; L308-I337 HydrophobicContact CB-CG1 4.08Å; L308-I337 HydrophobicContact CB-CG2 4Å; L308-I337 HydrophobicContact CD1-CD1 4.05Å; L308-I337 HydrophobicContact CG-CD1 4.48Å; L326-I337 HydrophobicContact CD1-CD1 4.07Å; L326-I337 HydrophobicContact CD2-CD1 3.67Å; W333-I337 HydrophobicContact CD2-CD1 4.15Å; W333-I337 HydrophobicContact CG-CD1 4.09Å; I337-D349 PolarHBondContact N-OD1 3.22Å; I337-I350 HydrophobicContact CB-CD1 4.46Å; I337-I350 HydrophobicContact CG2-CD1 3.52Å; I337-I350 HydrophobicContact CG2-CG1 4.3Å; I337-I350 WeakPolarHBondContact O-CG1 3.19Å; I337-I350 PolarHBondContact O-N 3.35Å
338	L	98.2	Very high	96.4	Very high	71 Å²	71	77.5 Å²	77.5	37%	0.372	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-98.2	146	-168	-52.3	175.9	0	0	0	112.4	E348	L338-E348 CarbonylContact C-O 3.59Å; L338-E348 VanDerWaalsContact CA-O 3.25Å; L338-E348 WeakPolarHBondContact CA-O 3.42Å
339	C	98.3	Very high	96.5	Very high	4 Å²	4	76.6 Å²	76.6	3%	0.027	39%	0.39	C	S	.	.			trans	-64.6	134.6	167.9	-63.6	0	0	0	0	110.7	C315 T345 G347 E348 A353	C315-C339 HydrophobicContact CB-CB 3.78Å; C315-C339 WeakPolarHBondContact CB-SG 3.47Å; C315-C339 VanDerWaalsContact SG-CA 3.55Å; C315-C339 WeakPolarHBondContact SG-CB 3.43Å; C315-C339 CovalentContact SG-SG 2.02Å; C315-C339 PolarHBondContact SG-SG 3.18Å; C339-T345 WeakPolarHBondContact CB-O 3.2Å; C339-G347 PolarHBondContact O-N 3.01Å; C339-E348 PolarHBondContact N-O 3.27Å; C339-A353 WeakPolarHBondContact SG-CB 3.25Å
340	H	98.2	Very high	96.6	Very high	85 Å²	85	75.3 Å²	75.3	39%	0.394	39%	0.385	S	S	.	.			trans	-98.8	-34.9	173.4	-176.4	71.7	0	0	0	112.3	L312 W313 Q346	L312-H340 VanDerWaalsContact CD2-CD2 3.46Å; L312-H340 WeakPolarHBondContact CD2-CD2 3.48Å; L312-H340 VanDerWaalsContact CD2-NE2 3.32Å; L312-H340 WeakPolarHBondContact CD2-NE2 3.31Å; W313-H340 WeakPolarHBondContact O-CB 3.4Å; W313-H340 PolarHBondContact O-N 2.98Å; H340-Q346 WeakPolarHBondContact O-CG 3.39Å
341	S	97.5	Very high	96.7	Very high	31 Å²	31	68.1 Å²	68.1	22%	0.217	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-147.1	157.8	-179.1	60.2	0	0	0	0	109.7	W313 E314 C315 T345	W313-S341 PolarHBondContact O-N 3.12Å; W313-S341 VanDerWaalsContact O-N 3.16Å; E314-S341 CarbonylContact C-O 3.52Å; E314-S341 WeakPolarHBondContact CA-O 3.47Å; C315-S341 PolarHBondContact N-O 3.47Å; S341-T345 PolarHBondContact O-OG1 3.36Å
342	P	97	Very high	96.7	Very high	43 Å²	43	71.7 Å²	71.7	28%	0.279	37%	0.365	S	S	.	.	S	Bend	cis	-71.8	167.9	-8.3	32.2	-38.2	0	0	0	113.1	H344 T345 Q346	P342-H344 WeakPolarHBondContact CG-CE1 3.35Å; P342-H344 PolarHBondContact O-N 3.33Å; P342-T345 WeakPolarHBondContact CD-OG1 3.3Å; P342-T345 HydrophobicContact CG-CG2 4.31Å; P342-T345 PolarHBondContact O-N 3.17Å; P342-T345 PolarHBondContact O-OG1 3.15Å; P342-Q346 PolarHBondContact O-N 3.14Å
343	D	96.2	Very high	96.7	Very high	142 Å²	142	64.3 Å²	64.3	76%	0.759	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-47.6	-36.8	-173.6	-62.6	2.9	0	0	0	114.7	T345 Q346	D343-T345 VanDerWaalsContact C-N 3.27Å; D343-T345 PolarHBondContact O-N 2.94Å; D343-Q346 WeakPolarHBondContact O-CB 3.46Å; D343-Q346 PolarHBondContact O-N 3.29Å
344	H	95	Very high	96.7	Very high	115 Å²	115	60.2 Å²	60.2	53%	0.532	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-72.5	-16	-179.4	61.2	-93.9	0	0	0	114.5	P342 F357	P342-H344 WeakPolarHBondContact CG-CE1 3.35Å; P342-H344 PolarHBondContact O-N 3.33Å; H344-F357 AromaticContact CD2-CD1 3.98Å; H344-F357 AromaticContact CD2-CE1 3.74Å; H344-F357 AromaticContact CD2-CZ 3.98Å; H344-F357 WeakPolarHBondContact O-CZ 3.45Å
345	T	96.3	Very high	96.6	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-104.4	-7.3	174.7	64.1	0	0	0	0	112.3	C315 C339 S341 P342 D343 G347 E348 A353 F357	C315-T345 HydrophobicContact CB-CG2 4.24Å; C339-T345 WeakPolarHBondContact CB-O 3.2Å; S341-T345 PolarHBondContact O-OG1 3.36Å; P342-T345 WeakPolarHBondContact CD-OG1 3.3Å; P342-T345 HydrophobicContact CG-CG2 4.31Å; P342-T345 PolarHBondContact O-N 3.17Å; P342-T345 PolarHBondContact O-OG1 3.15Å; D343-T345 VanDerWaalsContact C-N 3.27Å; D343-T345 PolarHBondContact O-N 2.94Å; T345-G347 PolarHBondContact O-N 3.35Å; T345-E348 WeakPolarHBondContact O-CB 3.36Å; T345-E348 PolarHBondContact O-N 2.95Å; T345-E348 VanDerWaalsContact O-N 3.08Å; T345-A353 HydrophobicContact CG2-CB 4.45Å; T345-F357 HydrophobicContact CG2-CD2 3.79Å; T345-F357 HydrophobicContact CG2-CE2 3.81Å; T345-F357 HydrophobicContact CG2-CG 4.43Å; T345-F357 HydrophobicContact CG2-CZ 4.48Å
346	Q	96.2	Very high	96.5	Very high	114 Å²	114	54.7 Å²	54.7	53%	0.533	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	124.4	-167.9	-175.4	179.9	14.7	0	0	111.4	H340 P342 D343	H340-Q346 WeakPolarHBondContact O-CG 3.39Å; P342-Q346 PolarHBondContact O-N 3.14Å; D343-Q346 WeakPolarHBondContact O-CB 3.46Å; D343-Q346 PolarHBondContact O-N 3.29Å
347	G	96.1	Very high	96.4	Very high	47 Å²	47	55.6 Å²	55.6	49%	0.485	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-3.4	179.8	0	0	0	0	0	115.1	C339 T345	C339-G347 PolarHBondContact O-N 3.01Å; T345-G347 PolarHBondContact O-N 3.35Å
348	E	97	Very high	96.1	Very high	76 Å²	76	63 Å²	63	36%	0.355	34%	0.342	S	S	.	.	S	Bend	trans	-80.7	150.6	170.1	-63.2	-168.1	170.7	0	0	111.6	L338 C339 T345 A353 F357	L338-E348 CarbonylContact C-O 3.59Å; L338-E348 VanDerWaalsContact CA-O 3.25Å; L338-E348 WeakPolarHBondContact CA-O 3.42Å; C339-E348 PolarHBondContact N-O 3.27Å; T345-E348 WeakPolarHBondContact O-CB 3.36Å; T345-E348 PolarHBondContact O-N 2.95Å; T345-E348 VanDerWaalsContact O-N 3.08Å; E348-A353 HydrophobicContact CB-CB 4.26Å; E348-F357 VanDerWaalsContact OE2-CE2 3.28Å; E348-F357 WeakPolarHBondContact OE2-CE2 3.37Å
349	D	97.5	Very high	95.9	Very high	57 Å²	57	61.2 Å²	61.2	31%	0.305	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-64.6	139.3	170	-87.7	-76.4	0	0	0	110.3	S336 I337 L351 D352 A353	S336-D349 WeakPolarHBondContact CB-OD1 3.18Å; I337-D349 PolarHBondContact N-OD1 3.22Å; D349-L351 VanDerWaalsContact C-N 3.26Å; D349-L351 PolarHBondContact O-N 2.75Å; D349-L351 VanDerWaalsContact O-N 3.17Å; D349-D352 HydrophobicContact CB-CB 4.37Å; D349-D352 PolarHBondContact O-N 2.98Å; D349-A353 PolarHBondContact O-N 3.06Å
350	I	97.3	Very high	95.6	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-53	-42.8	-175.4	-74.2	176.9	0	0	0	112.4	W313 I319 L322 A323 L326 I337 V354	W313-I350 HydrophobicContact CB-CD1 4.09Å; W313-I350 HydrophobicContact CD2-CD1 4.27Å; W313-I350 HydrophobicContact CG-CD1 3.83Å; I319-I350 HydrophobicContact CD1-CD1 4.12Å; I319-I350 HydrophobicContact CG1-CD1 4.13Å; I319-I350 HydrophobicContact CG1-CG1 4.46Å; I319-I350 HydrophobicContact CG1-CG2 3.88Å; L322-I350 HydrophobicContact CD2-CD1 4.04Å; A323-I350 HydrophobicContact CB-CG2 4.02Å; L326-I350 HydrophobicContact CD1-CG2 4.42Å; I337-I350 HydrophobicContact CB-CD1 4.46Å; I337-I350 HydrophobicContact CG2-CD1 3.52Å; I337-I350 HydrophobicContact CG2-CG1 4.3Å; I337-I350 WeakPolarHBondContact O-CG1 3.19Å; I337-I350 PolarHBondContact O-N 3.35Å; I350-V354 HydrophobicContact CG2-CG2 4.44Å; I350-V354 WeakPolarHBondContact O-CB 3.3Å; I350-V354 VanDerWaalsContact O-CG2 3.24Å; I350-V354 WeakPolarHBondContact O-CG2 3.41Å; I350-V354 PolarHBondContact O-N 2.99Å
