A0A077ZGG9_TRITR Loading...

Glyco hydro 31 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGG9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 476 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	96.8	Very high	98.3	Very high	150 Å²	150	111.8 Å²	111.8	74%	0.739	57%	0.566	S	S	*	*				0	151.5	0	-67	179.6	-76.6	0	0	108.2	F3 V14 L15	M1-F3 HydrophobicContact CB-CD1 4.32Å; M1-F3 HydrophobicContact CB-CE1 4.08Å; M1-F3 HydrophobicContact SD-CE1 3.98Å; M1-F3 HydrophobicContact SD-CZ 4.4Å; M1-V14 CarbonylContact C-O 3.59Å; M1-V14 WeakPolarHBondContact CA-O 3.28Å; M1-L15 HydrophobicContact CG-CD2 4.28Å; M1-L15 HydrophobicContact CG-CG 4.2Å; M1-L15 HydrophobicContact SD-CD2 4.1Å
2	N	98.5	Very high	98.4	Very high	102 Å²	102	111.3 Å²	111.3	55%	0.545	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.3	125	166.9	-173.6	-7.4	0	0	0	108.2	V14	N2-V14 HydrophobicContact CB-CB 4.26Å; N2-V14 PolarHBondContact N-O 3.01Å; N2-V14 PolarHBondContact O-N 3.22Å
3	F	98.5	Very high	98.4	Very high	103 Å²	103	107.5 Å²	107.5	45%	0.452	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	105.7	179.3	-77.2	22.8	0	0	0	107.2	M1 F5 L13	M1-F3 HydrophobicContact CB-CD1 4.32Å; M1-F3 HydrophobicContact CB-CE1 4.08Å; M1-F3 HydrophobicContact SD-CE1 3.98Å; M1-F3 HydrophobicContact SD-CZ 4.4Å; F3-F5 HydrophobicContact CB-CE2 3.8Å; F3-F5 HydrophobicContact CB-CZ 3.84Å; F3-F5 HydrophobicContact CD2-CZ 4.02Å; F3-F5 HydrophobicContact CG-CZ 4.44Å; F3-L13 HydrophobicContact CB-CD2 4.03Å; F3-L13 HydrophobicContact CD1-CB 4.4Å; F3-L13 HydrophobicContact CD1-CD2 3.67Å; F3-L13 HydrophobicContact CD2-CD2 3.8Å; F3-L13 HydrophobicContact CE1-CB 4.36Å; F3-L13 HydrophobicContact CE1-CD2 4.01Å; F3-L13 HydrophobicContact CE2-CD2 4.12Å; F3-L13 HydrophobicContact CG-CD2 3.56Å; F3-L13 HydrophobicContact CZ-CD1 4.49Å; F3-L13 HydrophobicContact CZ-CD2 4.22Å
4	D	98.6	Very high	98.4	Very high	63 Å²	63	103.9 Å²	103.9	34%	0.337	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.2	-177.8	-169.3	-13.3	0	0	0	110.8	S6 H11 E12	D4-S6 WeakPolarHBondContact OD1-CB 3.48Å; D4-S6 PolarHBondContact OD1-N 3.49Å; D4-S6 PolarHBondContact OD1-OG 2.68Å; D4-S6 PolarHBondContact OD2-OG 3.14Å; D4-H11 WeakPolarHBondContact O-CA 3.28Å; D4-E12 HydrophobicContact CB-CB 4.44Å; D4-E12 PolarHBondContact N-O 2.61Å; D4-E12 PolarHBondContact O-N 3.21Å; D4-E12 VanDerWaalsContact O-N 3.1Å
5	F	98.3	Very high	98.4	Very high	129 Å²	129	101.3 Å²	101.3	57%	0.566	52%	0.516	S	S	*	.			trans	-111	16.2	179	-54.1	-70.1	0	0	0	112.7	F3 H11	F3-F5 HydrophobicContact CB-CE2 3.8Å; F3-F5 HydrophobicContact CB-CZ 3.84Å; F3-F5 HydrophobicContact CD2-CZ 4.02Å; F3-F5 HydrophobicContact CG-CZ 4.44Å; F5-H11 HydrophobicContact CD1-CB 4.07Å; F5-H11 AromaticContact CD1-CG 3.7Å; F5-H11 AromaticContact CD1-ND1 3.8Å; F5-H11 HydrophobicContact CE1-CB 4.31Å
6	S	98.4	Very high	98.4	Very high	95 Å²	95	109.6 Å²	109.6	66%	0.664	54%	0.538	S	S	*	.			trans	-76.8	-25.1	-175.5	65.2	0	0	0	0	114.2	D4	D4-S6 WeakPolarHBondContact OD1-CB 3.48Å; D4-S6 PolarHBondContact OD1-N 3.49Å; D4-S6 PolarHBondContact OD1-OG 2.68Å; D4-S6 PolarHBondContact OD2-OG 3.14Å
7	A	98.5	Very high	98.4	Very high	19 Å²	19	108.8 Å²	108.8	16%	0.157	53%	0.533	C	S	.	.	S	Bend	trans	-82.4	138.1	-178.1	0	0	0	0	0	111.9	E9 Y10	A7-E9 PolarHBondContact O-N 3.02Å; A7-Y10 HydrophobicContact CB-CD1 4.06Å; A7-Y10 HydrophobicContact CB-CD2 4.04Å; A7-Y10 HydrophobicContact CB-CE1 3.77Å; A7-Y10 HydrophobicContact CB-CE2 3.75Å; A7-Y10 HydrophobicContact CB-CG 4.19Å
8	P	98.1	Very high	98.3	Very high	123 Å²	123	111.5 Å²	111.5	80%	0.799	55%	0.55	S	S	*	*	S	Bend	trans	-66	-33.1	-179.9	-23.5	33.8	0	0	0	114.9
9	E	98.6	Very high	98.3	Very high	176 Å²	176	113.1 Å²	113.1	82%	0.822	55%	0.554	S	S	*	*	S	Bend	trans	-105.2	-8.8	-167	-59.3	-59.8	141.4	0	0	113.9	A7	A7-E9 PolarHBondContact O-N 3.02Å
10	Y	98.5	Very high	98.3	Very high	146 Å²	146	110.1 Å²	110.1	57%	0.573	55%	0.548	S	S	*	.			trans	-156.3	164	-177.9	62.2	-92.3	0	0	0	112	A7 E12	A7-Y10 HydrophobicContact CB-CD1 4.06Å; A7-Y10 HydrophobicContact CB-CD2 4.04Å; A7-Y10 HydrophobicContact CB-CE1 3.77Å; A7-Y10 HydrophobicContact CB-CE2 3.75Å; A7-Y10 HydrophobicContact CB-CG 4.19Å; Y10-E12 HydrophobicContact CD2-CB 4.5Å; Y10-E12 HydrophobicContact CE2-CB 4.44Å
11	H	98.8	Very high	98.3	Very high	124 Å²	124	110.9 Å²	110.9	57%	0.574	56%	0.559	S	S	*	*			trans	-117.7	135.8	168.6	-53.7	-30.7	0	0	0	107.9	D4 F5	D4-H11 WeakPolarHBondContact O-CA 3.28Å; F5-H11 HydrophobicContact CD1-CB 4.07Å; F5-H11 AromaticContact CD1-CG 3.7Å; F5-H11 AromaticContact CD1-ND1 3.8Å; F5-H11 HydrophobicContact CE1-CB 4.31Å
12	E	98.6	Very high	98.4	Very high	106 Å²	106	108.1 Å²	108.1	50%	0.495	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.3	179.1	-171.9	171.3	-101.7	0	0	110	D4 Y10 V14	D4-E12 HydrophobicContact CB-CB 4.44Å; D4-E12 PolarHBondContact N-O 2.61Å; D4-E12 PolarHBondContact O-N 3.21Å; D4-E12 VanDerWaalsContact O-N 3.1Å; Y10-E12 HydrophobicContact CD2-CB 4.5Å; Y10-E12 HydrophobicContact CE2-CB 4.44Å; E12-V14 HydrophobicContact CG-CG2 4.28Å
13	L	98.7	Very high	98.4	Very high	62 Å²	62	112.4 Å²	112.4	33%	0.325	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.5	108.6	179.2	-49.8	-177.2	0	0	0	108.6	F3 L15 L22	F3-L13 HydrophobicContact CB-CD2 4.03Å; F3-L13 HydrophobicContact CD1-CB 4.4Å; F3-L13 HydrophobicContact CD1-CD2 3.67Å; F3-L13 HydrophobicContact CD2-CD2 3.8Å; F3-L13 HydrophobicContact CE1-CB 4.36Å; F3-L13 HydrophobicContact CE1-CD2 4.01Å; F3-L13 HydrophobicContact CE2-CD2 4.12Å; F3-L13 HydrophobicContact CG-CD2 3.56Å; F3-L13 HydrophobicContact CZ-CD1 4.49Å; F3-L13 HydrophobicContact CZ-CD2 4.22Å; L13-L15 HydrophobicContact CB-CD1 4.34Å; L13-L15 WeakPolarHBondContact O-CD1 3.33Å; L13-L22 HydrophobicContact CD1-CD2 3.67Å
14	V	98.6	Very high	98.4	Very high	56 Å²	56	115.6 Å²	115.6	34%	0.339	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.7	122.6	177.4	-175.9	0	0	0	0	109.7	M1 N2 E12	M1-V14 CarbonylContact C-O 3.59Å; M1-V14 WeakPolarHBondContact CA-O 3.28Å; N2-V14 HydrophobicContact CB-CB 4.26Å; N2-V14 PolarHBondContact N-O 3.01Å; N2-V14 PolarHBondContact O-N 3.22Å; E12-V14 HydrophobicContact CG-CG2 4.28Å
15	L	98.6	Very high	98.4	Very high	66 Å²	66	118.5 Å²	118.5	35%	0.346	58%	0.581	S	S	.	*			trans	-118.4	139.2	178	-57.5	96	0	0	0	109.9	M1 L13 E17 A20	M1-L15 HydrophobicContact CG-CD2 4.28Å; M1-L15 HydrophobicContact CG-CG 4.2Å; M1-L15 HydrophobicContact SD-CD2 4.1Å; L13-L15 HydrophobicContact CB-CD1 4.34Å; L13-L15 WeakPolarHBondContact O-CD1 3.33Å; L15-E17 PolarHBondContact O-N 3.2Å; L15-A20 HydrophobicContact CD1-CB 4.43Å; L15-A20 HydrophobicContact CD2-CB 3.9Å
16	W	98.3	Very high	98.4	Very high	233 Å²	233	117.5 Å²	117.5	88%	0.883	59%	0.589	S	S	*	*	S	Bend	trans	-101.5	59.2	176.1	-66.6	-4.7	0	0	0	109.6
17	E	97.6	Very high	98.5	Very high	97 Å²	97	114.5 Å²	114.5	45%	0.453	57%	0.57	S	S	.	*	S	Bend	trans	-152.4	154.4	177.5	-162	173.6	172.1	0	0	108.1	L15 K19	L15-E17 PolarHBondContact O-N 3.2Å; E17-K19 HydrophobicContact CG-CG 4.26Å; E17-K19 PolarHBondContact O-N 2.88Å; E17-K19 WeakPolarHBondContact OE1-CE 3.45Å; E17-K19 IonicContact OE1-NZ 2.81Å
18	D	97.9	Very high	98.5	Very high	157 Å²	157	121.3 Å²	121.3	84%	0.84	60%	0.604	S	S	*	*	S	Bend	trans	-77.7	-7	-179.3	67.8	-31.2	0	0	0	113.6
19	K	98.1	Very high	98.5	Very high	141 Å²	141	118.2 Å²	118.2	61%	0.613	58%	0.583	S	S	*	*			trans	-140.5	153.9	-179.8	67.4	-170.9	176.6	-169.9	0	111.2	E17	E17-K19 HydrophobicContact CG-CG 4.26Å; E17-K19 PolarHBondContact O-N 2.88Å; E17-K19 WeakPolarHBondContact OE1-CE 3.45Å; E17-K19 IonicContact OE1-NZ 2.81Å
20	A	98.4	Very high	98.5	Very high	54 Å²	54	113.7 Å²	113.7	45%	0.446	56%	0.558	S	S	.	*			trans	-141	150.1	174	0	0	0	0	0	110.6	L15 L22	L15-A20 HydrophobicContact CD1-CB 4.43Å; L15-A20 HydrophobicContact CD2-CB 3.9Å; A20-L22 HydrophobicContact CB-CD1 4.04Å
21	T	98.7	Very high	98.5	Very high	127 Å²	127	109.5 Å²	109.5	78%	0.779	55%	0.546	S	S	*	.			trans	-131.4	119.1	169.5	-64.2	0	0	0	0	108.4
22	L	98.5	Very high	98.5	Very high	92 Å²	92	105.3 Å²	105.3	48%	0.482	53%	0.53	S	S	.	.			trans	-114.5	142.4	178.8	-57.8	90.7	0	0	0	109.1	L13 A20 F24	L13-L22 HydrophobicContact CD1-CD2 3.67Å; A20-L22 HydrophobicContact CB-CD1 4.04Å; L22-F24 HydrophobicContact CB-CE2 3.61Å; L22-F24 HydrophobicContact CB-CZ 3.94Å; L22-F24 HydrophobicContact CD2-CE2 4.42Å; L22-F24 HydrophobicContact CD2-CZ 3.98Å
23	R	98.6	Very high	98.6	Very high	192 Å²	192	103.1 Å²	103.1	73%	0.725	52%	0.522	S	S	*	.			trans	-127.9	137.7	176.1	-67.4	179.9	-176.1	-128.3	0.2	108.6
24	F	98.6	Very high	98.6	Very high	169 Å²	169	100.3 Å²	100.3	74%	0.741	51%	0.507	S	S	*	.			trans	-131.9	138.5	179.7	-56.4	-90.4	0	0	0	108.5	L22	L22-F24 HydrophobicContact CB-CE2 3.61Å; L22-F24 HydrophobicContact CB-CZ 3.94Å; L22-F24 HydrophobicContact CD2-CE2 4.42Å; L22-F24 HydrophobicContact CD2-CZ 3.98Å
25	E	98.6	Very high	98.6	Very high	124 Å²	124	102 Å²	102	58%	0.579	51%	0.511	S	S	*	.			trans	-136.3	148.3	167	-77.3	-166.6	131.5	0	0	108.7	L33 K36	E25-L33 WeakPolarHBondContact O-CD1 3.34Å; E25-K36 HydrophobicContact CB-CD 4.45Å; E25-K36 WeakPolarHBondContact OE2-CB 3.39Å
26	C	98.8	Very high	98.6	Very high	108 Å²	108	102.3 Å²	102.3	73%	0.73	51%	0.51	S	S	*	.			trans	-111.1	158.9	174.5	-55.2	0	0	0	0	109.4	K36	C26-K36 PolarHBondContact O-NZ 3.38Å
27	A	98.7	Very high	98.6	Very high	32 Å²	32	93.8 Å²	93.8	26%	0.264	48%	0.481	S	S	.	.			trans	-147	164.9	170.3	0	0	0	0	0	110	T29 L33 K36	A27-T29 VanDerWaalsContact C-N 3.3Å; A27-L33 HydrophobicContact CB-CB 3.96Å; A27-L33 HydrophobicContact CB-CD1 4.18Å; A27-K36 HydrophobicContact CB-CD 4.27Å
28	D	98.7	Very high	98.7	Very high	162 Å²	162	89.2 Å²	89.2	87%	0.866	46%	0.459	S	S	*	.	S	Bend	trans	-76.7	-19.1	-178.2	-57.3	-36.5	0	0	0	112.9
29	T	98.9	Very high	98.7	Very high	59 Å²	59	85.3 Å²	85.3	36%	0.362	45%	0.449	S	S	.	.	S	Bend	trans	-142.6	158.5	178.6	64.9	0	0	0	0	110.5	A27 I31 S32 L33 E393	A27-T29 VanDerWaalsContact C-N 3.3Å; T29-I31 VanDerWaalsContact C-N 3.28Å; T29-I31 PolarHBondContact O-N 3.07Å; T29-S32 PolarHBondContact O-N 3.02Å; T29-S32 WeakPolarHBondContact OG1-CB 3.31Å; T29-S32 PolarHBondContact OG1-N 3.1Å; T29-S32 VanDerWaalsContact OG1-N 3.16Å; T29-L33 PolarHBondContact O-N 3.19Å; T29-E393 WeakPolarHBondContact CA-OE1 3.45Å; T29-E393 WeakPolarHBondContact CB-OE1 3.45Å
30	Y	98.9	Very high	98.8	Very high	80 Å²	80	83 Å²	83	31%	0.314	44%	0.443	S	S	.	.	H	α-helix	trans	-64.7	-34	174.8	-66.6	-74.3	0	0	0	112.2	S32 L33 L34 M293 F389 L390 E393 Y399	Y30-S32 PolarHBondContact O-N 3.38Å; Y30-L33 WeakPolarHBondContact O-CB 3.39Å; Y30-L33 PolarHBondContact O-N 3.23Å; Y30-L34 WeakPolarHBondContact O-CG 3.12Å; Y30-L34 PolarHBondContact O-N 2.87Å; Y30-M293 HydrophobicContact CD1-CE 4.4Å; Y30-F389 HydrophobicContact CD1-CD2 4.5Å; Y30-F389 HydrophobicContact CD1-CE2 4.12Å; Y30-F389 AromaticContact CD2-CD2 3.75Å; Y30-F389 HydrophobicContact CD2-CD2 3.75Å; Y30-F389 HydrophobicContact CD2-CE2 4.18Å; Y30-F389 HydrophobicContact CE1-CE2 4.44Å; Y30-F389 HydrophobicContact CE2-CD2 4Å; Y30-F389 HydrophobicContact CE2-CE2 4.5Å; Y30-F389 HydrophobicContact CG-CD2 4.04Å; Y30-F389 AromaticContact CG-CE2 3.99Å; Y30-F389 HydrophobicContact CG-CE2 3.99Å; Y30-L390 HydrophobicContact CG-CD2 4.24Å; Y30-E393 HydrophobicContact CD2-CG 3.86Å; Y30-E393 WeakPolarHBondContact CD2-OE1 3.27Å; Y30-E393 HydrophobicContact CE2-CG 4.26Å; Y30-E393 PolarHBondContact N-OE1 3.37Å; Y30-Y399 AromaticContact CE2-CE1 3.84Å; Y30-Y399 HydrophobicContact CE2-CE1 3.84Å; Y30-Y399 WeakPolarHBondContact CE2-OH 3.15Å; Y30-Y399 AromaticContact CZ-CE1 3.88Å; Y30-Y399 WeakPolarHBondContact OH-CE1 3.42Å
31	I	98.9	Very high	98.8	Very high	59 Å²	59	82.2 Å²	82.2	30%	0.303	43%	0.431	S	S	.	.	H	α-helix	trans	-59	-47.6	175.1	-65.9	175.8	0	0	0	110.4	T29 L33 L34 E35 L382 L390	T29-I31 VanDerWaalsContact C-N 3.28Å; T29-I31 PolarHBondContact O-N 3.07Å; I31-L33 VanDerWaalsContact C-N 3.32Å; I31-L33 PolarHBondContact O-N 2.9Å; I31-L34 PolarHBondContact O-N 3.33Å; I31-E35 PolarHBondContact O-N 3.08Å; I31-E35 VanDerWaalsContact O-N 3.13Å; I31-L382 HydrophobicContact CG1-CD1 4.09Å; I31-L382 HydrophobicContact CG2-CD1 4.25Å; I31-L390 WeakPolarHBondContact CD1-O 3.47Å; I31-L390 HydrophobicContact CG1-CB 4.44Å
32	S	98.9	Very high	98.8	Very high	35 Å²	35	76.9 Å²	76.9	25%	0.245	40%	0.402	C	S	.	.	H	α-helix	trans	-68.3	-32.8	177	-178.1	0	0	0	0	112	T29 Y30 E35 K36	T29-S32 PolarHBondContact O-N 3.02Å; T29-S32 WeakPolarHBondContact OG1-CB 3.31Å; T29-S32 PolarHBondContact OG1-N 3.1Å; T29-S32 VanDerWaalsContact OG1-N 3.16Å; Y30-S32 PolarHBondContact O-N 3.38Å; S32-E35 WeakPolarHBondContact O-CB 3.4Å; S32-E35 PolarHBondContact O-N 3.39Å; S32-K36 WeakPolarHBondContact O-CG 3.47Å; S32-K36 PolarHBondContact O-N 3.29Å
33	L	98.9	Very high	98.8	Very high	61 Å²	61	76 Å²	76	32%	0.319	39%	0.392	S	S	.	.	H	α-helix	trans	-64.1	-41.6	175.7	-168.5	63.3	0	0	0	112	E25 A27 T29 Y30 I31 E35 K36 L37	E25-L33 WeakPolarHBondContact O-CD1 3.34Å; A27-L33 HydrophobicContact CB-CB 3.96Å; A27-L33 HydrophobicContact CB-CD1 4.18Å; T29-L33 PolarHBondContact O-N 3.19Å; Y30-L33 WeakPolarHBondContact O-CB 3.39Å; Y30-L33 PolarHBondContact O-N 3.23Å; I31-L33 VanDerWaalsContact C-N 3.32Å; I31-L33 PolarHBondContact O-N 2.9Å; L33-E35 VanDerWaalsContact C-N 3.34Å; L33-K36 PolarHBondContact O-N 3.22Å; L33-L37 WeakPolarHBondContact O-CB 3.49Å; L33-L37 PolarHBondContact O-N 3.24Å
34	L	98.9	Very high	98.8	Very high	3 Å²	3	67.1 Å²	67.1	2%	0.016	36%	0.359	C	S	.	.	H	α-helix	trans	-66.5	-36.3	174.6	-67.3	177.4	0	0	0	112.1	Y30 I31 K36 L37 T38 M293 P383 L390	Y30-L34 WeakPolarHBondContact O-CG 3.12Å; Y30-L34 PolarHBondContact O-N 2.87Å; I31-L34 PolarHBondContact O-N 3.33Å; L34-K36 VanDerWaalsContact C-N 3.32Å; L34-K36 PolarHBondContact O-N 3.26Å; L34-L37 HydrophobicContact CD2-CD2 4.41Å; L34-L37 PolarHBondContact O-N 3.45Å; L34-T38 WeakPolarHBondContact O-CB 3.45Å; L34-T38 WeakPolarHBondContact O-CG2 3.38Å; L34-T38 PolarHBondContact O-N 2.98Å; L34-T38 PolarHBondContact O-OG1 2.9Å; L34-M293 HydrophobicContact CD1-SD 4.33Å; L34-M293 HydrophobicContact CD2-CE 4.25Å; L34-M293 HydrophobicContact CD2-SD 4.32Å; L34-P383 HydrophobicContact CD1-CG 4.15Å; L34-L390 HydrophobicContact CD1-CD1 3.85Å; L34-L390 HydrophobicContact CD1-CD2 4.1Å
35	E	98.9	Very high	98.8	Very high	90 Å²	90	60.4 Å²	60.4	42%	0.421	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-44.2	174.1	-172.5	176.7	-168.5	0	0	111.5	I31 S32 L33 T38 A39 R43 S380	I31-E35 PolarHBondContact O-N 3.08Å; I31-E35 VanDerWaalsContact O-N 3.13Å; S32-E35 WeakPolarHBondContact O-CB 3.4Å; S32-E35 PolarHBondContact O-N 3.39Å; L33-E35 VanDerWaalsContact C-N 3.34Å; E35-T38 PolarHBondContact O-OG1 3.19Å; E35-A39 WeakPolarHBondContact O-CB 3.39Å; E35-A39 PolarHBondContact O-N 3.06Å; E35-R43 VanDerWaalsContact CG-NH2 3.31Å; E35-R43 PolarHBondContact O-NH2 3.36Å; E35-S380 VanDerWaalsContact CA-O 3.25Å; E35-S380 WeakPolarHBondContact CA-O 3.4Å
36	K	98.9	Very high	98.8	Very high	74 Å²	74	59.1 Å²	59.1	32%	0.322	33%	0.326	S	S	.	.	H	α-helix	trans	-65.5	-47.6	175	-71	-175.5	-171.3	-172.1	0	112.4	E25 C26 A27 S32 L33 L34 T38 A39 L40	E25-K36 HydrophobicContact CB-CD 4.45Å; E25-K36 WeakPolarHBondContact OE2-CB 3.39Å; C26-K36 PolarHBondContact O-NZ 3.38Å; A27-K36 HydrophobicContact CB-CD 4.27Å; S32-K36 WeakPolarHBondContact O-CG 3.47Å; S32-K36 PolarHBondContact O-N 3.29Å; L33-K36 PolarHBondContact O-N 3.22Å; L34-K36 VanDerWaalsContact C-N 3.32Å; L34-K36 PolarHBondContact O-N 3.26Å; K36-T38 VanDerWaalsContact C-N 3.32Å; K36-T38 PolarHBondContact O-N 3.32Å; K36-A39 WeakPolarHBondContact O-CB 3.45Å; K36-A39 PolarHBondContact O-N 2.7Å; K36-A39 VanDerWaalsContact O-N 3.13Å; K36-L40 PolarHBondContact O-N 2.88Å; K36-L40 VanDerWaalsContact O-N 3.1Å
37	L	98.9	Very high	98.8	Very high	53 Å²	53	54.3 Å²	54.3	28%	0.277	29%	0.293	S	S	.	.	H	α-helix	trans	-57.4	-45.8	178.1	-178.3	63.6	0	0	0	111.5	L33 L34 L40 L41 M293	L33-L37 WeakPolarHBondContact O-CB 3.49Å; L33-L37 PolarHBondContact O-N 3.24Å; L34-L37 HydrophobicContact CD2-CD2 4.41Å; L34-L37 PolarHBondContact O-N 3.45Å; L37-L40 WeakPolarHBondContact O-CB 3.28Å; L37-L40 PolarHBondContact O-N 3.04Å; L37-L40 VanDerWaalsContact O-N 3.15Å; L37-L41 HydrophobicContact CD1-CD1 3.64Å; L37-L41 HydrophobicContact CD1-CG 4.04Å; L37-L41 HydrophobicContact CD2-CD1 4.45Å; L37-L41 HydrophobicContact CG-CD1 3.85Å; L37-L41 HydrophobicContact CG-CG 4.37Å; L37-L41 WeakPolarHBondContact O-CG 3.4Å; L37-L41 PolarHBondContact O-N 3.5Å; L37-M293 WeakPolarHBondContact CD2-O 3.49Å
38	T	98.8	Very high	98.8	Very high	1 Å²	1	53 Å²	53	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-75.9	-22.6	179.2	58.7	0	0	0	0	113.3	L34 E35 K36 L40 G42 R43	L34-T38 WeakPolarHBondContact O-CB 3.45Å; L34-T38 WeakPolarHBondContact O-CG2 3.38Å; L34-T38 PolarHBondContact O-N 2.98Å; L34-T38 PolarHBondContact O-OG1 2.9Å; E35-T38 PolarHBondContact O-OG1 3.19Å; K36-T38 VanDerWaalsContact C-N 3.32Å; K36-T38 PolarHBondContact O-N 3.32Å; T38-L40 PolarHBondContact O-N 2.9Å; T38-G42 CarbonylContact O-C 3.52Å; T38-G42 VanDerWaalsContact O-C 3.24Å; T38-G42 VanDerWaalsContact O-CA 3.24Å; T38-G42 WeakPolarHBondContact O-CA 3.42Å; T38-G42 PolarHBondContact O-N 2.92Å; T38-R43 PolarHBondContact OG1-NE 3.21Å
39	A	98.8	Very high	98.9	Very high	75 Å²	75	48.9 Å²	48.9	62%	0.62	26%	0.26	S	S	*	.	H	α-helix	trans	-65.3	-31.8	166.8	0	0	0	0	0	111.7	E35 K36	E35-A39 WeakPolarHBondContact O-CB 3.39Å; E35-A39 PolarHBondContact O-N 3.06Å; K36-A39 WeakPolarHBondContact O-CB 3.45Å; K36-A39 PolarHBondContact O-N 2.7Å; K36-A39 VanDerWaalsContact O-N 3.13Å
40	L	98.8	Very high	98.9	Very high	93 Å²	93	47.5 Å²	47.5	49%	0.487	25%	0.248	S	C	.	.	H	α-helix	trans	-77.3	-48.4	173.7	176.5	65.5	0	0	0	112.7	K36 L37 T38	K36-L40 PolarHBondContact O-N 2.88Å; K36-L40 VanDerWaalsContact O-N 3.1Å; L37-L40 WeakPolarHBondContact O-CB 3.28Å; L37-L40 PolarHBondContact O-N 3.04Å; L37-L40 VanDerWaalsContact O-N 3.15Å; T38-L40 PolarHBondContact O-N 2.9Å
41	L	98.9	Very high	98.9	Very high	37 Å²	37	43.7 Å²	43.7	19%	0.194	23%	0.233	C	C	.	.	H	α-helix	trans	-90.1	-23.1	-169.8	-59	-175.8	0	0	0	114.2	L37 T257 Q260	L37-L41 HydrophobicContact CD1-CD1 3.64Å; L37-L41 HydrophobicContact CD1-CG 4.04Å; L37-L41 HydrophobicContact CD2-CD1 4.45Å; L37-L41 HydrophobicContact CG-CD1 3.85Å; L37-L41 HydrophobicContact CG-CG 4.37Å; L37-L41 WeakPolarHBondContact O-CG 3.4Å; L37-L41 PolarHBondContact O-N 3.5Å; L41-T257 HydrophobicContact CD2-CG2 4.13Å; L41-Q260 HydrophobicContact CB-CB 4.08Å; L41-Q260 HydrophobicContact CB-CG 4.02Å; L41-Q260 HydrophobicContact CD1-CG 4.24Å
42	G	98.9	Very high	98.8	Very high	16 Å²	16	41 Å²	41	17%	0.165	22%	0.219	C	C	.	.			trans	108.3	161.8	-171.5	0	0	0	0	0	113.3	T38 Q260	T38-G42 CarbonylContact O-C 3.52Å; T38-G42 VanDerWaalsContact O-C 3.24Å; T38-G42 VanDerWaalsContact O-CA 3.24Å; T38-G42 WeakPolarHBondContact O-CA 3.42Å; T38-G42 PolarHBondContact O-N 2.92Å; G42-Q260 WeakPolarHBondContact O-CB 3.36Å
43	R	98.8	Very high	98.8	Very high	74 Å²	74	42.7 Å²	42.7	28%	0.279	23%	0.226	S	C	.	.			trans	-123	145.9	177.8	-68.8	175	-172.6	149.8	7.1	109.7	E35 T38 Q260 A378 K379	E35-R43 VanDerWaalsContact CG-NH2 3.31Å; E35-R43 PolarHBondContact O-NH2 3.36Å; T38-R43 PolarHBondContact OG1-NE 3.21Å; R43-Q260 CarbonylContact C-O 3.58Å; R43-Q260 VanDerWaalsContact C-O 3.23Å; R43-A378 VanDerWaalsContact CD-O 3.31Å; R43-A378 WeakPolarHBondContact CD-O 3.39Å; R43-K379 PolarHBondContact NH1-O 3.47Å
44	Q	98.9	Very high	98.8	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.019	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-73	151.9	177.7	-57.7	85	65.6	0	0	110.8	Q260 G295 L298 N377 A378	Q44-Q260 PolarHBondContact N-O 2.94Å; Q44-Q260 PolarHBondContact NE2-O 3.4Å; Q44-G295 PolarHBondContact NE2-O 3.22Å; Q44-L298 HydrophobicContact CB-CD1 3.66Å; Q44-L298 HydrophobicContact CB-CG 4.43Å; Q44-L298 HydrophobicContact CG-CD1 4.15Å; Q44-N377 PolarHBondContact OE1-ND2 3.3Å; Q44-N377 PolarHBondContact OE1-OD1 3.11Å; Q44-A378 VanDerWaalsContact O-CA 3.32Å; Q44-A378 WeakPolarHBondContact O-CA 3.41Å; Q44-A378 VanDerWaalsContact O-CB 3.31Å; Q44-A378 WeakPolarHBondContact O-CB 3.12Å
45	P	98.7	Very high	98.8	Very high	28 Å²	28	39.7 Å²	39.7	18%	0.182	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-61.5	165	168.1	-21	33.9	0	0	0	112.7	Y236 L245 T264	P45-Y236 HydrophobicContact CG-CE2 4.21Å; P45-L245 HydrophobicContact CG-CD2 4.32Å; P45-T264 HydrophobicContact CG-CG2 4.24Å
46	E	98.8	Very high	98.9	Very high	98 Å²	98	35.4 Å²	35.4	46%	0.458	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-63.8	150.8	161.4	-68.9	-174.9	-166.2	0	0	110.5	V374 A378	E46-V374 HydrophobicContact CB-CG1 4.47Å; E46-A378 HydrophobicContact CG-CB 3.85Å
47	L	98.9	Very high	98.9	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.031	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-75.9	146.4	176.8	-62.3	178.3	0	0	0	111	I51 Y52 L249 M265 L298 P330 V374	L47-I51 HydrophobicContact CB-CG1 4.41Å; L47-I51 HydrophobicContact CD1-CG2 4.19Å; L47-Y52 HydrophobicContact CB-CE2 4.36Å; L47-Y52 HydrophobicContact CD1-CE1 4.38Å; L47-L249 HydrophobicContact CD2-CD1 3.36Å; L47-M265 HydrophobicContact CD1-CE 4.01Å; L47-M265 HydrophobicContact CD2-CE 3.89Å; L47-L298 HydrophobicContact CD1-CD2 4.35Å; L47-L298 HydrophobicContact CD2-CD1 3.87Å; L47-L298 HydrophobicContact CG-CD1 4.3Å; L47-L298 HydrophobicContact CG-CD2 4.43Å; L47-P330 HydrophobicContact CD1-CB 4.15Å; L47-V374 HydrophobicContact CB-CG1 4.17Å; L47-V374 HydrophobicContact CD1-CG1 4.3Å; L47-V374 HydrophobicContact CD1-CG2 3.89Å; L47-V374 HydrophobicContact CG-CG1 3.83Å; L47-V374 HydrophobicContact CG-CG2 4.34Å
48	P	98.8	Very high	98.9	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.032	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-55.3	141.6	169.2	-23.3	32.6	0	0	0	112.3	W50 I51 G246 E247 L249	P48-W50 VanDerWaalsContact CB-CD1 3.49Å; P48-W50 HydrophobicContact CB-CD2 4.37Å; P48-W50 HydrophobicContact CB-CG 4.23Å; P48-W50 HydrophobicContact CB-CZ2 4.32Å; P48-W50 HydrophobicContact CG-CZ2 4.36Å; P48-W50 PolarHBondContact O-N 3.41Å; P48-W50 VanDerWaalsContact O-N 3.11Å; P48-I51 HydrophobicContact CB-CG1 4.33Å; P48-I51 WeakPolarHBondContact O-CB 3.44Å; P48-I51 WeakPolarHBondContact O-CG1 3.44Å; P48-I51 PolarHBondContact O-N 2.78Å; P48-G246 VanDerWaalsContact CA-O 3.27Å; P48-G246 WeakPolarHBondContact CA-O 3.41Å; P48-G246 WeakPolarHBondContact CB-O 3.39Å; P48-E247 WeakPolarHBondContact CB-O 3.42Å; P48-E247 WeakPolarHBondContact CG-O 3.49Å; P48-L249 HydrophobicContact CG-CB 4.13Å
49	D	98.9	Very high	98.8	Very high	76 Å²	76	29.5 Å²	29.5	41%	0.406	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-61.8	-27.3	-172.3	-161.1	69.9	0	0	0	113.9	I51 Y52 K367 K371	D49-I51 PolarHBondContact O-N 2.64Å; D49-Y52 WeakPolarHBondContact O-CD2 3.26Å; D49-Y52 PolarHBondContact O-N 3.14Å; D49-K367 PolarHBondContact O-NZ 3.18Å; D49-K367 IonicContact OD1-NZ 2.68Å; D49-K367 WeakPolarHBondContact OD2-CE 3.41Å; D49-K367 IonicContact OD2-NZ 2.88Å; D49-K367 PolarHBondContact OD2-NZ 2.93Å; D49-K371 WeakPolarHBondContact OD1-CE 3.41Å; D49-K371 IonicContact OD1-NZ 2.7Å; D49-K371 PolarHBondContact OD1-NZ 2.94Å