351	L	96.1	Very high	94.6	Very high	47 Å²	47	69.3 Å²	69.3	25%	0.246	36%	0.361	C	S	.	.	H	α-helix	trans	-66.4	-42.2	-178.9	-63.7	-179.8	0	0	0	111	A323 L326 D349 V354 H355	A323-L351 HydrophobicContact CB-CD2 4.34Å; A323-L351 WeakPolarHBondContact O-CD2 3.48Å; L326-L351 HydrophobicContact CB-CD2 4.13Å; D349-L351 VanDerWaalsContact C-N 3.26Å; D349-L351 PolarHBondContact O-N 2.75Å; D349-L351 VanDerWaalsContact O-N 3.17Å; L351-V354 PolarHBondContact O-N 2.94Å; L351-H355 PolarHBondContact O-CD2 2.81Å; L351-H355 PolarHBondContact O-N 3.18Å; L351-H355 VanDerWaalsContact O-N 3.08Å
352	D	96.3	Very high	92.9	Very high	104 Å²	104	75.3 Å²	75.3	56%	0.556	39%	0.391	S	S	*	.	H	α-helix	trans	-65.3	-43.8	178.3	-68.5	-19.5	0	0	0	111	D349 V354 H355 G356	D349-D352 HydrophobicContact CB-CB 4.37Å; D349-D352 PolarHBondContact O-N 2.98Å; D352-V354 PolarHBondContact O-N 3.26Å; D352-H355 PolarHBondContact O-N 3.07Å; D352-G356 WeakPolarHBondContact O-CA 3.44Å; D352-G356 PolarHBondContact O-N 2.75Å
353	A	96.5	Very high	91.1	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-63	-41	176.6	0	0	0	0	0	112.3	C339 T345 E348 D349 H355 F357	C339-A353 WeakPolarHBondContact SG-CB 3.25Å; T345-A353 HydrophobicContact CG2-CB 4.45Å; E348-A353 HydrophobicContact CB-CB 4.26Å; D349-A353 PolarHBondContact O-N 3.06Å; A353-H355 PolarHBondContact O-N 2.91Å; A353-F357 HydrophobicContact CB-CD2 4.35Å; A353-F357 WeakPolarHBondContact O-CB 3.4Å; A353-F357 WeakPolarHBondContact O-CD2 3.39Å; A353-F357 PolarHBondContact O-N 2.87Å
354	V	95.8	Very high	88.5	Confident	3 Å²	3	72.6 Å²	72.6	2%	0.018	38%	0.382	C	S	.	.	H	α-helix	trans	-63.7	-41.9	177.9	166.4	0	0	0	0	111.8	I319 A323 I350 L351 D352 Q358 L359 C360 L363	I319-V354 HydrophobicContact CG2-CG2 3.65Å; A323-V354 HydrophobicContact CB-CB 4.44Å; A323-V354 HydrophobicContact CB-CG1 4.43Å; A323-V354 HydrophobicContact CB-CG2 3.77Å; I350-V354 HydrophobicContact CG2-CG2 4.44Å; I350-V354 WeakPolarHBondContact O-CB 3.3Å; I350-V354 VanDerWaalsContact O-CG2 3.24Å; I350-V354 WeakPolarHBondContact O-CG2 3.41Å; I350-V354 PolarHBondContact O-N 2.99Å; L351-V354 PolarHBondContact O-N 2.94Å; D352-V354 PolarHBondContact O-N 3.26Å; V354-Q358 WeakPolarHBondContact O-CA 3.26Å; V354-Q358 PolarHBondContact O-N 3.42Å; V354-L359 HydrophobicContact CG2-CB 4.38Å; V354-L359 HydrophobicContact CG2-CD1 4.08Å; V354-L359 PolarHBondContact O-N 2.87Å; V354-C360 HydrophobicContact CG1-CB 3.85Å; V354-C360 VanDerWaalsContact CG1-SG 3.52Å; V354-L363 HydrophobicContact CG1-CB 4.43Å; V354-L363 HydrophobicContact CG1-CD2 4.13Å
355	H	93.6	Very high	86	Confident	76 Å²	76	73.4 Å²	73.4	35%	0.352	40%	0.395	S	S	.	.	H	α-helix	trans	-73.1	-44.6	176.8	-74.1	-64.3	0	0	0	112.4	L351 D352 A353 L363	L351-H355 PolarHBondContact O-CD2 2.81Å; L351-H355 PolarHBondContact O-N 3.18Å; L351-H355 VanDerWaalsContact O-N 3.08Å; D352-H355 PolarHBondContact O-N 3.07Å; A353-H355 PolarHBondContact O-N 2.91Å; H355-L363 PolarHBondContact CE1-O 2.74Å
356	G	93.8	Very high	83.2	Confident	61 Å²	61	79.8 Å²	79.8	63%	0.629	43%	0.434	S	S	*	.	H	α-helix	trans	-67.5	-41.7	-175.9	0	0	0	0	0	113.3	D352	D352-G356 WeakPolarHBondContact O-CA 3.44Å; D352-G356 PolarHBondContact O-N 2.75Å
357	F	93.9	Very high	80.5	Confident	86 Å²	86	79.5 Å²	79.5	38%	0.377	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	7.3	-179.3	-63.8	-78.9	0	0	0	114	H344 T345 E348 A353 L359	H344-F357 AromaticContact CD2-CD1 3.98Å; H344-F357 AromaticContact CD2-CE1 3.74Å; H344-F357 AromaticContact CD2-CZ 3.98Å; H344-F357 WeakPolarHBondContact O-CZ 3.45Å; T345-F357 HydrophobicContact CG2-CD2 3.79Å; T345-F357 HydrophobicContact CG2-CE2 3.81Å; T345-F357 HydrophobicContact CG2-CG 4.43Å; T345-F357 HydrophobicContact CG2-CZ 4.48Å; E348-F357 VanDerWaalsContact OE2-CE2 3.28Å; E348-F357 WeakPolarHBondContact OE2-CE2 3.37Å; A353-F357 HydrophobicContact CB-CD2 4.35Å; A353-F357 WeakPolarHBondContact O-CB 3.4Å; A353-F357 WeakPolarHBondContact O-CD2 3.39Å; A353-F357 PolarHBondContact O-N 2.87Å; F357-L359 VanDerWaalsContact C-N 3.25Å; F357-L359 HydrophobicContact CB-CD2 3.77Å; F357-L359 HydrophobicContact CB-CG 3.95Å; F357-L359 PolarHBondContact O-N 2.03Å
358	Q	92.5	Very high	77.8	Confident	158 Å²	158	83 Å²	83	74%	0.738	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	42.2	-179.5	-61	-168.1	-29.2	0	0	113.7	V354 C360	V354-Q358 WeakPolarHBondContact O-CA 3.26Å; V354-Q358 PolarHBondContact O-N 3.42Å; Q358-C360 VanDerWaalsContact C-N 3.26Å; Q358-C360 PolarHBondContact O-N 3.44Å
359	L	93	Very high	74.9	Confident	35 Å²	35	85 Å²	85	18%	0.183	47%	0.469	C	S	.	.			trans	-67.6	-26.5	-173	-58.8	179	0	0	0	113.3	C315 V354 F357	C315-L359 HydrophobicContact CB-CD1 4.14Å; C315-L359 WeakPolarHBondContact O-CD1 3.32Å; V354-L359 HydrophobicContact CG2-CB 4.38Å; V354-L359 HydrophobicContact CG2-CD1 4.08Å; V354-L359 PolarHBondContact O-N 2.87Å; F357-L359 VanDerWaalsContact C-N 3.25Å; F357-L359 HydrophobicContact CB-CD2 3.77Å; F357-L359 HydrophobicContact CB-CG 3.95Å; F357-L359 PolarHBondContact O-N 2.03Å
360	C	93	Very high	72	Confident	13 Å²	13	90.8 Å²	90.8	9%	0.088	50%	0.497	C	S	.	.			trans	-126.9	122.5	-171.6	-52.8	0	0	0	0	110.7	C320 V354 Q358 N362 L363	C320-C360 WeakPolarHBondContact CA-SG 3.45Å; C320-C360 HydrophobicContact CB-CB 3.87Å; C320-C360 WeakPolarHBondContact CB-SG 3.26Å; C320-C360 WeakPolarHBondContact SG-CA 3.37Å; C320-C360 WeakPolarHBondContact SG-CB 3.44Å; C320-C360 CovalentContact SG-SG 2.03Å; C320-C360 PolarHBondContact SG-SG 3.36Å; V354-C360 HydrophobicContact CG1-CB 3.85Å; V354-C360 VanDerWaalsContact CG1-SG 3.52Å; Q358-C360 VanDerWaalsContact C-N 3.26Å; Q358-C360 PolarHBondContact O-N 3.44Å; C360-N362 PolarHBondContact O-N 3.04Å; C360-L363 HydrophobicContact CB-CD1 4.3Å
361	W	75.6	Confident	69	Low	245 Å²	245	93.9 Å²	93.9	93%	0.928	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-2.2	-173.3	-64.1	-44.6	0	0	0	115.9
362	N	63	Low	66	Low	158 Å²	158	98.4 Å²	98.4	85%	0.845	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.4	2.1	-172.6	-76.4	-11.6	0	0	0	115.9	C360 S364	C360-N362 PolarHBondContact O-N 3.04Å; N362-S364 VanDerWaalsContact C-N 3.34Å
363	L	59.5	Low	63	Low	33 Å²	33	99 Å²	99	17%	0.173	56%	0.56	C	S	.	*			trans	-88.6	3	179.7	-101.6	84.8	0	0	0	114.2	A323 V354 H355 C360 T365	A323-L363 HydrophobicContact CB-CD2 4.41Å; V354-L363 HydrophobicContact CG1-CB 4.43Å; V354-L363 HydrophobicContact CG1-CD2 4.13Å; H355-L363 PolarHBondContact CE1-O 2.74Å; C360-L363 HydrophobicContact CB-CD1 4.3Å; L363-T365 VanDerWaalsContact C-N 3.32Å; L363-T365 PolarHBondContact O-N 3.02Å
364	S	41.6	Very low	59.9	Low	95 Å²	95	109.5 Å²	109.5	66%	0.664	60%	0.601	S	S	*	*			trans	-76.2	77.6	178	-55.8	0	0	0	0	111.5	N362	N362-S364 VanDerWaalsContact C-N 3.34Å
365	T	41.2	Very low	56.9	Low	132 Å²	132	120 Å²	120	81%	0.81	64%	0.64	S	S	*	*	S	Bend	trans	152.3	86.7	145.6	48.1	0	0	0	0	112.3	L363	L363-T365 VanDerWaalsContact C-N 3.32Å; L363-T365 PolarHBondContact O-N 3.02Å
366	T	36.9	Very low	54	Low	134 Å²	134	123.1 Å²	123.1	82%	0.822	66%	0.66	S	S	*	*			trans	176.6	74	139.6	30.2	0	0	0	0	109.8	T368	T366-T368 PolarHBondContact O-N 2.96Å
367	V	41.2	Very low	51.1	Low	107 Å²	107	125.4 Å²	125.4	65%	0.648	66%	0.663	S	S	*	*			trans	-86.7	93.3	162.8	178.2	0	0	0	0	107.3	V369	V367-V369 HydrophobicContact CG1-CG2 4.1Å; V367-V369 PolarHBondContact O-N 2.96Å
368	T	38	Very low	48.5	Very low	120 Å²	120	127.4 Å²	127.4	74%	0.736	68%	0.683	S	S	*	*			trans	-83.5	104.7	159.1	-49.5	0	0	0	0	106.3	T366 M370	T366-T368 PolarHBondContact O-N 2.96Å; T368-M370 PolarHBondContact O-N 2.87Å
369	V	36.6	Very low	45.8	Very low	119 Å²	119	125.5 Å²	125.5	72%	0.721	68%	0.682	S	S	*	*			trans	-58.2	97.1	173.1	179.3	0	0	0	0	108.4	V367 A371	V367-V369 HydrophobicContact CG1-CG2 4.1Å; V367-V369 PolarHBondContact O-N 2.96Å; V369-A371 VanDerWaalsContact C-N 3.29Å; V369-A371 PolarHBondContact O-N 3.47Å
370	M	36.7	Very low	42.9	Very low	179 Å²	179	131.5 Å²	131.5	88%	0.882	71%	0.709	S	S	*	*			trans	-80.3	89.6	158.4	-76.7	-138.2	-141.5	0	0	107	T368 T372	T368-M370 PolarHBondContact O-N 2.87Å; M370-T372 PolarHBondContact O-N 2.94Å; M370-T372 VanDerWaalsContact O-N 3.11Å
371	A	34.7	Very low	40.2	Very low	67 Å²	67	140.9 Å²	140.9	55%	0.554	74%	0.744	S	S	*	*			trans	-54.3	117.7	164.5	0	0	0	0	0	108.3	V369 T373	V369-A371 VanDerWaalsContact C-N 3.29Å; V369-A371 PolarHBondContact O-N 3.47Å; A371-T373 PolarHBondContact O-N 2.92Å
372	T	33.5	Very low	38.2	Very low	141 Å²	141	134.6 Å²	134.6	87%	0.865	73%	0.733	S	S	*	*			trans	-57.9	96.8	158.9	39.6	0	0	0	0	106.7	M370 Y374	M370-T372 PolarHBondContact O-N 2.94Å; M370-T372 VanDerWaalsContact O-N 3.11Å; T372-Y374 VanDerWaalsContact C-N 3.26Å; T372-Y374 PolarHBondContact O-N 3.4Å
373	T	32.4	Very low	36.9	Very low	118 Å²	118	135 Å²	135	72%	0.724	73%	0.727	S	S	*	*			trans	-73.4	86.7	177.8	27	0	0	0	0	108.5	A371 R375	A371-T373 PolarHBondContact O-N 2.92Å; T373-R375 VanDerWaalsContact C-N 3.26Å; T373-R375 PolarHBondContact O-N 3.5Å; T373-R375 VanDerWaalsContact O-N 3.13Å
374	Y	32.1	Very low	35.6	Very low	220 Å²	220	142.5 Å²	142.5	86%	0.863	75%	0.753	S	S	*	*			trans	-71.1	89.5	151.3	-132.4	-91.4	0	0	0	106.6	T372 D376	T372-Y374 VanDerWaalsContact C-N 3.26Å; T372-Y374 PolarHBondContact O-N 3.4Å; Y374-D376 PolarHBondContact O-N 2.89Å
375	R	32.4	Very low	35.4	Very low	224 Å²	224	144.5 Å²	144.5	85%	0.845	76%	0.755	S	S	*	*			trans	-83.4	103.4	170.8	-98	-175.6	179.6	169.2	1.1	108.7	T373	T373-R375 VanDerWaalsContact C-N 3.26Å; T373-R375 PolarHBondContact O-N 3.5Å; T373-R375 VanDerWaalsContact O-N 3.13Å
376	D	32.2	Very low	35.1	Very low	141 Å²	141	143.2 Å²	143.2	75%	0.754	75%	0.751	S	S	*	*			trans	-84.7	138.6	150	-99.9	-36.7	0	0	0	109	Y374	Y374-D376 PolarHBondContact O-N 2.89Å
377	P	33.1	Very low	35.2	Very low	108 Å²	108	142 Å²	142	70%	0.701	75%	0.749	S	S	*	*			trans	-89.3	127.4	-177.5	32.7	-28.1	0	0	0	110.5
378	T	39.3	Very low	35	Very low	129 Å²	129	142 Å²	142	79%	0.791	75%	0.753	S	S	*	*			trans	-178.2	125.3	138.8	21.6	0	0	0	0	113
379	T	36.4	Very low	34.9	Very low	118 Å²	118	140.4 Å²	140.4	72%	0.724	75%	0.747	S	S	*	*			trans	51.9	102.6	145.4	49.5	0	0	0	0	118.9
380	E	32.7	Very low	34.8	Very low	161 Å²	161	144.2 Å²	144.2	75%	0.752	75%	0.75	S	S	*	*				68.8	105.8	80.9	-158.9	179.4	-137.5	0	0	113
381	Y	34.7	Very low	34.8	Very low	210 Å²	210	142.8 Å²	142.8	82%	0.824	74%	0.74	S	S	*	*				-178.3	152.6	118.3	-112.9	-93.9	0	0	0	113
382	T	34.9	Very low	34.9	Very low	113 Å²	113	145.7 Å²	145.7	69%	0.693	75%	0.751	S	S	*	*			trans	-80.5	160.8	-161.3	18.9	0	0	0	0	116.6
383	K	34.4	Very low	35	Very low	167 Å²	167	142.5 Å²	142.5	73%	0.726	75%	0.746	S	S	*	*			trans	135.2	138	140.2	-79.8	-178.5	175.6	166.4	0	110.3
384	R	33.7	Very low	35	Very low	190 Å²	190	144.1 Å²	144.1	72%	0.717	75%	0.75	S	S	*	*			cis	-177.8	162.1	21.3	-130.6	178.9	-164.2	176.2	2.6	110.6
385	I	36.7	Very low	35.3	Very low	137 Å²	137	141.8 Å²	141.8	70%	0.703	74%	0.744	S	S	*	*			trans	84.5	108.2	149.7	-58.8	152.8	0	0	0	116.3
386	S	34.8	Very low	35.3	Very low	105 Å²	105	138.2 Å²	138.2	73%	0.734	74%	0.738	S	S	*	*			cis	83.6	114.2	44.8	-54.5	0	0	0	0	114.3
387	S	37.9	Very low	35.5	Very low	109 Å²	109	138.1 Å²	138.1	76%	0.762	74%	0.736	S	S	*	*				159.4	102.6	129.5	63.3	0	0	0	0	109
388	S	38	Very low	35.9	Very low	107 Å²	107	138.1 Å²	138.1	75%	0.748	74%	0.736	S	S	*	*				82.2	133.5	91.8	71.5	0	0	0	0	112.2
389	S	36.3	Very low	35.5	Very low	85 Å²	85	138.5 Å²	138.5	59%	0.594	74%	0.738	S	S	*	*			cis	170.7	159	7.8	52.3	0	0	0	0	111.7
390	Y	34.3	Very low	35.6	Very low	200 Å²	200	138.9 Å²	138.9	78%	0.784	74%	0.74	S	S	*	*			trans	65.8	144.2	151.8	-63.8	-61.6	0	0	0	118.3
391	H	37.3	Very low	35.6	Very low	149 Å²	149	136.1 Å²	136.1	69%	0.69	75%	0.745	S	S	*	*			cis	-160.4	132.1	10	-116.4	-58.9	0	0	0	106.9
392	V	35.3	Very low	35.7	Very low	128 Å²	128	129.6 Å²	129.6	78%	0.776	74%	0.742	S	S	*	*				66	126.4	104.2	177.7	0	0	0	0	117.4
393	G	35.8	Very low	36	Very low	74 Å²	74	132.5 Å²	132.5	76%	0.763	75%	0.751	S	S	*	*			trans	169.6	93.3	162.2	0	0	0	0	0	113.8
394	D	34	Very low	35.8	Very low	151 Å²	151	128.5 Å²	128.5	81%	0.807	75%	0.749	S	S	*	*			trans	-70.5	160.8	178.6	-67.1	-55.3	0	0	0	115.8
395	K	37.3	Very low	36	Very low	171 Å²	171	126.5 Å²	126.5	74%	0.743	76%	0.758	S	S	*	*				144.2	115.5	128.2	-82.5	-168.5	168.5	-162.6	0	114
396	E	33.1	Very low	35.8	Very low	150 Å²	150	125.6 Å²	125.6	70%	0.701	76%	0.759	S	S	*	*				71.9	143.2	99.6	-68	178.7	155.4	0	0	114
397	I	35.7	Very low	35.9	Very low	139 Å²	139	127.6 Å²	127.6	71%	0.713	77%	0.767	S	S	*	*			cis	-172.1	155.2	-8	-98.3	162.7	0	0	0	104.3
398	P	41	Very low	35.6	Very low	108 Å²	108	131.3 Å²	131.3	70%	0.701	77%	0.772	S	S	*	*			trans	-97.3	164.3	-176	37.8	-36.5	0	0	0	114.9
399	T	32	Very low	35.5	Very low	136 Å²	136	135.5 Å²	135.5	83%	0.834	78%	0.78	S	S	*	*			trans	161.3	143.4	152.6	29.4	0	0	0	0	109.7
400	T	37.3	Very low	35.3	Very low	126 Å²	126	140.4 Å²	140.4	77%	0.773	79%	0.793	S	S	*	*				167.8	117.6	81.7	-51.5	0	0	0	0	106.7
401	A	33.3	Very low	35.2	Very low	103 Å²	103	139.6 Å²	139.6	85%	0.851	79%	0.794	S	S	*	*				78.5	137.5	94.3	0	0	0	0	0	118.9
402	G	36.6	Very low	35.2	Very low	74 Å²	74	138.3 Å²	138.3	76%	0.763	80%	0.799	S	S	*	*			trans	148.2	133.4	162.3	0	0	0	0	0	111.5
403	I	40.7	Very low	35.4	Very low	174 Å²	174	141 Å²	141	89%	0.892	80%	0.803	S	S	*	*			cis	-156.2	150.1	5.1	-82.6	167.5	0	0	0	106.7
404	A	30.7	Very low	36	Very low	82 Å²	82	143 Å²	143	68%	0.678	80%	0.802	S	S	*	*			trans	-79.7	152.3	-178.6	0	0	0	0	0	114.6
405	V	38	Very low	36.8	Very low	148 Å²	148	140.9 Å²	140.9	90%	0.897	79%	0.791	S	S	*	*			trans	-141.3	125.9	145.4	179.2	0	0	0	0	108.7
406	T	31.6	Very low	37.5	Very low	119 Å²	119	139.5 Å²	139.5	73%	0.73	79%	0.792	S	S	*	*			trans	-86.7	140.1	-179.9	43.3	0	0	0	0	112.1
407	T	38.4	Very low	38.5	Very low	147 Å²	147	135.4 Å²	135.4	90%	0.902	78%	0.783	S	S	*	*			trans	-145.6	125.3	143.1	31.7	0	0	0	0	109.5
408	E	31.8	Very low	39.6	Very low	186 Å²	186	133.1 Å²	133.1	87%	0.869	77%	0.771	S	S	*	*			trans	-70.1	144.5	178.7	-61.2	171.8	139.6	0	0	111.4