50	W	98.8	Very high	98.8	Very high	30 Å²	30	27.4 Å²	27.4	11%	0.114	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-69.3	-18.9	178.9	62.6	-102.3	0	0	0	113.4	P48 Y52 D53 N81 Q127 L129 G198 E247 L249	P48-W50 VanDerWaalsContact CB-CD1 3.49Å; P48-W50 HydrophobicContact CB-CD2 4.37Å; P48-W50 HydrophobicContact CB-CG 4.23Å; P48-W50 HydrophobicContact CB-CZ2 4.32Å; P48-W50 HydrophobicContact CG-CZ2 4.36Å; P48-W50 PolarHBondContact O-N 3.41Å; P48-W50 VanDerWaalsContact O-N 3.11Å; W50-Y52 PolarHBondContact O-N 3.12Å; W50-D53 WeakPolarHBondContact CA-OD2 3.29Å; W50-D53 WeakPolarHBondContact O-CB 3.48Å; W50-D53 PolarHBondContact O-N 3.11Å; W50-D53 VanDerWaalsContact O-N 3.13Å; W50-N81 HydrophobicContact CE3-CB 4.47Å; W50-N81 VanDerWaalsContact O-CB 3.25Å; W50-N81 WeakPolarHBondContact O-CB 3.16Å; W50-N81 PolarHBondContact O-ND2 3.39Å; W50-Q127 HydrophobicContact CB-CG 4.49Å; W50-Q127 HydrophobicContact CD2-CB 4.5Å; W50-Q127 HydrophobicContact CD2-CG 3.53Å; W50-Q127 HydrophobicContact CE3-CB 4.29Å; W50-Q127 HydrophobicContact CE3-CG 3.73Å; W50-Q127 HydrophobicContact CG-CG 3.87Å; W50-Q127 HydrophobicContact CH2-CG 4.45Å; W50-Q127 HydrophobicContact CZ2-CG 4.29Å; W50-Q127 HydrophobicContact CZ3-CB 4.29Å; W50-Q127 HydrophobicContact CZ3-CG 4.17Å; W50-L129 HydrophobicContact CH2-CD1 4.27Å; W50-L129 HydrophobicContact CH2-CD2 4.16Å; W50-L129 HydrophobicContact CZ3-CD1 4.37Å; W50-G198 VanDerWaalsContact CZ2-O 3.3Å; W50-G198 WeakPolarHBondContact CZ2-O 3.5Å; W50-E247 PolarHBondContact NE1-O 2.85Å; W50-L249 HydrophobicContact CH2-CB 4.27Å; W50-L249 HydrophobicContact CZ2-CB 4.02Å
51	I	98.9	Very high	98.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-59.3	-35.6	177.5	-66.3	-72.8	0	0	0	111	L47 P48 D49 D53 N81 L249 P330 M331 F363	L47-I51 HydrophobicContact CB-CG1 4.41Å; L47-I51 HydrophobicContact CD1-CG2 4.19Å; P48-I51 HydrophobicContact CB-CG1 4.33Å; P48-I51 WeakPolarHBondContact O-CB 3.44Å; P48-I51 WeakPolarHBondContact O-CG1 3.44Å; P48-I51 PolarHBondContact O-N 2.78Å; D49-I51 PolarHBondContact O-N 2.64Å; I51-D53 VanDerWaalsContact C-N 3.28Å; I51-D53 PolarHBondContact O-N 2.71Å; I51-N81 WeakPolarHBondContact CA-ND2 3.48Å; I51-N81 PolarHBondContact O-ND2 2.98Å; I51-L249 HydrophobicContact CD1-CB 4.09Å; I51-L249 HydrophobicContact CD1-CD1 3.75Å; I51-L249 HydrophobicContact CD1-CD2 3.93Å; I51-L249 HydrophobicContact CD1-CG 4.13Å; I51-L249 HydrophobicContact CG1-CD1 4.05Å; I51-P330 WeakPolarHBondContact CG2-O 3.35Å; I51-M331 HydrophobicContact CG2-CB 4.3Å; I51-M331 HydrophobicContact CG2-CG 4.38Å; I51-F363 WeakPolarHBondContact O-CE1 3.33Å
52	Y	98.9	Very high	98.8	Very high	1 Å²	1	23 Å²	23	0%	0.004	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-83.1	-0.3	-177	-48.5	-74.5	0	0	0	113.9	L47 D49 W50 T364 K367 L370 K371 V374	L47-Y52 HydrophobicContact CB-CE2 4.36Å; L47-Y52 HydrophobicContact CD1-CE1 4.38Å; D49-Y52 WeakPolarHBondContact O-CD2 3.26Å; D49-Y52 PolarHBondContact O-N 3.14Å; W50-Y52 PolarHBondContact O-N 3.12Å; Y52-T364 WeakPolarHBondContact O-CG2 3.43Å; Y52-K367 VanDerWaalsContact CB-CG 3.43Å; Y52-K367 HydrophobicContact CD2-CG 4.47Å; Y52-K367 HydrophobicContact CG-CD 4.47Å; Y52-K367 HydrophobicContact CG-CG 4.06Å; Y52-L370 HydrophobicContact CD1-CB 3.97Å; Y52-L370 HydrophobicContact CD1-CD1 4.44Å; Y52-L370 HydrophobicContact CE1-CB 3.87Å; Y52-K371 HydrophobicContact CE2-CB 4.26Å; Y52-K371 HydrophobicContact CE2-CG 4.01Å; Y52-V374 HydrophobicContact CE1-CG2 4.37Å; Y52-V374 VanDerWaalsContact OH-CB 3.28Å; Y52-V374 WeakPolarHBondContact OH-CB 3.45Å; Y52-V374 WeakPolarHBondContact OH-CG1 3.38Å; Y52-V374 WeakPolarHBondContact OH-CG2 3.29Å
53	D	98.9	Very high	98.8	Very high	72 Å²	72	22.4 Å²	22.4	39%	0.385	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-90.3	0.7	-174.1	-67.2	-28.9	0	0	0	113.9	W50 I51 K79 N81 T364 K367	W50-D53 WeakPolarHBondContact CA-OD2 3.29Å; W50-D53 WeakPolarHBondContact O-CB 3.48Å; W50-D53 PolarHBondContact O-N 3.11Å; W50-D53 VanDerWaalsContact O-N 3.13Å; I51-D53 VanDerWaalsContact C-N 3.28Å; I51-D53 PolarHBondContact O-N 2.71Å; D53-K79 WeakPolarHBondContact O-CB 3.44Å; D53-N81 HydrophobicContact CB-CB 4.11Å; D53-T364 WeakPolarHBondContact O-CG2 3.37Å; D53-K367 IonicContact OD1-NZ 3.8Å; D53-K367 PolarHBondContact OD1-NZ 2.88Å; D53-K367 IonicContact OD2-NZ 2.77Å
54	G	98.9	Very high	98.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	154.7	-159.6	174.2	0	0	0	0	0	114.9	K79 N81	G54-K79 CarbonylContact C-O 3.23Å; G54-K79 VanDerWaalsContact CA-O 3.22Å; G54-K79 WeakPolarHBondContact CA-O 3.44Å; G54-N81 PolarHBondContact O-ND2 2.82Å
55	V	99	Very high	98.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	140.6	174.7	66.6	0	0	0	0	111.4	L57 V78 K79 V80 N81 I303 M332 T334 T360	V55-L57 HydrophobicContact CG1-CD2 3.84Å; V55-L57 HydrophobicContact CG1-CG 4.49Å; V55-V78 HydrophobicContact CG1-CG1 4.07Å; V55-K79 PolarHBondContact N-O 2.85Å; V55-V80 HydrophobicContact CG1-CG2 4.37Å; V55-V80 WeakPolarHBondContact O-CA 3.5Å; V55-N81 PolarHBondContact O-N 3.32Å; V55-N81 VanDerWaalsContact O-N 3.13Å; V55-N81 PolarHBondContact O-OD1 3.32Å; V55-I303 HydrophobicContact CG2-CD1 4.18Å; V55-M332 HydrophobicContact CB-CB 4.05Å; V55-M332 HydrophobicContact CG2-CB 3.96Å; V55-T334 HydrophobicContact CG2-CG2 4.15Å; V55-T360 HydrophobicContact CB-CG2 3.74Å; V55-T360 HydrophobicContact CG1-CG2 3.72Å
56	T	99	Very high	98.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.9	164.9	-64.9	0	0	0	0	109.4	G58 N81 G82 W84 L129 M332 R333 T334	T56-G58 PolarHBondContact O-N 3.39Å; T56-N81 WeakPolarHBondContact CA-OD1 3.32Å; T56-N81 PolarHBondContact N-OD1 3.21Å; T56-N81 VanDerWaalsContact N-OD1 3.08Å; T56-N81 PolarHBondContact OG1-OD1 2.9Å; T56-G82 WeakPolarHBondContact CA-O 3.29Å; T56-W84 HydrophobicContact CG2-CB 3.65Å; T56-L129 HydrophobicContact CG2-CD1 3.93Å; T56-L129 HydrophobicContact CG2-CD2 4.41Å; T56-M332 PolarHBondContact N-O 3.11Å; T56-R333 HydrophobicContact CG2-CG 4.16Å; T56-R333 WeakPolarHBondContact O-CA 3.45Å; T56-T334 PolarHBondContact O-N 2.94Å; T56-T334 VanDerWaalsContact O-N 3.1Å
57	L	99	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	113.8	-178.3	-59.5	176.2	0	0	0	110.6	V55 I59 M73 V80 G82 W84 F346	V55-L57 HydrophobicContact CG1-CD2 3.84Å; V55-L57 HydrophobicContact CG1-CG 4.49Å; L57-I59 HydrophobicContact CB-CD1 3.73Å; L57-I59 HydrophobicContact CB-CG1 3.95Å; L57-I59 HydrophobicContact CD1-CD1 4.24Å; L57-I59 PolarHBondContact O-N 3.43Å; L57-M73 HydrophobicContact CD1-CB 4.22Å; L57-M73 HydrophobicContact CD1-CG 3.93Å; L57-V80 HydrophobicContact CD1-CG1 3.91Å; L57-V80 HydrophobicContact CD1-CG2 4.15Å; L57-V80 HydrophobicContact CG-CG1 3.98Å; L57-V80 HydrophobicContact CG-CG2 4.49Å; L57-G82 PolarHBondContact N-O 3.1Å; L57-W84 PolarHBondContact O-N 2.9Å; L57-F346 HydrophobicContact CB-CE1 4.28Å; L57-F346 HydrophobicContact CB-CZ 4.2Å; L57-F346 HydrophobicContact CD1-CE2 4.23Å; L57-F346 HydrophobicContact CD1-CZ 4.25Å; L57-F346 HydrophobicContact CD2-CD1 4.19Å; L57-F346 HydrophobicContact CD2-CD2 4.11Å; L57-F346 HydrophobicContact CD2-CE1 4.15Å; L57-F346 HydrophobicContact CD2-CE2 4.07Å; L57-F346 HydrophobicContact CD2-CG 4.17Å; L57-F346 HydrophobicContact CD2-CZ 4.08Å; L57-F346 HydrophobicContact CG-CZ 4.41Å
58	G	98.8	Very high	98.8	Very high	3 Å²	3	32 Å²	32	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	112.7	166.9	0	0	0	0	0	110.7	T56 W84 T334	T56-G58 PolarHBondContact O-N 3.39Å; G58-W84 CarbonylContact C-O 3.6Å; G58-W84 WeakPolarHBondContact CA-O 3.41Å; G58-T334 WeakPolarHBondContact CA-O 3.42Å; G58-T334 PolarHBondContact N-OG1 2.74Å
59	I	98.7	Very high	98.8	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.171	C	C	.	.			trans	-139.6	138.1	-174.2	-55.9	170.3	0	0	0	109.8	L57 V65 K69 I83 W84 A85 F346	L57-I59 HydrophobicContact CB-CD1 3.73Å; L57-I59 HydrophobicContact CB-CG1 3.95Å; L57-I59 HydrophobicContact CD1-CD1 4.24Å; L57-I59 PolarHBondContact O-N 3.43Å; I59-V65 HydrophobicContact CG2-CG1 4Å; I59-K69 HydrophobicContact CD1-CB 3.71Å; I59-K69 HydrophobicContact CD1-CD 4.09Å; I59-K69 HydrophobicContact CG1-CD 4.11Å; I59-K69 HydrophobicContact CG2-CD 3.66Å; I59-I83 HydrophobicContact CD1-CG2 4.38Å; I59-W84 PolarHBondContact N-O 3.29Å; I59-A85 WeakPolarHBondContact O-CA 3.48Å; I59-F346 HydrophobicContact CD1-CZ 4.01Å; I59-F346 HydrophobicContact CG1-CE1 4.06Å; I59-F346 HydrophobicContact CG1-CZ 3.82Å
60	Q	98.6	Very high	98.8	Very high	32 Å²	32	29.8 Å²	29.8	15%	0.15	15%	0.152	C	C	.	.			trans	-120.7	161.8	172.1	-60.5	171.8	107.4	0	0	111.8	Q86 D87 E336	Q60-Q86 HydrophobicContact CG-CG 4.01Å; Q60-D87 VanDerWaalsContact CA-OD1 3.28Å; Q60-D87 WeakPolarHBondContact CA-OD1 3.41Å; Q60-D87 WeakPolarHBondContact CB-OD1 3.46Å; Q60-E336 WeakPolarHBondContact CB-OE2 3.44Å; Q60-E336 PolarHBondContact N-OE1 3.19Å; Q60-E336 PolarHBondContact NE2-OE2 2.89Å
61	G	97.7	Very high	98.8	Very high	34 Å²	34	30.6 Å²	30.6	35%	0.351	16%	0.158	S	C	.	.	S	Bend	trans	104	20.3	172.6	0	0	0	0	0	115.6	V65 D87	G61-V65 WeakPolarHBondContact O-CG2 3.34Å; G61-D87 PolarHBondContact N-OD2 3.12Å
62	G	98.5	Very high	98.8	Very high	3 Å²	3	33.3 Å²	33.3	3%	0.031	18%	0.175	C	C	.	.			trans	97.9	173.5	166.1	0	0	0	0	0	116.4	E64 V65 C66 N110 Y111	G62-E64 PolarHBondContact O-N 2.71Å; G62-V65 PolarHBondContact O-N 3.28Å; G62-C66 PolarHBondContact O-N 3.48Å; G62-C66 VanDerWaalsContact O-N 3.1Å; G62-C66 PolarHBondContact O-SG 3.12Å; G62-N110 WeakPolarHBondContact CA-O 3.3Å; G62-Y111 VanDerWaalsContact C-CE1 3.44Å; G62-Y111 VanDerWaalsContact CA-CE1 3.49Å; G62-Y111 VanDerWaalsContact CA-CZ 3.44Å; G62-Y111 PolarHBondContact N-OH 3.31Å
63	T	98.8	Very high	98.8	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-58.2	-43.4	-167.4	-46.3	0	0	0	0	113.7	Q67 Y111 P112 R117 W121	T63-Q67 PolarHBondContact O-N 2.9Å; T63-Y111 VanDerWaalsContact OG1-CA 3.27Å; T63-Y111 WeakPolarHBondContact OG1-CA 3.28Å; T63-P112 WeakPolarHBondContact CB-O 3.46Å; T63-P112 PolarHBondContact OG1-O 2.88Å; T63-R117 HydrophobicContact CG2-CB 4.13Å; T63-R117 HydrophobicContact CG2-CG 3.85Å; T63-W121 HydrophobicContact CG2-CH2 4.34Å
64	E	98.7	Very high	98.8	Very high	163 Å²	163	33.1 Å²	33.1	76%	0.762	17%	0.169	S	C	*	.	H	α-helix	trans	-70.3	-36.9	-179.2	-70.9	-165.1	161.1	0	0	112.8	G62 Q67 K68	G62-E64 PolarHBondContact O-N 2.71Å; E64-Q67 PolarHBondContact O-N 3.43Å; E64-K68 WeakPolarHBondContact O-CB 3.36Å; E64-K68 PolarHBondContact O-N 2.92Å
65	V	98.8	Very high	98.8	Very high	57 Å²	57	39.9 Å²	39.9	35%	0.345	21%	0.205	S	C	.	.	H	α-helix	trans	-64	-45.1	176.5	175.9	0	0	0	0	109.9	I59 G61 G62 K68 K69	I59-V65 HydrophobicContact CG2-CG1 4Å; G61-V65 WeakPolarHBondContact O-CG2 3.34Å; G62-V65 PolarHBondContact O-N 3.28Å; V65-K68 PolarHBondContact O-N 3.08Å; V65-K69 HydrophobicContact CG1-CD 4.08Å; V65-K69 WeakPolarHBondContact O-CB 3.46Å; V65-K69 PolarHBondContact O-N 3.42Å; V65-K69 VanDerWaalsContact O-N 3.11Å
66	C	98.8	Very high	98.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.9	-49.1	172.6	-68.5	0	0	0	0	111.7	G62 K68 K69 L70 I83 W121	G62-C66 PolarHBondContact O-N 3.48Å; G62-C66 VanDerWaalsContact O-N 3.1Å; G62-C66 PolarHBondContact O-SG 3.12Å; C66-K68 PolarHBondContact O-N 3.39Å; C66-K69 PolarHBondContact O-N 2.96Å; C66-L70 VanDerWaalsContact O-CB 3.29Å; C66-L70 WeakPolarHBondContact O-CB 3.33Å; C66-L70 PolarHBondContact O-N 3.03Å; C66-I83 HydrophobicContact CB-CD1 4.21Å; C66-I83 HydrophobicContact CB-CG2 4.19Å; C66-W121 HydrophobicContact CB-CH2 4Å; C66-W121 HydrophobicContact CB-CZ2 4.13Å
67	Q	98.9	Very high	98.7	Very high	39 Å²	39	43.9 Å²	43.9	18%	0.182	24%	0.242	C	C	.	.	H	α-helix	trans	-59.1	-49.4	179.8	-173.3	62.9	54.5	0	0	112	T63 E64 K69 L70 D71	T63-Q67 PolarHBondContact O-N 2.9Å; E64-Q67 PolarHBondContact O-N 3.43Å; Q67-K69 PolarHBondContact O-N 3.47Å; Q67-L70 PolarHBondContact O-N 3.21Å; Q67-D71 VanDerWaalsContact NE2-CG 3.27Å; Q67-D71 PolarHBondContact NE2-OD1 3.4Å; Q67-D71 VanDerWaalsContact NE2-OD1 3.08Å; Q67-D71 PolarHBondContact NE2-OD2 3.42Å; Q67-D71 VanDerWaalsContact O-CG 3.29Å; Q67-D71 PolarHBondContact O-N 3.36Å
68	K	98.9	Very high	98.7	Very high	154 Å²	154	44.2 Å²	44.2	67%	0.67	24%	0.243	S	C	*	.	H	α-helix	trans	-59.9	-46.6	-178.6	179.8	-178.4	174.8	-175.8	0	112.1	E64 V65 C66 D71 T72	E64-K68 WeakPolarHBondContact O-CB 3.36Å; E64-K68 PolarHBondContact O-N 2.92Å; V65-K68 PolarHBondContact O-N 3.08Å; C66-K68 PolarHBondContact O-N 3.39Å; K68-D71 PolarHBondContact O-N 3.21Å; K68-T72 WeakPolarHBondContact O-CB 3.36Å; K68-T72 PolarHBondContact O-N 2.69Å; K68-T72 PolarHBondContact O-OG1 3.21Å
69	K	98.9	Very high	98.7	Very high	33 Å²	33	48 Å²	48	14%	0.143	26%	0.259	C	S	.	.	H	α-helix	trans	-66.7	-42.4	179	-79.5	172.6	173.4	-75.8	0	111.5	I59 V65 C66 Q67 D71 T72 M73 F346 D347	I59-K69 HydrophobicContact CD1-CB 3.71Å; I59-K69 HydrophobicContact CD1-CD 4.09Å; I59-K69 HydrophobicContact CG1-CD 4.11Å; I59-K69 HydrophobicContact CG2-CD 3.66Å; V65-K69 HydrophobicContact CG1-CD 4.08Å; V65-K69 WeakPolarHBondContact O-CB 3.46Å; V65-K69 PolarHBondContact O-N 3.42Å; V65-K69 VanDerWaalsContact O-N 3.11Å; C66-K69 PolarHBondContact O-N 2.96Å; Q67-K69 PolarHBondContact O-N 3.47Å; K69-D71 PolarHBondContact O-N 3.01Å; K69-T72 PolarHBondContact O-N 3.36Å; K69-M73 WeakPolarHBondContact O-CG 3.35Å; K69-M73 PolarHBondContact O-N 2.85Å; K69-F346 HydrophobicContact CB-CE2 4.31Å; K69-F346 HydrophobicContact CB-CZ 4.23Å; K69-F346 HydrophobicContact CD-CZ 4.07Å; K69-F346 HydrophobicContact CG-CZ 4.4Å; K69-D347 WeakPolarHBondContact CG-OD2 3.42Å; K69-D347 IonicContact NZ-OD1 3.86Å; K69-D347 PolarHBondContact NZ-OD1 3.43Å; K69-D347 IonicContact NZ-OD2 2.64Å; K69-D347 PolarHBondContact NZ-OD2 3.29Å
70	L	98.9	Very high	98.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-55.9	-51.1	173.2	174.4	64.8	0	0	0	111.4	C66 Q67 T72 M73 R74 V80 I83 V126	C66-L70 VanDerWaalsContact O-CB 3.29Å; C66-L70 WeakPolarHBondContact O-CB 3.33Å; C66-L70 PolarHBondContact O-N 3.03Å; Q67-L70 PolarHBondContact O-N 3.21Å; L70-T72 VanDerWaalsContact C-N 3.32Å; L70-T72 PolarHBondContact O-N 2.96Å; L70-M73 PolarHBondContact O-N 3.33Å; L70-R74 HydrophobicContact CD1-CG 3.94Å; L70-R74 HydrophobicContact CG-CG 4.45Å; L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 WeakPolarHBondContact O-CG 3.37Å; L70-R74 PolarHBondContact O-N 3.12Å; L70-V80 HydrophobicContact CD1-CB 4.12Å; L70-V80 HydrophobicContact CD1-CG1 3.61Å; L70-I83 HydrophobicContact CB-CD1 4.15Å; L70-I83 HydrophobicContact CD2-CD1 3.94Å; L70-I83 HydrophobicContact CG-CD1 4.44Å; L70-V126 HydrophobicContact CD1-CG1 4.22Å; L70-V126 HydrophobicContact CD1-CG2 4.09Å; L70-V126 HydrophobicContact CD2-CG1 4.26Å; L70-V126 HydrophobicContact CD2-CG2 4.35Å
71	D	98.8	Very high	98.8	Very high	47 Å²	47	47.2 Å²	47.2	25%	0.251	26%	0.257	S	S	.	.	H	α-helix	trans	-64.3	-39	-178.9	-68.2	-29.4	0	0	0	111.5	Q67 K68 K69 M73 R74 N75	Q67-D71 VanDerWaalsContact NE2-CG 3.27Å; Q67-D71 PolarHBondContact NE2-OD1 3.4Å; Q67-D71 VanDerWaalsContact NE2-OD1 3.08Å; Q67-D71 PolarHBondContact NE2-OD2 3.42Å; Q67-D71 VanDerWaalsContact O-CG 3.29Å; Q67-D71 PolarHBondContact O-N 3.36Å; K68-D71 PolarHBondContact O-N 3.21Å; K69-D71 PolarHBondContact O-N 3.01Å; D71-M73 PolarHBondContact O-N 3.47Å; D71-R74 IonicContact OD1-CZ 3.35Å; D71-R74 IonicContact OD1-NE 3.02Å; D71-R74 IonicContact OD1-NH2 3.06Å; D71-R74 PolarHBondContact OD1-NH2 3.44Å; D71-N75 WeakPolarHBondContact O-CB 3.47Å; D71-N75 PolarHBondContact O-N 2.89Å; D71-N75 PolarHBondContact O-ND2 3.2Å
72	T	98.9	Very high	98.8	Very high	57 Å²	57	45.6 Å²	45.6	35%	0.35	24%	0.24	S	C	.	.	H	α-helix	trans	-59.6	-47.8	177	-59.4	0	0	0	0	111.1	K68 K69 L70 A76 I353	K68-T72 WeakPolarHBondContact O-CB 3.36Å; K68-T72 PolarHBondContact O-N 2.69Å; K68-T72 PolarHBondContact O-OG1 3.21Å; K69-T72 PolarHBondContact O-N 3.36Å; L70-T72 VanDerWaalsContact C-N 3.32Å; L70-T72 PolarHBondContact O-N 2.96Å; T72-A76 PolarHBondContact O-N 3.23Å; T72-I353 HydrophobicContact CG2-CD1 4.05Å
73	M	98.9	Very high	98.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.1	-46.9	-179.2	-63.7	-57.6	-84.6	0	0	112	L57 K69 L70 D71 N75 A76 G77 V78 V80 F346 D347 I353 F356	L57-M73 HydrophobicContact CD1-CB 4.22Å; L57-M73 HydrophobicContact CD1-CG 3.93Å; K69-M73 WeakPolarHBondContact O-CG 3.35Å; K69-M73 PolarHBondContact O-N 2.85Å; L70-M73 PolarHBondContact O-N 3.33Å; D71-M73 PolarHBondContact O-N 3.47Å; M73-N75 PolarHBondContact O-N 2.71Å; M73-A76 PolarHBondContact O-N 2.62Å; M73-G77 PolarHBondContact O-N 3.45Å; M73-V78 HydrophobicContact CB-CB 4.05Å; M73-V78 HydrophobicContact CB-CG1 4.47Å; M73-V78 HydrophobicContact CB-CG2 4.14Å; M73-V78 HydrophobicContact CE-CB 4.43Å; M73-V78 HydrophobicContact CE-CG1 4.14Å; M73-V78 HydrophobicContact CE-CG2 3.8Å; M73-V78 VanDerWaalsContact O-CB 3.26Å; M73-V78 WeakPolarHBondContact O-CB 3.25Å; M73-V78 VanDerWaalsContact O-CG2 3.25Å; M73-V78 WeakPolarHBondContact O-CG2 3.37Å; M73-V78 PolarHBondContact O-N 2.78Å; M73-V78 VanDerWaalsContact O-N 3.12Å; M73-V78 HydrophobicContact SD-CG2 4.32Å; M73-V80 HydrophobicContact CB-CG2 4.07Å; M73-F346 HydrophobicContact CE-CB 4.13Å; M73-F346 HydrophobicContact CE-CD2 3.58Å; M73-F346 HydrophobicContact CE-CE2 4.42Å; M73-F346 HydrophobicContact CE-CG 4.23Å; M73-F346 HydrophobicContact CG-CD2 3.88Å; M73-F346 HydrophobicContact CG-CE2 3.78Å; M73-F346 HydrophobicContact SD-CD2 3.62Å; M73-F346 HydrophobicContact SD-CE2 4.08Å; M73-D347 HydrophobicContact SD-CB 4.38Å; M73-I353 HydrophobicContact SD-CB 4.4Å; M73-I353 HydrophobicContact SD-CG1 3.85Å; M73-I353 HydrophobicContact SD-CG2 3.99Å; M73-F356 HydrophobicContact CE-CB 3.85Å; M73-F356 HydrophobicContact CE-CD1 4.44Å; M73-F356 HydrophobicContact CE-CG 4.1Å
74	R	98.8	Very high	98.9	Very high	70 Å²	70	45.5 Å²	45.5	26%	0.264	24%	0.238	S	C	.	.	H	α-helix	trans	-63.9	-42.7	179.5	-70.1	-169.4	-52	174.8	3	112.4	L70 D71 A76 G77 V80 E124	L70-R74 HydrophobicContact CD1-CG 3.94Å; L70-R74 HydrophobicContact CG-CG 4.45Å; L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 WeakPolarHBondContact O-CG 3.37Å; L70-R74 PolarHBondContact O-N 3.12Å; D71-R74 IonicContact OD1-CZ 3.35Å; D71-R74 IonicContact OD1-NE 3.02Å; D71-R74 IonicContact OD1-NH2 3.06Å; D71-R74 PolarHBondContact OD1-NH2 3.44Å; R74-A76 PolarHBondContact O-N 3.06Å; R74-G77 PolarHBondContact O-N 3.06Å; R74-V80 HydrophobicContact CG-CB 4.34Å; R74-V80 HydrophobicContact CG-CG2 4.27Å; R74-E124 IonicContact CZ-OE2 3.03Å; R74-E124 IonicContact NH1-OE2 2.81Å; R74-E124 PolarHBondContact NH1-OE2 3.19Å; R74-E124 IonicContact NH2-OE2 3.36Å; R74-E124 PolarHBondContact NH2-OE2 2.85Å
75	N	98.7	Very high	98.9	Very high	141 Å²	141	37.7 Å²	37.7	75%	0.754	20%	0.202	S	C	*	.	H	α-helix	trans	-64.2	-23.5	179.2	-69	-20.6	0	0	0	112.4	D71 M73 G77	D71-N75 WeakPolarHBondContact O-CB 3.47Å; D71-N75 PolarHBondContact O-N 2.89Å; D71-N75 PolarHBondContact O-ND2 3.2Å; M73-N75 PolarHBondContact O-N 2.71Å; N75-G77 VanDerWaalsContact C-N 3.35Å
76	A	98.8	Very high	98.9	Very high	52 Å²	52	36 Å²	36	43%	0.43	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	4.5	173.3	0	0	0	0	0	113.9	T72 M73 R74 I353	T72-A76 PolarHBondContact O-N 3.23Å; M73-A76 PolarHBondContact O-N 2.62Å; R74-A76 PolarHBondContact O-N 3.06Å; A76-I353 HydrophobicContact CB-CG2 3.26Å
77	G	98.8	Very high	98.8	Very high	33 Å²	33	36.2 Å²	36.2	34%	0.34	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	2.5	174.5	0	0	0	0	0	115.7	M73 R74 N75 K79	M73-G77 PolarHBondContact O-N 3.45Å; R74-G77 PolarHBondContact O-N 3.06Å; N75-G77 VanDerWaalsContact C-N 3.35Å; G77-K79 PolarHBondContact O-NZ 3.12Å; G77-K79 VanDerWaalsContact O-NZ 3.11Å
78	V	98.9	Very high	98.8	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.036	18%	0.182	C	C	.	.			trans	-63.4	133.5	176.6	-174.1	0	0	0	0	110	V55 M73 V80 I353 F356 A357 T360	V55-V78 HydrophobicContact CG1-CG1 4.07Å; M73-V78 HydrophobicContact CB-CB 4.05Å; M73-V78 HydrophobicContact CB-CG1 4.47Å; M73-V78 HydrophobicContact CB-CG2 4.14Å; M73-V78 HydrophobicContact CE-CB 4.43Å; M73-V78 HydrophobicContact CE-CG1 4.14Å; M73-V78 HydrophobicContact CE-CG2 3.8Å; M73-V78 VanDerWaalsContact O-CB 3.26Å; M73-V78 WeakPolarHBondContact O-CB 3.25Å; M73-V78 VanDerWaalsContact O-CG2 3.25Å; M73-V78 WeakPolarHBondContact O-CG2 3.37Å; M73-V78 PolarHBondContact O-N 2.78Å; M73-V78 VanDerWaalsContact O-N 3.12Å; M73-V78 HydrophobicContact SD-CG2 4.32Å; V78-V80 HydrophobicContact CB-CG2 4.24Å; V78-V80 HydrophobicContact CG1-CG2 3.91Å; V78-V80 PolarHBondContact O-N 3.23Å; V78-I353 HydrophobicContact CG2-CG2 4.12Å; V78-F356 HydrophobicContact CG1-CB 4.3Å; V78-F356 HydrophobicContact CG2-CB 4.31Å; V78-A357 HydrophobicContact CG2-CB 3.82Å; V78-T360 HydrophobicContact CG1-CG2 4Å
79	K	98.9	Very high	98.8	Very high	84 Å²	84	27.2 Å²	27.2	37%	0.365	15%	0.152	S	C	.	.			trans	-81.5	113	173.8	-42.8	-55.5	176.8	-149.5	0	108.1	D53 G54 V55 G77 T360 T364	D53-K79 WeakPolarHBondContact O-CB 3.44Å; G54-K79 CarbonylContact C-O 3.23Å; G54-K79 VanDerWaalsContact CA-O 3.22Å; G54-K79 WeakPolarHBondContact CA-O 3.44Å; V55-K79 PolarHBondContact N-O 2.85Å; G77-K79 PolarHBondContact O-NZ 3.12Å; G77-K79 VanDerWaalsContact O-NZ 3.11Å; K79-T360 PolarHBondContact N-OG1 3.29Å; K79-T360 VanDerWaalsContact N-OG1 3.14Å; K79-T364 HydrophobicContact CB-CG2 3.75Å; K79-T364 HydrophobicContact CG-CG2 3.9Å
80	V	98.9	Very high	98.8	Very high	14 Å²	14	25.7 Å²	25.7	9%	0.085	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.8	-176.5	-178.4	0	0	0	0	108.1	V55 L57 L70 M73 R74 V78	V55-V80 HydrophobicContact CG1-CG2 4.37Å; V55-V80 WeakPolarHBondContact O-CA 3.5Å; L57-V80 HydrophobicContact CD1-CG1 3.91Å; L57-V80 HydrophobicContact CD1-CG2 4.15Å; L57-V80 HydrophobicContact CG-CG1 3.98Å; L57-V80 HydrophobicContact CG-CG2 4.49Å; L70-V80 HydrophobicContact CD1-CB 4.12Å; L70-V80 HydrophobicContact CD1-CG1 3.61Å; M73-V80 HydrophobicContact CB-CG2 4.07Å; R74-V80 HydrophobicContact CG-CB 4.34Å; R74-V80 HydrophobicContact CG-CG2 4.27Å; V78-V80 HydrophobicContact CB-CG2 4.24Å; V78-V80 HydrophobicContact CG1-CG2 3.91Å; V78-V80 PolarHBondContact O-N 3.23Å
81	N	98.9	Very high	98.7	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.011	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-12.9	179.7	68.5	-9.9	0	0	0	113.5	W50 I51 D53 G54 V55 T56 Q127	W50-N81 HydrophobicContact CE3-CB 4.47Å; W50-N81 VanDerWaalsContact O-CB 3.25Å; W50-N81 WeakPolarHBondContact O-CB 3.16Å; W50-N81 PolarHBondContact O-ND2 3.39Å; I51-N81 WeakPolarHBondContact CA-ND2 3.48Å; I51-N81 PolarHBondContact O-ND2 2.98Å; D53-N81 HydrophobicContact CB-CB 4.11Å; G54-N81 PolarHBondContact O-ND2 2.82Å; V55-N81 PolarHBondContact O-N 3.32Å; V55-N81 VanDerWaalsContact O-N 3.13Å; V55-N81 PolarHBondContact O-OD1 3.32Å; T56-N81 WeakPolarHBondContact CA-OD1 3.32Å; T56-N81 PolarHBondContact N-OD1 3.21Å; T56-N81 VanDerWaalsContact N-OD1 3.08Å; T56-N81 PolarHBondContact OG1-OD1 2.9Å; N81-Q127 PolarHBondContact O-N 3.45Å
82	G	98.9	Very high	98.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	165.7	-177.4	0	0	0	0	0	114.8	T56 L57 Q127	T56-G82 WeakPolarHBondContact CA-O 3.29Å; L57-G82 PolarHBondContact N-O 3.1Å; G82-Q127 CarbonylContact C-O 3.05Å; G82-Q127 WeakPolarHBondContact CA-O 3.35Å
83	I	99	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.9	167.9	-66.9	157.7	0	0	0	107.2	I59 C66 L70 W121 V126 Q127 F128 L129	I59-I83 HydrophobicContact CD1-CG2 4.38Å; C66-I83 HydrophobicContact CB-CD1 4.21Å; C66-I83 HydrophobicContact CB-CG2 4.19Å; L70-I83 HydrophobicContact CB-CD1 4.15Å; L70-I83 HydrophobicContact CD2-CD1 3.94Å; L70-I83 HydrophobicContact CG-CD1 4.44Å; I83-W121 HydrophobicContact CD1-CD2 4.03Å; I83-W121 HydrophobicContact CD1-CE3 4.27Å; I83-W121 HydrophobicContact CD1-CH2 4.03Å; I83-W121 HydrophobicContact CD1-CZ2 3.75Å; I83-W121 HydrophobicContact CD1-CZ3 4.28Å; I83-V126 HydrophobicContact CD1-CG1 4.25Å; I83-V126 HydrophobicContact CG1-CG1 4.25Å; I83-Q127 PolarHBondContact N-O 3.32Å; I83-F128 CarbonylContact O-C 3.5Å; I83-L129 PolarHBondContact O-N 3.18Å
84	W	98.9	Very high	97.7	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.011	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.9	169.3	173.4	54.6	0	0	0	109.7	T56 L57 G58 I59 Q86 L129 A130 Y131 M201 F251 R333 H335	T56-W84 HydrophobicContact CG2-CB 3.65Å; L57-W84 PolarHBondContact O-N 2.9Å; G58-W84 CarbonylContact C-O 3.6Å; G58-W84 WeakPolarHBondContact CA-O 3.41Å; I59-W84 PolarHBondContact N-O 3.29Å; W84-Q86 HydrophobicContact CH2-CB 4.44Å; W84-Q86 HydrophobicContact CZ2-CB 3.82Å; W84-L129 WeakPolarHBondContact CA-O 3.32Å; W84-L129 HydrophobicContact CB-CB 4.02Å; W84-L129 HydrophobicContact CG-CB 4.29Å; W84-A130 PolarHBondContact NE1-O 3.48Å; W84-Y131 HydrophobicContact CZ2-CD2 4.37Å; W84-M201 HydrophobicContact CH2-CE 3.38Å; W84-M201 HydrophobicContact CH2-SD 4.17Å; W84-M201 HydrophobicContact CZ2-CB 3.9Å; W84-M201 HydrophobicContact CZ2-CE 3.46Å; W84-M201 VanDerWaalsContact CZ2-CE 3.46Å; W84-M201 HydrophobicContact CZ2-CG 4.42Å; W84-M201 HydrophobicContact CZ2-SD 3.77Å; W84-M201 HydrophobicContact CZ3-CE 4.35Å; W84-F251 HydrophobicContact CD2-CZ 4.38Å; W84-F251 HydrophobicContact CG-CZ 4.49Å; W84-R333 HydrophobicContact CE3-CG 4.44Å; W84-H335 AromaticContact CH2-CD2 3.49Å; W84-H335 VanDerWaalsContact CH2-CD2 3.49Å; W84-H335 WeakPolarHBondContact CH2-CD2 3.41Å; W84-H335 AromaticContact CH2-CE1 3.97Å; W84-H335 AromaticContact CH2-NE2 3.39Å; W84-H335 WeakPolarHBondContact CH2-NE2 3.38Å; W84-H335 HydrophobicContact CZ3-CB 4.21Å; W84-H335 AromaticContact CZ3-CD2 3.52Å; W84-H335 AromaticContact CZ3-CG 3.71Å; W84-H335 AromaticContact CZ3-NE2 3.8Å
85	A	98.9	Very high	97.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.192	C	C	.	.			trans	-124	95.1	-177.4	0	0	0	0	0	110.7	I59 D87 W88 Y111 F128 L129	I59-A85 WeakPolarHBondContact O-CA 3.48Å; A85-D87 VanDerWaalsContact C-N 3.28Å; A85-D87 PolarHBondContact O-N 3.35Å; A85-W88 WeakPolarHBondContact O-CB 3.27Å; A85-W88 PolarHBondContact O-N 3.33Å; A85-Y111 HydrophobicContact CB-CE1 4.01Å; A85-Y111 WeakPolarHBondContact CB-OH 3.45Å; A85-F128 HydrophobicContact CB-CE2 3.72Å; A85-F128 HydrophobicContact CB-CZ 3.91Å; A85-L129 PolarHBondContact N-O 2.96Å
86	Q	98.6	Very high	96.1	Very high	22 Å²	22	30.7 Å²	30.7	10%	0.103	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-68.8	-24.6	-176.5	64.9	173.4	1.7	0	0	113.8	Q60 W84 W88 V100 Y131	Q60-Q86 HydrophobicContact CG-CG 4.01Å; W84-Q86 HydrophobicContact CH2-CB 4.44Å; W84-Q86 HydrophobicContact CZ2-CB 3.82Å; Q86-W88 PolarHBondContact O-N 3.38Å; Q86-V100 HydrophobicContact CB-CG2 3.94Å; Q86-V100 HydrophobicContact CG-CG2 3.69Å; Q86-V100 WeakPolarHBondContact O-CG1 3.08Å; Q86-V100 WeakPolarHBondContact O-CG2 3.33Å; Q86-Y131 HydrophobicContact CB-CD2 4.07Å; Q86-Y131 HydrophobicContact CB-CG 4.11Å
87	D	98.6	Very high	95	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-86.1	19.4	176	68.9	-41.3	0	0	0	113.2	Q60 G61 A85 S89 G90 I91 N110 Y111	Q60-D87 VanDerWaalsContact CA-OD1 3.28Å; Q60-D87 WeakPolarHBondContact CA-OD1 3.41Å; Q60-D87 WeakPolarHBondContact CB-OD1 3.46Å; G61-D87 PolarHBondContact N-OD2 3.12Å; A85-D87 VanDerWaalsContact C-N 3.28Å; A85-D87 PolarHBondContact O-N 3.35Å; D87-S89 PolarHBondContact O-N 3.36Å; D87-S89 VanDerWaalsContact O-N 3.16Å; D87-G90 WeakPolarHBondContact O-CA 3.22Å; D87-G90 PolarHBondContact O-N 2.86Å; D87-I91 HydrophobicContact CB-CG1 3.99Å; D87-N110 PolarHBondContact O-ND2 3.06Å; D87-N110 PolarHBondContact OD2-ND2 3.11Å; D87-Y111 WeakPolarHBondContact O-CE2 3.49Å; D87-Y111 PolarHBondContact OD1-OH 2.91Å
88	W	98.9	Very high	94.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-55.1	-29.4	173.8	78.3	-69.3	0	0	0	113.2	A85 Q86 G90 W104 W106 N107 F128 A130 Y131 N191 M192 L195	A85-W88 WeakPolarHBondContact O-CB 3.27Å; A85-W88 PolarHBondContact O-N 3.33Å; Q86-W88 PolarHBondContact O-N 3.38Å; W88-G90 VanDerWaalsContact C-N 3.33Å; W88-W104 HydrophobicContact CZ2-CB 4.45Å; W88-W106 HydrophobicContact CE3-CB 3.92Å; W88-W106 HydrophobicContact CZ3-CB 3.88Å; W88-W106 VanDerWaalsContact CZ3-N 3.26Å; W88-N107 PolarHBondContact O-N 3.48Å; W88-F128 HydrophobicContact CB-CE1 4.43Å; W88-F128 HydrophobicContact CB-CZ 4.05Å; W88-A130 HydrophobicContact CD2-CB 3.86Å; W88-A130 HydrophobicContact CE3-CB 4.47Å; W88-A130 HydrophobicContact CG-CB 3.92Å; W88-A130 HydrophobicContact CZ2-CB 4.42Å; W88-Y131 PolarHBondContact NE1-O 2.9Å; W88-N191 HydrophobicContact CH2-CB 4.42Å; W88-N191 WeakPolarHBondContact CH2-O 3.18Å; W88-N191 WeakPolarHBondContact CZ3-O 3.38Å; W88-M192 HydrophobicContact CH2-CG 3.59Å; W88-M192 HydrophobicContact CZ2-CE 4.26Å; W88-M192 HydrophobicContact CZ2-CG 3.84Å; W88-M192 HydrophobicContact CZ2-SD 4.22Å; W88-M192 HydrophobicContact CZ3-CG 4.46Å; W88-L195 HydrophobicContact CE3-CD2 4.08Å; W88-L195 HydrophobicContact CZ3-CD2 3.84Å
89	S	98.9	Very high	94	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.035	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-87.3	-0.9	175.6	57.4	0	0	0	0	113.8	D87 V100 M101 N103 K105 N107	D87-S89 PolarHBondContact O-N 3.36Å; D87-S89 VanDerWaalsContact O-N 3.16Å; S89-V100 WeakPolarHBondContact OG-CG1 3.42Å; S89-M101 VanDerWaalsContact CB-O 3.31Å; S89-M101 WeakPolarHBondContact CB-O 3.37Å; S89-M101 WeakPolarHBondContact O-CB 3.47Å; S89-M101 PolarHBondContact OG-O 3.24Å; S89-N103 VanDerWaalsContact CB-O 3.3Å; S89-N103 WeakPolarHBondContact CB-O 3.26Å; S89-K105 WeakPolarHBondContact CA-O 3.3Å; S89-N107 VanDerWaalsContact C-CB 3.46Å; S89-N107 WeakPolarHBondContact O-CB 3.25Å
90	G	98.5	Very high	93.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.			trans	105.2	-179.1	-179.7	0	0	0	0	0	113.6	D87 W88 M101	D87-G90 WeakPolarHBondContact O-CA 3.22Å; D87-G90 PolarHBondContact O-N 2.86Å; W88-G90 VanDerWaalsContact C-N 3.33Å; G90-M101 WeakPolarHBondContact O-CB 3.42Å; G90-M101 PolarHBondContact O-N 3.19Å
91	I	97.3	Very high	93.9	Very high	55 Å²	55	33.3 Å²	33.3	28%	0.282	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.9	-172.2	-59.2	169	0	0	0	109.3	D87 M93 K98	D87-I91 HydrophobicContact CB-CG1 3.99Å; I91-M93 HydrophobicContact CG2-SD 4.08Å; I91-K98 HydrophobicContact CG2-CB 4.17Å; I91-K98 HydrophobicContact CG2-CD 4.39Å; I91-K98 HydrophobicContact CG2-CG 4.07Å
92	R	96	Very high	93.9	Very high	31 Å²	31	33.3 Å²	33.3	12%	0.117	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.6	164.5	-177.7	177.8	-62.9	-85.1	-0.2	108.5	T94 R99 M101 D139	R92-T94 HydrophobicContact CG-CG2 4.13Å; R92-R99 PolarHBondContact N-O 2.67Å; R92-R99 PolarHBondContact O-N 2.8Å; R92-M101 HydrophobicContact CB-CE 4.08Å; R92-M101 PolarHBondContact NH2-SD 2.97Å; R92-D139 IonicContact CZ-OD1 3.47Å; R92-D139 IonicContact CZ-OD2 2.73Å; R92-D139 IonicContact NH1-OD1 3.29Å; R92-D139 IonicContact NH1-OD2 3.76Å; R92-D139 PolarHBondContact NH1-OD2 2.58Å; R92-D139 VanDerWaalsContact NH2-CG 3.26Å; R92-D139 IonicContact NH2-OD1 3.94Å; R92-D139 PolarHBondContact NH2-OD1 2.95Å; R92-D139 IonicContact NH2-OD2 2.86Å; R92-D139 PolarHBondContact NH2-OD2 2.93Å
93	M	90.7	Very high	93.9	Very high	130 Å²	130	34 Å²	34	64%	0.64	18%	0.175	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.1	172.1	-62.8	-58.8	-57.2	0	0	109.3	I91 K98	I91-M93 HydrophobicContact CG2-SD 4.08Å; M93-K98 HydrophobicContact CE-CG 4.05Å; M93-K98 HydrophobicContact SD-CG 3.6Å
94	T	89	Confident	93.9	Very high	17 Å²	17	34 Å²	34	10%	0.104	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	170.8	171.3	72.7	0	0	0	0	110.1	R92 F96 G97 R99 E167 F168	R92-T94 HydrophobicContact CG-CG2 4.13Å; T94-F96 PolarHBondContact O-N 3.08Å; T94-F96 PolarHBondContact OG1-N 3.45Å; T94-G97 PolarHBondContact N-O 2.88Å; T94-G97 PolarHBondContact O-N 2.92Å; T94-G97 PolarHBondContact OG1-O 3.48Å; T94-R99 HydrophobicContact CG2-CG 4.25Å; T94-E167 WeakPolarHBondContact CA-OE2 3.36Å; T94-E167 WeakPolarHBondContact CB-OE2 3.49Å; T94-F168 HydrophobicContact CG2-CD1 4.35Å
95	S	85.9	Confident	93.9	Very high	101 Å²	101	37.4 Å²	37.4	71%	0.706	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24	172.5	58.3	0	0	0	0	113.4	G97 E167	S95-G97 VanDerWaalsContact C-N 3.32Å; S95-E167 WeakPolarHBondContact CB-OE1 3.14Å; S95-E167 PolarHBondContact N-OE2 3.24Å; S95-E167 VanDerWaalsContact OG-CD 3.27Å; S95-E167 PolarHBondContact OG-OE1 3.3Å
96	F	77.2	Confident	93.9	Very high	86 Å²	86	40.9 Å²	40.9	38%	0.377	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-22.7	175.2	-171.3	-98.1	0	0	0	113.1	T94 L309 N338	T94-F96 PolarHBondContact O-N 3.08Å; T94-F96 PolarHBondContact OG1-N 3.45Å; F96-L309 HydrophobicContact CD2-CD2 4.36Å; F96-L309 HydrophobicContact CE2-CD1 4Å; F96-L309 HydrophobicContact CE2-CD2 3.4Å; F96-L309 VanDerWaalsContact CE2-CD2 3.4Å; F96-L309 HydrophobicContact CE2-CG 4.26Å; F96-L309 HydrophobicContact CZ-CD1 4.1Å; F96-L309 HydrophobicContact CZ-CD2 3.67Å; F96-L309 HydrophobicContact CZ-CG 4.25Å; F96-N338 HydrophobicContact CE1-CB 3.86Å; F96-N338 VanDerWaalsContact CE1-ND2 3.33Å; F96-N338 WeakPolarHBondContact CE1-ND2 3.35Å; F96-N338 HydrophobicContact CZ-CB 4.46Å; F96-N338 VanDerWaalsContact CZ-ND2 3.31Å; F96-N338 WeakPolarHBondContact CZ-ND2 3.31Å
97	G	76.4	Confident	93.9	Very high	23 Å²	23	42.1 Å²	42.1	24%	0.237	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.5	-159.4	-177.8	0	0	0	0	0	112.6	T94 S95	T94-G97 PolarHBondContact N-O 2.88Å; T94-G97 PolarHBondContact O-N 2.92Å; T94-G97 PolarHBondContact OG1-O 3.48Å; S95-G97 VanDerWaalsContact C-N 3.32Å
98	K	85.2	Confident	93.9	Very high	128 Å²	128	45 Å²	45	56%	0.557	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.6	171.7	-70.4	179.8	179.5	-174.8	0	109.1	I91 M93	I91-K98 HydrophobicContact CG2-CB 4.17Å; I91-K98 HydrophobicContact CG2-CD 4.39Å; I91-K98 HydrophobicContact CG2-CG 4.07Å; M93-K98 HydrophobicContact CE-CG 4.05Å; M93-K98 HydrophobicContact SD-CG 3.6Å
99	R	91.1	Very high	93.9	Very high	62 Å²	62	53.3 Å²	53.3	23%	0.234	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	160.6	168.9	-60.2	-156.9	71.8	-176.5	-0.6	110.3	R92 T94 F165	R92-R99 PolarHBondContact N-O 2.67Å; R92-R99 PolarHBondContact O-N 2.8Å; T94-R99 HydrophobicContact CG2-CG 4.25Å; R99-F165 PolarHBondContact NH1-O 3.39Å
100	V	97.1	Very high	93.9	Very high	10 Å²	10	54.8 Å²	54.8	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	141.1	172.5	177.4	0	0	0	0	109.7	Q86 S89 W102 W104 Y131	Q86-V100 HydrophobicContact CB-CG2 3.94Å; Q86-V100 HydrophobicContact CG-CG2 3.69Å; Q86-V100 WeakPolarHBondContact O-CG1 3.08Å; Q86-V100 WeakPolarHBondContact O-CG2 3.33Å; S89-V100 WeakPolarHBondContact OG-CG1 3.42Å; V100-W102 VanDerWaalsContact O-CD1 3.23Å; V100-W102 PolarHBondContact O-N 3.43Å; V100-W104 HydrophobicContact CG1-CZ3 4.28Å; V100-Y131 HydrophobicContact CG1-CD1 4.2Å
101	M	98.6	Very high	93.9	Very high	21 Å²	21	54.8 Å²	54.8	10%	0.103	28%	0.277	C	S	.	.			trans	-77	112.9	170.8	179.8	60.8	68.9	0	0	110.2	S89 G90 R92 N103 K140	S89-M101 VanDerWaalsContact CB-O 3.31Å; S89-M101 WeakPolarHBondContact CB-O 3.37Å; S89-M101 WeakPolarHBondContact O-CB 3.47Å; S89-M101 PolarHBondContact OG-O 3.24Å; G90-M101 WeakPolarHBondContact O-CB 3.42Å; G90-M101 PolarHBondContact O-N 3.19Å; R92-M101 HydrophobicContact CB-CE 4.08Å; R92-M101 PolarHBondContact NH2-SD 2.97Å; M101-N103 PolarHBondContact O-N 3.49Å; M101-K140 HydrophobicContact SD-CD 4.25Å; M101-K140 WeakPolarHBondContact SD-CE 3.22Å; M101-K140 HydrophobicContact SD-CG 4.01Å
102	W	98.7	Very high	93.9	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.011	28%	0.283	C	S	.	.	S	Bend	trans	-80.7	63.7	-174.9	-62.9	-4.5	0	0	0	113.3	V100 W104 N133 Y135 A137 F165 F168 F204	V100-W102 VanDerWaalsContact O-CD1 3.23Å; V100-W102 PolarHBondContact O-N 3.43Å; W102-W104 HydrophobicContact CB-CH2 3.73Å; W102-W104 HydrophobicContact CB-CZ2 3.76Å; W102-W104 AromaticContact CD1-CH2 3.45Å; W102-W104 VanDerWaalsContact CD1-CH2 3.45Å; W102-W104 AromaticContact CG-CH2 3.64Å; W102-W104 HydrophobicContact CG-CH2 3.64Å; W102-W104 AromaticContact CG-CZ2 3.99Å; W102-W104 HydrophobicContact CG-CZ2 3.99Å; W102-N133 VanDerWaalsContact CE2-ND2 3.29Å; W102-Y135 HydrophobicContact CZ3-CD2 4.34Å; W102-Y135 HydrophobicContact CZ3-CG 4.48Å; W102-A137 HydrophobicContact CB-CB 4.18Å; W102-A137 WeakPolarHBondContact O-CB 3.25Å; W102-A137 PolarHBondContact O-N 3.31Å; W102-F165 HydrophobicContact CE3-CD2 4.4Å; W102-F165 HydrophobicContact CE3-CE2 4.49Å; W102-F165 HydrophobicContact CH2-CB 4.29Å; W102-F165 AromaticContact CH2-CD1 3.54Å; W102-F165 HydrophobicContact CH2-CD1 3.54Å; W102-F165 HydrophobicContact CH2-CD2 4.08Å; W102-F165 AromaticContact CH2-CE1 3.73Å; W102-F165 HydrophobicContact CH2-CE1 3.73Å; W102-F165 HydrophobicContact CH2-CE2 4.24Å; W102-F165 AromaticContact CH2-CG 3.71Å; W102-F165 HydrophobicContact CH2-CG 3.71Å; W102-F165 HydrophobicContact CH2-CZ 4.07Å; W102-F165 HydrophobicContact CZ3-CB 4.34Å; W102-F165 AromaticContact CZ3-CD1 3.8Å; W102-F165 HydrophobicContact CZ3-CD1 3.8Å; W102-F165 AromaticContact CZ3-CD2 3.47Å; W102-F165 HydrophobicContact CZ3-CD2 3.47Å; W102-F165 VanDerWaalsContact CZ3-CD2 3.47Å; W102-F165 AromaticContact CZ3-CE1 3.84Å; W102-F165 HydrophobicContact CZ3-CE1 3.84Å; W102-F165 AromaticContact CZ3-CE2 3.51Å; W102-F165 HydrophobicContact CZ3-CE2 3.51Å; W102-F165 AromaticContact CZ3-CG 3.6Å; W102-F165 HydrophobicContact CZ3-CG 3.6Å; W102-F165 AromaticContact CZ3-CZ 3.7Å; W102-F165 HydrophobicContact CZ3-CZ 3.7Å; W102-F168 AromaticContact CD2-CE2 3.89Å; W102-F168 HydrophobicContact CD2-CE2 3.89Å; W102-F168 HydrophobicContact CD2-CZ 4.25Å; W102-F168 AromaticContact CE3-CE2 3.62Å; W102-F168 HydrophobicContact CE3-CE2 3.62Å; W102-F168 HydrophobicContact CE3-CZ 4.2Å; W102-F168 HydrophobicContact CH2-CE2 4.27Å; W102-F168 HydrophobicContact CH2-CZ 4.08Å; W102-F168 HydrophobicContact CZ2-CZ 4.15Å; W102-F168 AromaticContact CZ3-CE2 3.82Å; W102-F168 HydrophobicContact CZ3-CE2 3.82Å; W102-F168 HydrophobicContact CZ3-CZ 4.11Å; W102-F204 HydrophobicContact CH2-CE1 4.32Å; W102-F204 AromaticContact CH2-CE2 3.91Å; W102-F204 HydrophobicContact CH2-CE2 3.91Å; W102-F204 AromaticContact CH2-CZ 3.62Å; W102-F204 HydrophobicContact CH2-CZ 3.62Å; W102-F204 AromaticContact CZ2-CE2 3.74Å; W102-F204 HydrophobicContact CZ2-CE2 3.74Å; W102-F204 AromaticContact CZ2-CZ 3.79Å; W102-F204 HydrophobicContact CZ2-CZ 3.79Å
103	N	98.9	Very high	94.1	Very high	14 Å²	14	59.6 Å²	59.6	8%	0.075	31%	0.305	C	S	.	.	S	Bend	trans	-140.8	103.6	170.6	-175.9	74.1	0	0	0	107.7	S89 M101 K105 K140 L142	S89-N103 VanDerWaalsContact CB-O 3.3Å; S89-N103 WeakPolarHBondContact CB-O 3.26Å; M101-N103 PolarHBondContact O-N 3.49Å; N103-K105 PolarHBondContact O-N 2.92Å; N103-K140 HydrophobicContact CB-CB 3.69Å; N103-K140 HydrophobicContact CB-CD 4.42Å; N103-K140 HydrophobicContact CB-CG 3.84Å; N103-K140 WeakPolarHBondContact OD1-CB 3.5Å; N103-L142 WeakPolarHBondContact OD1-CB 3.5Å; N103-L142 WeakPolarHBondContact OD1-CG 3.41Å; N103-L142 PolarHBondContact OD1-N 2.9Å
104	W	98.9	Very high	94.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.275	C	S	.	.			trans	-75.3	60.7	-162.7	-44.1	121.9	0	0	0	113.7	W88 V100 W102 Y131 I132 N133 Y135 L142 F184 V187 N191	W88-W104 HydrophobicContact CZ2-CB 4.45Å; V100-W104 HydrophobicContact CG1-CZ3 4.28Å; W102-W104 HydrophobicContact CB-CH2 3.73Å; W102-W104 HydrophobicContact CB-CZ2 3.76Å; W102-W104 AromaticContact CD1-CH2 3.45Å; W102-W104 VanDerWaalsContact CD1-CH2 3.45Å; W102-W104 AromaticContact CG-CH2 3.64Å; W102-W104 HydrophobicContact CG-CH2 3.64Å; W102-W104 AromaticContact CG-CZ2 3.99Å; W102-W104 HydrophobicContact CG-CZ2 3.99Å; W104-Y131 HydrophobicContact CE3-CD1 4.45Å; W104-Y131 AromaticContact CH2-CD1 3.81Å; W104-Y131 HydrophobicContact CH2-CD1 3.81Å; W104-Y131 AromaticContact CH2-CE1 3.53Å; W104-Y131 HydrophobicContact CH2-CE1 3.53Å; W104-Y131 AromaticContact CZ3-CD1 3.5Å; W104-Y131 HydrophobicContact CZ3-CD1 3.5Å; W104-Y131 AromaticContact CZ3-CE1 3.75Å; W104-Y131 HydrophobicContact CZ3-CE1 3.75Å; W104-I132 HydrophobicContact CB-CD1 3.93Å; W104-I132 HydrophobicContact CB-CG1 4.28Å; W104-I132 HydrophobicContact CD2-CB 4.14Å; W104-I132 HydrophobicContact CD2-CD1 4.3Å; W104-I132 HydrophobicContact CD2-CG1 3.68Å; W104-I132 HydrophobicContact CE3-CB 4.31Å; W104-I132 HydrophobicContact CE3-CG1 4.35Å; W104-I132 HydrophobicContact CG-CB 4.36Å; W104-I132 HydrophobicContact CG-CD1 3.67Å; W104-I132 HydrophobicContact CG-CG1 3.6Å; W104-N133 HydrophobicContact CH2-CB 4.46Å; W104-N133 HydrophobicContact CZ2-CB 4.16Å; W104-N133 VanDerWaalsContact CZ2-OD1 3.28Å; W104-N133 WeakPolarHBondContact CZ2-OD1 3.46Å; W104-N133 PolarHBondContact NE1-O 2.92Å; W104-N133 VanDerWaalsContact NE1-O 3.1Å; W104-Y135 WeakPolarHBondContact CZ2-O 3.26Å; W104-Y135 PolarHBondContact NE1-O 2.91Å; W104-L142 HydrophobicContact CB-CD1 3.94Å; W104-L142 HydrophobicContact CG-CD1 4.27Å; W104-F184 AromaticContact CD1-CE2 3.74Å; W104-F184 AromaticContact CD1-CZ 3.52Å; W104-F184 AromaticContact NE1-CZ 3.6Å; W104-V187 HydrophobicContact CB-CG1 4.02Å; W104-N191 WeakPolarHBondContact O-CB 3.26Å; W104-N191 PolarHBondContact O-ND2 3.36Å
105	K	98.8	Very high	94.9	Very high	75 Å²	75	56.1 Å²	56.1	33%	0.326	29%	0.288	S	S	.	.	S	Bend	trans	-134.7	142.7	174	-75.6	178.9	177.3	173.2	0	108	S89 N103 N107 D141 N191	S89-K105 WeakPolarHBondContact CA-O 3.3Å; N103-K105 PolarHBondContact O-N 2.92Å; K105-N107 PolarHBondContact O-N 3.33Å; K105-D141 IonicContact NZ-OD2 3.59Å; K105-N191 VanDerWaalsContact CG-ND2 3.29Å; K105-N191 WeakPolarHBondContact CG-ND2 3.35Å
106	W	98.8	Very high	95.5	Very high	73 Å²	73	53.7 Å²	53.7	28%	0.277	27%	0.271	S	S	.	.			trans	-57.1	129.5	174.6	164.1	42.7	0	0	0	110.8	W88 Y111 L114 D115 L195	W88-W106 HydrophobicContact CE3-CB 3.92Å; W88-W106 HydrophobicContact CZ3-CB 3.88Å; W88-W106 VanDerWaalsContact CZ3-N 3.26Å; W106-Y111 VanDerWaalsContact CE2-O 3.28Å; W106-Y111 WeakPolarHBondContact CZ2-O 3.46Å; W106-Y111 PolarHBondContact NE1-O 2.99Å; W106-L114 HydrophobicContact CD2-CB 4.34Å; W106-L114 HydrophobicContact CG-CD2 4.15Å; W106-L114 HydrophobicContact CZ2-CB 3.79Å; W106-D115 HydrophobicContact CH2-CB 4.07Å; W106-D115 WeakPolarHBondContact CH2-OD1 3.32Å; W106-D115 HydrophobicContact CZ3-CB 3.88Å; W106-L195 HydrophobicContact CB-CD2 3.88Å; W106-L195 HydrophobicContact CE3-CD1 4.14Å; W106-L195 HydrophobicContact CG-CD2 4.4Å
107	N	98.8	Very high	96.6	Very high	48 Å²	48	51.5 Å²	51.5	26%	0.257	26%	0.261	S	S	.	.			trans	-96.7	102.7	174.2	-175.2	-39.8	0	0	0	110.2	W88 S89 K105 E109 N110 Y111	W88-N107 PolarHBondContact O-N 3.48Å; S89-N107 VanDerWaalsContact C-CB 3.46Å; S89-N107 WeakPolarHBondContact O-CB 3.25Å; K105-N107 PolarHBondContact O-N 3.33Å; N107-E109 VanDerWaalsContact C-N 3.29Å; N107-E109 PolarHBondContact O-N 2.92Å; N107-E109 WeakPolarHBondContact OD1-CB 3.24Å; N107-E109 PolarHBondContact OD1-N 2.74Å; N107-E109 VanDerWaalsContact OD1-N 3.09Å; N107-N110 HydrophobicContact CB-CB 4.36Å; N107-N110 PolarHBondContact O-N 3.43Å; N107-N110 PolarHBondContact OD1-N 2.8Å; N107-Y111 PolarHBondContact O-N 2.98Å
108	S	98.4	Very high	97.6	Very high	64 Å²	64	50.4 Å²	50.4	45%	0.448	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.3	-178.2	58.7	0	0	0	0	114.6	Y111 P112	S108-Y111 CarbonylContact O-C 3.53Å; S108-P112 WeakPolarHBondContact O-CA 3.47Å; S108-P112 VanDerWaalsContact O-N 3.14Å
109	E	98.5	Very high	98.3	Very high	173 Å²	173	51.1 Å²	51.1	81%	0.808	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-42.6	172.8	-66	-68	141.4	0	0	110.4	N107	N107-E109 VanDerWaalsContact C-N 3.29Å; N107-E109 PolarHBondContact O-N 2.92Å; N107-E109 WeakPolarHBondContact OD1-CB 3.24Å; N107-E109 PolarHBondContact OD1-N 2.74Å; N107-E109 VanDerWaalsContact OD1-N 3.09Å
110	N	98.4	Very high	98.6	Very high	36 Å²	36	52.6 Å²	52.6	19%	0.193	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-38.7	176.9	-159.4	48.8	0	0	0	111.7	G62 D87 N107 P112	G62-N110 WeakPolarHBondContact CA-O 3.3Å; D87-N110 PolarHBondContact O-ND2 3.06Å; D87-N110 PolarHBondContact OD2-ND2 3.11Å; N107-N110 HydrophobicContact CB-CB 4.36Å; N107-N110 PolarHBondContact O-N 3.43Å; N107-N110 PolarHBondContact OD1-N 2.8Å; N110-P112 VanDerWaalsContact C-CD 3.47Å; N110-P112 WeakPolarHBondContact O-CD 3.31Å
111	Y	98.8	Very high	98.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-122.3	69.1	-178.1	-81.4	-90.8	0	0	0	111.6	G62 T63 A85 D87 W106 N107 S108 Q113 L114	G62-Y111 VanDerWaalsContact C-CE1 3.44Å; G62-Y111 VanDerWaalsContact CA-CE1 3.49Å; G62-Y111 VanDerWaalsContact CA-CZ 3.44Å; G62-Y111 PolarHBondContact N-OH 3.31Å; T63-Y111 VanDerWaalsContact OG1-CA 3.27Å; T63-Y111 WeakPolarHBondContact OG1-CA 3.28Å; A85-Y111 HydrophobicContact CB-CE1 4.01Å; A85-Y111 WeakPolarHBondContact CB-OH 3.45Å; D87-Y111 WeakPolarHBondContact O-CE2 3.49Å; D87-Y111 PolarHBondContact OD1-OH 2.91Å; W106-Y111 VanDerWaalsContact CE2-O 3.28Å; W106-Y111 WeakPolarHBondContact CZ2-O 3.46Å; W106-Y111 PolarHBondContact NE1-O 2.99Å; N107-Y111 PolarHBondContact O-N 2.98Å; S108-Y111 CarbonylContact O-C 3.53Å; Y111-Q113 PolarHBondContact O-N 2.87Å; Y111-L114 HydrophobicContact CD1-CD1 4.17Å; Y111-L114 HydrophobicContact CD1-CD2 4.39Å; Y111-L114 HydrophobicContact CG-CD2 4.35Å; Y111-L114 WeakPolarHBondContact O-CB 3.32Å; Y111-L114 PolarHBondContact O-N 3.33Å
112	P	98.8	Very high	98.7	Very high	63 Å²	63	54 Å²	54	41%	0.409	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	140.7	178.6	25.6	-34.3	0	0	0	111	T63 S108 N110 L114	T63-P112 WeakPolarHBondContact CB-O 3.46Å; T63-P112 PolarHBondContact OG1-O 2.88Å; S108-P112 WeakPolarHBondContact O-CA 3.47Å; S108-P112 VanDerWaalsContact O-N 3.14Å; N110-P112 VanDerWaalsContact C-CD 3.47Å; N110-P112 WeakPolarHBondContact O-CD 3.31Å; P112-L114 PolarHBondContact O-N 3.05Å
113	Q	98.6	Very high	98.7	Very high	125 Å²	125	61.6 Å²	61.6	58%	0.584	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	19	177.2	-54.4	178.7	-48.6	0	0	115.7	Y111 D115 S116 R117	Y111-Q113 PolarHBondContact O-N 2.87Å; Q113-D115 VanDerWaalsContact C-N 3.32Å; Q113-D115 PolarHBondContact O-N 2.94Å; Q113-S116 PolarHBondContact O-N 3.04Å; Q113-S116 PolarHBondContact O-OG 2.79Å; Q113-R117 WeakPolarHBondContact O-CB 3.39Å; Q113-R117 PolarHBondContact O-N 3.08Å
114	L	98.8	Very high	98.7	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-56.9	-43.3	-176	-176.2	60.9	0	0	0	113	W106 Y111 P112 S116 R117 I118 W121 F128	W106-L114 HydrophobicContact CD2-CB 4.34Å; W106-L114 HydrophobicContact CG-CD2 4.15Å; W106-L114 HydrophobicContact CZ2-CB 3.79Å; Y111-L114 HydrophobicContact CD1-CD1 4.17Å; Y111-L114 HydrophobicContact CD1-CD2 4.39Å; Y111-L114 HydrophobicContact CG-CD2 4.35Å; Y111-L114 WeakPolarHBondContact O-CB 3.32Å; Y111-L114 PolarHBondContact O-N 3.33Å; P112-L114 PolarHBondContact O-N 3.05Å; L114-S116 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 3.24Å; L114-R117 PolarHBondContact O-N 3.02Å; L114-R117 VanDerWaalsContact O-N 3.1Å; L114-I118 HydrophobicContact CD1-CD1 4.11Å; L114-I118 HydrophobicContact CD1-CG1 3.91Å; L114-I118 HydrophobicContact CD2-CD1 4.39Å; L114-I118 HydrophobicContact CG-CD1 3.8Å; L114-I118 HydrophobicContact CG-CG1 4.08Å; L114-I118 WeakPolarHBondContact O-CB 3.38Å; L114-I118 VanDerWaalsContact O-CG1 3.25Å; L114-I118 WeakPolarHBondContact O-CG1 3.28Å; L114-I118 PolarHBondContact O-N 3.35Å; L114-W121 HydrophobicContact CD1-CH2 4.37Å; L114-W121 HydrophobicContact CD1-CZ3 3.84Å; L114-F128 HydrophobicContact CD1-CD2 4.11Å; L114-F128 HydrophobicContact CD1-CE1 4.35Å; L114-F128 HydrophobicContact CD1-CE2 3.79Å; L114-F128 HydrophobicContact CD1-CG 4.5Å; L114-F128 HydrophobicContact CD1-CZ 3.93Å; L114-F128 HydrophobicContact CD2-CE1 3.89Å; L114-F128 HydrophobicContact CD2-CE2 4.47Å; L114-F128 HydrophobicContact CD2-CZ 3.76Å; L114-F128 HydrophobicContact CG-CZ 4.42Å
115	D	98.6	Very high	98.7	Very high	74 Å²	74	68.6 Å²	68.6	40%	0.396	35%	0.35	S	S	.	.	H	α-helix	trans	-51.4	-46.9	176.4	63.6	-31	0	0	0	113.3	W106 Q113 L195	W106-D115 HydrophobicContact CH2-CB 4.07Å; W106-D115 WeakPolarHBondContact CH2-OD1 3.32Å; W106-D115 HydrophobicContact CZ3-CB 3.88Å; Q113-D115 VanDerWaalsContact C-N 3.32Å; Q113-D115 PolarHBondContact O-N 2.94Å; D115-L195 HydrophobicContact CB-CD1 4.09Å
116	S	98.8	Very high	98.7	Very high	50 Å²	50	65 Å²	65	35%	0.35	34%	0.335	S	S	.	.	H	α-helix	trans	-76.6	-34	176.9	68.9	0	0	0	0	112.3	Q113 L114 K119 Q120	Q113-S116 PolarHBondContact O-N 3.04Å; Q113-S116 PolarHBondContact O-OG 2.79Å; L114-S116 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 3.24Å; S116-K119 PolarHBondContact O-N 3.13Å; S116-Q120 PolarHBondContact O-N 2.92Å