409	E	34	Very low	40.5	Very low	195 Å²	195	135.1 Å²	135.1	91%	0.911	77%	0.77	S	S	*	*			trans	-168.2	105.8	138.4	-108	175.8	-164.9	0	0	112
410	H	32.8	Very low	42.2	Very low	188 Å²	188	132.5 Å²	132.5	87%	0.87	75%	0.754	S	S	*	*			trans	46.8	114.4	140.2	-133	67.7	0	0	0	122.2
411	F	32	Very low	43.8	Very low	184 Å²	184	133 Å²	133	81%	0.807	75%	0.747	S	S	*	*			trans	-68.6	155.2	168.3	-89.5	-99.7	0	0	0	113.5
412	P	37.7	Very low	45.8	Very low	121 Å²	121	137.1 Å²	137.1	79%	0.786	74%	0.74	S	S	*	*				-132.7	148.6	114	32.5	-19.3	0	0	0	113.5
413	E	38.6	Very low	47.8	Very low	186 Å²	186	137.5 Å²	137.5	87%	0.869	73%	0.728	S	S	*	*			trans	-48.7	134.3	-179.2	-66.1	-178.7	133.3	0	0	114
414	P	49.7	Very low	49.7	Very low	116 Å²	116	134 Å²	134	75%	0.753	71%	0.71	S	S	*	*			trans	-96.1	123.9	167.6	33.4	-25.4	0	0	0	111	N416	P414-N416 PolarHBondContact O-N 3.26Å
415	D	50.6	Low	52	Low	106 Å²	106	134.3 Å²	134.3	57%	0.567	70%	0.703	S	S	*	*			trans	-40.1	109.7	177.2	-64.8	-54.3	0	0	0	114.6	A417 I418	D415-A417 PolarHBondContact O-N 3.09Å; D415-I418 HydrophobicContact CB-CB 4.41Å; D415-I418 HydrophobicContact CB-CD1 4.01Å; D415-I418 HydrophobicContact CB-CG1 3.97Å; D415-I418 PolarHBondContact O-N 3.34Å
416	N	52.3	Low	54.3	Low	142 Å²	142	129 Å²	129	76%	0.759	68%	0.678	S	S	*	*	H	α-helix	trans	-53.2	-20.9	168.5	-88.8	-24.7	0	0	0	112.9	P414 T420	P414-N416 PolarHBondContact O-N 3.26Å; N416-T420 PolarHBondContact O-N 3.04Å; N416-T420 PolarHBondContact O-OG1 3.01Å
417	A	53.1	Low	56.9	Low	63 Å²	63	126.4 Å²	126.4	52%	0.521	66%	0.663	S	S	.	*	H	α-helix	trans	-71.6	-37.3	176.1	0	0	0	0	0	113.7	D415 T420 Q421	D415-A417 PolarHBondContact O-N 3.09Å; A417-T420 WeakPolarHBondContact CA-OG1 3.45Å; A417-T420 PolarHBondContact O-OG1 3.07Å; A417-Q421 WeakPolarHBondContact O-CB 3.23Å; A417-Q421 PolarHBondContact O-N 3.05Å
418	I	59.6	Low	59.2	Low	91 Å²	91	123.8 Å²	123.8	47%	0.467	64%	0.641	S	S	.	*	H	α-helix	trans	-75.4	-35.9	-178.6	-62.9	175.6	0	0	0	110.2	D415 Q421 R422	D415-I418 HydrophobicContact CB-CB 4.41Å; D415-I418 HydrophobicContact CB-CD1 4.01Å; D415-I418 HydrophobicContact CB-CG1 3.97Å; D415-I418 PolarHBondContact O-N 3.34Å; I418-Q421 PolarHBondContact O-N 2.84Å; I418-R422 WeakPolarHBondContact O-CG 3.21Å; I418-R422 PolarHBondContact O-N 3.32Å
419	F	59.8	Low	61.8	Low	151 Å²	151	117.9 Å²	117.9	66%	0.662	62%	0.624	S	S	*	*	H	α-helix	trans	-68.9	-44.1	176.3	-129.2	-84.3	0	0	0	111.7	Q421 R422 V423	F419-Q421 PolarHBondContact O-N 3.14Å; F419-R422 PolarHBondContact O-N 2.99Å; F419-V423 HydrophobicContact CD1-CG2 4.36Å; F419-V423 VanDerWaalsContact O-CG2 3.31Å; F419-V423 WeakPolarHBondContact O-CG2 3.29Å; F419-V423 PolarHBondContact O-N 3.12Å
420	T	68.4	Low	64.4	Low	81 Å²	81	114.4 Å²	114.4	50%	0.497	61%	0.612	S	S	.	*	H	α-helix	trans	-62.3	-41.2	174	33.2	0	0	0	0	111.8	N416 A417 R422 V423 I424	N416-T420 PolarHBondContact O-N 3.04Å; N416-T420 PolarHBondContact O-OG1 3.01Å; A417-T420 WeakPolarHBondContact CA-OG1 3.45Å; A417-T420 PolarHBondContact O-OG1 3.07Å; T420-R422 PolarHBondContact O-N 3.43Å; T420-V423 PolarHBondContact O-N 3.07Å; T420-I424 WeakPolarHBondContact O-CB 3.44Å; T420-I424 WeakPolarHBondContact O-CD1 3.23Å; T420-I424 WeakPolarHBondContact O-CG1 3.49Å; T420-I424 PolarHBondContact O-N 3.34Å
421	Q	70.3	Confident	67.1	Low	137 Å²	137	109.3 Å²	109.3	64%	0.64	59%	0.59	S	S	*	*	H	α-helix	trans	-65.2	-37	177.7	-168.5	164.4	-7.7	0	0	112.9	A417 I418 F419 T425	A417-Q421 WeakPolarHBondContact O-CB 3.23Å; A417-Q421 PolarHBondContact O-N 3.05Å; I418-Q421 PolarHBondContact O-N 2.84Å; F419-Q421 PolarHBondContact O-N 3.14Å; Q421-T425 WeakPolarHBondContact O-CB 3.34Å; Q421-T425 PolarHBondContact O-N 2.96Å; Q421-T425 PolarHBondContact O-OG1 3.3Å
422	R	74.5	Confident	69.8	Low	188 Å²	188	108.2 Å²	108.2	71%	0.709	59%	0.585	S	S	*	*	H	α-helix	trans	-67.6	-40.7	174.2	-77.1	-177.6	169.8	-173.6	-1.4	112.6	I418 F419 T420 T425 G426	I418-R422 WeakPolarHBondContact O-CG 3.21Å; I418-R422 PolarHBondContact O-N 3.32Å; F419-R422 PolarHBondContact O-N 2.99Å; T420-R422 PolarHBondContact O-N 3.43Å; R422-T425 PolarHBondContact O-N 3.17Å; R422-G426 PolarHBondContact O-N 3.43Å
423	V	79.4	Confident	72.2	Confident	83 Å²	83	105.1 Å²	105.1	50%	0.503	57%	0.567	S	S	.	*	H	α-helix	trans	-66.5	-41.4	176.5	174.2	0	0	0	0	111.1	F419 T420 T425 G426 T427	F419-V423 HydrophobicContact CD1-CG2 4.36Å; F419-V423 VanDerWaalsContact O-CG2 3.31Å; F419-V423 WeakPolarHBondContact O-CG2 3.29Å; F419-V423 PolarHBondContact O-N 3.12Å; T420-V423 PolarHBondContact O-N 3.07Å; V423-T425 PolarHBondContact O-N 3.22Å; V423-G426 PolarHBondContact O-N 2.89Å; V423-T427 HydrophobicContact CG1-CG2 4.46Å; V423-T427 WeakPolarHBondContact O-CB 3.49Å; V423-T427 WeakPolarHBondContact O-CG2 2.91Å; V423-T427 PolarHBondContact O-N 3.13Å; V423-T427 PolarHBondContact O-OG1 3Å
424	I	80	Confident	74.7	Confident	100 Å²	100	102 Å²	102	51%	0.513	55%	0.55	S	S	.	*	H	α-helix	trans	-62.6	-42.7	174.3	-67	163.8	0	0	0	110.6	T420 T427 M428	T420-I424 WeakPolarHBondContact O-CB 3.44Å; T420-I424 WeakPolarHBondContact O-CD1 3.23Å; T420-I424 WeakPolarHBondContact O-CG1 3.49Å; T420-I424 PolarHBondContact O-N 3.34Å; I424-T427 WeakPolarHBondContact CA-OG1 3.44Å; I424-T427 PolarHBondContact O-N 2.89Å; I424-T427 PolarHBondContact O-OG1 2.95Å; I424-M428 HydrophobicContact CG2-CG 4.41Å; I424-M428 WeakPolarHBondContact O-CB 3.41Å; I424-M428 VanDerWaalsContact O-CG 3.25Å; I424-M428 WeakPolarHBondContact O-CG 3.43Å; I424-M428 PolarHBondContact O-N 3.38Å
425	T	80.2	Confident	76.7	Confident	88 Å²	88	102.5 Å²	102.5	54%	0.54	54%	0.541	S	S	.	.	H	α-helix	trans	-66.5	-40.6	179	-49.7	0	0	0	0	111.7	Q421 R422 V423 A429	Q421-T425 WeakPolarHBondContact O-CB 3.34Å; Q421-T425 PolarHBondContact O-N 2.96Å; Q421-T425 PolarHBondContact O-OG1 3.3Å; R422-T425 PolarHBondContact O-N 3.17Å; V423-T425 PolarHBondContact O-N 3.22Å; T425-A429 WeakPolarHBondContact O-CB 3.43Å; T425-A429 PolarHBondContact O-N 2.99Å
426	G	84.8	Confident	78.5	Confident	36 Å²	36	104 Å²	104	37%	0.371	54%	0.543	S	S	.	.	H	α-helix	trans	-66.2	-42.2	176.7	0	0	0	0	0	113.2	R422 V423 A429 L430	R422-G426 PolarHBondContact O-N 3.43Å; V423-G426 PolarHBondContact O-N 2.89Å; G426-A429 PolarHBondContact O-N 3.17Å; G426-L430 PolarHBondContact O-N 2.98Å; G426-L430 VanDerWaalsContact O-N 3.08Å
427	T	86.6	Confident	80.3	Confident	65 Å²	65	102.2 Å²	102.2	40%	0.399	53%	0.532	S	S	.	.	H	α-helix	trans	-67.8	-39.1	176.8	50.2	0	0	0	0	112.1	V423 I424 L430 L431	V423-T427 HydrophobicContact CG1-CG2 4.46Å; V423-T427 WeakPolarHBondContact O-CB 3.49Å; V423-T427 WeakPolarHBondContact O-CG2 2.91Å; V423-T427 PolarHBondContact O-N 3.13Å; V423-T427 PolarHBondContact O-OG1 3Å; I424-T427 WeakPolarHBondContact CA-OG1 3.44Å; I424-T427 PolarHBondContact O-N 2.89Å; I424-T427 PolarHBondContact O-OG1 2.95Å; T427-L430 PolarHBondContact O-N 3.18Å; T427-L431 WeakPolarHBondContact O-CG 3.19Å; T427-L431 PolarHBondContact O-N 3.05Å
428	M	87.5	Confident	82	Confident	92 Å²	92	103 Å²	103	45%	0.453	53%	0.527	S	S	.	.	H	α-helix	trans	-63.6	-40.4	173	-72.3	-60.5	110.8	0	0	112.4	I424 L431 F432	I424-M428 HydrophobicContact CG2-CG 4.41Å; I424-M428 WeakPolarHBondContact O-CB 3.41Å; I424-M428 VanDerWaalsContact O-CG 3.25Å; I424-M428 WeakPolarHBondContact O-CG 3.43Å; I424-M428 PolarHBondContact O-N 3.38Å; M428-L431 HydrophobicContact CE-CD1 3.62Å; M428-L431 PolarHBondContact O-N 3.21Å; M428-F432 WeakPolarHBondContact O-CB 3.44Å; M428-F432 WeakPolarHBondContact O-CD2 3.39Å; M428-F432 PolarHBondContact O-N 2.69Å
429	A	85.6	Confident	83.3	Confident	62 Å²	62	104.5 Å²	104.5	51%	0.512	53%	0.53	S	S	.	.	H	α-helix	trans	-63.6	-41.6	176.5	0	0	0	0	0	112.3	T425 G426 F432 S433	T425-A429 WeakPolarHBondContact O-CB 3.43Å; T425-A429 PolarHBondContact O-N 2.99Å; G426-A429 PolarHBondContact O-N 3.17Å; A429-F432 PolarHBondContact O-N 3.02Å; A429-S433 WeakPolarHBondContact O-CB 3.35Å; A429-S433 PolarHBondContact O-N 2.77Å; A429-S433 PolarHBondContact O-OG 3.39Å
430	L	88.1	Confident	84.5	Confident	123 Å²	123	101.5 Å²	101.5	64%	0.644	52%	0.52	S	S	*	.	H	α-helix	trans	-63.1	-45.3	174.9	-83.8	165.3	0	0	0	111.8	G426 T427 S433 F434	G426-L430 PolarHBondContact O-N 2.98Å; G426-L430 VanDerWaalsContact O-N 3.08Å; T427-L430 PolarHBondContact O-N 3.18Å; L430-S433 PolarHBondContact O-N 3.18Å; L430-S433 PolarHBondContact O-OG 3.4Å; L430-F434 WeakPolarHBondContact O-CB 3.22Å; L430-F434 PolarHBondContact O-N 3.35Å
431	L	90.2	Very high	85.2	Confident	81 Å²	81	100.8 Å²	100.8	42%	0.424	52%	0.515	S	S	.	.	H	α-helix	trans	-62.4	-44.4	176.6	-73.5	168.8	0	0	0	111.9	T427 M428 S433 F434 F435	T427-L431 WeakPolarHBondContact O-CG 3.19Å; T427-L431 PolarHBondContact O-N 3.05Å; M428-L431 HydrophobicContact CE-CD1 3.62Å; M428-L431 PolarHBondContact O-N 3.21Å; L431-S433 VanDerWaalsContact C-N 3.34Å; L431-S433 PolarHBondContact O-N 3.47Å; L431-F434 PolarHBondContact O-N 2.69Å; L431-F435 HydrophobicContact CD2-CE2 4.47Å; L431-F435 WeakPolarHBondContact O-CD2 3.34Å; L431-F435 PolarHBondContact O-N 2.78Å
432	F	88.8	Confident	85.8	Confident	160 Å²	160	99.8 Å²	99.8	70%	0.702	51%	0.509	S	S	*	.	H	α-helix	trans	-60.8	-42.5	175.6	-97.8	-78.8	0	0	0	112.1	M428 A429 F434 F435 F436	M428-F432 WeakPolarHBondContact O-CB 3.44Å; M428-F432 WeakPolarHBondContact O-CD2 3.39Å; M428-F432 PolarHBondContact O-N 2.69Å; A429-F432 PolarHBondContact O-N 3.02Å; F432-F434 VanDerWaalsContact C-N 3.34Å; F432-F434 PolarHBondContact O-N 3.41Å; F432-F435 PolarHBondContact O-N 3.38Å; F432-F436 VanDerWaalsContact O-CB 3.24Å; F432-F436 WeakPolarHBondContact O-CB 3.25Å; F432-F436 PolarHBondContact O-N 3.34Å
433	S	88.4	Confident	86.1	Confident	56 Å²	56	94.2 Å²	94.2	39%	0.392	49%	0.493	S	S	.	.	H	α-helix	trans	-63.1	-40.1	176.3	74.2	0	0	0	0	112.2	A429 L430 L431 F436 I437	A429-S433 WeakPolarHBondContact O-CB 3.35Å; A429-S433 PolarHBondContact O-N 2.77Å; A429-S433 PolarHBondContact O-OG 3.39Å; L430-S433 PolarHBondContact O-N 3.18Å; L430-S433 PolarHBondContact O-OG 3.4Å; L431-S433 VanDerWaalsContact C-N 3.34Å; L431-S433 PolarHBondContact O-N 3.47Å; S433-F436 PolarHBondContact O-N 2.79Å; S433-I437 VanDerWaalsContact O-CG1 3.27Å; S433-I437 WeakPolarHBondContact O-CG1 3.47Å; S433-I437 PolarHBondContact O-N 2.98Å
434	F	91.9	Very high	85.9	Confident	121 Å²	121	93.4 Å²	93.4	53%	0.531	49%	0.49	S	S	.	.	H	α-helix	trans	-65.6	-47.2	177.3	-179	-101.9	0	0	0	112.1	L430 L431 F432 F436 I437 I438	L430-F434 WeakPolarHBondContact O-CB 3.22Å; L430-F434 PolarHBondContact O-N 3.35Å; L431-F434 PolarHBondContact O-N 2.69Å; F432-F434 VanDerWaalsContact C-N 3.34Å; F432-F434 PolarHBondContact O-N 3.41Å; F434-F436 VanDerWaalsContact C-N 3.33Å; F434-F436 PolarHBondContact O-N 3.43Å; F434-I437 PolarHBondContact O-N 2.82Å; F434-I438 HydrophobicContact CD1-CD1 3.83Å; F434-I438 HydrophobicContact CE1-CD1 3.29Å; F434-I438 HydrophobicContact CE1-CG1 4.42Å; F434-I438 HydrophobicContact CE2-CD1 4.25Å; F434-I438 HydrophobicContact CZ-CD1 3.54Å; F434-I438 HydrophobicContact CZ-CG1 4.49Å; F434-I438 WeakPolarHBondContact O-CG1 3.39Å; F434-I438 PolarHBondContact O-N 2.67Å
435	F	90.2	Very high	85.5	Confident	127 Å²	127	97.9 Å²	97.9	56%	0.557	50%	0.501	S	S	*	.	H	α-helix	trans	-65.5	-35.7	176.4	-77.8	-66	0	0	0	112.5	L431 F432 I438 F439	L431-F435 HydrophobicContact CD2-CE2 4.47Å; L431-F435 WeakPolarHBondContact O-CD2 3.34Å; L431-F435 PolarHBondContact O-N 2.78Å; F432-F435 PolarHBondContact O-N 3.38Å; F435-I438 PolarHBondContact O-N 2.94Å; F435-F439 VanDerWaalsContact O-CB 3.29Å; F435-F439 WeakPolarHBondContact O-CB 3.34Å; F435-F439 PolarHBondContact O-N 3.35Å
436	F	90.2	Very high	85.1	Confident	137 Å²	137	101.1 Å²	101.1	60%	0.601	51%	0.507	S	S	*	.	H	α-helix	trans	-65.7	-41.9	176.3	-166.3	-104.5	0	0	0	111.8	F432 S433 F434 F439 I440	F432-F436 VanDerWaalsContact O-CB 3.24Å; F432-F436 WeakPolarHBondContact O-CB 3.25Å; F432-F436 PolarHBondContact O-N 3.34Å; S433-F436 PolarHBondContact O-N 2.79Å; F434-F436 VanDerWaalsContact C-N 3.33Å; F434-F436 PolarHBondContact O-N 3.43Å; F436-F439 PolarHBondContact O-N 3.01Å; F436-I440 HydrophobicContact CD1-CD1 3.71Å; F436-I440 HydrophobicContact CD1-CG1 4.49Å; F436-I440 HydrophobicContact CE1-CD1 3.46Å; F436-I440 VanDerWaalsContact CE1-CD1 3.46Å; F436-I440 HydrophobicContact CE1-CG1 4.36Å; F436-I440 HydrophobicContact CZ-CD1 4.17Å; F436-I440 WeakPolarHBondContact O-CG1 3.43Å; F436-I440 PolarHBondContact O-N 3.31Å
437	I	89.2	Confident	84	Confident	104 Å²	104	104.1 Å²	104.1	53%	0.533	52%	0.522	S	S	.	.	H	α-helix	trans	-62.7	-46.4	173.8	-67.8	165.7	0	0	0	110.7	S433 F434 F439 I440 V441	S433-I437 VanDerWaalsContact O-CG1 3.27Å; S433-I437 WeakPolarHBondContact O-CG1 3.47Å; S433-I437 PolarHBondContact O-N 2.98Å; F434-I437 PolarHBondContact O-N 2.82Å; I437-F439 VanDerWaalsContact C-N 3.3Å; I437-F439 PolarHBondContact O-N 3.16Å; I437-I440 PolarHBondContact O-N 3Å; I437-V441 HydrophobicContact CG2-CG2 4.44Å; I437-V441 WeakPolarHBondContact O-CG2 3.3Å; I437-V441 PolarHBondContact O-N 3.44Å
438	I	88.2	Confident	82.4	Confident	81 Å²	81	104.5 Å²	104.5	42%	0.415	53%	0.526	S	S	.	.	H	α-helix	trans	-60.6	-41	176.8	-70.6	178.3	0	0	0	111.1	F434 F435 V441 F442	F434-I438 HydrophobicContact CD1-CD1 3.83Å; F434-I438 HydrophobicContact CE1-CD1 3.29Å; F434-I438 HydrophobicContact CE1-CG1 4.42Å; F434-I438 HydrophobicContact CE2-CD1 4.25Å; F434-I438 HydrophobicContact CZ-CD1 3.54Å; F434-I438 HydrophobicContact CZ-CG1 4.49Å; F434-I438 WeakPolarHBondContact O-CG1 3.39Å; F434-I438 PolarHBondContact O-N 2.67Å; F435-I438 PolarHBondContact O-N 2.94Å; I438-V441 PolarHBondContact O-N 3.02Å; I438-F442 VanDerWaalsContact O-CB 3.29Å; I438-F442 WeakPolarHBondContact O-CB 3.05Å; I438-F442 PolarHBondContact O-N 3.47Å
439	F	87.9	Confident	80.6	Confident	122 Å²	122	103.1 Å²	103.1	54%	0.535	52%	0.524	S	S	.	.	H	α-helix	trans	-64.1	-42.3	177.9	-174.4	-108.1	0	0	0	111.9	F435 F436 I437 F442 I443	F435-F439 VanDerWaalsContact O-CB 3.29Å; F435-F439 WeakPolarHBondContact O-CB 3.34Å; F435-F439 PolarHBondContact O-N 3.35Å; F436-F439 PolarHBondContact O-N 3.01Å; I437-F439 VanDerWaalsContact C-N 3.3Å; I437-F439 PolarHBondContact O-N 3.16Å; F439-F442 PolarHBondContact O-N 3.14Å; F439-I443 HydrophobicContact CD1-CD1 3.85Å; F439-I443 HydrophobicContact CD1-CG1 4.49Å; F439-I443 HydrophobicContact CE1-CD1 3.26Å; F439-I443 HydrophobicContact CE1-CG1 4.24Å; F439-I443 HydrophobicContact CE2-CD1 4.08Å; F439-I443 HydrophobicContact CE2-CG1 4.41Å; F439-I443 HydrophobicContact CG-CD1 4.49Å; F439-I443 HydrophobicContact CZ-CD1 3.41Å; F439-I443 VanDerWaalsContact CZ-CD1 3.41Å; F439-I443 HydrophobicContact CZ-CG1 4.21Å; F439-I443 WeakPolarHBondContact O-CB 3.19Å; F439-I443 WeakPolarHBondContact O-CG1 3.37Å; F439-I443 PolarHBondContact O-N 2.64Å