117	R	98.8	Very high	98.7	Very high	39 Å²	39	63.5 Å²	63.5	15%	0.147	33%	0.331	C	S	.	.	H	α-helix	trans	-71.2	-37.1	-179.2	-175.2	58.6	59.4	80.1	15.4	112.4	T63 Q113 L114 K119 Q120 W121	T63-R117 HydrophobicContact CG2-CB 4.13Å; T63-R117 HydrophobicContact CG2-CG 3.85Å; Q113-R117 WeakPolarHBondContact O-CB 3.39Å; Q113-R117 PolarHBondContact O-N 3.08Å; L114-R117 PolarHBondContact O-N 3.02Å; L114-R117 VanDerWaalsContact O-N 3.1Å; R117-K119 VanDerWaalsContact C-N 3.26Å; R117-K119 PolarHBondContact O-N 3.13Å; R117-Q120 VanDerWaalsContact CD-OE1 3.31Å; R117-Q120 WeakPolarHBondContact O-CB 3.46Å; R117-Q120 PolarHBondContact O-N 3.42Å; R117-Q120 VanDerWaalsContact O-N 3.08Å; R117-W121 HydrophobicContact CG-CD2 3.74Å; R117-W121 VanDerWaalsContact CG-CE2 3.44Å; R117-W121 HydrophobicContact CG-CE3 3.94Å; R117-W121 HydrophobicContact CG-CG 4.47Å; R117-W121 HydrophobicContact CG-CH2 3.62Å; R117-W121 HydrophobicContact CG-CZ2 3.4Å; R117-W121 HydrophobicContact CG-CZ3 3.88Å; R117-W121 PolarHBondContact O-N 2.9Å
118	I	98.9	Very high	98.7	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-55.7	-44.5	172.5	-72	171.3	0	0	0	109.9	L114 Q120 W121 N122 F128 L195 G196	L114-I118 HydrophobicContact CD1-CD1 4.11Å; L114-I118 HydrophobicContact CD1-CG1 3.91Å; L114-I118 HydrophobicContact CD2-CD1 4.39Å; L114-I118 HydrophobicContact CG-CD1 3.8Å; L114-I118 HydrophobicContact CG-CG1 4.08Å; L114-I118 WeakPolarHBondContact O-CB 3.38Å; L114-I118 VanDerWaalsContact O-CG1 3.25Å; L114-I118 WeakPolarHBondContact O-CG1 3.28Å; L114-I118 PolarHBondContact O-N 3.35Å; I118-Q120 VanDerWaalsContact C-N 3.31Å; I118-Q120 PolarHBondContact O-N 3.29Å; I118-W121 HydrophobicContact CG1-CE3 4.49Å; I118-W121 PolarHBondContact O-N 2.94Å; I118-N122 WeakPolarHBondContact O-CB 3.48Å; I118-N122 PolarHBondContact O-N 3.27Å; I118-N122 PolarHBondContact O-OD1 3.01Å; I118-F128 HydrophobicContact CD1-CB 4.08Å; I118-F128 HydrophobicContact CD1-CD1 3.6Å; I118-F128 HydrophobicContact CD1-CE1 4.26Å; I118-F128 HydrophobicContact CD1-CG 3.94Å; I118-F128 HydrophobicContact CG1-CB 3.67Å; I118-F128 HydrophobicContact CG1-CD1 4.05Å; I118-F128 HydrophobicContact CG1-CG 3.83Å; I118-F128 HydrophobicContact CG2-CB 4.39Å; I118-L195 HydrophobicContact CD1-CD2 4.44Å; I118-L195 HydrophobicContact CD1-CG 4.02Å; I118-G196 WeakPolarHBondContact CG2-O 3.34Å
119	K	98.8	Very high	98.8	Very high	143 Å²	143	58.1 Å²	58.1	62%	0.622	30%	0.297	S	S	*	.	H	α-helix	trans	-63.1	-37.3	177.4	-64.8	-174.9	-178.2	176.1	0	112.7	S116 R117 Q123	S116-K119 PolarHBondContact O-N 3.13Å; R117-K119 VanDerWaalsContact C-N 3.26Å; R117-K119 PolarHBondContact O-N 3.13Å; K119-Q123 VanDerWaalsContact O-CG 3.28Å; K119-Q123 WeakPolarHBondContact O-CG 3.48Å; K119-Q123 PolarHBondContact O-N 2.91Å
120	Q	98.8	Very high	98.8	Very high	92 Å²	92	49.9 Å²	49.9	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-67	-47.5	175.6	-67.2	172.4	-26.7	0	0	111.2	S116 R117 I118 N122 Q123 E124	S116-Q120 PolarHBondContact O-N 2.92Å; R117-Q120 VanDerWaalsContact CD-OE1 3.31Å; R117-Q120 WeakPolarHBondContact O-CB 3.46Å; R117-Q120 PolarHBondContact O-N 3.42Å; R117-Q120 VanDerWaalsContact O-N 3.08Å; I118-Q120 VanDerWaalsContact C-N 3.31Å; I118-Q120 PolarHBondContact O-N 3.29Å; Q120-N122 PolarHBondContact O-N 3.48Å; Q120-Q123 WeakPolarHBondContact O-CB 3.46Å; Q120-Q123 PolarHBondContact O-N 3.41Å; Q120-E124 PolarHBondContact O-N 3.44Å
121	W	98.9	Very high	98.8	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-59.8	-43.7	175.7	-71.5	-28.6	0	0	0	112.1	T63 C66 I83 L114 R117 I118 Q123 E124 G125 V126 F128	T63-W121 HydrophobicContact CG2-CH2 4.34Å; C66-W121 HydrophobicContact CB-CH2 4Å; C66-W121 HydrophobicContact CB-CZ2 4.13Å; I83-W121 HydrophobicContact CD1-CD2 4.03Å; I83-W121 HydrophobicContact CD1-CE3 4.27Å; I83-W121 HydrophobicContact CD1-CH2 4.03Å; I83-W121 HydrophobicContact CD1-CZ2 3.75Å; I83-W121 HydrophobicContact CD1-CZ3 4.28Å; L114-W121 HydrophobicContact CD1-CH2 4.37Å; L114-W121 HydrophobicContact CD1-CZ3 3.84Å; R117-W121 HydrophobicContact CG-CD2 3.74Å; R117-W121 VanDerWaalsContact CG-CE2 3.44Å; R117-W121 HydrophobicContact CG-CE3 3.94Å; R117-W121 HydrophobicContact CG-CG 4.47Å; R117-W121 HydrophobicContact CG-CH2 3.62Å; R117-W121 HydrophobicContact CG-CZ2 3.4Å; R117-W121 HydrophobicContact CG-CZ3 3.88Å; R117-W121 PolarHBondContact O-N 2.9Å; I118-W121 HydrophobicContact CG1-CE3 4.49Å; I118-W121 PolarHBondContact O-N 2.94Å; W121-Q123 VanDerWaalsContact C-N 3.28Å; W121-Q123 PolarHBondContact O-N 3.26Å; W121-E124 CarbonylContact O-C 3.44Å; W121-E124 WeakPolarHBondContact O-CA 3.18Å; W121-E124 PolarHBondContact O-N 2.93Å; W121-G125 PolarHBondContact O-N 2.69Å; W121-V126 CarbonylContact C-O 3.58Å; W121-V126 HydrophobicContact CB-CB 4Å; W121-V126 HydrophobicContact CB-CG1 4.25Å; W121-V126 WeakPolarHBondContact CB-O 3.45Å; W121-V126 HydrophobicContact CG-CG1 4.47Å; W121-V126 PolarHBondContact O-N 2.93Å; W121-F128 HydrophobicContact CE3-CB 4.41Å; W121-F128 HydrophobicContact CE3-CD2 4.21Å; W121-F128 AromaticContact CZ3-CD2 3.67Å; W121-F128 HydrophobicContact CZ3-CD2 3.67Å; W121-F128 HydrophobicContact CZ3-CE2 4.24Å; W121-F128 HydrophobicContact CZ3-CG 4.46Å
122	N	98.8	Very high	98.8	Very high	59 Å²	59	48.6 Å²	48.6	32%	0.316	25%	0.251	S	S	.	.	H	α-helix	trans	-59.8	-37.3	177.7	-70.1	-2.5	0	0	0	112.1	I118 Q120 E124 G125 V126	I118-N122 WeakPolarHBondContact O-CB 3.48Å; I118-N122 PolarHBondContact O-N 3.27Å; I118-N122 PolarHBondContact O-OD1 3.01Å; Q120-N122 PolarHBondContact O-N 3.48Å; N122-E124 PolarHBondContact O-N 3.48Å; N122-G125 PolarHBondContact O-N 3.24Å; N122-V126 PolarHBondContact N-O 2.88Å; N122-V126 PolarHBondContact OD1-O 2.93Å
123	Q	98.8	Very high	98.8	Very high	164 Å²	164	45.6 Å²	45.6	77%	0.766	23%	0.232	S	C	*	.	H	α-helix	trans	-66.8	-25.6	176.1	-71.9	165	16.6	0	0	112.9	K119 Q120 W121	K119-Q123 VanDerWaalsContact O-CG 3.28Å; K119-Q123 WeakPolarHBondContact O-CG 3.48Å; K119-Q123 PolarHBondContact O-N 2.91Å; Q120-Q123 WeakPolarHBondContact O-CB 3.46Å; Q120-Q123 PolarHBondContact O-N 3.41Å; W121-Q123 VanDerWaalsContact C-N 3.28Å; W121-Q123 PolarHBondContact O-N 3.26Å
124	E	98.5	Very high	98.8	Very high	111 Å²	111	39.7 Å²	39.7	52%	0.519	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	10.7	178.2	-62.3	178	-162.4	0	0	112.8	R74 Q120 W121 N122	R74-E124 IonicContact CZ-OE2 3.03Å; R74-E124 IonicContact NH1-OE2 2.81Å; R74-E124 PolarHBondContact NH1-OE2 3.19Å; R74-E124 IonicContact NH2-OE2 3.36Å; R74-E124 PolarHBondContact NH2-OE2 2.85Å; Q120-E124 PolarHBondContact O-N 3.44Å; W121-E124 CarbonylContact O-C 3.44Å; W121-E124 WeakPolarHBondContact O-CA 3.18Å; W121-E124 PolarHBondContact O-N 2.93Å; N122-E124 PolarHBondContact O-N 3.48Å
125	G	98.7	Very high	98.8	Very high	49 Å²	49	39.7 Å²	39.7	51%	0.505	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	23.2	177.7	0	0	0	0	0	114.8	W121 N122	W121-G125 PolarHBondContact O-N 2.69Å; N122-G125 PolarHBondContact O-N 3.24Å
126	V	98.9	Very high	98.8	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	19%	0.185	C	C	.	.			trans	-117.5	115.5	-178.9	-179.4	0	0	0	0	109.7	L70 I83 W121 N122	L70-V126 HydrophobicContact CD1-CG1 4.22Å; L70-V126 HydrophobicContact CD1-CG2 4.09Å; L70-V126 HydrophobicContact CD2-CG1 4.26Å; L70-V126 HydrophobicContact CD2-CG2 4.35Å; I83-V126 HydrophobicContact CD1-CG1 4.25Å; I83-V126 HydrophobicContact CG1-CG1 4.25Å; W121-V126 CarbonylContact C-O 3.58Å; W121-V126 HydrophobicContact CB-CB 4Å; W121-V126 HydrophobicContact CB-CG1 4.25Å; W121-V126 WeakPolarHBondContact CB-O 3.45Å; W121-V126 HydrophobicContact CG-CG1 4.47Å; W121-V126 PolarHBondContact O-N 2.93Å; N122-V126 PolarHBondContact N-O 2.88Å; N122-V126 PolarHBondContact OD1-O 2.93Å
127	Q	98.9	Very high	98.8	Very high	40 Å²	40	33.8 Å²	33.8	19%	0.187	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	154.4	173.8	-63.7	-63.6	-37.7	0	0	111.6	W50 N81 G82 I83 L129	W50-Q127 HydrophobicContact CB-CG 4.49Å; W50-Q127 HydrophobicContact CD2-CB 4.5Å; W50-Q127 HydrophobicContact CD2-CG 3.53Å; W50-Q127 HydrophobicContact CE3-CB 4.29Å; W50-Q127 HydrophobicContact CE3-CG 3.73Å; W50-Q127 HydrophobicContact CG-CG 3.87Å; W50-Q127 HydrophobicContact CH2-CG 4.45Å; W50-Q127 HydrophobicContact CZ2-CG 4.29Å; W50-Q127 HydrophobicContact CZ3-CB 4.29Å; W50-Q127 HydrophobicContact CZ3-CG 4.17Å; N81-Q127 PolarHBondContact O-N 3.45Å; G82-Q127 CarbonylContact C-O 3.05Å; G82-Q127 WeakPolarHBondContact CA-O 3.35Å; I83-Q127 PolarHBondContact N-O 3.32Å; Q127-L129 HydrophobicContact CB-CD1 4.05Å
128	F	99	Very high	98.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.4	166.4	-177.9	-99.9	0	0	0	110.7	I83 A85 W88 L114 I118 W121 A130 C197 G198	I83-F128 CarbonylContact O-C 3.5Å; A85-F128 HydrophobicContact CB-CE2 3.72Å; A85-F128 HydrophobicContact CB-CZ 3.91Å; W88-F128 HydrophobicContact CB-CE1 4.43Å; W88-F128 HydrophobicContact CB-CZ 4.05Å; L114-F128 HydrophobicContact CD1-CD2 4.11Å; L114-F128 HydrophobicContact CD1-CE1 4.35Å; L114-F128 HydrophobicContact CD1-CE2 3.79Å; L114-F128 HydrophobicContact CD1-CG 4.5Å; L114-F128 HydrophobicContact CD1-CZ 3.93Å; L114-F128 HydrophobicContact CD2-CE1 3.89Å; L114-F128 HydrophobicContact CD2-CE2 4.47Å; L114-F128 HydrophobicContact CD2-CZ 3.76Å; L114-F128 HydrophobicContact CG-CZ 4.42Å; I118-F128 HydrophobicContact CD1-CB 4.08Å; I118-F128 HydrophobicContact CD1-CD1 3.6Å; I118-F128 HydrophobicContact CD1-CE1 4.26Å; I118-F128 HydrophobicContact CD1-CG 3.94Å; I118-F128 HydrophobicContact CG1-CB 3.67Å; I118-F128 HydrophobicContact CG1-CD1 4.05Å; I118-F128 HydrophobicContact CG1-CG 3.83Å; I118-F128 HydrophobicContact CG2-CB 4.39Å; W121-F128 HydrophobicContact CE3-CB 4.41Å; W121-F128 HydrophobicContact CE3-CD2 4.21Å; W121-F128 AromaticContact CZ3-CD2 3.67Å; W121-F128 HydrophobicContact CZ3-CD2 3.67Å; W121-F128 HydrophobicContact CZ3-CE2 4.24Å; W121-F128 HydrophobicContact CZ3-CG 4.46Å; F128-A130 HydrophobicContact CE1-CB 4.24Å; F128-C197 CarbonylContact O-C 3.49Å; F128-C197 WeakPolarHBondContact O-CA 3.17Å; F128-G198 PolarHBondContact O-N 3.05Å
129	L	98.9	Very high	98.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.1	177.8	-63.3	83.4	0	0	0	110.7	W50 T56 I83 W84 A85 Q127 G199 F251	W50-L129 HydrophobicContact CH2-CD1 4.27Å; W50-L129 HydrophobicContact CH2-CD2 4.16Å; W50-L129 HydrophobicContact CZ3-CD1 4.37Å; T56-L129 HydrophobicContact CG2-CD1 3.93Å; T56-L129 HydrophobicContact CG2-CD2 4.41Å; I83-L129 PolarHBondContact O-N 3.18Å; W84-L129 WeakPolarHBondContact CA-O 3.32Å; W84-L129 HydrophobicContact CB-CB 4.02Å; W84-L129 HydrophobicContact CG-CB 4.29Å; A85-L129 PolarHBondContact N-O 2.96Å; Q127-L129 HydrophobicContact CB-CD1 4.05Å; L129-G199 CarbonylContact C-O 3.48Å; L129-G199 WeakPolarHBondContact CA-O 3.23Å; L129-F251 HydrophobicContact CD2-CE1 4.03Å
130	A	98.9	Very high	98.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-159.8	-175.1	0	0	0	0	0	112.2	W84 W88 F128 M192 G199 W200 M201	W84-A130 PolarHBondContact NE1-O 3.48Å; W88-A130 HydrophobicContact CD2-CB 3.86Å; W88-A130 HydrophobicContact CE3-CB 4.47Å; W88-A130 HydrophobicContact CG-CB 3.92Å; W88-A130 HydrophobicContact CZ2-CB 4.42Å; F128-A130 HydrophobicContact CE1-CB 4.24Å; A130-M192 HydrophobicContact CB-CE 3.62Å; A130-G199 PolarHBondContact N-O 3.21Å; A130-W200 HydrophobicContact CB-CB 4.3Å; A130-W200 WeakPolarHBondContact O-CA 3.41Å; A130-W200 WeakPolarHBondContact O-CB 3.38Å; A130-M201 PolarHBondContact O-N 2.78Å; A130-M201 VanDerWaalsContact O-N 3.08Å
131	Y	98.9	Very high	98.8	Very high	9 Å²	9	34.9 Å²	34.9	4%	0.035	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	142.1	177.7	175.6	-76.8	0	0	0	110.7	W84 Q86 W88 V100 W104 N133 M201 D203 F204	W84-Y131 HydrophobicContact CZ2-CD2 4.37Å; Q86-Y131 HydrophobicContact CB-CD2 4.07Å; Q86-Y131 HydrophobicContact CB-CG 4.11Å; W88-Y131 PolarHBondContact NE1-O 2.9Å; V100-Y131 HydrophobicContact CG1-CD1 4.2Å; W104-Y131 HydrophobicContact CE3-CD1 4.45Å; W104-Y131 AromaticContact CH2-CD1 3.81Å; W104-Y131 HydrophobicContact CH2-CD1 3.81Å; W104-Y131 AromaticContact CH2-CE1 3.53Å; W104-Y131 HydrophobicContact CH2-CE1 3.53Å; W104-Y131 AromaticContact CZ3-CD1 3.5Å; W104-Y131 HydrophobicContact CZ3-CD1 3.5Å; W104-Y131 AromaticContact CZ3-CE1 3.75Å; W104-Y131 HydrophobicContact CZ3-CE1 3.75Å; Y131-N133 HydrophobicContact CE1-CB 4.22Å; Y131-N133 PolarHBondContact OH-ND2 3.37Å; Y131-M201 WeakPolarHBondContact CA-O 3.44Å; Y131-M201 HydrophobicContact CD2-CB 3.77Å; Y131-M201 HydrophobicContact CD2-CG 4.04Å; Y131-M201 HydrophobicContact CD2-SD 3.67Å; Y131-M201 HydrophobicContact CE2-CB 4.41Å; Y131-M201 HydrophobicContact CE2-CG 4.18Å; Y131-M201 HydrophobicContact CE2-SD 3.53Å; Y131-M201 VanDerWaalsContact CE2-SD 3.53Å; Y131-D203 HydrophobicContact CD2-CB 4.42Å; Y131-D203 HydrophobicContact CE2-CB 3.46Å; Y131-D203 VanDerWaalsContact CE2-CB 3.46Å; Y131-D203 WeakPolarHBondContact CE2-OD2 3.37Å; Y131-D203 VanDerWaalsContact OH-CB 3.29Å; Y131-D203 WeakPolarHBondContact OH-CB 3.44Å; Y131-D203 PolarHBondContact OH-OD2 2.79Å; Y131-F204 WeakPolarHBondContact OH-CE2 3.17Å
132	I	98.9	Very high	98.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151.5	170.7	-177.9	162.2	0	0	0	110.1	W104 F184 I188 M192 W200 M201 A202 D203 W231	W104-I132 HydrophobicContact CB-CD1 3.93Å; W104-I132 HydrophobicContact CB-CG1 4.28Å; W104-I132 HydrophobicContact CD2-CB 4.14Å; W104-I132 HydrophobicContact CD2-CD1 4.3Å; W104-I132 HydrophobicContact CD2-CG1 3.68Å; W104-I132 HydrophobicContact CE3-CB 4.31Å; W104-I132 HydrophobicContact CE3-CG1 4.35Å; W104-I132 HydrophobicContact CG-CB 4.36Å; W104-I132 HydrophobicContact CG-CD1 3.67Å; W104-I132 HydrophobicContact CG-CG1 3.6Å; I132-F184 HydrophobicContact CD1-CE1 4.16Å; I132-F184 HydrophobicContact CD1-CZ 4.12Å; I132-F184 HydrophobicContact CG1-CZ 4.44Å; I132-I188 HydrophobicContact CD1-CG1 3.79Å; I132-M192 HydrophobicContact CB-CE 4.21Å; I132-M192 HydrophobicContact CB-SD 4Å; I132-M192 HydrophobicContact CD1-SD 4.16Å; I132-M192 HydrophobicContact CG2-CE 3.98Å; I132-M192 HydrophobicContact CG2-SD 3.94Å; I132-W200 VanDerWaalsContact CG2-CD1 3.47Å; I132-W200 HydrophobicContact CG2-CG 4.21Å; I132-M201 PolarHBondContact N-O 3.27Å; I132-M201 VanDerWaalsContact O-O 3.1Å; I132-A202 CarbonylContact O-C 3.56Å; I132-A202 WeakPolarHBondContact O-CA 3.32Å; I132-D203 PolarHBondContact O-N 2.87Å; I132-W231 HydrophobicContact CD1-CH2 4.07Å; I132-W231 HydrophobicContact CG1-CH2 3.98Å; I132-W231 HydrophobicContact CG1-CZ2 4.17Å; I132-W231 HydrophobicContact CG2-CH2 4.2Å; I132-W231 HydrophobicContact CG2-CZ2 4.03Å
133	N	98.8	Very high	98.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.			trans	-138.3	169.4	168.4	76.3	44	0	0	0	110.1	W102 W104 Y131 Y135 F184 D203 F204	W102-N133 VanDerWaalsContact CE2-ND2 3.29Å; W104-N133 HydrophobicContact CH2-CB 4.46Å; W104-N133 HydrophobicContact CZ2-CB 4.16Å; W104-N133 VanDerWaalsContact CZ2-OD1 3.28Å; W104-N133 WeakPolarHBondContact CZ2-OD1 3.46Å; W104-N133 PolarHBondContact NE1-O 2.92Å; W104-N133 VanDerWaalsContact NE1-O 3.1Å; Y131-N133 HydrophobicContact CE1-CB 4.22Å; Y131-N133 PolarHBondContact OH-ND2 3.37Å; N133-Y135 PolarHBondContact O-N 3.42Å; N133-Y135 WeakPolarHBondContact OD1-CB 3.33Å; N133-Y135 WeakPolarHBondContact OD1-CD2 3.11Å; N133-Y135 PolarHBondContact OD1-N 2.89Å; N133-Y135 PolarHBondContact OD1-O 3.21Å; N133-F184 WeakPolarHBondContact O-CZ 3.47Å; N133-D203 HydrophobicContact CB-CB 4.2Å; N133-D203 WeakPolarHBondContact CB-O 3.19Å; N133-F204 HydrophobicContact CB-CB 4.22Å; N133-F204 HydrophobicContact CB-CD2 3.68Å; N133-F204 HydrophobicContact CB-CG 4.33Å
134	P	98.8	Very high	98.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-82.9	17.1	-172.7	35.5	-34.1	0	0	0	114.2	V173 D203 F204 W231	P134-V173 PolarHBondContact O-N 2.89Å; P134-D203 WeakPolarHBondContact CD-O 3.47Å; P134-F204 HydrophobicContact CG-CB 4.39Å; P134-W231 HydrophobicContact CB-CD2 4.03Å; P134-W231 HydrophobicContact CB-CE3 4.29Å; P134-W231 HydrophobicContact CB-CG 4.25Å; P134-W231 HydrophobicContact CG-CD2 4.43Å; P134-W231 HydrophobicContact CG-CG 4.28Å
135	Y	98.9	Very high	98.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	159.6	172	-51.1	-85.7	0	0	0	110.6	W102 W104 N133 F165 G171 V172 F204 Y207	W102-Y135 HydrophobicContact CZ3-CD2 4.34Å; W102-Y135 HydrophobicContact CZ3-CG 4.48Å; W104-Y135 WeakPolarHBondContact CZ2-O 3.26Å; W104-Y135 PolarHBondContact NE1-O 2.91Å; N133-Y135 PolarHBondContact O-N 3.42Å; N133-Y135 WeakPolarHBondContact OD1-CB 3.33Å; N133-Y135 WeakPolarHBondContact OD1-CD2 3.11Å; N133-Y135 PolarHBondContact OD1-N 2.89Å; N133-Y135 PolarHBondContact OD1-O 3.21Å; Y135-F165 HydrophobicContact CD1-CE2 4.12Å; Y135-F165 AromaticContact CD1-CZ 3.94Å; Y135-F165 HydrophobicContact CD1-CZ 3.94Å; Y135-F165 AromaticContact CD2-CZ 3.97Å; Y135-F165 HydrophobicContact CD2-CZ 3.97Å; Y135-F165 HydrophobicContact CE1-CE2 4.46Å; Y135-F165 AromaticContact CE1-CZ 3.9Å; Y135-F165 HydrophobicContact CE1-CZ 3.9Å; Y135-F165 AromaticContact CE2-CZ 3.95Å; Y135-F165 HydrophobicContact CE2-CZ 3.95Å; Y135-F165 HydrophobicContact CG-CE2 4.19Å; Y135-F165 AromaticContact CG-CZ 3.98Å; Y135-F165 HydrophobicContact CG-CZ 3.98Å; Y135-F165 AromaticContact CZ-CZ 3.93Å; Y135-G171 VanDerWaalsContact CA-O 3.31Å; Y135-G171 WeakPolarHBondContact CA-O 3.38Å; Y135-V172 HydrophobicContact CD1-CB 4.42Å; Y135-V172 HydrophobicContact CD1-CG2 4.02Å; Y135-V172 HydrophobicContact CE1-CB 4.48Å; Y135-V172 HydrophobicContact CE1-CG1 4.26Å; Y135-V172 HydrophobicContact CE1-CG2 3.91Å; Y135-F204 HydrophobicContact CD2-CB 4.47Å; Y135-F204 HydrophobicContact CD2-CD1 4.47Å; Y135-F204 HydrophobicContact CD2-CG 4.37Å; Y135-F204 HydrophobicContact CE2-CB 3.83Å; Y135-F204 AromaticContact CE2-CD1 3.73Å; Y135-F204 HydrophobicContact CE2-CD1 3.73Å; Y135-F204 HydrophobicContact CE2-CE1 4.47Å; Y135-F204 AromaticContact CE2-CG 3.86Å; Y135-F204 HydrophobicContact CE2-CG 3.86Å; Y135-Y207 PolarHBondContact OH-O 3.38Å
136	V	98.9	Very high	98.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.1	175.8	-72	0	0	0	0	110	S138 L142 C143 L152 G170 G171 V173 F184	V136-S138 PolarHBondContact O-N 2.99Å; V136-L142 HydrophobicContact CB-CB 4.29Å; V136-L142 HydrophobicContact CG1-CB 3.85Å; V136-L142 HydrophobicContact CG1-CD1 4.47Å; V136-C143 HydrophobicContact CB-CB 4.01Å; V136-C143 HydrophobicContact CG2-CB 3.69Å; V136-L152 HydrophobicContact CG2-CD2 3.92Å; V136-G170 CarbonylContact O-C 3.58Å; V136-G170 WeakPolarHBondContact O-CA 3.4Å; V136-G171 PolarHBondContact N-O 2.94Å; V136-G171 PolarHBondContact O-N 3.37Å; V136-V173 HydrophobicContact CG1-CG2 4.06Å; V136-V173 HydrophobicContact CG2-CG2 4.08Å; V136-F184 HydrophobicContact CG1-CE2 3.81Å; V136-F184 HydrophobicContact CG1-CZ 4.35Å
137	A	98.8	Very high	98.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	130	-175.8	0	0	0	0	0	111.3	W102 D139 K140 C143	W102-A137 HydrophobicContact CB-CB 4.18Å; W102-A137 WeakPolarHBondContact O-CB 3.25Å; W102-A137 PolarHBondContact O-N 3.31Å; A137-D139 WeakPolarHBondContact CB-OD1 3.34Å; A137-D139 PolarHBondContact O-N 2.91Å; A137-D139 VanDerWaalsContact O-N 3.08Å; A137-K140 HydrophobicContact CB-CB 4.32Å; A137-K140 HydrophobicContact CB-CG 4.06Å; A137-K140 PolarHBondContact O-N 3.47Å; A137-K140 VanDerWaalsContact O-N 3.14Å; A137-C143 WeakPolarHBondContact O-CB 3.39Å
138	S	98.6	Very high	98.8	Very high	51 Å²	51	32.1 Å²	32.1	36%	0.357	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.6	-172.4	70.1	0	0	0	0	114.7	V136 Y169	V136-S138 PolarHBondContact O-N 2.99Å; S138-Y169 PolarHBondContact N-O 3.04Å
139	D	98.6	Very high	98.8	Very high	90 Å²	90	37 Å²	37	48%	0.481	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	19.6	-179.9	62.8	-16.2	0	0	0	112.9	R92 A137	R92-D139 IonicContact CZ-OD1 3.47Å; R92-D139 IonicContact CZ-OD2 2.73Å; R92-D139 IonicContact NH1-OD1 3.29Å; R92-D139 IonicContact NH1-OD2 3.76Å; R92-D139 PolarHBondContact NH1-OD2 2.58Å; R92-D139 VanDerWaalsContact NH2-CG 3.26Å; R92-D139 IonicContact NH2-OD1 3.94Å; R92-D139 PolarHBondContact NH2-OD1 2.95Å; R92-D139 IonicContact NH2-OD2 2.86Å; R92-D139 PolarHBondContact NH2-OD2 2.93Å; A137-D139 WeakPolarHBondContact CB-OD1 3.34Å; A137-D139 PolarHBondContact O-N 2.91Å; A137-D139 VanDerWaalsContact O-N 3.08Å
140	K	98.8	Very high	98.8	Very high	73 Å²	73	38.6 Å²	38.6	32%	0.317	21%	0.206	S	C	.	.	S	Bend	trans	-139.6	160.6	-173	-67.1	-63.1	-168.9	-173.9	0	114.4	M101 N103 A137 L142 C143 E144	M101-K140 HydrophobicContact SD-CD 4.25Å; M101-K140 WeakPolarHBondContact SD-CE 3.22Å; M101-K140 HydrophobicContact SD-CG 4.01Å; N103-K140 HydrophobicContact CB-CB 3.69Å; N103-K140 HydrophobicContact CB-CD 4.42Å; N103-K140 HydrophobicContact CB-CG 3.84Å; N103-K140 WeakPolarHBondContact OD1-CB 3.5Å; A137-K140 HydrophobicContact CB-CB 4.32Å; A137-K140 HydrophobicContact CB-CG 4.06Å; A137-K140 PolarHBondContact O-N 3.47Å; A137-K140 VanDerWaalsContact O-N 3.14Å; K140-L142 PolarHBondContact O-N 3.47Å; K140-C143 PolarHBondContact O-N 2.8Å; K140-C143 VanDerWaalsContact O-N 3.12Å; K140-E144 PolarHBondContact O-N 2.88Å
141	D	98.5	Very high	98.8	Very high	84 Å²	84	39.9 Å²	39.9	45%	0.449	21%	0.212	S	C	.	.	H	α-helix	trans	-45.7	-51.5	-173.6	-53.6	0.9	0	0	0	114.7	K105 C143 E144 E145	K105-D141 IonicContact NZ-OD2 3.59Å; D141-C143 VanDerWaalsContact C-N 3.28Å; D141-C143 PolarHBondContact O-N 2.68Å; D141-E144 PolarHBondContact O-N 3.09Å; D141-E145 WeakPolarHBondContact O-CB 3.44Å; D141-E145 PolarHBondContact O-N 3.02Å
142	L	98.8	Very high	98.8	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-67.9	-30.5	-172.6	-67.6	179.9	0	0	0	112.2	N103 W104 V136 K140 A146 W183 V187	N103-L142 WeakPolarHBondContact OD1-CB 3.5Å; N103-L142 WeakPolarHBondContact OD1-CG 3.41Å; N103-L142 PolarHBondContact OD1-N 2.9Å; W104-L142 HydrophobicContact CB-CD1 3.94Å; W104-L142 HydrophobicContact CG-CD1 4.27Å; V136-L142 HydrophobicContact CB-CB 4.29Å; V136-L142 HydrophobicContact CG1-CB 3.85Å; V136-L142 HydrophobicContact CG1-CD1 4.47Å; K140-L142 PolarHBondContact O-N 3.47Å; L142-A146 WeakPolarHBondContact O-CB 3.43Å; L142-A146 PolarHBondContact O-N 2.8Å; L142-W183 HydrophobicContact CB-CH2 4.28Å; L142-W183 HydrophobicContact CB-CZ2 4.27Å; L142-W183 HydrophobicContact CD2-CZ2 3.95Å; L142-W183 WeakPolarHBondContact O-CH2 3.27Å; L142-V187 HydrophobicContact CD1-CG1 4.03Å; L142-V187 HydrophobicContact CD2-CG2 4.02Å
143	C	98.8	Very high	98.8	Very high	7 Å²	7	39.6 Å²	39.6	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-75.4	-36.9	174.9	-166.2	0	0	0	0	111.4	V136 A137 K140 D141 A146 A147	V136-C143 HydrophobicContact CB-CB 4.01Å; V136-C143 HydrophobicContact CG2-CB 3.69Å; A137-C143 WeakPolarHBondContact O-CB 3.39Å; K140-C143 PolarHBondContact O-N 2.8Å; K140-C143 VanDerWaalsContact O-N 3.12Å; D141-C143 VanDerWaalsContact C-N 3.28Å; D141-C143 PolarHBondContact O-N 2.68Å; C143-A146 PolarHBondContact O-N 2.9Å; C143-A147 WeakPolarHBondContact O-CB 3.28Å; C143-A147 PolarHBondContact O-N 2.81Å
144	E	98.8	Very high	98.8	Very high	118 Å²	118	42.2 Å²	42.2	55%	0.551	22%	0.222	S	C	*	.	H	α-helix	trans	-61.7	-48	173.6	-175	-176.7	175.8	0	0	111	K140 D141 A146 A147 Q148	K140-E144 PolarHBondContact O-N 2.88Å; D141-E144 PolarHBondContact O-N 3.09Å; E144-A146 VanDerWaalsContact C-N 3.34Å; E144-A146 PolarHBondContact O-N 3.42Å; E144-A147 PolarHBondContact O-N 3.46Å; E144-Q148 WeakPolarHBondContact O-CG 3.25Å; E144-Q148 PolarHBondContact O-N 2.64Å; E144-Q148 VanDerWaalsContact O-N 3.08Å; E144-Q148 PolarHBondContact OE1-NE2 3.47Å