440	I	84.1	Confident	78.9	Confident	88 Å²	88	105.9 Å²	105.9	45%	0.451	54%	0.537	S	S	.	.	H	α-helix	trans	-62.7	-43.7	173.2	-70.3	172.9	0	0	0	111	F436 I437 F442 I443 S444	F436-I440 HydrophobicContact CD1-CD1 3.71Å; F436-I440 HydrophobicContact CD1-CG1 4.49Å; F436-I440 HydrophobicContact CE1-CD1 3.46Å; F436-I440 VanDerWaalsContact CE1-CD1 3.46Å; F436-I440 HydrophobicContact CE1-CG1 4.36Å; F436-I440 HydrophobicContact CZ-CD1 4.17Å; F436-I440 WeakPolarHBondContact O-CG1 3.43Å; F436-I440 PolarHBondContact O-N 3.31Å; I437-I440 PolarHBondContact O-N 3Å; I440-F442 VanDerWaalsContact C-N 3.32Å; I440-F442 PolarHBondContact O-N 3.04Å; I440-I443 PolarHBondContact O-N 3.33Å; I440-S444 VanDerWaalsContact O-CB 3.31Å; I440-S444 WeakPolarHBondContact O-CB 3.29Å; I440-S444 PolarHBondContact O-N 3.2Å; I440-S444 PolarHBondContact O-OG 3Å
441	V	82.6	Confident	76.8	Confident	65 Å²	65	104.4 Å²	104.4	39%	0.394	53%	0.533	S	S	.	.	H	α-helix	trans	-64.5	-37.7	176.7	172.9	0	0	0	0	111.4	I437 I438 S444 R445	I437-V441 HydrophobicContact CG2-CG2 4.44Å; I437-V441 WeakPolarHBondContact O-CG2 3.3Å; I437-V441 PolarHBondContact O-N 3.44Å; I438-V441 PolarHBondContact O-N 3.02Å; V441-S444 VanDerWaalsContact CA-OG 3.24Å; V441-S444 WeakPolarHBondContact CA-OG 3.4Å; V441-S444 PolarHBondContact O-OG 3.22Å; V441-R445 WeakPolarHBondContact O-CB 3.25Å; V441-R445 WeakPolarHBondContact O-CG 3.22Å; V441-R445 PolarHBondContact O-N 3.03Å
442	F	84.2	Confident	74.7	Confident	116 Å²	116	105 Å²	105	51%	0.509	54%	0.537	S	S	.	.	H	α-helix	trans	-68.9	-47.1	177	-178.3	-99.8	0	0	0	111.6	I438 F439 I440 R445 K446	I438-F442 VanDerWaalsContact O-CB 3.29Å; I438-F442 WeakPolarHBondContact O-CB 3.05Å; I438-F442 PolarHBondContact O-N 3.47Å; F439-F442 PolarHBondContact O-N 3.14Å; I440-F442 VanDerWaalsContact C-N 3.32Å; I440-F442 PolarHBondContact O-N 3.04Å; F442-R445 PolarHBondContact O-N 2.82Å; F442-K446 HydrophobicContact CE1-CD 3.86Å; F442-K446 HydrophobicContact CZ-CD 3.91Å; F442-K446 WeakPolarHBondContact O-CB 3.4Å; F442-K446 PolarHBondContact O-N 3.29Å
443	I	80.8	Confident	72.7	Confident	72 Å²	72	107.6 Å²	107.6	37%	0.369	54%	0.541	S	S	.	.	H	α-helix	trans	-62.1	-44.6	175.7	-72.6	-173.7	0	0	0	110.6	F439 I440 R445 K446 C447	F439-I443 HydrophobicContact CD1-CD1 3.85Å; F439-I443 HydrophobicContact CD1-CG1 4.49Å; F439-I443 HydrophobicContact CE1-CD1 3.26Å; F439-I443 HydrophobicContact CE1-CG1 4.24Å; F439-I443 HydrophobicContact CE2-CD1 4.08Å; F439-I443 HydrophobicContact CE2-CG1 4.41Å; F439-I443 HydrophobicContact CG-CD1 4.49Å; F439-I443 HydrophobicContact CZ-CD1 3.41Å; F439-I443 VanDerWaalsContact CZ-CD1 3.41Å; F439-I443 HydrophobicContact CZ-CG1 4.21Å; F439-I443 WeakPolarHBondContact O-CB 3.19Å; F439-I443 WeakPolarHBondContact O-CG1 3.37Å; F439-I443 PolarHBondContact O-N 2.64Å; I440-I443 PolarHBondContact O-N 3.33Å; I443-R445 VanDerWaalsContact C-N 3.33Å; I443-R445 PolarHBondContact O-N 2.8Å; I443-K446 PolarHBondContact O-N 3.38Å; I443-C447 VanDerWaalsContact O-CB 3.28Å; I443-C447 WeakPolarHBondContact O-CB 3.37Å; I443-C447 PolarHBondContact O-N 3.45Å
444	S	75.2	Confident	70.5	Confident	65 Å²	65	114.4 Å²	114.4	46%	0.455	56%	0.558	S	S	.	*	H	α-helix	trans	-63.9	-36.7	177.6	52.2	0	0	0	0	112.3	I440 V441 C448	I440-S444 VanDerWaalsContact O-CB 3.31Å; I440-S444 WeakPolarHBondContact O-CB 3.29Å; I440-S444 PolarHBondContact O-N 3.2Å; I440-S444 PolarHBondContact O-OG 3Å; V441-S444 VanDerWaalsContact CA-OG 3.24Å; V441-S444 WeakPolarHBondContact CA-OG 3.4Å; V441-S444 PolarHBondContact O-OG 3.22Å; S444-C448 WeakPolarHBondContact O-CB 3.23Å; S444-C448 PolarHBondContact O-N 2.97Å; S444-C448 VanDerWaalsContact O-N 3.11Å
445	R	71.5	Confident	68.3	Low	194 Å²	194	114 Å²	114	73%	0.732	56%	0.561	S	S	*	*	H	α-helix	trans	-71.5	-30.7	172.7	-83.2	-176	150.6	143.5	-3.6	114.3	V441 F442 I443 C448	V441-R445 WeakPolarHBondContact O-CB 3.25Å; V441-R445 WeakPolarHBondContact O-CG 3.22Å; V441-R445 PolarHBondContact O-N 3.03Å; F442-R445 PolarHBondContact O-N 2.82Å; I443-R445 VanDerWaalsContact C-N 3.33Å; I443-R445 PolarHBondContact O-N 2.8Å; R445-C448 CarbonylContact O-C 3.5Å
446	K	72.2	Confident	66	Low	156 Å²	156	116.7 Å²	116.7	68%	0.678	57%	0.567	S	S	*	*	H	α-helix	trans	-86.7	-35.3	-177.9	-142.2	-175.3	-172.4	-176.5	0	112.7	F442 I443	F442-K446 HydrophobicContact CE1-CD 3.86Å; F442-K446 HydrophobicContact CZ-CD 3.91Å; F442-K446 WeakPolarHBondContact O-CB 3.4Å; F442-K446 PolarHBondContact O-N 3.29Å; I443-K446 PolarHBondContact O-N 3.38Å
447	C	60	Low	63.9	Low	99 Å²	99	116.5 Å²	116.5	67%	0.669	57%	0.568	S	S	*	*	H	α-helix	trans	-78.9	-24.5	174.2	-71.5	0	0	0	0	112.7	I443	I443-C447 VanDerWaalsContact O-CB 3.28Å; I443-C447 WeakPolarHBondContact O-CB 3.37Å; I443-C447 PolarHBondContact O-N 3.45Å
448	C	53.4	Low	61.7	Low	74 Å²	74	115.4 Å²	115.4	50%	0.5	57%	0.569	S	S	.	*	S	Bend	trans	-123.8	82.2	173.3	-67	0	0	0	0	110.4	S444 R445 L452	S444-C448 WeakPolarHBondContact O-CB 3.23Å; S444-C448 PolarHBondContact O-N 2.97Å; S444-C448 VanDerWaalsContact O-N 3.11Å; R445-C448 CarbonylContact O-C 3.5Å; C448-L452 HydrophobicContact CB-CD1 4.37Å
449	P	50.2	Low	59.8	Low	63 Å²	63	114.3 Å²	114.3	41%	0.409	57%	0.568	S	S	.	*			trans	-58	155.1	169.3	23.6	-29.6	0	0	0	109.8	T451	P449-T451 PolarHBondContact O-N 3.11Å; P449-T451 PolarHBondContact O-OG1 2.97Å
450	P	50.1	Low	58	Low	120 Å²	120	114.1 Å²	114.1	78%	0.779	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	19.9	-174.5	27.3	-33.6	0	0	0	114.7	L452	P450-L452 VanDerWaalsContact C-N 3.26Å; P450-L452 PolarHBondContact O-N 2.91Å
451	T	43.8	Very low	56.7	Low	91 Å²	91	113.8 Å²	113.8	56%	0.558	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-10.6	174.9	48	0	0	0	0	113.5	P449 R453 R454	P449-T451 PolarHBondContact O-N 3.11Å; P449-T451 PolarHBondContact O-OG1 2.97Å; T451-R453 PolarHBondContact O-N 3.05Å; T451-R454 PolarHBondContact O-N 3.36Å; T451-R454 VanDerWaalsContact O-N 3.16Å
452	L	46.2	Very low	55.3	Low	95 Å²	95	117.3 Å²	117.3	50%	0.497	58%	0.584	S	S	.	*	H	α-helix	trans	-68.9	-11	173.9	-85.9	157.7	0	0	0	114.7	C448 P450 I455 R456	C448-L452 HydrophobicContact CB-CD1 4.37Å; P450-L452 VanDerWaalsContact C-N 3.26Å; P450-L452 PolarHBondContact O-N 2.91Å; L452-I455 HydrophobicContact CD2-CD1 4.37Å; L452-R456 PolarHBondContact O-N 2.73Å
453	R	46.9	Very low	54	Low	213 Å²	213	116.3 Å²	116.3	80%	0.804	59%	0.585	S	S	*	*	H	α-helix	trans	-71.8	-29	168.8	-82.7	-175	179.3	-178.1	-0.7	113.1	T451 Q457	T451-R453 PolarHBondContact O-N 3.05Å; R453-Q457 PolarHBondContact O-N 2.73Å