145	E	98.8	Very high	98.8	Very high	67 Å²	67	44.6 Å²	44.6	31%	0.313	24%	0.235	S	C	.	.	H	α-helix	trans	-60.1	-44	176.1	-175.2	-179.3	169	0	0	111.6	D141 Q148 H149 W183	D141-E145 WeakPolarHBondContact O-CB 3.44Å; D141-E145 PolarHBondContact O-N 3.02Å; E145-Q148 PolarHBondContact O-N 3.47Å; E145-H149 PolarHBondContact O-N 2.96Å; E145-H149 PolarHBondContact O-ND1 3.43Å; E145-W183 VanDerWaalsContact CD-NE1 3.31Å; E145-W183 PolarHBondContact OE1-NE1 3.39Å
146	A	98.9	Very high	98.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-41.2	178.2	0	0	0	0	0	112.4	L142 C143 E144 H149 G150 Y151 L152 W183	L142-A146 WeakPolarHBondContact O-CB 3.43Å; L142-A146 PolarHBondContact O-N 2.8Å; C143-A146 PolarHBondContact O-N 2.9Å; E144-A146 VanDerWaalsContact C-N 3.34Å; E144-A146 PolarHBondContact O-N 3.42Å; A146-H149 PolarHBondContact O-N 2.79Å; A146-G150 PolarHBondContact O-N 3.47Å; A146-Y151 PolarHBondContact O-N 2.92Å; A146-L152 HydrophobicContact CB-CD1 4.47Å; A146-L152 HydrophobicContact CB-CD2 3.67Å; A146-L152 HydrophobicContact CB-CG 3.85Å; A146-W183 HydrophobicContact CB-CH2 3.9Å; A146-W183 HydrophobicContact CB-CZ2 4.49Å; A146-W183 HydrophobicContact CB-CZ3 4.21Å
147	A	98.8	Very high	98.7	Very high	41 Å²	41	53.4 Å²	53.4	34%	0.339	30%	0.301	S	S	.	.	H	α-helix	trans	-62.7	-42.7	176.2	0	0	0	0	0	111.6	C143 E144 H149 G150 L152 D160	C143-A147 WeakPolarHBondContact O-CB 3.28Å; C143-A147 PolarHBondContact O-N 2.81Å; E144-A147 PolarHBondContact O-N 3.46Å; A147-H149 VanDerWaalsContact C-N 3.26Å; A147-H149 PolarHBondContact O-N 3.18Å; A147-G150 PolarHBondContact O-N 2.79Å; A147-L152 HydrophobicContact CB-CD1 4.38Å; A147-D160 VanDerWaalsContact CB-OD2 3.31Å; A147-D160 WeakPolarHBondContact CB-OD2 3.44Å
148	Q	98.7	Very high	98.7	Very high	132 Å²	132	56 Å²	56	62%	0.617	33%	0.328	S	S	*	.	H	α-helix	trans	-62.1	-30.4	179.3	-71.7	173.1	12.1	0	0	113.6	E144 E145	E144-Q148 WeakPolarHBondContact O-CG 3.25Å; E144-Q148 PolarHBondContact O-N 2.64Å; E144-Q148 VanDerWaalsContact O-N 3.08Å; E144-Q148 PolarHBondContact OE1-NE2 3.47Å; E145-Q148 PolarHBondContact O-N 3.47Å
149	H	98.8	Very high	98.7	Very high	103 Å²	103	54.9 Å²	54.9	48%	0.477	32%	0.324	S	S	.	.	H	α-helix	trans	-104.1	2.9	-178.2	-61.6	84.8	0	0	0	113.6	E145 A146 A147 Y151	E145-H149 PolarHBondContact O-N 2.96Å; E145-H149 PolarHBondContact O-ND1 3.43Å; A146-H149 PolarHBondContact O-N 2.79Å; A147-H149 VanDerWaalsContact C-N 3.26Å; A147-H149 PolarHBondContact O-N 3.18Å; H149-Y151 VanDerWaalsContact C-N 3.34Å; H149-Y151 HydrophobicContact CB-CD1 3.85Å; H149-Y151 HydrophobicContact CB-CD2 3.91Å; H149-Y151 HydrophobicContact CB-CE1 3.62Å; H149-Y151 HydrophobicContact CB-CE2 3.68Å; H149-Y151 HydrophobicContact CB-CG 4Å; H149-Y151 WeakPolarHBondContact O-CD1 3.29Å
150	G	98.7	Very high	98.7	Very high	33 Å²	33	53.1 Å²	53.1	34%	0.34	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	32.6	-178.7	0	0	0	0	0	113.7	A146 A147	A146-G150 PolarHBondContact O-N 3.47Å; A147-G150 PolarHBondContact O-N 2.79Å
151	Y	98.9	Very high	98.7	Very high	28 Å²	28	51.4 Å²	51.4	11%	0.11	31%	0.307	C	S	.	.			trans	-86.1	-5.8	-178.2	-66.7	-13	0	0	0	114.3	A146 H149 D174 E179 A180 W183	A146-Y151 PolarHBondContact O-N 2.92Å; H149-Y151 VanDerWaalsContact C-N 3.34Å; H149-Y151 HydrophobicContact CB-CD1 3.85Å; H149-Y151 HydrophobicContact CB-CD2 3.91Å; H149-Y151 HydrophobicContact CB-CE1 3.62Å; H149-Y151 HydrophobicContact CB-CE2 3.68Å; H149-Y151 HydrophobicContact CB-CG 4Å; H149-Y151 WeakPolarHBondContact O-CD1 3.29Å; Y151-D174 PolarHBondContact O-N 2.79Å; Y151-E179 HydrophobicContact CE1-CB 3.74Å; Y151-A180 HydrophobicContact CD1-CB 3.73Å; Y151-A180 HydrophobicContact CD2-CB 4.44Å; Y151-A180 HydrophobicContact CG-CB 3.66Å; Y151-W183 HydrophobicContact CD2-CB 4Å; Y151-W183 AromaticContact CD2-CD2 3.66Å; Y151-W183 HydrophobicContact CD2-CD2 3.66Å; Y151-W183 AromaticContact CD2-CE3 3.78Å; Y151-W183 HydrophobicContact CD2-CE3 3.78Å; Y151-W183 AromaticContact CD2-CG 3.75Å; Y151-W183 HydrophobicContact CD2-CG 3.75Å; Y151-W183 HydrophobicContact CD2-CZ3 4.47Å; Y151-W183 HydrophobicContact CE2-CB 3.54Å; Y151-W183 AromaticContact CE2-CD1 3.86Å; Y151-W183 AromaticContact CE2-CD2 3.93Å; Y151-W183 HydrophobicContact CE2-CD2 3.93Å; Y151-W183 HydrophobicContact CE2-CE3 4.45Å; Y151-W183 AromaticContact CE2-CG 3.49Å; Y151-W183 HydrophobicContact CE2-CG 3.49Å; Y151-W183 VanDerWaalsContact CE2-CG 3.49Å
152	L	98.9	Very high	98.7	Very high	3 Å²	3	51 Å²	51	2%	0.016	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-91.4	146.8	177.1	-57.4	178.8	0	0	0	111.6	V136 A146 A147 K154 D160 V172	V136-L152 HydrophobicContact CG2-CD2 3.92Å; A146-L152 HydrophobicContact CB-CD1 4.47Å; A146-L152 HydrophobicContact CB-CD2 3.67Å; A146-L152 HydrophobicContact CB-CG 3.85Å; A147-L152 HydrophobicContact CB-CD1 4.38Å; L152-K154 PolarHBondContact O-NZ 2.89Å; L152-D160 HydrophobicContact CB-CB 4.26Å; L152-D160 HydrophobicContact CD1-CB 3.89Å; L152-V172 CarbonylContact C-O 3.58Å; L152-V172 VanDerWaalsContact CA-O 3.29Å; L152-V172 WeakPolarHBondContact CA-O 3.41Å
153	A	98.9	Very high	98.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	31%	0.306	C	S	.	.			trans	-59.4	155.5	167	0	0	0	0	0	110.1	Y161 V172 D174 T212 L214	A153-Y161 WeakPolarHBondContact O-CB 3.37Å; A153-Y161 PolarHBondContact O-N 3.32Å; A153-V172 HydrophobicContact CB-CB 4.12Å; A153-V172 HydrophobicContact CB-CG1 4.35Å; A153-V172 PolarHBondContact N-O 3.11Å; A153-D174 HydrophobicContact CB-CB 4.44Å; A153-T212 HydrophobicContact CB-CG2 4.15Å; A153-L214 HydrophobicContact CB-CD2 4.04Å
154	K	98.9	Very high	98.6	Very high	55 Å²	55	54.9 Å²	54.9	24%	0.239	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-109.1	157.2	-174.2	-60.2	-66.9	-179.7	-95.2	0	112.5	L152 G159 D160 T212 Y213	L152-K154 PolarHBondContact O-NZ 2.89Å; K154-G159 CarbonylContact C-O 3.55Å; K154-G159 WeakPolarHBondContact CA-O 3.38Å; K154-G159 VanDerWaalsContact CD-O 3.29Å; K154-G159 WeakPolarHBondContact CD-O 3.48Å; K154-D160 WeakPolarHBondContact CE-OD1 3.38Å; K154-D160 IonicContact NZ-OD1 4Å; K154-D160 PolarHBondContact NZ-OD1 3.1Å; K154-T212 CarbonylContact O-C 3.59Å; K154-T212 WeakPolarHBondContact O-CA 3.46Å; K154-Y213 PolarHBondContact N-O 3.09Å; K154-Y213 PolarHBondContact O-N 3.02Å
155	D	98.6	Very high	98.5	Very high	50 Å²	50	50.7 Å²	50.7	27%	0.267	30%	0.302	S	S	.	.			trans	-89.9	177.2	165.8	71.4	28	0	0	0	111.6	S157 G158 G159 Y161	D155-S157 PolarHBondContact O-N 2.99Å; D155-S157 VanDerWaalsContact OD1-CA 3.26Å; D155-S157 WeakPolarHBondContact OD1-CA 3.5Å; D155-S157 WeakPolarHBondContact OD1-CB 3.49Å; D155-S157 PolarHBondContact OD1-N 3.36Å; D155-S157 PolarHBondContact OD1-OG 3.38Å; D155-S157 PolarHBondContact OD2-OG 3.3Å; D155-G158 PolarHBondContact O-N 3.4Å; D155-G158 VanDerWaalsContact O-N 3.1Å; D155-G158 PolarHBondContact OD1-N 3.41Å; D155-G159 PolarHBondContact N-O 2.99Å; D155-G159 PolarHBondContact OD1-N 3.03Å; D155-Y161 HydrophobicContact CB-CD2 4.02Å
156	A	97.9	Very high	98.1	Very high	80 Å²	80	49.5 Å²	49.5	66%	0.661	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.8	-179.4	0	0	0	0	0	114.1	G158 Y213	A156-G158 VanDerWaalsContact C-N 3.33Å; A156-Y213 VanDerWaalsContact CA-CE2 3.44Å; A156-Y213 HydrophobicContact CB-CE2 3.62Å
157	S	98.2	Very high	97.9	Very high	105 Å²	105	55 Å²	55	73%	0.734	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-9.3	176.3	79.9	0	0	0	0	113	D155	D155-S157 PolarHBondContact O-N 2.99Å; D155-S157 VanDerWaalsContact OD1-CA 3.26Å; D155-S157 WeakPolarHBondContact OD1-CA 3.5Å; D155-S157 WeakPolarHBondContact OD1-CB 3.49Å; D155-S157 PolarHBondContact OD1-N 3.36Å; D155-S157 PolarHBondContact OD1-OG 3.38Å; D155-S157 PolarHBondContact OD2-OG 3.3Å
158	G	97.9	Very high	97.9	Very high	54 Å²	54	53.4 Å²	53.4	56%	0.557	32%	0.319	S	S	*	.	S	Bend	trans	89.6	6.2	-175.6	0	0	0	0	0	114.1	D155 A156	D155-G158 PolarHBondContact O-N 3.4Å; D155-G158 VanDerWaalsContact O-N 3.1Å; D155-G158 PolarHBondContact OD1-N 3.41Å; A156-G158 VanDerWaalsContact C-N 3.33Å
159	G	98.5	Very high	97.9	Very high	27 Å²	27	52.6 Å²	52.6	28%	0.278	31%	0.311	S	S	.	.	S	Bend	trans	-78.7	163.8	173.5	0	0	0	0	0	112.5	K154 D155 Y161	K154-G159 CarbonylContact C-O 3.55Å; K154-G159 WeakPolarHBondContact CA-O 3.38Å; K154-G159 VanDerWaalsContact CD-O 3.29Å; K154-G159 WeakPolarHBondContact CD-O 3.48Å; D155-G159 PolarHBondContact N-O 2.99Å; D155-G159 PolarHBondContact OD1-N 3.03Å; G159-Y161 PolarHBondContact O-N 3.3Å
160	D	98.9	Very high	97.9	Very high	54 Å²	54	47.7 Å²	47.7	29%	0.289	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-65.5	129.4	171.6	-71.2	-31.5	0	0	0	110.5	A147 L152 K154 L162	A147-D160 VanDerWaalsContact CB-OD2 3.31Å; A147-D160 WeakPolarHBondContact CB-OD2 3.44Å; L152-D160 HydrophobicContact CB-CB 4.26Å; L152-D160 HydrophobicContact CD1-CB 3.89Å; K154-D160 WeakPolarHBondContact CE-OD1 3.38Å; K154-D160 IonicContact NZ-OD1 4Å; K154-D160 PolarHBondContact NZ-OD1 3.1Å; D160-L162 PolarHBondContact O-N 2.73Å
161	Y	98.9	Very high	97.9	Very high	37 Å²	37	46.1 Å²	46.1	15%	0.145	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-75.7	118.6	-179.3	-160.5	-65.9	0	0	0	110.4	A153 D155 G159 V163 V172 P209 D211 T212	A153-Y161 WeakPolarHBondContact O-CB 3.37Å; A153-Y161 PolarHBondContact O-N 3.32Å; D155-Y161 HydrophobicContact CB-CD2 4.02Å; G159-Y161 PolarHBondContact O-N 3.3Å; Y161-V163 HydrophobicContact CD1-CG2 3.87Å; Y161-V163 HydrophobicContact CE1-CG2 3.71Å; Y161-V172 HydrophobicContact CD1-CG2 4.29Å; Y161-P209 HydrophobicContact CD1-CG 4.35Å; Y161-P209 HydrophobicContact CE1-CB 3.97Å; Y161-P209 HydrophobicContact CE1-CG 3.66Å; Y161-P209 HydrophobicContact CE2-CB 4.35Å; Y161-P209 VanDerWaalsContact OH-CB 3.3Å; Y161-P209 WeakPolarHBondContact OH-CB 3.33Å; Y161-D211 VanDerWaalsContact CE2-OD1 3.29Å; Y161-D211 WeakPolarHBondContact CE2-OD1 2.9Å; Y161-D211 VanDerWaalsContact CZ-OD1 3.29Å; Y161-D211 VanDerWaalsContact OH-CG 3.28Å; Y161-D211 PolarHBondContact OH-OD1 2.87Å; Y161-D211 PolarHBondContact OH-OD2 3.22Å; Y161-T212 HydrophobicContact CD1-CG2 4.11Å; Y161-T212 HydrophobicContact CD2-CG2 3.55Å; Y161-T212 HydrophobicContact CE1-CG2 4.43Å; Y161-T212 HydrophobicContact CE2-CG2 3.86Å; Y161-T212 HydrophobicContact CG-CG2 3.68Å
162	L	98.8	Very high	97.9	Very high	75 Å²	75	44.8 Å²	44.8	39%	0.393	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.3	178.2	-66.5	-175	0	0	0	110.6	D160 Y169	D160-L162 PolarHBondContact O-N 2.73Å; L162-Y169 HydrophobicContact CB-CD1 4.28Å; L162-Y169 HydrophobicContact CB-CG 4.46Å
163	V	98.7	Very high	97.9	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	133.9	177.6	179.1	0	0	0	0	109.8	Y161 F165 Y169 G170 V172 Y207 P209	Y161-V163 HydrophobicContact CD1-CG2 3.87Å; Y161-V163 HydrophobicContact CE1-CG2 3.71Å; V163-F165 HydrophobicContact CB-CD2 4.2Å; V163-F165 HydrophobicContact CB-CE2 3.54Å; V163-F165 HydrophobicContact CB-CZ 4.02Å; V163-F165 HydrophobicContact CG1-CD2 4Å; V163-F165 HydrophobicContact CG1-CE1 4.15Å; V163-F165 HydrophobicContact CG1-CE2 3.48Å; V163-F165 VanDerWaalsContact CG1-CE2 3.48Å; V163-F165 HydrophobicContact CG1-CZ 3.57Å; V163-F165 WeakPolarHBondContact O-CD2 3.29Å; V163-Y169 CarbonylContact O-C 3.44Å; V163-Y169 VanDerWaalsContact O-CA 3.24Å; V163-Y169 WeakPolarHBondContact O-CA 3.35Å; V163-G170 PolarHBondContact N-O 3.45Å; V163-G170 PolarHBondContact O-N 2.78Å; V163-V172 HydrophobicContact CG2-CG2 3.58Å; V163-Y207 HydrophobicContact CG1-CD1 4.19Å; V163-Y207 HydrophobicContact CG1-CE1 3.67Å; V163-P209 HydrophobicContact CG2-CG 3.57Å
164	E	98	Very high	97.9	Very high	84 Å²	84	45 Å²	45	39%	0.393	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.5	172.2	175.3	61.8	-111.1	0	0	110.8	G166 E167 F168 Y169	E164-G166 VanDerWaalsContact OE1-CA 3.25Å; E164-G166 WeakPolarHBondContact OE1-CA 3.3Å; E164-G166 PolarHBondContact OE1-N 3.21Å; E164-E167 PolarHBondContact OE1-N 3.4Å; E164-F168 PolarHBondContact OE1-N 3.09Å; E164-Y169 HydrophobicContact CB-CD1 4.18Å; E164-Y169 HydrophobicContact CB-CE1 3.88Å; E164-Y169 HydrophobicContact CG-CE1 4.45Å; E164-Y169 WeakPolarHBondContact OE2-CE1 3.3Å; E164-Y169 PolarHBondContact OE2-OH 3.48Å; E164-Y169 VanDerWaalsContact OE2-OH 3.08Å
165	F	96.3	Very high	97.9	Very high	30 Å²	30	42.6 Å²	42.6	13%	0.132	26%	0.257	C	S	.	.			trans	-117.4	16.6	-179.8	-74.1	-79.5	0	0	0	113.8	R99 W102 Y135 V163 F168 F204 Y207	R99-F165 PolarHBondContact NH1-O 3.39Å; W102-F165 HydrophobicContact CE3-CD2 4.4Å; W102-F165 HydrophobicContact CE3-CE2 4.49Å; W102-F165 HydrophobicContact CH2-CB 4.29Å; W102-F165 AromaticContact CH2-CD1 3.54Å; W102-F165 HydrophobicContact CH2-CD1 3.54Å; W102-F165 HydrophobicContact CH2-CD2 4.08Å; W102-F165 AromaticContact CH2-CE1 3.73Å; W102-F165 HydrophobicContact CH2-CE1 3.73Å; W102-F165 HydrophobicContact CH2-CE2 4.24Å; W102-F165 AromaticContact CH2-CG 3.71Å; W102-F165 HydrophobicContact CH2-CG 3.71Å; W102-F165 HydrophobicContact CH2-CZ 4.07Å; W102-F165 HydrophobicContact CZ3-CB 4.34Å; W102-F165 AromaticContact CZ3-CD1 3.8Å; W102-F165 HydrophobicContact CZ3-CD1 3.8Å; W102-F165 AromaticContact CZ3-CD2 3.47Å; W102-F165 HydrophobicContact CZ3-CD2 3.47Å; W102-F165 VanDerWaalsContact CZ3-CD2 3.47Å; W102-F165 AromaticContact CZ3-CE1 3.84Å; W102-F165 HydrophobicContact CZ3-CE1 3.84Å; W102-F165 AromaticContact CZ3-CE2 3.51Å; W102-F165 HydrophobicContact CZ3-CE2 3.51Å; W102-F165 AromaticContact CZ3-CG 3.6Å; W102-F165 HydrophobicContact CZ3-CG 3.6Å; W102-F165 AromaticContact CZ3-CZ 3.7Å; W102-F165 HydrophobicContact CZ3-CZ 3.7Å; Y135-F165 HydrophobicContact CD1-CE2 4.12Å; Y135-F165 AromaticContact CD1-CZ 3.94Å; Y135-F165 HydrophobicContact CD1-CZ 3.94Å; Y135-F165 AromaticContact CD2-CZ 3.97Å; Y135-F165 HydrophobicContact CD2-CZ 3.97Å; Y135-F165 HydrophobicContact CE1-CE2 4.46Å; Y135-F165 AromaticContact CE1-CZ 3.9Å; Y135-F165 HydrophobicContact CE1-CZ 3.9Å; Y135-F165 AromaticContact CE2-CZ 3.95Å; Y135-F165 HydrophobicContact CE2-CZ 3.95Å; Y135-F165 HydrophobicContact CG-CE2 4.19Å; Y135-F165 AromaticContact CG-CZ 3.98Å; Y135-F165 HydrophobicContact CG-CZ 3.98Å; Y135-F165 AromaticContact CZ-CZ 3.93Å; V163-F165 HydrophobicContact CB-CD2 4.2Å; V163-F165 HydrophobicContact CB-CE2 3.54Å; V163-F165 HydrophobicContact CB-CZ 4.02Å; V163-F165 HydrophobicContact CG1-CD2 4Å; V163-F165 HydrophobicContact CG1-CE1 4.15Å; V163-F165 HydrophobicContact CG1-CE2 3.48Å; V163-F165 VanDerWaalsContact CG1-CE2 3.48Å; V163-F165 HydrophobicContact CG1-CZ 3.57Å; V163-F165 WeakPolarHBondContact O-CD2 3.29Å; F165-F168 HydrophobicContact CB-CD1 4.31Å; F165-F168 HydrophobicContact CB-CD2 4.35Å; F165-F168 HydrophobicContact CB-CE1 3.69Å; F165-F168 HydrophobicContact CB-CE2 3.74Å; F165-F168 HydrophobicContact CB-CZ 3.38Å; F165-F168 HydrophobicContact CD2-CE2 4.33Å; F165-F168 HydrophobicContact CG-CE2 4.31Å; F165-F168 HydrophobicContact CG-CZ 4.23Å; F165-F168 PolarHBondContact N-O 2.8Å; F165-F204 AromaticContact CE1-CE1 3.93Å; F165-F204 HydrophobicContact CE1-CE1 3.93Å; F165-F204 HydrophobicContact CE1-CZ 4.43Å; F165-Y207 HydrophobicContact CE1-CD1 4.33Å
166	G	90.6	Very high	97.9	Very high	41 Å²	41	41 Å²	41	42%	0.423	25%	0.25	S	C	.	.	S	Bend	trans	89	88.3	-177.2	0	0	0	0	0	111.1	E164 F168	E164-G166 VanDerWaalsContact OE1-CA 3.25Å; E164-G166 WeakPolarHBondContact OE1-CA 3.3Å; E164-G166 PolarHBondContact OE1-N 3.21Å; G166-F168 VanDerWaalsContact C-N 3.35Å
167	E	94.4	Very high	97.9	Very high	115 Å²	115	37.8 Å²	37.8	54%	0.537	22%	0.221	S	C	.	.	S	Bend	trans	76.8	12.8	178.6	-52	173.7	169.1	0	0	114.9	T94 S95 E164	T94-E167 WeakPolarHBondContact CA-OE2 3.36Å; T94-E167 WeakPolarHBondContact CB-OE2 3.49Å; S95-E167 WeakPolarHBondContact CB-OE1 3.14Å; S95-E167 PolarHBondContact N-OE2 3.24Å; S95-E167 VanDerWaalsContact OG-CD 3.27Å; S95-E167 PolarHBondContact OG-OE1 3.3Å; E164-E167 PolarHBondContact OE1-N 3.4Å
168	F	98	Very high	98	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.039	22%	0.215	C	C	.	.	S	Bend	trans	-159.9	155.9	170.3	70	-78.5	0	0	0	111.3	T94 W102 E164 F165 G166	T94-F168 HydrophobicContact CG2-CD1 4.35Å; W102-F168 AromaticContact CD2-CE2 3.89Å; W102-F168 HydrophobicContact CD2-CE2 3.89Å; W102-F168 HydrophobicContact CD2-CZ 4.25Å; W102-F168 AromaticContact CE3-CE2 3.62Å; W102-F168 HydrophobicContact CE3-CE2 3.62Å; W102-F168 HydrophobicContact CE3-CZ 4.2Å; W102-F168 HydrophobicContact CH2-CE2 4.27Å; W102-F168 HydrophobicContact CH2-CZ 4.08Å; W102-F168 HydrophobicContact CZ2-CZ 4.15Å; W102-F168 AromaticContact CZ3-CE2 3.82Å; W102-F168 HydrophobicContact CZ3-CE2 3.82Å; W102-F168 HydrophobicContact CZ3-CZ 4.11Å; E164-F168 PolarHBondContact OE1-N 3.09Å; F165-F168 HydrophobicContact CB-CD1 4.31Å; F165-F168 HydrophobicContact CB-CD2 4.35Å; F165-F168 HydrophobicContact CB-CE1 3.69Å; F165-F168 HydrophobicContact CB-CE2 3.74Å; F165-F168 HydrophobicContact CB-CZ 3.38Å; F165-F168 HydrophobicContact CD2-CE2 4.33Å; F165-F168 HydrophobicContact CG-CE2 4.31Å; F165-F168 HydrophobicContact CG-CZ 4.23Å; F165-F168 PolarHBondContact N-O 2.8Å; G166-F168 VanDerWaalsContact C-N 3.35Å
169	Y	98.6	Very high	98	Very high	115 Å²	115	40.7 Å²	40.7	45%	0.451	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	144.6	178.6	-60.7	-81.4	0	0	0	112.3	S138 L162 V163 E164	S138-Y169 PolarHBondContact N-O 3.04Å; L162-Y169 HydrophobicContact CB-CD1 4.28Å; L162-Y169 HydrophobicContact CB-CG 4.46Å; V163-Y169 CarbonylContact O-C 3.44Å; V163-Y169 VanDerWaalsContact O-CA 3.24Å; V163-Y169 WeakPolarHBondContact O-CA 3.35Å; E164-Y169 HydrophobicContact CB-CD1 4.18Å; E164-Y169 HydrophobicContact CB-CE1 3.88Å; E164-Y169 HydrophobicContact CG-CE1 4.45Å; E164-Y169 WeakPolarHBondContact OE2-CE1 3.3Å; E164-Y169 PolarHBondContact OE2-OH 3.48Å; E164-Y169 VanDerWaalsContact OE2-OH 3.08Å
170	G	98.8	Very high	98	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.1	171	0	0	0	0	0	111.3	V136 V163	V136-G170 CarbonylContact O-C 3.58Å; V136-G170 WeakPolarHBondContact O-CA 3.4Å; V163-G170 PolarHBondContact N-O 3.45Å; V163-G170 PolarHBondContact O-N 2.78Å
171	G	98.8	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	137.1	166.8	0	0	0	0	0	110.6	Y135 V136	Y135-G171 VanDerWaalsContact CA-O 3.31Å; Y135-G171 WeakPolarHBondContact CA-O 3.38Å; V136-G171 PolarHBondContact N-O 2.94Å; V136-G171 PolarHBondContact O-N 3.37Å
172	V	98.9	Very high	98	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	111.5	177.3	-171.3	0	0	0	0	108.9	Y135 L152 A153 Y161 V163 D174 L208 W227	Y135-V172 HydrophobicContact CD1-CB 4.42Å; Y135-V172 HydrophobicContact CD1-CG2 4.02Å; Y135-V172 HydrophobicContact CE1-CB 4.48Å; Y135-V172 HydrophobicContact CE1-CG1 4.26Å; Y135-V172 HydrophobicContact CE1-CG2 3.91Å; L152-V172 CarbonylContact C-O 3.58Å; L152-V172 VanDerWaalsContact CA-O 3.29Å; L152-V172 WeakPolarHBondContact CA-O 3.41Å; A153-V172 HydrophobicContact CB-CB 4.12Å; A153-V172 HydrophobicContact CB-CG1 4.35Å; A153-V172 PolarHBondContact N-O 3.11Å; Y161-V172 HydrophobicContact CD1-CG2 4.29Å; V163-V172 HydrophobicContact CG2-CG2 3.58Å; V172-D174 PolarHBondContact O-N 3.35Å; V172-L208 HydrophobicContact CG1-CD1 3.93Å; V172-W227 HydrophobicContact CG1-CZ2 4.14Å
173	V	98.9	Very high	98.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-65.7	121.2	176.1	180	0	0	0	0	108.9	P134 V136 L175 W183 F184 W227	P134-V173 PolarHBondContact O-N 2.89Å; V136-V173 HydrophobicContact CG1-CG2 4.06Å; V136-V173 HydrophobicContact CG2-CG2 4.08Å; V173-L175 HydrophobicContact CG1-CD2 4.17Å; V173-L175 PolarHBondContact O-N 3.28Å; V173-W183 HydrophobicContact CG1-CE3 4.43Å; V173-W183 HydrophobicContact CG1-CZ3 4.07Å; V173-W183 HydrophobicContact CG2-CZ3 4.11Å; V173-F184 HydrophobicContact CG1-CB 4.13Å; V173-F184 HydrophobicContact CG1-CD1 4.46Å; V173-F184 HydrophobicContact CG1-CD2 4.29Å; V173-F184 HydrophobicContact CG1-CG 4.07Å; V173-F184 HydrophobicContact CG2-CD2 4.08Å; V173-F184 HydrophobicContact CG2-CE2 3.89Å; V173-F184 HydrophobicContact CG2-CG 4.5Å; V173-F184 HydrophobicContact CG2-CZ 4.16Å; V173-W227 WeakPolarHBondContact O-CZ2 3.47Å
174	D	98.9	Very high	98.1	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.032	19%	0.189	C	C	.	.			trans	-77.8	90.2	-177.8	-171.5	-11.5	0	0	0	111.2	Y151 A153 V172 T176 N177 A180 H215	Y151-D174 PolarHBondContact O-N 2.79Å; A153-D174 HydrophobicContact CB-CB 4.44Å; V172-D174 PolarHBondContact O-N 3.35Å; D174-T176 PolarHBondContact O-N 2.87Å; D174-T176 WeakPolarHBondContact OD1-CA 3.47Å; D174-T176 VanDerWaalsContact OD1-CB 3.27Å; D174-T176 WeakPolarHBondContact OD1-CB 3.38Å; D174-T176 PolarHBondContact OD1-N 3.46Å; D174-T176 PolarHBondContact OD1-OG1 3.11Å; D174-N177 HydrophobicContact CB-CB 4.28Å; D174-N177 WeakPolarHBondContact O-CB 3.4Å; D174-N177 PolarHBondContact O-N 3.03Å; D174-N177 PolarHBondContact OD1-N 2.83Å; D174-A180 WeakPolarHBondContact O-CB 3.38Å; D174-H215 VanDerWaalsContact OD2-CB 3.24Å; D174-H215 WeakPolarHBondContact OD2-CB 3.32Å; D174-H215 PolarHBondContact OD2-N 3.38Å
175	L	98.9	Very high	98.1	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-9.5	178.7	-58.5	-179.7	0	0	0	113.7	V173 Y181 W227 L230 W231	V173-L175 HydrophobicContact CG1-CD2 4.17Å; V173-L175 PolarHBondContact O-N 3.28Å; L175-Y181 HydrophobicContact CB-CD2 4.27Å; L175-Y181 HydrophobicContact CD2-CD2 4.29Å; L175-W227 HydrophobicContact CB-CH2 3.95Å; L175-W227 HydrophobicContact CB-CZ2 4.08Å; L175-W227 HydrophobicContact CB-CZ3 4.35Å; L175-W227 HydrophobicContact CD1-CZ2 4.1Å; L175-W227 HydrophobicContact CG-CH2 4.23Å; L175-W227 HydrophobicContact CG-CZ2 3.84Å; L175-L230 HydrophobicContact CB-CD2 3.53Å; L175-L230 HydrophobicContact CB-CG 3.75Å; L175-L230 HydrophobicContact CD1-CG 4.29Å; L175-W231 HydrophobicContact CD1-CB 3.89Å; L175-W231 HydrophobicContact CD1-CE3 4.38Å
176	T	98.9	Very high	98.2	Very high	18 Å²	18	34 Å²	34	11%	0.11	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-17.9	173.4	81.1	0	0	0	0	112.7	D174 P178 L214 H215 N216 M223 W227 L230	D174-T176 PolarHBondContact O-N 2.87Å; D174-T176 WeakPolarHBondContact OD1-CA 3.47Å; D174-T176 VanDerWaalsContact OD1-CB 3.27Å; D174-T176 WeakPolarHBondContact OD1-CB 3.38Å; D174-T176 PolarHBondContact OD1-N 3.46Å; D174-T176 PolarHBondContact OD1-OG1 3.11Å; T176-P178 WeakPolarHBondContact O-CD 3.36Å; T176-L214 HydrophobicContact CG2-CB 4.3Å; T176-L214 HydrophobicContact CG2-CD1 4.22Å; T176-H215 PolarHBondContact OG1-N 2.77Å; T176-N216 PolarHBondContact OG1-N 3.22Å; T176-M223 HydrophobicContact CG2-CE 3.65Å; T176-W227 HydrophobicContact CG2-CZ3 3.85Å; T176-L230 HydrophobicContact CG2-CD2 4.34Å
177	N	98.9	Very high	98.6	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.064	16%	0.163	C	C	.	.	S	Bend	trans	-78.2	116.7	169.3	179.6	-18.6	0	0	0	108.7	D174 E179 A180 Y181 H215	D174-N177 HydrophobicContact CB-CB 4.28Å; D174-N177 WeakPolarHBondContact O-CB 3.4Å; D174-N177 PolarHBondContact O-N 3.03Å; D174-N177 PolarHBondContact OD1-N 2.83Å; N177-E179 VanDerWaalsContact C-N 3.25Å; N177-E179 PolarHBondContact O-N 2.92Å; N177-E179 PolarHBondContact OD1-N 3.4Å; N177-A180 HydrophobicContact CB-CB 3.79Å; N177-A180 PolarHBondContact O-N 3.45Å; N177-A180 PolarHBondContact OD1-N 2.93Å; N177-Y181 WeakPolarHBondContact O-CB 3.38Å; N177-Y181 PolarHBondContact O-N 3.1Å; N177-H215 HydrophobicContact CB-CB 3.67Å
178	P	98.9	Very high	98.8	Very high	92 Å²	92	27 Å²	27	60%	0.597	14%	0.138	S	C	*	.	H	α-helix	trans	-58.6	-34.4	-177.4	-24.8	35.1	0	0	0	114	T176 A182	T176-P178 WeakPolarHBondContact O-CD 3.36Å; P178-A182 WeakPolarHBondContact O-CB 3.29Å; P178-A182 PolarHBondContact O-N 3.03Å
179	E	98.9	Very high	98.9	Very high	127 Å²	127	28 Å²	28	59%	0.593	14%	0.142	S	C	*	.	H	α-helix	trans	-75.3	-41.8	179.9	-64.9	-177	-165.5	0	0	111.4	Y151 N177 Y181 A182 W183	Y151-E179 HydrophobicContact CE1-CB 3.74Å; N177-E179 VanDerWaalsContact C-N 3.25Å; N177-E179 PolarHBondContact O-N 2.92Å; N177-E179 PolarHBondContact OD1-N 3.4Å; E179-Y181 VanDerWaalsContact C-N 3.34Å; E179-A182 PolarHBondContact O-N 2.69Å; E179-W183 VanDerWaalsContact O-CB 3.29Å; E179-W183 WeakPolarHBondContact O-CB 3.45Å; E179-W183 PolarHBondContact O-N 2.97Å
180	A	98.9	Very high	98.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-42	174.4	0	0	0	0	0	111.5	Y151 D174 N177 W183 F184	Y151-A180 HydrophobicContact CD1-CB 3.73Å; Y151-A180 HydrophobicContact CD2-CB 4.44Å; Y151-A180 HydrophobicContact CG-CB 3.66Å; D174-A180 WeakPolarHBondContact O-CB 3.38Å; N177-A180 HydrophobicContact CB-CB 3.79Å; N177-A180 PolarHBondContact O-N 3.45Å; N177-A180 PolarHBondContact OD1-N 2.93Å; A180-W183 PolarHBondContact O-N 3.36Å; A180-F184 WeakPolarHBondContact O-CB 3.33Å; A180-F184 PolarHBondContact O-N 3.32Å
181	Y	98.9	Very high	98.9	Very high	23 Å²	23	29.2 Å²	29.2	9%	0.09	15%	0.151	C	C	.	.	H	α-helix	trans	-59.4	-48.9	174.5	-178.9	-84.9	0	0	0	111.5	L175 N177 E179 F184 K185 L230 K233 C234 E237	L175-Y181 HydrophobicContact CB-CD2 4.27Å; L175-Y181 HydrophobicContact CD2-CD2 4.29Å; N177-Y181 WeakPolarHBondContact O-CB 3.38Å; N177-Y181 PolarHBondContact O-N 3.1Å; E179-Y181 VanDerWaalsContact C-N 3.34Å; Y181-F184 PolarHBondContact O-N 3.22Å; Y181-K185 WeakPolarHBondContact O-CB 3.43Å; Y181-K185 PolarHBondContact O-N 3.12Å; Y181-L230 HydrophobicContact CD2-CD1 4.35Å; Y181-L230 HydrophobicContact CE2-CD1 4.01Å; Y181-K233 WeakPolarHBondContact OH-CG 3.31Å; Y181-K233 PolarHBondContact OH-O 3.49Å; Y181-C234 HydrophobicContact CD2-CB 4.35Å; Y181-C234 HydrophobicContact CE2-CB 3.66Å; Y181-C234 VanDerWaalsContact OH-CA 3.23Å; Y181-C234 WeakPolarHBondContact OH-CA 3.32Å; Y181-C234 PolarHBondContact OH-N 3.03Å; Y181-E237 VanDerWaalsContact CE1-OE2 3.31Å; Y181-E237 WeakPolarHBondContact CE1-OE2 3.28Å; Y181-E237 PolarHBondContact OH-OE2 2.99Å
182	A	98.9	Very high	98.9	Very high	45 Å²	45	29.2 Å²	29.2	37%	0.372	15%	0.151	S	C	.	.	H	α-helix	trans	-63.1	-42.4	177.4	0	0	0	0	0	112	P178 E179 K185 E186	P178-A182 WeakPolarHBondContact O-CB 3.29Å; P178-A182 PolarHBondContact O-N 3.03Å; E179-A182 PolarHBondContact O-N 2.69Å; A182-K185 PolarHBondContact O-N 2.97Å; A182-E186 WeakPolarHBondContact O-CG 3.21Å; A182-E186 PolarHBondContact O-N 3.42Å
183	W	98.9	Very high	98.9	Very high	28 Å²	28	30 Å²	30	11%	0.106	16%	0.156	C	C	.	.	H	α-helix	trans	-60.1	-47	175.8	165.5	81.8	0	0	0	112.1	L142 E145 A146 Y151 V173 E179 A180 K185 E186 V187	L142-W183 HydrophobicContact CB-CH2 4.28Å; L142-W183 HydrophobicContact CB-CZ2 4.27Å; L142-W183 HydrophobicContact CD2-CZ2 3.95Å; L142-W183 WeakPolarHBondContact O-CH2 3.27Å; E145-W183 VanDerWaalsContact CD-NE1 3.31Å; E145-W183 PolarHBondContact OE1-NE1 3.39Å; A146-W183 HydrophobicContact CB-CH2 3.9Å; A146-W183 HydrophobicContact CB-CZ2 4.49Å; A146-W183 HydrophobicContact CB-CZ3 4.21Å; Y151-W183 HydrophobicContact CD2-CB 4Å; Y151-W183 AromaticContact CD2-CD2 3.66Å; Y151-W183 HydrophobicContact CD2-CD2 3.66Å; Y151-W183 AromaticContact CD2-CE3 3.78Å; Y151-W183 HydrophobicContact CD2-CE3 3.78Å; Y151-W183 AromaticContact CD2-CG 3.75Å; Y151-W183 HydrophobicContact CD2-CG 3.75Å; Y151-W183 HydrophobicContact CD2-CZ3 4.47Å; Y151-W183 HydrophobicContact CE2-CB 3.54Å; Y151-W183 AromaticContact CE2-CD1 3.86Å; Y151-W183 AromaticContact CE2-CD2 3.93Å; Y151-W183 HydrophobicContact CE2-CD2 3.93Å; Y151-W183 HydrophobicContact CE2-CE3 4.45Å; Y151-W183 AromaticContact CE2-CG 3.49Å; Y151-W183 HydrophobicContact CE2-CG 3.49Å; Y151-W183 VanDerWaalsContact CE2-CG 3.49Å; V173-W183 HydrophobicContact CG1-CE3 4.43Å; V173-W183 HydrophobicContact CG1-CZ3 4.07Å; V173-W183 HydrophobicContact CG2-CZ3 4.11Å; E179-W183 VanDerWaalsContact O-CB 3.29Å; E179-W183 WeakPolarHBondContact O-CB 3.45Å; E179-W183 PolarHBondContact O-N 2.97Å; A180-W183 PolarHBondContact O-N 3.36Å; W183-K185 VanDerWaalsContact C-N 3.32Å; W183-K185 PolarHBondContact O-N 2.79Å; W183-E186 CarbonylContact O-C 3.29Å; W183-E186 WeakPolarHBondContact O-CA 3.37Å; W183-E186 VanDerWaalsContact O-CB 3.32Å; W183-E186 WeakPolarHBondContact O-CB 3.2Å; W183-E186 PolarHBondContact O-N 2.9Å; W183-V187 HydrophobicContact CD2-CG2 4.43Å; W183-V187 HydrophobicContact CZ2-CG2 4.16Å; W183-V187 PolarHBondContact O-N 3.02Å
184	F	98.9	Very high	98.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.8	-31.3	-178.2	-151	-121.8	0	0	0	112.2	W104 I132 N133 V136 V173 A180 Y181 E186 V187 I188 W231	W104-F184 AromaticContact CD1-CE2 3.74Å; W104-F184 AromaticContact CD1-CZ 3.52Å; W104-F184 AromaticContact NE1-CZ 3.6Å; I132-F184 HydrophobicContact CD1-CE1 4.16Å; I132-F184 HydrophobicContact CD1-CZ 4.12Å; I132-F184 HydrophobicContact CG1-CZ 4.44Å; N133-F184 WeakPolarHBondContact O-CZ 3.47Å; V136-F184 HydrophobicContact CG1-CE2 3.81Å; V136-F184 HydrophobicContact CG1-CZ 4.35Å; V173-F184 HydrophobicContact CG1-CB 4.13Å; V173-F184 HydrophobicContact CG1-CD1 4.46Å; V173-F184 HydrophobicContact CG1-CD2 4.29Å; V173-F184 HydrophobicContact CG1-CG 4.07Å; V173-F184 HydrophobicContact CG2-CD2 4.08Å; V173-F184 HydrophobicContact CG2-CE2 3.89Å; V173-F184 HydrophobicContact CG2-CG 4.5Å; V173-F184 HydrophobicContact CG2-CZ 4.16Å; A180-F184 WeakPolarHBondContact O-CB 3.33Å; A180-F184 PolarHBondContact O-N 3.32Å; Y181-F184 PolarHBondContact O-N 3.22Å; F184-E186 VanDerWaalsContact C-N 3.35Å; F184-V187 HydrophobicContact CD2-CB 4.4Å; F184-V187 HydrophobicContact CD2-CG2 4.39Å; F184-V187 WeakPolarHBondContact O-CB 3.5Å; F184-V187 PolarHBondContact O-N 3.27Å; F184-I188 PolarHBondContact O-N 3.37Å; F184-W231 HydrophobicContact CD1-CH2 4.17Å; F184-W231 AromaticContact CD1-CZ3 3.67Å; F184-W231 HydrophobicContact CD1-CZ3 3.67Å; F184-W231 AromaticContact CE1-CH2 3.74Å; F184-W231 HydrophobicContact CE1-CH2 3.74Å; F184-W231 AromaticContact CE1-CZ3 3.66Å; F184-W231 HydrophobicContact CE1-CZ3 3.66Å
185	K	98.9	Very high	98.9	Very high	17 Å²	17	38 Å²	38	7%	0.074	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-41	166.9	179.3	165	56.2	176.7	0	111.9	Y181 A182 W183 V187 I188 K189 E237 A238 E241	Y181-K185 WeakPolarHBondContact O-CB 3.43Å; Y181-K185 PolarHBondContact O-N 3.12Å; A182-K185 PolarHBondContact O-N 2.97Å; W183-K185 VanDerWaalsContact C-N 3.32Å; W183-K185 PolarHBondContact O-N 2.79Å; K185-V187 VanDerWaalsContact C-N 3.33Å; K185-V187 PolarHBondContact O-N 3.12Å; K185-I188 WeakPolarHBondContact O-CB 3.16Å; K185-I188 PolarHBondContact O-N 3.45Å; K185-K189 HydrophobicContact CG-CD 4.05Å; K185-K189 WeakPolarHBondContact O-CG 3.31Å; K185-K189 PolarHBondContact O-N 2.97Å; K185-E237 HydrophobicContact CD-CB 3.57Å; K185-E237 IonicContact NZ-OE2 3.78Å; K185-E237 PolarHBondContact NZ-OE2 2.66Å; K185-A238 HydrophobicContact CG-CB 4.01Å; K185-E241 VanDerWaalsContact CE-OE1 3.25Å; K185-E241 WeakPolarHBondContact CE-OE1 3.31Å; K185-E241 IonicContact NZ-OE1 3.57Å; K185-E241 PolarHBondContact NZ-OE1 3.08Å; K185-E241 IonicContact NZ-OE2 3.89Å
186	E	98.9	Very high	98.9	Very high	60 Å²	60	39 Å²	39	28%	0.28	21%	0.206	S	C	.	.	H	α-helix	trans	-64.2	-34.5	173.4	-73.8	-68.3	124.1	0	0	112.9	A182 W183 F184 I188 K189 K190	A182-E186 WeakPolarHBondContact O-CG 3.21Å; A182-E186 PolarHBondContact O-N 3.42Å; W183-E186 CarbonylContact O-C 3.29Å; W183-E186 WeakPolarHBondContact O-CA 3.37Å; W183-E186 VanDerWaalsContact O-CB 3.32Å; W183-E186 WeakPolarHBondContact O-CB 3.2Å; W183-E186 PolarHBondContact O-N 2.9Å; F184-E186 VanDerWaalsContact C-N 3.35Å; E186-I188 VanDerWaalsContact C-N 3.34Å; E186-K189 PolarHBondContact O-N 3.02Å; E186-K189 VanDerWaalsContact OE1-CE 3.25Å; E186-K189 WeakPolarHBondContact OE1-CE 3.28Å; E186-K189 IonicContact OE1-NZ 3.53Å; E186-K189 PolarHBondContact OE1-NZ 3.16Å; E186-K190 WeakPolarHBondContact O-CB 3.25Å; E186-K190 WeakPolarHBondContact O-CG 3.49Å; E186-K190 PolarHBondContact O-N 3.2Å; E186-K190 WeakPolarHBondContact OE2-CE 3.34Å; E186-K190 IonicContact OE2-NZ 2.67Å; E186-K190 PolarHBondContact OE2-NZ 3.36Å
187	V	98.9	Very high	98.9	Very high	9 Å²	9	38.3 Å²	38.3	6%	0.055	20%	0.201	C	C	.	.	H	α-helix	trans	-58.4	-46.5	172	167.4	0	0	0	0	110.5	W104 L142 W183 F184 K185 N191	W104-V187 HydrophobicContact CB-CG1 4.02Å; L142-V187 HydrophobicContact CD1-CG1 4.03Å; L142-V187 HydrophobicContact CD2-CG2 4.02Å; W183-V187 HydrophobicContact CD2-CG2 4.43Å; W183-V187 HydrophobicContact CZ2-CG2 4.16Å; W183-V187 PolarHBondContact O-N 3.02Å; F184-V187 HydrophobicContact CD2-CB 4.4Å; F184-V187 HydrophobicContact CD2-CG2 4.39Å; F184-V187 WeakPolarHBondContact O-CB 3.5Å; F184-V187 PolarHBondContact O-N 3.27Å; K185-V187 VanDerWaalsContact C-N 3.33Å; K185-V187 PolarHBondContact O-N 3.12Å; V187-N191 WeakPolarHBondContact O-CB 3.13Å; V187-N191 PolarHBondContact O-N 3.03Å
188	I	98.9	Very high	98.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-49.6	176.3	-64.4	166.1	0	0	0	110.5	I132 F184 K185 E186 K190 M192 I193 W200 W231 A238	I132-I188 HydrophobicContact CD1-CG1 3.79Å; F184-I188 PolarHBondContact O-N 3.37Å; K185-I188 WeakPolarHBondContact O-CB 3.16Å; K185-I188 PolarHBondContact O-N 3.45Å; E186-I188 VanDerWaalsContact C-N 3.34Å; I188-K190 PolarHBondContact O-N 3.26Å; I188-M192 WeakPolarHBondContact O-CB 3.35Å; I188-M192 PolarHBondContact O-N 2.89Å; I188-M192 VanDerWaalsContact O-N 3.1Å; I188-I193 HydrophobicContact CG2-CD1 4.25Å; I188-I193 HydrophobicContact CG2-CG1 4.35Å; I188-I193 PolarHBondContact O-N 2.69Å; I188-I193 VanDerWaalsContact O-N 3.09Å; I188-W200 HydrophobicContact CG2-CH2 3.6Å; I188-W200 HydrophobicContact CG2-CZ2 3.41Å; I188-W200 VanDerWaalsContact CG2-CZ2 3.41Å; I188-W231 HydrophobicContact CD1-CH2 3.94Å; I188-W231 HydrophobicContact CD1-CZ3 4.02Å; I188-A238 HydrophobicContact CB-CB 4.06Å; I188-A238 HydrophobicContact CG2-CB 3.65Å
189	K	98.9	Very high	98.9	Very high	30 Å²	30	33.5 Å²	33.5	13%	0.13	17%	0.171	C	C	.	.	I	π-helix	trans	-58.1	-52.2	-178.2	-69.3	164	66.3	179.1	0	111.4	K185 E186 I193 E194 A238 E241 T242	K185-K189 HydrophobicContact CG-CD 4.05Å; K185-K189 WeakPolarHBondContact O-CG 3.31Å; K185-K189 PolarHBondContact O-N 2.97Å; E186-K189 PolarHBondContact O-N 3.02Å; E186-K189 VanDerWaalsContact OE1-CE 3.25Å; E186-K189 WeakPolarHBondContact OE1-CE 3.28Å; E186-K189 IonicContact OE1-NZ 3.53Å; E186-K189 PolarHBondContact OE1-NZ 3.16Å; K189-I193 HydrophobicContact CG-CD1 4.33Å; K189-I193 WeakPolarHBondContact O-CB 3.43Å; K189-I193 PolarHBondContact O-N 2.81Å; K189-E194 WeakPolarHBondContact O-CG 3.42Å; K189-E194 PolarHBondContact O-N 3.41Å; K189-A238 HydrophobicContact CG-CB 4.05Å; K189-E241 IonicContact NZ-OE2 2.7Å; K189-E241 PolarHBondContact NZ-OE2 3.08Å; K189-T242 HydrophobicContact CD-CG2 4.49Å; K189-T242 HydrophobicContact CG-CG2 3.98Å
190	K	98.8	Very high	98.9	Very high	106 Å²	106	27.5 Å²	27.5	46%	0.461	14%	0.143	S	C	.	.	I	π-helix	trans	-77.4	-42	-174.5	-69.3	174.6	-177.2	142.6	0	113.5	E186 I188	E186-K190 WeakPolarHBondContact O-CB 3.25Å; E186-K190 WeakPolarHBondContact O-CG 3.49Å; E186-K190 PolarHBondContact O-N 3.2Å; E186-K190 WeakPolarHBondContact OE2-CE 3.34Å; E186-K190 IonicContact OE2-NZ 2.67Å; E186-K190 PolarHBondContact OE2-NZ 3.36Å; I188-K190 PolarHBondContact O-N 3.26Å
191	N	98.9	Very high	98.9	Very high	35 Å²	35	27.6 Å²	27.6	19%	0.187	14%	0.143	C	C	.	.	I	π-helix	trans	-92.2	-17.1	-168.8	-55.7	-10.7	0	0	0	112.9	W88 W104 K105 V187	W88-N191 HydrophobicContact CH2-CB 4.42Å; W88-N191 WeakPolarHBondContact CH2-O 3.18Å; W88-N191 WeakPolarHBondContact CZ3-O 3.38Å; W104-N191 WeakPolarHBondContact O-CB 3.26Å; W104-N191 PolarHBondContact O-ND2 3.36Å; K105-N191 VanDerWaalsContact CG-ND2 3.29Å; K105-N191 WeakPolarHBondContact CG-ND2 3.35Å; V187-N191 WeakPolarHBondContact O-CB 3.13Å; V187-N191 PolarHBondContact O-N 3.03Å
192	M	98.9	Very high	98.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	I	π-helix	trans	-122.2	-55.3	-177.4	-55.6	174.3	78	0	0	111.8	W88 A130 I132 I188 L195 G196 C197 W200	W88-M192 HydrophobicContact CH2-CG 3.59Å; W88-M192 HydrophobicContact CZ2-CE 4.26Å; W88-M192 HydrophobicContact CZ2-CG 3.84Å; W88-M192 HydrophobicContact CZ2-SD 4.22Å; W88-M192 HydrophobicContact CZ3-CG 4.46Å; A130-M192 HydrophobicContact CB-CE 3.62Å; I132-M192 HydrophobicContact CB-CE 4.21Å; I132-M192 HydrophobicContact CB-SD 4Å; I132-M192 HydrophobicContact CD1-SD 4.16Å; I132-M192 HydrophobicContact CG2-CE 3.98Å; I132-M192 HydrophobicContact CG2-SD 3.94Å; I188-M192 WeakPolarHBondContact O-CB 3.35Å; I188-M192 PolarHBondContact O-N 2.89Å; I188-M192 VanDerWaalsContact O-N 3.1Å; M192-L195 PolarHBondContact O-N 2.76Å; M192-G196 PolarHBondContact O-N 2.83Å; M192-C197 HydrophobicContact CB-CB 4.42Å; M192-C197 VanDerWaalsContact O-CB 3.28Å; M192-C197 WeakPolarHBondContact O-CB 3.5Å; M192-C197 PolarHBondContact O-N 3.44Å; M192-C197 PolarHBondContact O-SG 2.87Å; M192-C197 VanDerWaalsContact O-SG 3.41Å; M192-W200 HydrophobicContact CB-CE3 4.29Å; M192-W200 HydrophobicContact CB-CZ3 4.26Å; M192-W200 HydrophobicContact CE-CB 3.36Å; M192-W200 HydrophobicContact CE-CD2 3.51Å; M192-W200 HydrophobicContact CE-CE3 3.77Å; M192-W200 HydrophobicContact CE-CG 3.34Å; M192-W200 HydrophobicContact SD-CD2 4.33Å
193	I	98.9	Very high	98.9	Very high	18 Å²	18	25 Å²	25	9%	0.092	13%	0.125	C	C	.	.	I	π-helix	trans	-66.8	-50.5	-177	-58.3	178.5	0	0	0	110.5	I188 K189 L195 G196 W200 A238 L239 T242 K244 I248	I188-I193 HydrophobicContact CG2-CD1 4.25Å; I188-I193 HydrophobicContact CG2-CG1 4.35Å; I188-I193 PolarHBondContact O-N 2.69Å; I188-I193 VanDerWaalsContact O-N 3.09Å; K189-I193 HydrophobicContact CG-CD1 4.33Å; K189-I193 WeakPolarHBondContact O-CB 3.43Å; K189-I193 PolarHBondContact O-N 2.81Å; I193-L195 VanDerWaalsContact C-N 3.27Å; I193-L195 PolarHBondContact O-N 2.84Å; I193-G196 WeakPolarHBondContact O-CA 3.29Å; I193-G196 PolarHBondContact O-N 3.01Å; I193-W200 HydrophobicContact CD1-CH2 4.01Å; I193-W200 HydrophobicContact CG1-CH2 3.68Å; I193-W200 HydrophobicContact CG1-CZ3 3.92Å; I193-A238 HydrophobicContact CD1-CB 4.13Å; I193-L239 HydrophobicContact CD1-CD1 4.24Å; I193-T242 HydrophobicContact CD1-CG2 4.14Å; I193-T242 HydrophobicContact CG2-CG2 4.27Å; I193-K244 HydrophobicContact CG2-CG 4.26Å; I193-I248 HydrophobicContact CB-CD1 4.44Å; I193-I248 HydrophobicContact CG1-CD1 4.09Å; I193-I248 HydrophobicContact CG2-CD1 3.92Å
194	E	98.8	Very high	98.8	Very high	142 Å²	142	24.8 Å²	24.8	66%	0.664	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.7	178.3	-71.7	173.8	-153	0	0	113.2	K189 G196	K189-E194 WeakPolarHBondContact O-CG 3.42Å; K189-E194 PolarHBondContact O-N 3.41Å; E194-G196 PolarHBondContact O-N 3.37Å
195	L	98.8	Very high	98.8	Very high	31 Å²	31	24.8 Å²	24.8	16%	0.162	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.5	170.5	-178.6	62.4	0	0	0	112	W88 W106 D115 I118 M192 I193	W88-L195 HydrophobicContact CE3-CD2 4.08Å; W88-L195 HydrophobicContact CZ3-CD2 3.84Å; W106-L195 HydrophobicContact CB-CD2 3.88Å; W106-L195 HydrophobicContact CE3-CD1 4.14Å; W106-L195 HydrophobicContact CG-CD2 4.4Å; D115-L195 HydrophobicContact CB-CD1 4.09Å; I118-L195 HydrophobicContact CD1-CD2 4.44Å; I118-L195 HydrophobicContact CD1-CG 4.02Å; M192-L195 PolarHBondContact O-N 2.76Å; I193-L195 VanDerWaalsContact C-N 3.27Å; I193-L195 PolarHBondContact O-N 2.84Å
196	G	98.8	Very high	98.8	Very high	27 Å²	27	27 Å²	27	28%	0.278	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	102	18.7	-179.5	0	0	0	0	0	114.5	I118 M192 I193 E194 G198	I118-G196 WeakPolarHBondContact CG2-O 3.34Å; M192-G196 PolarHBondContact O-N 2.83Å; I193-G196 WeakPolarHBondContact O-CA 3.29Å; I193-G196 PolarHBondContact O-N 3.01Å; E194-G196 PolarHBondContact O-N 3.37Å; G196-G198 PolarHBondContact O-N 2.97Å
197	C	98.9	Very high	98.8	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.02	15%	0.145	C	C	.	.			trans	-64.4	125.9	174.5	-63.3	0	0	0	0	110.7	F128 M192 G199 W200 I248	F128-C197 CarbonylContact O-C 3.49Å; F128-C197 WeakPolarHBondContact O-CA 3.17Å; M192-C197 HydrophobicContact CB-CB 4.42Å; M192-C197 VanDerWaalsContact O-CB 3.28Å; M192-C197 WeakPolarHBondContact O-CB 3.5Å; M192-C197 PolarHBondContact O-N 3.44Å; M192-C197 PolarHBondContact O-SG 2.87Å; M192-C197 VanDerWaalsContact O-SG 3.41Å; C197-G199 PolarHBondContact O-N 2.83Å; C197-W200 HydrophobicContact CB-CE3 4.43Å; C197-I248 WeakPolarHBondContact O-CD1 3.13Å
198	G	98.9	Very high	98.8	Very high	3 Å²	3	29.5 Å²	29.5	3%	0.031	14%	0.142	C	C	.	.	S	Bend	trans	-78.6	-6.2	172.9	0	0	0	0	0	113.6	W50 F128 G196 I248 L249	W50-G198 VanDerWaalsContact CZ2-O 3.3Å; W50-G198 WeakPolarHBondContact CZ2-O 3.5Å; F128-G198 PolarHBondContact O-N 3.05Å; G196-G198 PolarHBondContact O-N 2.97Å; G198-I248 VanDerWaalsContact O-CA 3.29Å; G198-I248 WeakPolarHBondContact O-CA 3.42Å; G198-L249 PolarHBondContact O-N 3.35Å
199	G	99	Very high	98.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.2	179.3	-179.4	0	0	0	0	0	113.7	L129 A130 C197 L249	L129-G199 CarbonylContact C-O 3.48Å; L129-G199 WeakPolarHBondContact CA-O 3.23Å; A130-G199 PolarHBondContact N-O 3.21Å; C197-G199 PolarHBondContact O-N 2.83Å; G199-L249 CarbonylContact C-O 3.58Å; G199-L249 WeakPolarHBondContact CA-O 3.37Å
200	W	98.9	Very high	98.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	158.7	173.8	51.3	89.4	0	0	0	112.9	A130 I132 I188 M192 I193 C197 A202 N235 L239 I248 L249 F250 F251	A130-W200 HydrophobicContact CB-CB 4.3Å; A130-W200 WeakPolarHBondContact O-CA 3.41Å; A130-W200 WeakPolarHBondContact O-CB 3.38Å; I132-W200 VanDerWaalsContact CG2-CD1 3.47Å; I132-W200 HydrophobicContact CG2-CG 4.21Å; I188-W200 HydrophobicContact CG2-CH2 3.6Å; I188-W200 HydrophobicContact CG2-CZ2 3.41Å; I188-W200 VanDerWaalsContact CG2-CZ2 3.41Å; M192-W200 HydrophobicContact CB-CE3 4.29Å; M192-W200 HydrophobicContact CB-CZ3 4.26Å; M192-W200 HydrophobicContact CE-CB 3.36Å; M192-W200 HydrophobicContact CE-CD2 3.51Å; M192-W200 HydrophobicContact CE-CE3 3.77Å; M192-W200 HydrophobicContact CE-CG 3.34Å; M192-W200 HydrophobicContact SD-CD2 4.33Å; I193-W200 HydrophobicContact CD1-CH2 4.01Å; I193-W200 HydrophobicContact CG1-CH2 3.68Å; I193-W200 HydrophobicContact CG1-CZ3 3.92Å; C197-W200 HydrophobicContact CB-CE3 4.43Å; W200-A202 PolarHBondContact O-N 3.31Å; W200-N235 PolarHBondContact NE1-OD1 3.48Å; W200-L239 HydrophobicContact CH2-CD1 3.46Å; W200-L239 VanDerWaalsContact CH2-CD1 3.46Å; W200-L239 HydrophobicContact CZ2-CD1 3.69Å; W200-I248 HydrophobicContact CE3-CG2 4.3Å; W200-I248 HydrophobicContact CH2-CG2 3.91Å; W200-I248 HydrophobicContact CZ3-CG2 3.65Å; W200-L249 PolarHBondContact N-O 2.76Å; W200-F250 HydrophobicContact CD2-CB 4.26Å; W200-F250 HydrophobicContact CG-CB 4.2Å; W200-F250 HydrophobicContact CZ2-CB 4.42Å; W200-F250 CarbonylContact O-C 3.51Å; W200-F250 WeakPolarHBondContact O-CA 3.08Å; W200-F250 WeakPolarHBondContact O-CB 3.44Å; W200-F251 VanDerWaalsContact C-CE1 3.46Å; W200-F251 VanDerWaalsContact O-CD1 3.29Å; W200-F251 WeakPolarHBondContact O-CD1 3.25Å; W200-F251 WeakPolarHBondContact O-CE1 3.4Å; W200-F251 PolarHBondContact O-N 3.15Å
201	M	99	Very high	98.8	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	119.7	159.9	-170.9	-177.2	-88.7	0	0	108.2	W84 A130 Y131 I132 D203 F251 W267	W84-M201 HydrophobicContact CH2-CE 3.38Å; W84-M201 HydrophobicContact CH2-SD 4.17Å; W84-M201 HydrophobicContact CZ2-CB 3.9Å; W84-M201 HydrophobicContact CZ2-CE 3.46Å; W84-M201 VanDerWaalsContact CZ2-CE 3.46Å; W84-M201 HydrophobicContact CZ2-CG 4.42Å; W84-M201 HydrophobicContact CZ2-SD 3.77Å; W84-M201 HydrophobicContact CZ3-CE 4.35Å; A130-M201 PolarHBondContact O-N 2.78Å; A130-M201 VanDerWaalsContact O-N 3.08Å; Y131-M201 WeakPolarHBondContact CA-O 3.44Å; Y131-M201 HydrophobicContact CD2-CB 3.77Å; Y131-M201 HydrophobicContact CD2-CG 4.04Å; Y131-M201 HydrophobicContact CD2-SD 3.67Å; Y131-M201 HydrophobicContact CE2-CB 4.41Å; Y131-M201 HydrophobicContact CE2-CG 4.18Å; Y131-M201 HydrophobicContact CE2-SD 3.53Å; Y131-M201 VanDerWaalsContact CE2-SD 3.53Å; I132-M201 PolarHBondContact N-O 3.27Å; I132-M201 VanDerWaalsContact O-O 3.1Å; M201-D203 HydrophobicContact CG-CB 4Å; M201-D203 HydrophobicContact SD-CB 4.06Å; M201-F251 HydrophobicContact CB-CD2 4.09Å; M201-F251 HydrophobicContact CB-CE1 4.44Å; M201-F251 HydrophobicContact CB-CE2 3.4Å; M201-F251 HydrophobicContact CB-CZ 3.6Å; M201-F251 HydrophobicContact CE-CD2 4.46Å; M201-F251 HydrophobicContact CE-CE2 3.69Å; M201-F251 HydrophobicContact CG-CD2 4Å; M201-F251 HydrophobicContact CG-CE2 3.59Å; M201-F251 HydrophobicContact CG-CZ 4.31Å; M201-F251 HydrophobicContact SD-CE2 4.46Å; M201-W267 HydrophobicContact CE-CD2 4.37Å; M201-W267 HydrophobicContact CE-CE3 4.11Å; M201-W267 HydrophobicContact CE-CH2 4.08Å; M201-W267 HydrophobicContact CE-CZ2 4.3Å; M201-W267 HydrophobicContact CE-CZ3 3.94Å; M201-W267 HydrophobicContact SD-CZ3 4.21Å
202	A	98.9	Very high	98.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	81.3	170.7	0	0	0	0	0	107.8	I132 W200 W231 F250 F251 M252	I132-A202 CarbonylContact O-C 3.56Å; I132-A202 WeakPolarHBondContact O-CA 3.32Å; W200-A202 PolarHBondContact O-N 3.31Å; A202-W231 HydrophobicContact CB-CZ2 4.22Å; A202-F250 HydrophobicContact CB-CB 4.47Å; A202-F250 HydrophobicContact CB-CD2 3.86Å; A202-F251 PolarHBondContact N-O 2.78Å; A202-M252 HydrophobicContact CB-CG 3.96Å; A202-M252 WeakPolarHBondContact O-CG 3.27Å
203	D	98.5	Very high	98.8	Very high	15 Å²	15	36.8 Å²	36.8	8%	0.08	18%	0.183	C	C	.	.			trans	-82.9	172.2	-166.5	-165.4	14.8	0	0	0	112.4	Y131 I132 N133 P134 M201 W231 R253	Y131-D203 HydrophobicContact CD2-CB 4.42Å; Y131-D203 HydrophobicContact CE2-CB 3.46Å; Y131-D203 VanDerWaalsContact CE2-CB 3.46Å; Y131-D203 WeakPolarHBondContact CE2-OD2 3.37Å; Y131-D203 VanDerWaalsContact OH-CB 3.29Å; Y131-D203 WeakPolarHBondContact OH-CB 3.44Å; Y131-D203 PolarHBondContact OH-OD2 2.79Å; I132-D203 PolarHBondContact O-N 2.87Å; N133-D203 HydrophobicContact CB-CB 4.2Å; N133-D203 WeakPolarHBondContact CB-O 3.19Å; P134-D203 WeakPolarHBondContact CD-O 3.47Å; M201-D203 HydrophobicContact CG-CB 4Å; M201-D203 HydrophobicContact SD-CB 4.06Å; D203-W231 PolarHBondContact O-NE1 2.86Å; D203-R253 IonicContact OD1-CZ 3.78Å; D203-R253 IonicContact OD1-NE 2.97Å; D203-R253 PolarHBondContact OD1-NE 3.19Å; D203-R253 IonicContact OD1-NH2 2.72Å
204	F	98.3	Very high	98.8	Very high	22 Å²	22	36.7 Å²	36.7	10%	0.096	18%	0.182	C	C	.	.			trans	58.4	-160.7	-177.7	-71	-98.6	0	0	0	113.2	W102 Y131 N133 P134 Y135 F165 E206 A254	W102-F204 HydrophobicContact CH2-CE1 4.32Å; W102-F204 AromaticContact CH2-CE2 3.91Å; W102-F204 HydrophobicContact CH2-CE2 3.91Å; W102-F204 AromaticContact CH2-CZ 3.62Å; W102-F204 HydrophobicContact CH2-CZ 3.62Å; W102-F204 AromaticContact CZ2-CE2 3.74Å; W102-F204 HydrophobicContact CZ2-CE2 3.74Å; W102-F204 AromaticContact CZ2-CZ 3.79Å; W102-F204 HydrophobicContact CZ2-CZ 3.79Å; Y131-F204 WeakPolarHBondContact OH-CE2 3.17Å; N133-F204 HydrophobicContact CB-CB 4.22Å; N133-F204 HydrophobicContact CB-CD2 3.68Å; N133-F204 HydrophobicContact CB-CG 4.33Å; P134-F204 HydrophobicContact CG-CB 4.39Å; Y135-F204 HydrophobicContact CD2-CB 4.47Å; Y135-F204 HydrophobicContact CD2-CD1 4.47Å; Y135-F204 HydrophobicContact CD2-CG 4.37Å; Y135-F204 HydrophobicContact CE2-CB 3.83Å; Y135-F204 AromaticContact CE2-CD1 3.73Å; Y135-F204 HydrophobicContact CE2-CD1 3.73Å; Y135-F204 HydrophobicContact CE2-CE1 4.47Å; Y135-F204 AromaticContact CE2-CG 3.86Å; Y135-F204 HydrophobicContact CE2-CG 3.86Å; F165-F204 AromaticContact CE1-CE1 3.93Å; F165-F204 HydrophobicContact CE1-CE1 3.93Å; F165-F204 HydrophobicContact CE1-CZ 4.43Å; F204-E206 WeakPolarHBondContact CA-OE2 3.2Å; F204-A254 WeakPolarHBondContact O-CB 3.44Å
205	G	98.5	Very high	98.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.			trans	119.6	-23.8	-174.7	0	0	0	0	0	112.3	W227 P228	G205-W227 WeakPolarHBondContact O-CB 3.43Å; G205-P228 WeakPolarHBondContact O-CD 3.18Å; G205-P228 WeakPolarHBondContact O-CG 3.38Å