454	R	41.4	Very low	53.1	Low	199 Å²	199	119.3 Å²	119.3	75%	0.751	60%	0.597	S	S	*	*	H	α-helix	trans	-78.4	-30.3	175.8	-88.4	-174.1	175	-175.2	-0.9	113.3	T451 Q457 C458	T451-R454 PolarHBondContact O-N 3.36Å; T451-R454 VanDerWaalsContact O-N 3.16Å; R454-Q457 PolarHBondContact O-N 2.9Å; R454-C458 PolarHBondContact O-N 2.53Å; R454-C458 PolarHBondContact O-SG 3.02Å
455	I	45.9	Very low	52.2	Low	112 Å²	112	125.3 Å²	125.3	57%	0.574	61%	0.609	S	S	*	*	H	α-helix	trans	-74.7	-36.4	178.3	-60.3	174.8	0	0	0	110.9	L452 C458 S459	L452-I455 HydrophobicContact CD2-CD1 4.37Å; I455-C458 PolarHBondContact O-N 2.92Å; I455-S459 PolarHBondContact O-N 2.97Å
456	R	42.6	Very low	51.7	Low	185 Å²	185	122 Å²	122	70%	0.698	60%	0.602	S	S	*	*	H	α-helix	trans	-66.1	-36.1	171.2	-80.8	-173.9	176.3	179.9	-0.9	113	L452 M460	L452-R456 PolarHBondContact O-N 2.73Å; R456-M460 WeakPolarHBondContact O-CG 3.45Å; R456-M460 PolarHBondContact O-N 3.18Å; R456-M460 VanDerWaalsContact O-N 3.16Å
457	Q	45.8	Very low	51.4	Low	133 Å²	133	119.9 Å²	119.9	62%	0.621	60%	0.598	S	S	*	*	H	α-helix	trans	-70.2	-37.3	173.2	-87.3	178.7	-29.8	0	0	112.6	R453 R454 V461	R453-Q457 PolarHBondContact O-N 2.73Å; R454-Q457 PolarHBondContact O-N 2.9Å; Q457-V461 VanDerWaalsContact O-CG2 3.27Å; Q457-V461 WeakPolarHBondContact O-CG2 3.45Å; Q457-V461 PolarHBondContact O-N 2.95Å; Q457-V461 VanDerWaalsContact O-N 3.07Å
458	C	43.7	Very low	51.2	Low	81 Å²	81	123.8 Å²	123.8	55%	0.547	60%	0.599	S	S	.	*	H	α-helix	trans	-68.7	-37.5	176.6	-69.9	0	0	0	0	112.6	R454 I455 V461 Q462	R454-C458 PolarHBondContact O-N 2.53Å; R454-C458 PolarHBondContact O-SG 3.02Å; I455-C458 PolarHBondContact O-N 2.92Å; C458-V461 PolarHBondContact O-N 3.5Å; C458-Q462 WeakPolarHBondContact O-CB 3.45Å; C458-Q462 PolarHBondContact O-N 2.81Å
459	S	46.7	Very low	51.3	Low	58 Å²	58	123 Å²	123	41%	0.406	59%	0.594	S	S	.	*	H	α-helix	trans	-71.7	-34.6	177	87.6	0	0	0	0	112.7	I455 Q462 N463	I455-S459 PolarHBondContact O-N 2.97Å; S459-Q462 PolarHBondContact O-N 3.21Å; S459-N463 WeakPolarHBondContact O-CB 3.28Å; S459-N463 PolarHBondContact O-N 2.76Å
460	M	50.4	Low	51.7	Low	118 Å²	118	126.6 Å²	126.6	58%	0.581	61%	0.605	S	S	*	*	H	α-helix	trans	-66	-40.6	172.8	-72.9	-174.9	-153.2	0	0	112.2	R456 H464	R456-M460 WeakPolarHBondContact O-CG 3.45Å; R456-M460 PolarHBondContact O-N 3.18Å; R456-M460 VanDerWaalsContact O-N 3.16Å; M460-H464 WeakPolarHBondContact O-CB 3.48Å; M460-H464 PolarHBondContact O-N 3.43Å
461	V	56.8	Low	51.9	Low	81 Å²	81	124.6 Å²	124.6	49%	0.491	59%	0.591	S	S	.	*	H	α-helix	trans	-70	-35.8	177.7	174.1	0	0	0	0	111.6	Q457 C458 R465	Q457-V461 VanDerWaalsContact O-CG2 3.27Å; Q457-V461 WeakPolarHBondContact O-CG2 3.45Å; Q457-V461 PolarHBondContact O-N 2.95Å; Q457-V461 VanDerWaalsContact O-N 3.07Å; C458-V461 PolarHBondContact O-N 3.5Å; V461-R465 WeakPolarHBondContact O-CG 3.35Å; V461-R465 PolarHBondContact O-N 2.93Å; V461-R465 VanDerWaalsContact O-N 3.09Å
462	Q	54.4	Low	52.4	Low	138 Å²	138	129.4 Å²	129.4	65%	0.645	60%	0.599	S	S	*	*	H	α-helix	trans	-68.7	-43.8	173.2	-96.8	179.8	-37.4	0	0	112.3	C458 S459 H464 R465 Q466	C458-Q462 WeakPolarHBondContact O-CB 3.45Å; C458-Q462 PolarHBondContact O-N 2.81Å; S459-Q462 PolarHBondContact O-N 3.21Å; Q462-H464 PolarHBondContact O-N 3.46Å; Q462-R465 PolarHBondContact O-N 2.84Å; Q462-Q466 PolarHBondContact O-N 2.83Å
463	N	56.4	Low	52.7	Low	96 Å²	96	130.7 Å²	130.7	51%	0.513	61%	0.606	S	S	.	*	H	α-helix	trans	-63.4	-39.3	176	-85.3	-5.7	0	0	0	112	S459 R465 Q466 L467	S459-N463 WeakPolarHBondContact O-CB 3.28Å; S459-N463 PolarHBondContact O-N 2.76Å; N463-R465 VanDerWaalsContact C-N 3.35Å; N463-R465 PolarHBondContact O-N 3.18Å; N463-Q466 PolarHBondContact O-N 2.79Å; N463-L467 PolarHBondContact O-N 3.32Å
464	H	61	Low	52.9	Low	134 Å²	134	127.8 Å²	127.8	62%	0.62	60%	0.601	S	S	*	*	H	α-helix	trans	-66.1	-33.4	174.1	-98.7	-64.8	0	0	0	113.4	M460 Q462 R468	M460-H464 WeakPolarHBondContact O-CB 3.48Å; M460-H464 PolarHBondContact O-N 3.43Å; Q462-H464 PolarHBondContact O-N 3.46Å; H464-R468 WeakPolarHBondContact O-CB 3.23Å; H464-R468 PolarHBondContact O-N 3.4Å; H464-R468 VanDerWaalsContact O-N 3.14Å
465	R	56.4	Low	53.2	Low	191 Å²	191	125 Å²	125	72%	0.721	60%	0.598	S	S	*	*	H	α-helix	trans	-71.9	-39.3	173.6	-78.5	-178.1	177.9	-179.6	-0.1	112.1	V461 Q462 N463 R468 S469	V461-R465 WeakPolarHBondContact O-CG 3.35Å; V461-R465 PolarHBondContact O-N 2.93Å; V461-R465 VanDerWaalsContact O-N 3.09Å; Q462-R465 PolarHBondContact O-N 2.84Å; N463-R465 VanDerWaalsContact C-N 3.35Å; N463-R465 PolarHBondContact O-N 3.18Å; R465-R468 PolarHBondContact O-N 3.43Å; R465-S469 PolarHBondContact O-N 3.43Å
466	Q	62.1	Low	53.3	Low	125 Å²	125	123.2 Å²	123.2	58%	0.584	60%	0.595	S	S	*	*	H	α-helix	trans	-66.4	-44.1	175.6	-109.5	178.5	-16.6	0	0	111.9	Q462 N463 R468 S469 Q470	Q462-Q466 PolarHBondContact O-N 2.83Å; N463-Q466 PolarHBondContact O-N 2.79Å; Q466-R468 PolarHBondContact O-N 3.45Å; Q466-S469 PolarHBondContact O-N 2.87Å; Q466-S469 PolarHBondContact O-OG 2.88Å; Q466-Q470 PolarHBondContact O-N 2.94Å
467	L	65.1	Low	53.5	Low	111 Å²	111	121.6 Å²	121.6	58%	0.581	60%	0.6	S	S	*	*	H	α-helix	trans	-59.1	-48.2	174.3	-108.9	93.7	0	0	0	111.5	N463 S469 Q470 T471	N463-L467 PolarHBondContact O-N 3.32Å; L467-S469 VanDerWaalsContact C-N 3.26Å; L467-S469 PolarHBondContact O-N 3.46Å; L467-Q470 PolarHBondContact O-N 3.38Å; L467-Q470 VanDerWaalsContact O-N 3.14Å; L467-T471 PolarHBondContact O-N 3.41Å; L467-T471 PolarHBondContact O-OG1 2.81Å
468	R	56.3	Low	53.5	Low	182 Å²	182	123.4 Å²	123.4	69%	0.687	61%	0.611	S	S	*	*	H	α-helix	trans	-61.9	-31	178	-82.1	-175.8	172	-177.1	-0.9	113.3	H464 R465 Q466 R472	H464-R468 WeakPolarHBondContact O-CB 3.23Å; H464-R468 PolarHBondContact O-N 3.4Å; H464-R468 VanDerWaalsContact O-N 3.14Å; R465-R468 PolarHBondContact O-N 3.43Å; Q466-R468 PolarHBondContact O-N 3.45Å; R468-R472 PolarHBondContact O-N 3.43Å
469	S	55.3	Low	53.6	Low	58 Å²	58	124 Å²	124	41%	0.406	62%	0.616	S	S	.	*	H	α-helix	trans	-72.4	-36.9	174.9	70.8	0	0	0	0	112.6	R465 Q466 L467 L473	R465-S469 PolarHBondContact O-N 3.43Å; Q466-S469 PolarHBondContact O-N 2.87Å; Q466-S469 PolarHBondContact O-OG 2.88Å; L467-S469 VanDerWaalsContact C-N 3.26Å; L467-S469 PolarHBondContact O-N 3.46Å; S469-L473 PolarHBondContact O-N 3.1Å
470	Q	57.8	Low	53.1	Low	138 Å²	138	129.4 Å²	129.4	65%	0.645	64%	0.64	S	S	*	*	H	α-helix	trans	-72.1	-35.6	174.9	-76.7	-177.7	-14	0	0	112.4	Q466 L467 R472 L473 H474	Q466-Q470 PolarHBondContact O-N 2.94Å; L467-Q470 PolarHBondContact O-N 3.38Å; L467-Q470 VanDerWaalsContact O-N 3.14Å; Q470-R472 PolarHBondContact O-N 3.14Å; Q470-L473 PolarHBondContact O-N 3.43Å; Q470-H474 PolarHBondContact O-N 3.28Å
471	T	55.9	Low	52.4	Low	78 Å²	78	133.2 Å²	133.2	48%	0.479	66%	0.657	S	S	.	*	H	α-helix	trans	-67.7	-34	175.4	-12.2	0	0	0	0	112.3	L467 H474 M475	L467-T471 PolarHBondContact O-N 3.41Å; L467-T471 PolarHBondContact O-OG1 2.81Å; T471-H474 PolarHBondContact O-N 3.03Å; T471-M475 PolarHBondContact O-N 2.97Å
472	R	52.6	Low	51.3	Low	192 Å²	192	132.8 Å²	132.8	73%	0.725	67%	0.668	S	S	*	*	H	α-helix	trans	-71.1	-32.8	174.7	-76.4	-174.4	-170.9	-179.7	1.4	113.4	R468 Q470 H474 S476	R468-R472 PolarHBondContact O-N 3.43Å; Q470-R472 PolarHBondContact O-N 3.14Å; R472-H474 VanDerWaalsContact C-N 3.35Å; R472-S476 PolarHBondContact O-N 2.76Å; R472-S476 PolarHBondContact O-OG 3.39Å