206	E	98.5	Very high	98.8	Very high	64 Å²	64	37.3 Å²	37.3	30%	0.299	19%	0.186	S	C	.	.	S	Bend	trans	-88.1	-4.8	-174.8	78.9	-66.4	169	0	0	114.8	F204 H224 R253 A254	F204-E206 WeakPolarHBondContact CA-OE2 3.2Å; E206-H224 PolarHBondContact O-CE1 2.64Å; E206-R253 VanDerWaalsContact CD-NH2 3.3Å; E206-R253 IonicContact OE1-CZ 2.79Å; E206-R253 IonicContact OE1-NH1 2.65Å; E206-R253 PolarHBondContact OE1-NH1 3.05Å; E206-R253 IonicContact OE1-NH2 2.9Å; E206-R253 PolarHBondContact OE1-NH2 2.97Å; E206-R253 IonicContact OE2-CZ 3.4Å; E206-R253 IonicContact OE2-NH1 2.66Å; E206-R253 PolarHBondContact OE2-NH1 2.86Å; E206-R253 IonicContact OE2-NH2 3.12Å; E206-R253 PolarHBondContact OE2-NH2 3.33Å; E206-A254 HydrophobicContact CB-CB 4.23Å
207	Y	98.5	Very high	98.8	Very high	120 Å²	120	39.3 Å²	39.3	47%	0.471	21%	0.207	S	C	.	.			trans	-123.7	50.1	-172.1	-164.5	-122.3	0	0	0	113.4	Y135 V163 F165 P209	Y135-Y207 PolarHBondContact OH-O 3.38Å; V163-Y207 HydrophobicContact CG1-CD1 4.19Å; V163-Y207 HydrophobicContact CG1-CE1 3.67Å; F165-Y207 HydrophobicContact CE1-CD1 4.33Å; Y207-P209 VanDerWaalsContact O-CD 3.26Å; Y207-P209 WeakPolarHBondContact O-CD 3.32Å
208	L	98.8	Very high	98.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.224	C	C	.	.			trans	-73.5	115.3	163.6	179.5	68.5	0	0	0	108.7	V172 T210 T212 L214 M223 H224 W227	V172-L208 HydrophobicContact CG1-CD1 3.93Å; L208-T210 PolarHBondContact O-N 3.22Å; L208-T212 HydrophobicContact CD1-CG2 4.3Å; L208-L214 HydrophobicContact CD1-CD2 4.37Å; L208-L214 HydrophobicContact CD2-CD1 4.17Å; L208-M223 HydrophobicContact CD2-CB 3.87Å; L208-H224 PolarHBondContact O-ND1 2.78Å; L208-W227 HydrophobicContact CB-CB 4.33Å; L208-W227 HydrophobicContact CB-CD2 4.33Å; L208-W227 HydrophobicContact CB-CG 4.12Å; L208-W227 HydrophobicContact CD1-CD2 4.19Å; L208-W227 HydrophobicContact CD1-CE3 4.25Å; L208-W227 HydrophobicContact CD1-CH2 4.12Å; L208-W227 HydrophobicContact CD1-CZ2 4.08Å; L208-W227 HydrophobicContact CD1-CZ3 4.21Å; L208-W227 HydrophobicContact CD2-CD2 4Å; L208-W227 HydrophobicContact CD2-CE3 3.62Å; L208-W227 HydrophobicContact CD2-CG 4.41Å; L208-W227 HydrophobicContact CD2-CZ3 4.02Å; L208-W227 HydrophobicContact CG-CD2 4.4Å; L208-W227 HydrophobicContact CG-CE3 4.42Å
209	P	98.8	Very high	98.7	Very high	11 Å²	11	44.8 Å²	44.8	7%	0.071	24%	0.243	C	C	.	.			trans	-62.6	137.1	179.1	-18.6	30.8	0	0	0	111.3	Y161 V163 Y207 D211 T212 A220	Y161-P209 HydrophobicContact CD1-CG 4.35Å; Y161-P209 HydrophobicContact CE1-CB 3.97Å; Y161-P209 HydrophobicContact CE1-CG 3.66Å; Y161-P209 HydrophobicContact CE2-CB 4.35Å; Y161-P209 VanDerWaalsContact OH-CB 3.3Å; Y161-P209 WeakPolarHBondContact OH-CB 3.33Å; V163-P209 HydrophobicContact CG2-CG 3.57Å; Y207-P209 VanDerWaalsContact O-CD 3.26Å; Y207-P209 WeakPolarHBondContact O-CD 3.32Å; P209-D211 WeakPolarHBondContact CB-OD1 3.25Å; P209-D211 PolarHBondContact O-N 3.02Å; P209-T212 HydrophobicContact CB-CG2 4.08Å; P209-T212 HydrophobicContact CG-CG2 4.13Å; P209-T212 WeakPolarHBondContact O-CB 3.41Å; P209-T212 PolarHBondContact O-N 2.99Å; P209-T212 VanDerWaalsContact O-N 3.15Å; P209-T212 PolarHBondContact O-OG1 2.81Å; P209-A220 WeakPolarHBondContact O-CB 3.35Å
210	T	98.7	Very high	98.7	Very high	83 Å²	83	44.9 Å²	44.9	51%	0.509	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-5.6	-173.2	50.7	0	0	0	0	114.1	L208	L208-T210 PolarHBondContact O-N 3.22Å
211	D	98.8	Very high	98.7	Very high	90 Å²	90	51.5 Å²	51.5	48%	0.481	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	13.9	174.8	63.6	-23.6	0	0	0	112.8	Y161 P209 Y213	Y161-D211 VanDerWaalsContact CE2-OD1 3.29Å; Y161-D211 WeakPolarHBondContact CE2-OD1 2.9Å; Y161-D211 VanDerWaalsContact CZ-OD1 3.29Å; Y161-D211 VanDerWaalsContact OH-CG 3.28Å; Y161-D211 PolarHBondContact OH-OD1 2.87Å; Y161-D211 PolarHBondContact OH-OD2 3.22Å; P209-D211 WeakPolarHBondContact CB-OD1 3.25Å; P209-D211 PolarHBondContact O-N 3.02Å; D211-Y213 WeakPolarHBondContact O-CD2 3.37Å; D211-Y213 WeakPolarHBondContact O-CE2 3.38Å
212	T	98.8	Very high	98.7	Very high	7 Å²	7	55 Å²	55	4%	0.043	29%	0.292	C	S	.	.			trans	-72.4	147.8	165.9	52	0	0	0	0	111.6	A153 K154 Y161 L208 P209 A220	A153-T212 HydrophobicContact CB-CG2 4.15Å; K154-T212 CarbonylContact O-C 3.59Å; K154-T212 WeakPolarHBondContact O-CA 3.46Å; Y161-T212 HydrophobicContact CD1-CG2 4.11Å; Y161-T212 HydrophobicContact CD2-CG2 3.55Å; Y161-T212 HydrophobicContact CE1-CG2 4.43Å; Y161-T212 HydrophobicContact CE2-CG2 3.86Å; Y161-T212 HydrophobicContact CG-CG2 3.68Å; L208-T212 HydrophobicContact CD1-CG2 4.3Å; P209-T212 HydrophobicContact CB-CG2 4.08Å; P209-T212 HydrophobicContact CG-CG2 4.13Å; P209-T212 WeakPolarHBondContact O-CB 3.41Å; P209-T212 PolarHBondContact O-N 2.99Å; P209-T212 VanDerWaalsContact O-N 3.15Å; P209-T212 PolarHBondContact O-OG1 2.81Å; T212-A220 VanDerWaalsContact O-CB 3.3Å; T212-A220 WeakPolarHBondContact O-CB 3.34Å; T212-A220 VanDerWaalsContact OG1-CB 3.24Å; T212-A220 WeakPolarHBondContact OG1-CB 3.5Å
213	Y	98.9	Very high	98.7	Very high	134 Å²	134	56 Å²	56	53%	0.525	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-112.5	119.3	173.2	-68.8	-102.5	0	0	0	108.3	K154 A156 D211	K154-Y213 PolarHBondContact N-O 3.09Å; K154-Y213 PolarHBondContact O-N 3.02Å; A156-Y213 VanDerWaalsContact CA-CE2 3.44Å; A156-Y213 HydrophobicContact CB-CE2 3.62Å; D211-Y213 WeakPolarHBondContact O-CD2 3.37Å; D211-Y213 WeakPolarHBondContact O-CE2 3.38Å
214	L	98.9	Very high	98.7	Very high	16 Å²	16	57.8 Å²	57.8	8%	0.084	31%	0.305	C	S	.	.			trans	-105.2	149.9	-169	-59.3	169.2	0	0	0	111.3	A153 T176 L208 N216 G217 M223 W227	A153-L214 HydrophobicContact CB-CD2 4.04Å; T176-L214 HydrophobicContact CG2-CB 4.3Å; T176-L214 HydrophobicContact CG2-CD1 4.22Å; L208-L214 HydrophobicContact CD1-CD2 4.37Å; L208-L214 HydrophobicContact CD2-CD1 4.17Å; L214-N216 VanDerWaalsContact C-N 3.25Å; L214-N216 PolarHBondContact O-N 2.91Å; L214-G217 PolarHBondContact O-N 2.85Å; L214-M223 HydrophobicContact CD1-CB 3.37Å; L214-M223 HydrophobicContact CD1-CG 3.45Å; L214-M223 VanDerWaalsContact CD1-CG 3.45Å; L214-W227 HydrophobicContact CD1-CZ3 4.47Å; L214-W227 HydrophobicContact CD2-CH2 4.12Å; L214-W227 HydrophobicContact CD2-CZ3 4.08Å
215	H	98.9	Very high	98.7	Very high	116 Å²	116	61.5 Å²	61.5	54%	0.537	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.1	-177.1	-177.4	-78.7	0	0	0	113.2	D174 T176 N177 G217	D174-H215 VanDerWaalsContact OD2-CB 3.24Å; D174-H215 WeakPolarHBondContact OD2-CB 3.32Å; D174-H215 PolarHBondContact OD2-N 3.38Å; T176-H215 PolarHBondContact OG1-N 2.77Å; N177-H215 HydrophobicContact CB-CB 3.67Å; H215-G217 PolarHBondContact O-N 3.32Å
216	N	98.8	Very high	98.8	Very high	69 Å²	69	63.5 Å²	63.5	37%	0.369	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-4.7	177.6	72.4	-2.2	0	0	0	114.5	T176 L214 V218	T176-N216 PolarHBondContact OG1-N 3.22Å; L214-N216 VanDerWaalsContact C-N 3.25Å; L214-N216 PolarHBondContact O-N 2.91Å; N216-V218 PolarHBondContact O-N 3.34Å; N216-V218 WeakPolarHBondContact OD1-CB 3.28Å; N216-V218 PolarHBondContact OD1-N 3Å
217	G	98.7	Very high	98.8	Very high	70 Å²	70	60.4 Å²	60.4	72%	0.722	33%	0.327	S	S	*	.			trans	71.2	5.3	179.9	0	0	0	0	0	115.3	L214 H215	L214-G217 PolarHBondContact O-N 2.85Å; H215-G217 PolarHBondContact O-N 3.32Å
218	V	98.8	Very high	98.8	Very high	61 Å²	61	55 Å²	55	37%	0.37	31%	0.307	S	S	.	.			trans	-79.6	138.4	174.3	-178.2	0	0	0	0	108.7	N216 A220 I222 M223	N216-V218 PolarHBondContact O-N 3.34Å; N216-V218 WeakPolarHBondContact OD1-CB 3.28Å; N216-V218 PolarHBondContact OD1-N 3Å; V218-A220 PolarHBondContact O-N 2.68Å; V218-I222 HydrophobicContact CG1-CB 3.97Å; V218-I222 HydrophobicContact CG1-CG2 4.02Å; V218-M223 HydrophobicContact CB-CG 3.87Å; V218-M223 HydrophobicContact CB-SD 4.22Å; V218-M223 HydrophobicContact CG1-CG 3.77Å; V218-M223 HydrophobicContact CG1-SD 4.11Å
219	S	98.8	Very high	98.8	Very high	60 Å²	60	55.5 Å²	55.5	42%	0.42	31%	0.311	S	S	.	.			trans	-54.3	137.6	176.8	177.4	0	0	0	0	111.5	E221 I222 M223	S219-E221 PolarHBondContact O-N 3.34Å; S219-E221 PolarHBondContact OG-N 3.49Å; S219-I222 PolarHBondContact O-N 2.9Å; S219-M223 PolarHBondContact O-N 2.9Å
220	A	98.8	Very high	98.8	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-25.7	173.4	0	0	0	0	0	112.7	P209 T212 V218 I222 M223 H224	P209-A220 WeakPolarHBondContact O-CB 3.35Å; T212-A220 VanDerWaalsContact O-CB 3.3Å; T212-A220 WeakPolarHBondContact O-CB 3.34Å; T212-A220 VanDerWaalsContact OG1-CB 3.24Å; T212-A220 WeakPolarHBondContact OG1-CB 3.5Å; V218-A220 PolarHBondContact O-N 2.68Å; A220-I222 PolarHBondContact O-N 3.2Å; A220-M223 PolarHBondContact O-N 3.26Å; A220-H224 WeakPolarHBondContact O-CB 3.41Å; A220-H224 PolarHBondContact O-N 2.86Å
221	E	98.7	Very high	98.8	Very high	139 Å²	139	52.9 Å²	52.9	65%	0.65	29%	0.293	S	S	*	.	H	α-helix	trans	-60.4	-31	172.4	-62.8	-179.3	174.7	0	0	112.7	S219	S219-E221 PolarHBondContact O-N 3.34Å; S219-E221 PolarHBondContact OG-N 3.49Å
222	I	98.8	Very high	98.8	Very high	77 Å²	77	48.6 Å²	48.6	40%	0.395	27%	0.27	S	S	.	.	H	α-helix	trans	-86.7	-46.3	174.6	-58.7	-59.8	0	0	0	110.4	V218 S219 A220 H224	V218-I222 HydrophobicContact CG1-CB 3.97Å; V218-I222 HydrophobicContact CG1-CG2 4.02Å; S219-I222 PolarHBondContact O-N 2.9Å; A220-I222 PolarHBondContact O-N 3.2Å; I222-H224 VanDerWaalsContact C-N 3.25Å; I222-H224 PolarHBondContact O-N 3.44Å
223	M	98.9	Very high	98.8	Very high	21 Å²	21	51.3 Å²	51.3	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-68.7	-22.7	-176	-72.8	-59.5	-50.2	0	0	113.6	T176 L208 L214 V218 S219 A220 N225 A226 W227 L230	T176-M223 HydrophobicContact CG2-CE 3.65Å; L208-M223 HydrophobicContact CD2-CB 3.87Å; L214-M223 HydrophobicContact CD1-CB 3.37Å; L214-M223 HydrophobicContact CD1-CG 3.45Å; L214-M223 VanDerWaalsContact CD1-CG 3.45Å; V218-M223 HydrophobicContact CB-CG 3.87Å; V218-M223 HydrophobicContact CB-SD 4.22Å; V218-M223 HydrophobicContact CG1-CG 3.77Å; V218-M223 HydrophobicContact CG1-SD 4.11Å; S219-M223 PolarHBondContact O-N 2.9Å; A220-M223 PolarHBondContact O-N 3.26Å; M223-N225 PolarHBondContact O-N 3.1Å; M223-A226 HydrophobicContact CE-CB 4.14Å; M223-A226 PolarHBondContact O-N 3.23Å; M223-A226 HydrophobicContact SD-CB 4.47Å; M223-W227 HydrophobicContact CE-CE3 4.34Å; M223-W227 PolarHBondContact O-N 2.71Å; M223-L230 HydrophobicContact CE-CD2 4.24Å
224	H	98.8	Very high	98.8	Very high	52 Å²	52	45 Å²	45	24%	0.241	26%	0.257	C	S	.	.	H	α-helix	trans	-51.7	-51.9	178.7	175.5	89.4	0	0	0	112.1	E206 L208 A220 I222 A226 W227	E206-H224 PolarHBondContact O-CE1 2.64Å; L208-H224 PolarHBondContact O-ND1 2.78Å; A220-H224 WeakPolarHBondContact O-CB 3.41Å; A220-H224 PolarHBondContact O-N 2.86Å; I222-H224 VanDerWaalsContact C-N 3.25Å; I222-H224 PolarHBondContact O-N 3.44Å; H224-A226 VanDerWaalsContact C-N 3.31Å; H224-A226 PolarHBondContact O-N 2.87Å; H224-W227 WeakPolarHBondContact O-CB 3.48Å; H224-W227 PolarHBondContact O-N 3.03Å
225	N	98.8	Very high	98.8	Very high	100 Å²	100	44.2 Å²	44.2	54%	0.535	25%	0.253	S	S	.	.	H	α-helix	trans	-74.3	-20.3	179.6	-71.9	-39.3	0	0	0	113.2	M223 S256	M223-N225 PolarHBondContact O-N 3.1Å; N225-S256 WeakPolarHBondContact O-CB 3.48Å; N225-S256 PolarHBondContact O-OG 2.89Å; N225-S256 VanDerWaalsContact O-OG 3.12Å
226	A	98.9	Very high	98.8	Very high	41 Å²	41	40 Å²	40	34%	0.339	23%	0.232	S	C	.	.	H	α-helix	trans	-84.4	-17.9	178.1	0	0	0	0	0	112.9	M223 H224 L230	M223-A226 HydrophobicContact CE-CB 4.14Å; M223-A226 PolarHBondContact O-N 3.23Å; M223-A226 HydrophobicContact SD-CB 4.47Å; H224-A226 VanDerWaalsContact C-N 3.31Å; H224-A226 PolarHBondContact O-N 2.87Å; A226-L230 PolarHBondContact O-N 3.2Å
227	W	98.9	Very high	98.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.4	-43.1	-173.4	-154.2	-108.4	0	0	0	114.9	V172 V173 L175 T176 G205 L208 L214 M223 H224 A229 L230 W231	V172-W227 HydrophobicContact CG1-CZ2 4.14Å; V173-W227 WeakPolarHBondContact O-CZ2 3.47Å; L175-W227 HydrophobicContact CB-CH2 3.95Å; L175-W227 HydrophobicContact CB-CZ2 4.08Å; L175-W227 HydrophobicContact CB-CZ3 4.35Å; L175-W227 HydrophobicContact CD1-CZ2 4.1Å; L175-W227 HydrophobicContact CG-CH2 4.23Å; L175-W227 HydrophobicContact CG-CZ2 3.84Å; T176-W227 HydrophobicContact CG2-CZ3 3.85Å; G205-W227 WeakPolarHBondContact O-CB 3.43Å; L208-W227 HydrophobicContact CB-CB 4.33Å; L208-W227 HydrophobicContact CB-CD2 4.33Å; L208-W227 HydrophobicContact CB-CG 4.12Å; L208-W227 HydrophobicContact CD1-CD2 4.19Å; L208-W227 HydrophobicContact CD1-CE3 4.25Å; L208-W227 HydrophobicContact CD1-CH2 4.12Å; L208-W227 HydrophobicContact CD1-CZ2 4.08Å; L208-W227 HydrophobicContact CD1-CZ3 4.21Å; L208-W227 HydrophobicContact CD2-CD2 4Å; L208-W227 HydrophobicContact CD2-CE3 3.62Å; L208-W227 HydrophobicContact CD2-CG 4.41Å; L208-W227 HydrophobicContact CD2-CZ3 4.02Å; L208-W227 HydrophobicContact CG-CD2 4.4Å; L208-W227 HydrophobicContact CG-CE3 4.42Å; L214-W227 HydrophobicContact CD1-CZ3 4.47Å; L214-W227 HydrophobicContact CD2-CH2 4.12Å; L214-W227 HydrophobicContact CD2-CZ3 4.08Å; M223-W227 HydrophobicContact CE-CE3 4.34Å; M223-W227 PolarHBondContact O-N 2.71Å; H224-W227 WeakPolarHBondContact O-CB 3.48Å; H224-W227 PolarHBondContact O-N 3.03Å; W227-A229 PolarHBondContact O-N 2.96Å; W227-L230 HydrophobicContact CE3-CD2 4.35Å; W227-L230 HydrophobicContact CZ3-CD2 4.4Å; W227-L230 PolarHBondContact O-N 3.38Å; W227-W231 PolarHBondContact O-N 2.86Å
228	P	98.9	Very high	98.9	Very high	7 Å²	7	34.9 Å²	34.9	5%	0.045	19%	0.187	C	C	.	.	H	α-helix	trans	-59.5	-47.3	-178.2	-25	33.6	0	0	0	113.9	G205 L230 W231 A232 A254	G205-P228 WeakPolarHBondContact O-CD 3.18Å; G205-P228 WeakPolarHBondContact O-CG 3.38Å; P228-L230 VanDerWaalsContact C-N 3.33Å; P228-L230 PolarHBondContact O-N 3.17Å; P228-W231 PolarHBondContact O-N 3.3Å; P228-A232 WeakPolarHBondContact O-CB 3.4Å; P228-A232 PolarHBondContact O-N 3.46Å; P228-A254 HydrophobicContact CB-CB 3.97Å; P228-A254 HydrophobicContact CG-CB 4.16Å
229	A	98.9	Very high	98.9	Very high	10 Å²	10	32 Å²	32	8%	0.083	17%	0.17	C	C	.	.	H	α-helix	trans	-71.1	-28.3	179	0	0	0	0	0	112.8	W227 A232 K233 S256 T257	W227-A229 PolarHBondContact O-N 2.96Å; A229-A232 PolarHBondContact O-N 3.35Å; A229-K233 WeakPolarHBondContact O-CB 3.29Å; A229-K233 PolarHBondContact O-N 3.04Å; A229-S256 WeakPolarHBondContact CB-OG 3.44Å; A229-S256 PolarHBondContact N-OG 2.94Å; A229-S256 VanDerWaalsContact N-OG 3.08Å; A229-T257 WeakPolarHBondContact CB-O 3.46Å
230	L	98.9	Very high	98.9	Very high	40 Å²	40	34.2 Å²	34.2	21%	0.209	17%	0.173	C	C	.	.	H	α-helix	trans	-67.4	-40.7	172.4	-174.4	58.6	0	0	0	111.1	L175 T176 Y181 M223 A226 W227 P228 K233 C234	L175-L230 HydrophobicContact CB-CD2 3.53Å; L175-L230 HydrophobicContact CB-CG 3.75Å; L175-L230 HydrophobicContact CD1-CG 4.29Å; T176-L230 HydrophobicContact CG2-CD2 4.34Å; Y181-L230 HydrophobicContact CD2-CD1 4.35Å; Y181-L230 HydrophobicContact CE2-CD1 4.01Å; M223-L230 HydrophobicContact CE-CD2 4.24Å; A226-L230 PolarHBondContact O-N 3.2Å; W227-L230 HydrophobicContact CE3-CD2 4.35Å; W227-L230 HydrophobicContact CZ3-CD2 4.4Å; W227-L230 PolarHBondContact O-N 3.38Å; P228-L230 VanDerWaalsContact C-N 3.33Å; P228-L230 PolarHBondContact O-N 3.17Å; L230-K233 PolarHBondContact O-N 3.3Å; L230-C234 PolarHBondContact O-N 3.08Å
231	W	98.9	Very high	98.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.7	-44.1	172.3	176	-141	0	0	0	112.2	I132 P134 L175 F184 I188 A202 D203 W227 P228 K233 C234 N235 M252	I132-W231 HydrophobicContact CD1-CH2 4.07Å; I132-W231 HydrophobicContact CG1-CH2 3.98Å; I132-W231 HydrophobicContact CG1-CZ2 4.17Å; I132-W231 HydrophobicContact CG2-CH2 4.2Å; I132-W231 HydrophobicContact CG2-CZ2 4.03Å; P134-W231 HydrophobicContact CB-CD2 4.03Å; P134-W231 HydrophobicContact CB-CE3 4.29Å; P134-W231 HydrophobicContact CB-CG 4.25Å; P134-W231 HydrophobicContact CG-CD2 4.43Å; P134-W231 HydrophobicContact CG-CG 4.28Å; L175-W231 HydrophobicContact CD1-CB 3.89Å; L175-W231 HydrophobicContact CD1-CE3 4.38Å; F184-W231 HydrophobicContact CD1-CH2 4.17Å; F184-W231 AromaticContact CD1-CZ3 3.67Å; F184-W231 HydrophobicContact CD1-CZ3 3.67Å; F184-W231 AromaticContact CE1-CH2 3.74Å; F184-W231 HydrophobicContact CE1-CH2 3.74Å; F184-W231 AromaticContact CE1-CZ3 3.66Å; F184-W231 HydrophobicContact CE1-CZ3 3.66Å; I188-W231 HydrophobicContact CD1-CH2 3.94Å; I188-W231 HydrophobicContact CD1-CZ3 4.02Å; A202-W231 HydrophobicContact CB-CZ2 4.22Å; D203-W231 PolarHBondContact O-NE1 2.86Å; W227-W231 PolarHBondContact O-N 2.86Å; P228-W231 PolarHBondContact O-N 3.3Å; W231-K233 VanDerWaalsContact C-N 3.28Å; W231-K233 PolarHBondContact O-N 2.91Å; W231-C234 HydrophobicContact CE3-CB 3.85Å; W231-C234 HydrophobicContact CZ3-CB 4.01Å; W231-C234 WeakPolarHBondContact O-CB 3.21Å; W231-C234 PolarHBondContact O-N 2.88Å; W231-C234 VanDerWaalsContact O-N 3.13Å; W231-N235 VanDerWaalsContact CD2-ND2 3.31Å; W231-N235 VanDerWaalsContact CE2-ND2 3.26Å; W231-N235 VanDerWaalsContact CE3-ND2 3.32Å; W231-N235 WeakPolarHBondContact CH2-ND2 3.33Å; W231-N235 WeakPolarHBondContact CZ2-ND2 3.44Å; W231-N235 VanDerWaalsContact CZ3-ND2 3.26Å; W231-N235 WeakPolarHBondContact CZ3-ND2 3.41Å; W231-N235 PolarHBondContact O-N 2.85Å; W231-N235 PolarHBondContact O-ND2 2.63Å; W231-M252 HydrophobicContact CB-CE 4.4Å; W231-M252 HydrophobicContact CG-CE 3.96Å
232	A	98.9	Very high	98.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-56.5	-43.3	173.8	0	0	0	0	0	111.6	P228 A229 C234 N235 Y236 M252	P228-A232 WeakPolarHBondContact O-CB 3.4Å; P228-A232 PolarHBondContact O-N 3.46Å; A229-A232 PolarHBondContact O-N 3.35Å; A232-C234 VanDerWaalsContact C-N 3.32Å; A232-C234 PolarHBondContact O-N 2.91Å; A232-N235 PolarHBondContact O-N 3.44Å; A232-Y236 WeakPolarHBondContact O-CB 3.46Å; A232-Y236 PolarHBondContact O-N 3.15Å; A232-M252 VanDerWaalsContact CA-SD 3.58Å; A232-M252 HydrophobicContact CB-CE 4.22Å; A232-M252 HydrophobicContact CB-SD 3.44Å; A232-M252 WeakPolarHBondContact CB-SD 3.43Å
233	K	98.9	Very high	98.9	Very high	64 Å²	64	33.2 Å²	33.2	28%	0.278	18%	0.184	S	C	.	.	H	α-helix	trans	-61.1	-39.6	177.8	-165.4	177.5	-167.6	-106.1	0	112.2	Y181 A229 L230 W231 N235 Y236 E237 Y262	Y181-K233 WeakPolarHBondContact OH-CG 3.31Å; Y181-K233 PolarHBondContact OH-O 3.49Å; A229-K233 WeakPolarHBondContact O-CB 3.29Å; A229-K233 PolarHBondContact O-N 3.04Å; L230-K233 PolarHBondContact O-N 3.3Å; W231-K233 VanDerWaalsContact C-N 3.28Å; W231-K233 PolarHBondContact O-N 2.91Å; K233-N235 VanDerWaalsContact C-N 3.34Å; K233-N235 PolarHBondContact O-N 2.93Å; K233-Y236 PolarHBondContact O-N 3.45Å; K233-E237 VanDerWaalsContact CE-OE1 3.24Å; K233-E237 WeakPolarHBondContact CE-OE1 3.26Å; K233-E237 HydrophobicContact CG-CG 4.25Å; K233-E237 IonicContact NZ-OE1 2.81Å; K233-E237 PolarHBondContact NZ-OE1 3.06Å; K233-E237 WeakPolarHBondContact O-CB 3.49Å; K233-E237 WeakPolarHBondContact O-CG 3.12Å; K233-E237 PolarHBondContact O-N 2.71Å; K233-Y262 HydrophobicContact CB-CD1 4.15Å; K233-Y262 HydrophobicContact CB-CD2 3.96Å; K233-Y262 HydrophobicContact CB-CE1 4.41Å; K233-Y262 HydrophobicContact CB-CE2 4.24Å; K233-Y262 HydrophobicContact CB-CG 3.93Å; K233-Y262 HydrophobicContact CD-CE1 4.1Å; K233-Y262 HydrophobicContact CD-CE2 4.01Å; K233-Y262 VanDerWaalsContact CE-OH 3.32Å; K233-Y262 WeakPolarHBondContact CE-OH 3.33Å; K233-Y262 HydrophobicContact CG-CD1 3.86Å; K233-Y262 HydrophobicContact CG-CD2 4.24Å; K233-Y262 HydrophobicContact CG-CE1 3.71Å; K233-Y262 HydrophobicContact CG-CE2 4.11Å; K233-Y262 HydrophobicContact CG-CG 4.14Å
234	C	99	Very high	98.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-45.2	177.8	-172.3	0	0	0	0	111.6	Y181 L230 W231 A232 A238	Y181-C234 HydrophobicContact CD2-CB 4.35Å; Y181-C234 HydrophobicContact CE2-CB 3.66Å; Y181-C234 VanDerWaalsContact OH-CA 3.23Å; Y181-C234 WeakPolarHBondContact OH-CA 3.32Å; Y181-C234 PolarHBondContact OH-N 3.03Å; L230-C234 PolarHBondContact O-N 3.08Å; W231-C234 HydrophobicContact CE3-CB 3.85Å; W231-C234 HydrophobicContact CZ3-CB 4.01Å; W231-C234 WeakPolarHBondContact O-CB 3.21Å; W231-C234 PolarHBondContact O-N 2.88Å; W231-C234 VanDerWaalsContact O-N 3.13Å; A232-C234 VanDerWaalsContact C-N 3.32Å; A232-C234 PolarHBondContact O-N 2.91Å; C234-A238 PolarHBondContact O-N 3.49Å
235	N	99	Very high	98.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.9	-44.9	175.3	-70.3	-92.6	0	0	0	111.8	W200 W231 A232 K233 A238 L239 F250	W200-N235 PolarHBondContact NE1-OD1 3.48Å; W231-N235 VanDerWaalsContact CD2-ND2 3.31Å; W231-N235 VanDerWaalsContact CE2-ND2 3.26Å; W231-N235 VanDerWaalsContact CE3-ND2 3.32Å; W231-N235 WeakPolarHBondContact CH2-ND2 3.33Å; W231-N235 WeakPolarHBondContact CZ2-ND2 3.44Å; W231-N235 VanDerWaalsContact CZ3-ND2 3.26Å; W231-N235 WeakPolarHBondContact CZ3-ND2 3.41Å; W231-N235 PolarHBondContact O-N 2.85Å; W231-N235 PolarHBondContact O-ND2 2.63Å; A232-N235 PolarHBondContact O-N 3.44Å; K233-N235 VanDerWaalsContact C-N 3.34Å; K233-N235 PolarHBondContact O-N 2.93Å; N235-A238 WeakPolarHBondContact O-CB 3.43Å; N235-A238 PolarHBondContact O-N 2.89Å; N235-L239 WeakPolarHBondContact O-CD1 3.33Å; N235-L239 PolarHBondContact O-N 3.12Å; N235-F250 HydrophobicContact CB-CD1 3.9Å; N235-F250 HydrophobicContact CB-CD2 4.05Å; N235-F250 HydrophobicContact CB-CE1 3.61Å; N235-F250 HydrophobicContact CB-CE2 3.77Å; N235-F250 HydrophobicContact CB-CG 4.09Å; N235-F250 HydrophobicContact CB-CZ 3.5Å; N235-F250 VanDerWaalsContact CB-CZ 3.5Å
236	Y	98.9	Very high	98.9	Very high	29 Å²	29	32.6 Å²	32.6	11%	0.114	19%	0.188	C	C	.	.	H	α-helix	trans	-58.8	-49.6	178.1	-176.3	-86.6	0	0	0	112.3	P45 A232 K233 A238 L239 E240 L245 Y262	P45-Y236 HydrophobicContact CG-CE2 4.21Å; A232-Y236 WeakPolarHBondContact O-CB 3.46Å; A232-Y236 PolarHBondContact O-N 3.15Å; K233-Y236 PolarHBondContact O-N 3.45Å; Y236-A238 VanDerWaalsContact C-N 3.28Å; Y236-A238 PolarHBondContact O-N 2.65Å; Y236-L239 WeakPolarHBondContact O-CB 3.34Å; Y236-L239 PolarHBondContact O-N 3.31Å; Y236-L239 VanDerWaalsContact O-N 3.11Å; Y236-E240 HydrophobicContact CD1-CB 4.48Å; Y236-E240 HydrophobicContact CE1-CB 4.31Å; Y236-E240 PolarHBondContact O-N 3.27Å; Y236-L245 HydrophobicContact CD2-CD2 3.87Å; Y236-L245 HydrophobicContact CE1-CD1 4.06Å; Y236-L245 HydrophobicContact CE2-CD1 4.11Å; Y236-L245 HydrophobicContact CE2-CD2 3.59Å; Y236-L245 HydrophobicContact CG-CD2 4.5Å; Y236-L245 WeakPolarHBondContact OH-CD1 3.44Å; Y236-Y262 WeakPolarHBondContact CB-O 3.49Å; Y236-Y262 HydrophobicContact CD1-CD1 4.03Å; Y236-Y262 HydrophobicContact CD2-CD1 4.48Å; Y236-Y262 WeakPolarHBondContact CD2-O 3.27Å; Y236-Y262 AromaticContact CG-CD1 3.96Å; Y236-Y262 HydrophobicContact CG-CD1 3.96Å
237	E	98.9	Very high	98.8	Very high	30 Å²	30	35.6 Å²	35.6	14%	0.14	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-30.7	-179.2	-72.9	-175.7	-178	0	0	111.8	Y181 K185 K233 L239 E240 E241	Y181-E237 VanDerWaalsContact CE1-OE2 3.31Å; Y181-E237 WeakPolarHBondContact CE1-OE2 3.28Å; Y181-E237 PolarHBondContact OH-OE2 2.99Å; K185-E237 HydrophobicContact CD-CB 3.57Å; K185-E237 IonicContact NZ-OE2 3.78Å; K185-E237 PolarHBondContact NZ-OE2 2.66Å; K233-E237 VanDerWaalsContact CE-OE1 3.24Å; K233-E237 WeakPolarHBondContact CE-OE1 3.26Å; K233-E237 HydrophobicContact CG-CG 4.25Å; K233-E237 IonicContact NZ-OE1 2.81Å; K233-E237 PolarHBondContact NZ-OE1 3.06Å; K233-E237 WeakPolarHBondContact O-CB 3.49Å; K233-E237 WeakPolarHBondContact O-CG 3.12Å; K233-E237 PolarHBondContact O-N 2.71Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 2.94Å; E237-E240 PolarHBondContact O-N 3.35Å; E237-E241 VanDerWaalsContact O-CB 3.29Å; E237-E241 WeakPolarHBondContact O-CB 3.4Å; E237-E241 VanDerWaalsContact O-CG 3.25Å; E237-E241 WeakPolarHBondContact O-CG 3.35Å; E237-E241 PolarHBondContact O-N 2.88Å
238	A	98.9	Very high	98.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.2	-42	171.6	0	0	0	0	0	111.8	K185 I188 K189 I193 C234 N235 Y236 T242	K185-A238 HydrophobicContact CG-CB 4.01Å; I188-A238 HydrophobicContact CB-CB 4.06Å; I188-A238 HydrophobicContact CG2-CB 3.65Å; K189-A238 HydrophobicContact CG-CB 4.05Å; I193-A238 HydrophobicContact CD1-CB 4.13Å; C234-A238 PolarHBondContact O-N 3.49Å; N235-A238 WeakPolarHBondContact O-CB 3.43Å; N235-A238 PolarHBondContact O-N 2.89Å; Y236-A238 VanDerWaalsContact C-N 3.28Å; Y236-A238 PolarHBondContact O-N 2.65Å; A238-T242 WeakPolarHBondContact O-CG2 3.46Å; A238-T242 PolarHBondContact O-N 3.09Å; A238-T242 PolarHBondContact O-OG1 2.97Å