473	L	53.3	Low	50.5	Low	122 Å²	122	132 Å²	132	64%	0.639	68%	0.675	S	S	*	*	H	α-helix	trans	-73	-26.1	173.1	-86	155.4	0	0	0	112.7	S469 Q470 S476	S469-L473 PolarHBondContact O-N 3.1Å; Q470-L473 PolarHBondContact O-N 3.43Å; L473-S476 PolarHBondContact O-OG 3.34Å
474	H	50.1	Low	49.4	Very low	151 Å²	151	137.6 Å²	137.6	70%	0.699	69%	0.691	S	S	*	*	H	α-helix	trans	-82.8	-32.3	173	-118.9	43.4	0	0	0	113.5	Q470 T471 R472	Q470-H474 PolarHBondContact O-N 3.28Å; T471-H474 PolarHBondContact O-N 3.03Å; R472-H474 VanDerWaalsContact C-N 3.35Å
475	M	48.4	Very low	48.3	Very low	142 Å²	142	139.1 Å²	139.1	70%	0.7	70%	0.703	S	S	*	*	H	α-helix	trans	-77.3	-24.5	176.5	-82.2	-178.5	149	0	0	114.3	T471 N477 S479	T471-M475 PolarHBondContact O-N 2.97Å; M475-N477 VanDerWaalsContact C-N 3.31Å; M475-S479 PolarHBondContact O-OG 3.42Å; M475-S479 VanDerWaalsContact O-OG 3.13Å
476	S	48.1	Very low	47.1	Very low	74 Å²	74	138.6 Å²	138.6	52%	0.517	71%	0.709	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.7	-14.3	175.8	42	0	0	0	0	113.9	R472 L473	R472-S476 PolarHBondContact O-N 2.76Å; R472-S476 PolarHBondContact O-OG 3.39Å; L473-S476 PolarHBondContact O-OG 3.34Å
477	N	46.1	Very low	45.7	Very low	150 Å²	150	144 Å²	144	80%	0.802	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	2.9	175.8	-107.3	6.9	0	0	0	114.1	M475	M475-N477 VanDerWaalsContact C-N 3.31Å
478	M	47.2	Very low	44.1	Very low	172 Å²	172	147 Å²	147	85%	0.847	74%	0.737	S	S	*	*	S	Bend	trans	-114.7	6.4	-178.5	-95.3	-176.3	170.4	0	0	114.4
479	S	44.7	Very low	43.3	Very low	94 Å²	94	142.9 Å²	142.9	66%	0.657	73%	0.734	S	S	*	*			trans	-114.7	7.4	-171.8	23.8	0	0	0	0	116.6	M475	M475-S479 PolarHBondContact O-OG 3.42Å; M475-S479 VanDerWaalsContact O-OG 3.13Å
480	D	37.1	Very low	42.4	Very low	170 Å²	170	145.5 Å²	145.5	91%	0.909	75%	0.747	S	S	*	*			trans	-106.2	91.5	169.1	-105.7	-19.5	0	0	0	110.6
481	Q	34.7	Very low	41.3	Very low	199 Å²	199	147.1 Å²	147.1	93%	0.93	76%	0.755	S	S	*	*			trans	-124.1	111.2	159.9	-81.1	-168.5	-11.6	0	0	108.2
482	G	34.8	Very low	40.4	Very low	71 Å²	71	152.7 Å²	152.7	73%	0.732	78%	0.775	S	S	*	*			trans	-141.5	146	168.9	0	0	0	0	0	109.9
483	P	37.6	Very low	39.5	Very low	121 Å²	121	146.9 Å²	146.9	79%	0.786	78%	0.775	S	S	*	*			trans	-99	151.6	-134.6	35.8	-34.2	0	0	0	116.7
484	Y	33.8	Very low	38.9	Very low	214 Å²	214	146.3 Å²	146.3	84%	0.839	78%	0.779	S	S	*	*			trans	28.7	127.6	147.7	-73.1	-91	0	0	0	121.4
485	N	37.8	Very low	38.2	Very low	166 Å²	166	147.4 Å²	147.4	89%	0.888	78%	0.782	S	S	*	*				-170.2	129.7	120.5	-88.3	-25.3	0	0	0	111.4
486	E	30	Very low	37.6	Very low	181 Å²	181	148.4 Å²	148.4	85%	0.846	79%	0.789	S	S	*	*			trans	-66.3	144.6	173.1	-80.6	162.6	126.3	0	0	112.7
487	Y	32.9	Very low	36.9	Very low	237 Å²	237	150.3 Å²	150.3	93%	0.929	79%	0.791	S	S	*	*			trans	-170.5	113.7	138.1	-112.5	-82.8	0	0	0	109.4
488	E	32.8	Very low	36.6	Very low	175 Å²	175	151.4 Å²	151.4	82%	0.818	80%	0.796	S	S	*	*			trans	-85.6	174.9	161.3	-126	-174.3	176.2	0	0	108.2
489	P	39.1	Very low	35.9	Very low	95 Å²	95	148.9 Å²	148.9	62%	0.617	79%	0.785	S	S	*	*			cis	-149.1	-171.9	5.1	36.6	-11.6	0	0	0	117.3
490	T	35.3	Very low	35.4	Very low	113 Å²	113	148.1 Å²	148.1	69%	0.693	79%	0.792	S	S	*	*			trans	84.7	113.7	145.4	54.6	0	0	0	0	123.4
491	H	36.1	Very low	35.2	Very low	173 Å²	173	150.4 Å²	150.4	80%	0.801	79%	0.79	S	S	*	*			trans	58.7	119.1	131.4	-68.9	-75.8	0	0	0	122
492	E	36.6	Very low	35.1	Very low	194 Å²	194	144.7 Å²	144.7	91%	0.907	78%	0.784	S	S	*	*				171.2	129.9	108.2	-88.5	-176.8	175.8	0	0	110.7
493	G	32.4	Very low	34.8	Very low	70 Å²	70	150.7 Å²	150.7	72%	0.722	79%	0.793	S	S	*	*			trans	-97	-147.1	170.1	0	0	0	0	0	111.1
494	P	42.4	Very low	34.3	Very low	110 Å²	110	151.5 Å²	151.5	71%	0.714	80%	0.8	S	S	*	*			cis	-141.1	-148.6	-21.2	39.7	-18.5	0	0	0	112.5
495	F	34.1	Very low	34.2	Very low	174 Å²	174	150.6 Å²	150.6	76%	0.763	80%	0.801	S	S	*	*			trans	94.8	124.1	176.7	-61.4	-80	0	0	0	114.4
496	I	35.8	Very low	33.6	Very low	164 Å²	164	149.1 Å²	149.1	84%	0.841	80%	0.802	S	S	*	*			cis	-149	147	48.2	-71.2	171.2	0	0	0	111.9
497	I	34.2	Very low	33.8	Very low	113 Å²	113	148.8 Å²	148.8	58%	0.579	80%	0.8	S	S	*	*			trans	-87.6	151.2	-173.5	-64.4	153.7	0	0	0	111.2
498	I	38.5	Very low	33.8	Very low	173 Å²	173	146.8 Å²	146.8	89%	0.887	80%	0.799	S	S	*	*				-161.6	127.5	124.6	-87.3	146.8	0	0	0	110.9
499	N	33.5	Very low	33.9	Very low	119 Å²	119	145 Å²	145	64%	0.636	80%	0.795	S	S	*	*			trans	-58.5	155.2	-171.7	-74.6	-30.2	0	0	0	118.9
500	G	34.8	Very low	33.8	Very low	78 Å²	78	146 Å²	146	80%	0.804	80%	0.801	S	S	*	*			trans	-175.8	73.4	156.6	0	0	0	0	0	111.8
501	Y	33.1	Very low	33.9	Very low	219 Å²	219	150.2 Å²	150.2	86%	0.859	81%	0.806	S	S	*	*			trans	-63.3	150.4	-172.9	-85.6	-104	0	0	0	115.5
502	G	32.3	Very low	33.9	Very low	78 Å²	78	151.5 Å²	151.5	80%	0.804	81%	0.809	S	S	*	*			trans	162.3	69.1	157.3	0	0	0	0	0	115.9
503	Q	27.6	Very low	33.9	Very low	198 Å²	198	150.1 Å²	150.1	93%	0.925	80%	0.802	S	S	*	*			trans	-70.5	139.3	167.2	-77.2	177.3	-20.1	0	0	111.3
504	C	27.7	Very low	34.1	Very low	137 Å²	137	152.8 Å²	152.8	93%	0.926	81%	0.809	S	S	*	*			trans	-135.8	138.4	154.4	-116	0	0	0	0	111
505	K	32.4	Very low	33.6	Very low	196 Å²	196	156.7 Å²	156.7	85%	0.852	82%	0.818	S	S	*	*			trans	-74	149.7	-159.1	-69.3	168.3	169.9	173.1	0	114.3
506	C	24.2	Very low	34.1	Very low	135 Å²	135	158.8 Å²	158.8	91%	0.912	84%	0.844	S	S	*	*			trans	-62.7	128.6	151.9	-67.7	0	0	0	0	110
507	Q	33.9	Very low	34	Very low	174 Å²	174	158.6 Å²	158.6	81%	0.813	84%	0.844	S	S	*	*			trans	-126.7	119.2	157.1	-88.3	-178.5	-31.4	0	0	108.6
508	Q	33.3	Very low	34	Very low	194 Å²	194	160.9 Å²	160.9	91%	0.907	86%	0.858	S	S	*	*			trans	-62.7	137.5	156.1	-76.6	171.4	-42	0	0	109
509	L	33.9	Very low	33.8	Very low	139 Å²	139	160.3 Å²	160.3	73%	0.728	86%	0.857	S	S	*	*			trans	-156.3	131.6	149.8	-100	153.5	0	0	0	107.8
510	P	37.3	Very low	33.8	Very low	116 Å²	116	162.7 Å²	162.7	75%	0.753	87%	0.87	S	S	*	*			trans	-88.7	132.9	174.4	33.7	-26.5	0	0	0	109.3
511	Y	38.5	Very low	33.7	Very low	200 Å²	200	168 Å²	168	78%	0.784	87%	0.874	S	S	*	*			trans	-109.5	118	166	-96.7	-90.1	0	0	0	110.8
512	K	34.8	Very low	33.8	Very low	200 Å²	200	164.6 Å²	164.6	87%	0.87	88%	0.875	S	S	*	*			trans	-111.2	114.1	172	-171.6	-173.3	-173.5	-173.2	0	104.4
513	E	38.1	Very low	33.9	Very low	165 Å²	165	170.8 Å²	170.8	77%	0.771	88%	0.88	S	S	*	*			trans	-134.6	102.8	164	-75.2	-178.6	167.1	0	0	104.7
514	C	36.7	Very low	34.3	Very low	126 Å²	126	168.7 Å²	168.7	85%	0.851	88%	0.876	S	S	*	*				70.5	117.8	87.1	-75.1	0	0	0	0	112.6
515	E	30.9	Very low	34.9	Very low	193 Å²	193	171.3 Å²	171.3	90%	0.902	87%	0.872	S	S	*	*			trans	-60.4	141.1	178.9	-66.2	165.8	139.9	0	0	113.1
516	V	44.8	Very low	35.1	Very low	218 Å²	218	169.1 Å²	169.1	100%	1.321	87%	0.874	S	S	*	*				-136.9	0	111.9	-178	0	0	0	0	107.9

Retrieved 516 of 516 residues in 250 ms (Link to these results)

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