239	L	98.9	Very high	98.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-69.9	-44	174.5	-90.4	64	0	0	0	111.6	I193 W200 N235 Y236 E237 T242 G243 K244 L245 I248 F250	I193-L239 HydrophobicContact CD1-CD1 4.24Å; W200-L239 HydrophobicContact CH2-CD1 3.46Å; W200-L239 VanDerWaalsContact CH2-CD1 3.46Å; W200-L239 HydrophobicContact CZ2-CD1 3.69Å; N235-L239 WeakPolarHBondContact O-CD1 3.33Å; N235-L239 PolarHBondContact O-N 3.12Å; Y236-L239 WeakPolarHBondContact O-CB 3.34Å; Y236-L239 PolarHBondContact O-N 3.31Å; Y236-L239 VanDerWaalsContact O-N 3.11Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 2.94Å; L239-T242 PolarHBondContact O-N 3.03Å; L239-T242 PolarHBondContact O-OG1 3.4Å; L239-G243 PolarHBondContact O-N 3.24Å; L239-K244 HydrophobicContact CB-CB 4.38Å; L239-K244 HydrophobicContact CG-CB 4.14Å; L239-K244 PolarHBondContact O-N 2.94Å; L239-L245 HydrophobicContact CB-CD2 3.88Å; L239-L245 HydrophobicContact CB-CG 4.14Å; L239-L245 HydrophobicContact CD2-CD2 4.23Å; L239-I248 HydrophobicContact CD1-CB 4.42Å; L239-I248 HydrophobicContact CD1-CG2 3.94Å; L239-I248 HydrophobicContact CD2-CB 3.94Å; L239-I248 HydrophobicContact CD2-CG2 3.99Å; L239-I248 WeakPolarHBondContact CD2-O 3.34Å; L239-I248 HydrophobicContact CG-CB 4.05Å; L239-I248 HydrophobicContact CG-CG2 4.09Å; L239-F250 HydrophobicContact CD1-CD1 4.39Å; L239-F250 HydrophobicContact CD2-CD1 4.22Å
240	E	98.8	Very high	98.9	Very high	107 Å²	107	35.2 Å²	35.2	50%	0.5	19%	0.191	S	C	.	.	H	α-helix	trans	-59.6	-49.3	179.9	-173.3	174.6	-139	0	0	111.2	Y236 E237 T242 G243 L245	Y236-E240 HydrophobicContact CD1-CB 4.48Å; Y236-E240 HydrophobicContact CE1-CB 4.31Å; Y236-E240 PolarHBondContact O-N 3.27Å; E237-E240 PolarHBondContact O-N 3.35Å; E240-T242 PolarHBondContact O-N 3.36Å; E240-G243 PolarHBondContact O-N 2.98Å; E240-G243 VanDerWaalsContact O-N 3.11Å; E240-L245 HydrophobicContact CB-CD1 3.99Å; E240-L245 HydrophobicContact CG-CD1 4.22Å
241	E	98.9	Very high	98.9	Very high	98 Å²	98	33.3 Å²	33.3	46%	0.458	18%	0.181	S	C	.	.	H	α-helix	trans	-67.8	-19.4	-178.8	-71.8	176.4	-173.7	0	0	114	K185 K189 E237	K185-E241 VanDerWaalsContact CE-OE1 3.25Å; K185-E241 WeakPolarHBondContact CE-OE1 3.31Å; K185-E241 IonicContact NZ-OE1 3.57Å; K185-E241 PolarHBondContact NZ-OE1 3.08Å; K185-E241 IonicContact NZ-OE2 3.89Å; K189-E241 IonicContact NZ-OE2 2.7Å; K189-E241 PolarHBondContact NZ-OE2 3.08Å; E237-E241 VanDerWaalsContact O-CB 3.29Å; E237-E241 WeakPolarHBondContact O-CB 3.4Å; E237-E241 VanDerWaalsContact O-CG 3.25Å; E237-E241 WeakPolarHBondContact O-CG 3.35Å; E237-E241 PolarHBondContact O-N 2.88Å
242	T	98.9	Very high	98.9	Very high	47 Å²	47	33.3 Å²	33.3	29%	0.288	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	1	176.5	55.6	0	0	0	0	113	K189 I193 A238 L239 E240 K244	K189-T242 HydrophobicContact CD-CG2 4.49Å; K189-T242 HydrophobicContact CG-CG2 3.98Å; I193-T242 HydrophobicContact CD1-CG2 4.14Å; I193-T242 HydrophobicContact CG2-CG2 4.27Å; A238-T242 WeakPolarHBondContact O-CG2 3.46Å; A238-T242 PolarHBondContact O-N 3.09Å; A238-T242 PolarHBondContact O-OG1 2.97Å; L239-T242 PolarHBondContact O-N 3.03Å; L239-T242 PolarHBondContact O-OG1 3.4Å; E240-T242 PolarHBondContact O-N 3.36Å; T242-K244 VanDerWaalsContact C-N 3.32Å; T242-K244 WeakPolarHBondContact OG1-CG 3.24Å
243	G	98.7	Very high	98.8	Very high	52 Å²	52	36.1 Å²	36.1	54%	0.536	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	31.3	-177.7	0	0	0	0	0	113.4	L239 E240	L239-G243 PolarHBondContact O-N 3.24Å; E240-G243 PolarHBondContact O-N 2.98Å; E240-G243 VanDerWaalsContact O-N 3.11Å
244	K	98.9	Very high	98.8	Very high	69 Å²	69	33.4 Å²	33.4	30%	0.3	18%	0.181	S	C	.	.			trans	-107.6	3.4	-172.6	-66.5	-62.5	176.9	-177.1	0	115.6	I193 L239 T242 G246 E247 I248	I193-K244 HydrophobicContact CG2-CG 4.26Å; L239-K244 HydrophobicContact CB-CB 4.38Å; L239-K244 HydrophobicContact CG-CB 4.14Å; L239-K244 PolarHBondContact O-N 2.94Å; T242-K244 VanDerWaalsContact C-N 3.32Å; T242-K244 WeakPolarHBondContact OG1-CG 3.24Å; K244-G246 PolarHBondContact O-N 3.43Å; K244-E247 HydrophobicContact CD-CB 4.18Å; K244-E247 VanDerWaalsContact CD-OE2 3.31Å; K244-E247 WeakPolarHBondContact CD-OE2 3.4Å; K244-E247 IonicContact NZ-OE2 2.78Å; K244-E247 PolarHBondContact NZ-OE2 3.19Å; K244-E247 PolarHBondContact O-N 3.38Å; K244-I248 HydrophobicContact CB-CB 4.22Å; K244-I248 HydrophobicContact CB-CD1 3.77Å; K244-I248 HydrophobicContact CB-CG1 3.96Å; K244-I248 HydrophobicContact CD-CD1 4.13Å; K244-I248 HydrophobicContact CD-CG1 4.32Å; K244-I248 HydrophobicContact CG-CD1 3.77Å; K244-I248 HydrophobicContact CG-CG1 4.29Å; K244-I248 PolarHBondContact O-N 3.26Å
245	L	98.7	Very high	98.8	Very high	56 Å²	56	35.4 Å²	35.4	29%	0.293	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-59.8	126.2	168.7	-70.2	173.2	0	0	0	109.9	P45 Y236 L239 E240 E247	P45-L245 HydrophobicContact CG-CD2 4.32Å; Y236-L245 HydrophobicContact CD2-CD2 3.87Å; Y236-L245 HydrophobicContact CE1-CD1 4.06Å; Y236-L245 HydrophobicContact CE2-CD1 4.11Å; Y236-L245 HydrophobicContact CE2-CD2 3.59Å; Y236-L245 HydrophobicContact CG-CD2 4.5Å; Y236-L245 WeakPolarHBondContact OH-CD1 3.44Å; L239-L245 HydrophobicContact CB-CD2 3.88Å; L239-L245 HydrophobicContact CB-CG 4.14Å; L239-L245 HydrophobicContact CD2-CD2 4.23Å; E240-L245 HydrophobicContact CB-CD1 3.99Å; E240-L245 HydrophobicContact CG-CD1 4.22Å; L245-E247 VanDerWaalsContact C-N 3.32Å
246	G	98.2	Very high	98.8	Very high	35 Å²	35	36.7 Å²	36.7	36%	0.361	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-2.3	-174.3	0	0	0	0	0	114.8	P48 K244	P48-G246 VanDerWaalsContact CA-O 3.27Å; P48-G246 WeakPolarHBondContact CA-O 3.41Å; P48-G246 WeakPolarHBondContact CB-O 3.39Å; K244-G246 PolarHBondContact O-N 3.43Å
247	E	98.8	Very high	98.8	Very high	103 Å²	103	41 Å²	41	48%	0.481	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-42.8	174.3	-67.3	-178	-158.5	0	0	112.3	P48 W50 K244 L245	P48-E247 WeakPolarHBondContact CB-O 3.42Å; P48-E247 WeakPolarHBondContact CG-O 3.49Å; W50-E247 PolarHBondContact NE1-O 2.85Å; K244-E247 HydrophobicContact CD-CB 4.18Å; K244-E247 VanDerWaalsContact CD-OE2 3.31Å; K244-E247 WeakPolarHBondContact CD-OE2 3.4Å; K244-E247 IonicContact NZ-OE2 2.78Å; K244-E247 PolarHBondContact NZ-OE2 3.19Å; K244-E247 PolarHBondContact O-N 3.38Å; L245-E247 VanDerWaalsContact C-N 3.32Å
248	I	98.9	Very high	98.8	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.051	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-101.1	142.2	176.2	-67.5	179.9	0	0	0	109.5	I193 C197 G198 W200 L239 K244	I193-I248 HydrophobicContact CB-CD1 4.44Å; I193-I248 HydrophobicContact CG1-CD1 4.09Å; I193-I248 HydrophobicContact CG2-CD1 3.92Å; C197-I248 WeakPolarHBondContact O-CD1 3.13Å; G198-I248 VanDerWaalsContact O-CA 3.29Å; G198-I248 WeakPolarHBondContact O-CA 3.42Å; W200-I248 HydrophobicContact CE3-CG2 4.3Å; W200-I248 HydrophobicContact CH2-CG2 3.91Å; W200-I248 HydrophobicContact CZ3-CG2 3.65Å; L239-I248 HydrophobicContact CD1-CB 4.42Å; L239-I248 HydrophobicContact CD1-CG2 3.94Å; L239-I248 HydrophobicContact CD2-CB 3.94Å; L239-I248 HydrophobicContact CD2-CG2 3.99Å; L239-I248 WeakPolarHBondContact CD2-O 3.34Å; L239-I248 HydrophobicContact CG-CB 4.05Å; L239-I248 HydrophobicContact CG-CG2 4.09Å; K244-I248 HydrophobicContact CB-CB 4.22Å; K244-I248 HydrophobicContact CB-CD1 3.77Å; K244-I248 HydrophobicContact CB-CG1 3.96Å; K244-I248 HydrophobicContact CD-CD1 4.13Å; K244-I248 HydrophobicContact CD-CG1 4.32Å; K244-I248 HydrophobicContact CG-CD1 3.77Å; K244-I248 HydrophobicContact CG-CG1 4.29Å; K244-I248 PolarHBondContact O-N 3.26Å
249	L	98.9	Very high	98.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.5	175.3	-179.4	129	0	0	0	111.5	L47 P48 W50 I51 G198 G199 W200 F251 M265 M331	L47-L249 HydrophobicContact CD2-CD1 3.36Å; P48-L249 HydrophobicContact CG-CB 4.13Å; W50-L249 HydrophobicContact CH2-CB 4.27Å; W50-L249 HydrophobicContact CZ2-CB 4.02Å; I51-L249 HydrophobicContact CD1-CB 4.09Å; I51-L249 HydrophobicContact CD1-CD1 3.75Å; I51-L249 HydrophobicContact CD1-CD2 3.93Å; I51-L249 HydrophobicContact CD1-CG 4.13Å; I51-L249 HydrophobicContact CG1-CD1 4.05Å; G198-L249 PolarHBondContact O-N 3.35Å; G199-L249 CarbonylContact C-O 3.58Å; G199-L249 WeakPolarHBondContact CA-O 3.37Å; W200-L249 PolarHBondContact N-O 2.76Å; L249-F251 HydrophobicContact CD2-CD1 3.95Å; L249-M265 HydrophobicContact CD1-CB 4.18Å; L249-M265 HydrophobicContact CD1-CE 4.45Å; L249-M265 HydrophobicContact CD2-CB 4.33Å; L249-M265 HydrophobicContact CG-CB 4.37Å; L249-M331 HydrophobicContact CD2-CE 3.96Å; L249-M331 HydrophobicContact CD2-SD 3.92Å
250	F	99	Very high	98.8	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	156.7	162.8	74.7	-93.8	0	0	0	111.3	W200 A202 N235 L239 M252 Y262 T264 M265	W200-F250 HydrophobicContact CD2-CB 4.26Å; W200-F250 HydrophobicContact CG-CB 4.2Å; W200-F250 HydrophobicContact CZ2-CB 4.42Å; W200-F250 CarbonylContact O-C 3.51Å; W200-F250 WeakPolarHBondContact O-CA 3.08Å; W200-F250 WeakPolarHBondContact O-CB 3.44Å; A202-F250 HydrophobicContact CB-CB 4.47Å; A202-F250 HydrophobicContact CB-CD2 3.86Å; N235-F250 HydrophobicContact CB-CD1 3.9Å; N235-F250 HydrophobicContact CB-CD2 4.05Å; N235-F250 HydrophobicContact CB-CE1 3.61Å; N235-F250 HydrophobicContact CB-CE2 3.77Å; N235-F250 HydrophobicContact CB-CG 4.09Å; N235-F250 HydrophobicContact CB-CZ 3.5Å; N235-F250 VanDerWaalsContact CB-CZ 3.5Å; L239-F250 HydrophobicContact CD1-CD1 4.39Å; L239-F250 HydrophobicContact CD2-CD1 4.22Å; F250-M252 HydrophobicContact CD2-CG 3.91Å; F250-M252 HydrophobicContact CD2-SD 4.39Å; F250-M252 HydrophobicContact CE2-CG 3.81Å; F250-M252 HydrophobicContact CE2-SD 3.76Å; F250-Y262 WeakPolarHBondContact CZ-O 3.38Å; F250-T264 HydrophobicContact CD1-CG2 4.23Å; F250-T264 VanDerWaalsContact CD1-OG1 3.27Å; F250-T264 WeakPolarHBondContact CD1-OG1 3.46Å; F250-T264 HydrophobicContact CE1-CG2 3.91Å; F250-T264 WeakPolarHBondContact CG-OG1 3.42Å; F250-T264 PolarHBondContact N-OG1 3.18Å; F250-T264 VanDerWaalsContact N-OG1 3.15Å; F250-T264 PolarHBondContact O-OG1 2.89Å; F250-M265 PolarHBondContact O-N 3.45Å
251	F	98.9	Very high	98.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.8	179.9	52.3	-85.3	0	0	0	111.8	W84 L129 W200 M201 A202 L249 M265 W267 M331	W84-F251 HydrophobicContact CD2-CZ 4.38Å; W84-F251 HydrophobicContact CG-CZ 4.49Å; L129-F251 HydrophobicContact CD2-CE1 4.03Å; W200-F251 VanDerWaalsContact C-CE1 3.46Å; W200-F251 VanDerWaalsContact O-CD1 3.29Å; W200-F251 WeakPolarHBondContact O-CD1 3.25Å; W200-F251 WeakPolarHBondContact O-CE1 3.4Å; W200-F251 PolarHBondContact O-N 3.15Å; M201-F251 HydrophobicContact CB-CD2 4.09Å; M201-F251 HydrophobicContact CB-CE1 4.44Å; M201-F251 HydrophobicContact CB-CE2 3.4Å; M201-F251 HydrophobicContact CB-CZ 3.6Å; M201-F251 HydrophobicContact CE-CD2 4.46Å; M201-F251 HydrophobicContact CE-CE2 3.69Å; M201-F251 HydrophobicContact CG-CD2 4Å; M201-F251 HydrophobicContact CG-CE2 3.59Å; M201-F251 HydrophobicContact CG-CZ 4.31Å; M201-F251 HydrophobicContact SD-CE2 4.46Å; A202-F251 PolarHBondContact N-O 2.78Å; L249-F251 HydrophobicContact CD2-CD1 3.95Å; F251-M265 VanDerWaalsContact CA-O 3.26Å; F251-M265 WeakPolarHBondContact CA-O 3.25Å; F251-M265 HydrophobicContact CB-CB 3.87Å; F251-M265 HydrophobicContact CB-CG 3.78Å; F251-W267 HydrophobicContact CD2-CB 4.35Å; F251-M331 HydrophobicContact CD1-CE 4.44Å; F251-M331 HydrophobicContact CE1-CE 4.49Å
252	M	98.9	Very high	98.8	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-127.1	149.7	-174.2	-56.2	-168.8	71.7	0	0	111.6	A202 W231 A232 F250 M265 M266 W267	A202-M252 HydrophobicContact CB-CG 3.96Å; A202-M252 WeakPolarHBondContact O-CG 3.27Å; W231-M252 HydrophobicContact CB-CE 4.4Å; W231-M252 HydrophobicContact CG-CE 3.96Å; A232-M252 VanDerWaalsContact CA-SD 3.58Å; A232-M252 HydrophobicContact CB-CE 4.22Å; A232-M252 HydrophobicContact CB-SD 3.44Å; A232-M252 WeakPolarHBondContact CB-SD 3.43Å; F250-M252 HydrophobicContact CD2-CG 3.91Å; F250-M252 HydrophobicContact CD2-SD 4.39Å; F250-M252 HydrophobicContact CE2-CG 3.81Å; F250-M252 HydrophobicContact CE2-SD 3.76Å; M252-M265 PolarHBondContact N-O 2.98Å; M252-M266 HydrophobicContact CB-SD 4.34Å; M252-M266 CarbonylContact O-C 3.59Å; M252-M266 WeakPolarHBondContact O-CA 3.49Å; M252-W267 PolarHBondContact O-N 3.33Å
253	R	98.8	Very high	98.8	Very high	58 Å²	58	35.8 Å²	35.8	22%	0.219	21%	0.213	C	C	.	.	S	Bend	trans	-91	-46.7	162.7	53.6	176.1	178.3	107	7.9	113	D203 E206 M266 W267	D203-R253 IonicContact OD1-CZ 3.78Å; D203-R253 IonicContact OD1-NE 2.97Å; D203-R253 PolarHBondContact OD1-NE 3.19Å; D203-R253 IonicContact OD1-NH2 2.72Å; E206-R253 VanDerWaalsContact CD-NH2 3.3Å; E206-R253 IonicContact OE1-CZ 2.79Å; E206-R253 IonicContact OE1-NH1 2.65Å; E206-R253 PolarHBondContact OE1-NH1 3.05Å; E206-R253 IonicContact OE1-NH2 2.9Å; E206-R253 PolarHBondContact OE1-NH2 2.97Å; E206-R253 IonicContact OE2-CZ 3.4Å; E206-R253 IonicContact OE2-NH1 2.66Å; E206-R253 PolarHBondContact OE2-NH1 2.86Å; E206-R253 IonicContact OE2-NH2 3.12Å; E206-R253 PolarHBondContact OE2-NH2 3.33Å; R253-M266 VanDerWaalsContact O-CE 3.31Å; R253-M266 WeakPolarHBondContact O-CE 3.33Å; R253-W267 WeakPolarHBondContact CA-O 3.18Å; R253-W267 HydrophobicContact CB-CD2 4.33Å; R253-W267 HydrophobicContact CB-CE3 3.44Å; R253-W267 VanDerWaalsContact CB-CE3 3.44Å; R253-W267 HydrophobicContact CB-CH2 4.32Å; R253-W267 HydrophobicContact CB-CZ3 3.44Å; R253-W267 VanDerWaalsContact CB-CZ3 3.44Å; R253-W267 HydrophobicContact CG-CE3 3.93Å; R253-W267 HydrophobicContact CG-CH2 4.26Å; R253-W267 HydrophobicContact CG-CZ3 3.43Å; R253-W267 VanDerWaalsContact CG-CZ3 3.43Å
254	A	98.5	Very high	98.8	Very high	8 Å²	8	33.7 Å²	33.7	7%	0.066	19%	0.19	C	C	.	.			trans	-74.5	145.1	-177.5	0	0	0	0	0	109.8	F204 E206 P228	F204-A254 WeakPolarHBondContact O-CB 3.44Å; E206-A254 HydrophobicContact CB-CB 4.23Å; P228-A254 HydrophobicContact CB-CB 3.97Å; P228-A254 HydrophobicContact CG-CB 4.16Å
255	G	98.7	Very high	98.8	Very high	41 Å²	41	30.4 Å²	30.4	42%	0.423	18%	0.176	S	C	.	.			trans	-153.1	156.2	177.3	0	0	0	0	0	111.7	S259	G255-S259 WeakPolarHBondContact CA-OG 3.41Å
256	S	98.8	Very high	98.8	Very high	27 Å²	27	28 Å²	28	19%	0.189	16%	0.163	C	C	.	.			trans	-150.3	-177.6	170.2	63.8	0	0	0	0	109.9	N225 A229 G258 S259	N225-S256 WeakPolarHBondContact O-CB 3.48Å; N225-S256 PolarHBondContact O-OG 2.89Å; N225-S256 VanDerWaalsContact O-OG 3.12Å; A229-S256 WeakPolarHBondContact CB-OG 3.44Å; A229-S256 PolarHBondContact N-OG 2.94Å; A229-S256 VanDerWaalsContact N-OG 3.08Å; S256-G258 PolarHBondContact O-N 3.08Å; S256-G258 VanDerWaalsContact O-N 3.08Å; S256-S259 PolarHBondContact N-OG 3Å; S256-S259 VanDerWaalsContact N-OG 3.1Å; S256-S259 VanDerWaalsContact O-CB 3.29Å; S256-S259 WeakPolarHBondContact O-CB 3.39Å; S256-S259 PolarHBondContact O-N 3.41Å; S256-S259 PolarHBondContact O-OG 3.28Å
257	T	98.8	Very high	98.8	Very high	119 Å²	119	26.6 Å²	26.6	73%	0.73	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	117.9	-179.7	-57.4	0	0	0	0	111.2	L41 A229	L41-T257 HydrophobicContact CD2-CG2 4.13Å; A229-T257 WeakPolarHBondContact CB-O 3.46Å
258	G	98.7	Very high	98.8	Very high	13 Å²	13	22.6 Å²	22.6	13%	0.134	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.1	-17.1	-176.3	0	0	0	0	0	113.7	S256 Q260 K261 Y262	S256-G258 PolarHBondContact O-N 3.08Å; S256-G258 VanDerWaalsContact O-N 3.08Å; G258-Q260 PolarHBondContact O-N 2.89Å; G258-Q260 VanDerWaalsContact O-N 3.13Å; G258-K261 PolarHBondContact O-N 3.49Å; G258-Y262 WeakPolarHBondContact O-CD2 3.46Å; G258-Y262 PolarHBondContact O-N 3.15Å; G258-Y262 VanDerWaalsContact O-N 3.12Å
259	S	98.9	Very high	98.8	Very high	5 Å²	5	22.4 Å²	22.4	4%	0.035	13%	0.132	C	C	.	.	H	α-helix	trans	-57.5	-25.2	169.9	-67.9	0	0	0	0	112	G255 S256 K261 Y262 S263	G255-S259 WeakPolarHBondContact CA-OG 3.41Å; S256-S259 PolarHBondContact N-OG 3Å; S256-S259 VanDerWaalsContact N-OG 3.1Å; S256-S259 VanDerWaalsContact O-CB 3.29Å; S256-S259 WeakPolarHBondContact O-CB 3.39Å; S256-S259 PolarHBondContact O-N 3.41Å; S256-S259 PolarHBondContact O-OG 3.28Å; S259-K261 PolarHBondContact O-N 3.1Å; S259-Y262 PolarHBondContact O-N 3.13Å; S259-S263 WeakPolarHBondContact O-CB 3.4Å; S259-S263 PolarHBondContact O-N 2.99Å
260	Q	98.8	Very high	98.8	Very high	13 Å²	13	25.2 Å²	25.2	6%	0.061	15%	0.147	C	C	.	.	H	α-helix	trans	-57.7	-31.1	171.9	-63.6	80.1	-1.7	0	0	113	L41 G42 R43 Q44 G258 T294	L41-Q260 HydrophobicContact CB-CB 4.08Å; L41-Q260 HydrophobicContact CB-CG 4.02Å; L41-Q260 HydrophobicContact CD1-CG 4.24Å; G42-Q260 WeakPolarHBondContact O-CB 3.36Å; R43-Q260 CarbonylContact C-O 3.58Å; R43-Q260 VanDerWaalsContact C-O 3.23Å; Q44-Q260 PolarHBondContact N-O 2.94Å; Q44-Q260 PolarHBondContact NE2-O 3.4Å; G258-Q260 PolarHBondContact O-N 2.89Å; G258-Q260 VanDerWaalsContact O-N 3.13Å; Q260-T294 WeakPolarHBondContact CG-O 3.26Å; Q260-T294 PolarHBondContact NE2-O 2.92Å
261	K	98.9	Very high	98.8	Very high	90 Å²	90	25.8 Å²	25.8	39%	0.391	15%	0.15	S	C	.	.	H	α-helix	trans	-87.7	-47.4	172.3	-178.3	167.4	175.9	161.7	0	111.7	G258 S259	G258-K261 PolarHBondContact O-N 3.49Å; S259-K261 PolarHBondContact O-N 3.1Å
262	Y	98.9	Very high	98.8	Very high	52 Å²	52	27 Å²	27	20%	0.204	16%	0.156	C	C	.	.	H	α-helix	trans	-90.7	-33	-160.8	-59.8	-55.6	0	0	0	113.6	K233 Y236 F250 G258 S259	K233-Y262 HydrophobicContact CB-CD1 4.15Å; K233-Y262 HydrophobicContact CB-CD2 3.96Å; K233-Y262 HydrophobicContact CB-CE1 4.41Å; K233-Y262 HydrophobicContact CB-CE2 4.24Å; K233-Y262 HydrophobicContact CB-CG 3.93Å; K233-Y262 HydrophobicContact CD-CE1 4.1Å; K233-Y262 HydrophobicContact CD-CE2 4.01Å; K233-Y262 VanDerWaalsContact CE-OH 3.32Å; K233-Y262 WeakPolarHBondContact CE-OH 3.33Å; K233-Y262 HydrophobicContact CG-CD1 3.86Å; K233-Y262 HydrophobicContact CG-CD2 4.24Å; K233-Y262 HydrophobicContact CG-CE1 3.71Å; K233-Y262 HydrophobicContact CG-CE2 4.11Å; K233-Y262 HydrophobicContact CG-CG 4.14Å; Y236-Y262 WeakPolarHBondContact CB-O 3.49Å; Y236-Y262 HydrophobicContact CD1-CD1 4.03Å; Y236-Y262 HydrophobicContact CD2-CD1 4.48Å; Y236-Y262 WeakPolarHBondContact CD2-O 3.27Å; Y236-Y262 AromaticContact CG-CD1 3.96Å; Y236-Y262 HydrophobicContact CG-CD1 3.96Å; F250-Y262 WeakPolarHBondContact CZ-O 3.38Å; G258-Y262 WeakPolarHBondContact O-CD2 3.46Å; G258-Y262 PolarHBondContact O-N 3.15Å; G258-Y262 VanDerWaalsContact O-N 3.12Å; S259-Y262 PolarHBondContact O-N 3.13Å
263	S	98.9	Very high	98.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.			trans	-78.7	127.8	176.7	-170.8	0	0	0	0	110.4	S259 M265 M266 H296	S259-S263 WeakPolarHBondContact O-CB 3.4Å; S259-S263 PolarHBondContact O-N 2.99Å; S263-M265 PolarHBondContact OG-O 3.36Å; S263-M265 VanDerWaalsContact OG-O 3.08Å; S263-M266 PolarHBondContact OG-SD 2.85Å; S263-M266 VanDerWaalsContact OG-SD 3.39Å; S263-H296 PolarHBondContact O-NE2 3.27Å
264	T	98.9	Very high	98.7	Very high	9 Å²	9	26.3 Å²	26.3	6%	0.055	16%	0.157	C	C	.	.	S	Bend	trans	-79	-21.1	177.3	45.5	0	0	0	0	113.2	P45 F250 L298	P45-T264 HydrophobicContact CG-CG2 4.24Å; F250-T264 HydrophobicContact CD1-CG2 4.23Å; F250-T264 VanDerWaalsContact CD1-OG1 3.27Å; F250-T264 WeakPolarHBondContact CD1-OG1 3.46Å; F250-T264 HydrophobicContact CE1-CG2 3.91Å; F250-T264 WeakPolarHBondContact CG-OG1 3.42Å; F250-T264 PolarHBondContact N-OG1 3.18Å; F250-T264 VanDerWaalsContact N-OG1 3.15Å; F250-T264 PolarHBondContact O-OG1 2.89Å; T264-L298 WeakPolarHBondContact O-CD1 3.29Å
265	M	98.9	Very high	98.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.			trans	-161.2	139.8	179.7	172.3	63.5	75	0	0	109.9	L47 L249 F250 F251 M252 S263 L298 P330 M331	L47-M265 HydrophobicContact CD1-CE 4.01Å; L47-M265 HydrophobicContact CD2-CE 3.89Å; L249-M265 HydrophobicContact CD1-CB 4.18Å; L249-M265 HydrophobicContact CD1-CE 4.45Å; L249-M265 HydrophobicContact CD2-CB 4.33Å; L249-M265 HydrophobicContact CG-CB 4.37Å; F250-M265 PolarHBondContact O-N 3.45Å; F251-M265 VanDerWaalsContact CA-O 3.26Å; F251-M265 WeakPolarHBondContact CA-O 3.25Å; F251-M265 HydrophobicContact CB-CB 3.87Å; F251-M265 HydrophobicContact CB-CG 3.78Å; M252-M265 PolarHBondContact N-O 2.98Å; S263-M265 PolarHBondContact OG-O 3.36Å; S263-M265 VanDerWaalsContact OG-O 3.08Å; M265-L298 HydrophobicContact CE-CB 4.18Å; M265-L298 VanDerWaalsContact SD-C 3.57Å; M265-L298 HydrophobicContact SD-CB 3.98Å; M265-P330 HydrophobicContact CE-CG 4.4Å; M265-M331 HydrophobicContact CE-CB 3.97Å; M265-M331 HydrophobicContact CE-SD 4.21Å; M265-M331 HydrophobicContact CG-SD 4.29Å
266	M	98.9	Very high	98.8	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.025	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	147.7	167.9	-59.9	-56.1	-69.5	0	0	111.3	M252 R253 S263 L291 H296 L298 H299 H300	M252-M266 HydrophobicContact CB-SD 4.34Å; M252-M266 CarbonylContact O-C 3.59Å; M252-M266 WeakPolarHBondContact O-CA 3.49Å; R253-M266 VanDerWaalsContact O-CE 3.31Å; R253-M266 WeakPolarHBondContact O-CE 3.33Å; S263-M266 PolarHBondContact OG-SD 2.85Å; S263-M266 VanDerWaalsContact OG-SD 3.39Å; M266-L291 HydrophobicContact CB-CD1 4.1Å; M266-L291 HydrophobicContact CG-CD1 4.27Å; M266-H296 VanDerWaalsContact CG-CE1 3.44Å; M266-H296 WeakPolarHBondContact CG-CE1 3.32Å; M266-H296 WeakPolarHBondContact CG-ND1 3.29Å; M266-L298 PolarHBondContact N-O 3.36Å; M266-L298 VanDerWaalsContact N-O 3.08Å; M266-H299 CarbonylContact O-C 3.56Å; M266-H299 WeakPolarHBondContact O-CA 3.44Å; M266-H300 PolarHBondContact O-N 2.71Å; M266-H300 PolarHBondContact O-ND1 3.44Å; M266-H300 VanDerWaalsContact O-ND1 3.09Å
267	W	98.9	Very high	98.8	Very high	5 Å²	5	30.3 Å²	30.3	2%	0.019	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.7	169.3	150.6	71.9	0	0	0	109	M201 F251 M252 R253 G269 D270 H300 D302 R333	M201-W267 HydrophobicContact CE-CD2 4.37Å; M201-W267 HydrophobicContact CE-CE3 4.11Å; M201-W267 HydrophobicContact CE-CH2 4.08Å; M201-W267 HydrophobicContact CE-CZ2 4.3Å; M201-W267 HydrophobicContact CE-CZ3 3.94Å; M201-W267 HydrophobicContact SD-CZ3 4.21Å; F251-W267 HydrophobicContact CD2-CB 4.35Å; M252-W267 PolarHBondContact O-N 3.33Å; R253-W267 WeakPolarHBondContact CA-O 3.18Å; R253-W267 HydrophobicContact CB-CD2 4.33Å; R253-W267 HydrophobicContact CB-CE3 3.44Å; R253-W267 VanDerWaalsContact CB-CE3 3.44Å; R253-W267 HydrophobicContact CB-CH2 4.32Å; R253-W267 HydrophobicContact CB-CZ3 3.44Å; R253-W267 VanDerWaalsContact CB-CZ3 3.44Å; R253-W267 HydrophobicContact CG-CE3 3.93Å; R253-W267 HydrophobicContact CG-CH2 4.26Å; R253-W267 HydrophobicContact CG-CZ3 3.43Å; R253-W267 VanDerWaalsContact CG-CZ3 3.43Å; W267-G269 VanDerWaalsContact CE2-O 3.27Å; W267-G269 WeakPolarHBondContact CZ2-O 3.4Å; W267-G269 PolarHBondContact NE1-O 2.82Å; W267-G269 PolarHBondContact O-N 2.88Å; W267-D270 WeakPolarHBondContact CH2-OD1 3.33Å; W267-H300 CarbonylContact C-O 3.53Å; W267-H300 VanDerWaalsContact CA-O 3.31Å; W267-H300 WeakPolarHBondContact CA-O 3.44Å; W267-D302 VanDerWaalsContact CE2-OD2 3.28Å; W267-D302 WeakPolarHBondContact CZ2-OD2 3.17Å; W267-D302 PolarHBondContact NE1-OD1 2.67Å; W267-D302 PolarHBondContact NE1-OD2 3.16Å; W267-R333 VanDerWaalsContact CD1-NH2 3.27Å
268	A	98.8	Very high	98.8	Very high	20 Å²	20	31.8 Å²	31.8	17%	0.165	17%	0.169	C	C	.	.			trans	-67.8	-2.5	-171.9	0	0	0	0	0	116	Q271 V284 H300	A268-Q271 PolarHBondContact O-NE2 3.05Å; A268-V284 HydrophobicContact CB-CG1 4.04Å; A268-V284 HydrophobicContact CB-CG2 4.25Å; A268-H300 PolarHBondContact N-O 3.41Å
269	G	98.1	Very high	98.8	Very high	5 Å²	5	34.1 Å²	34.1	5%	0.052	18%	0.178	C	C	.	.			trans	79.1	-155.3	-177.7	0	0	0	0	0	113.5	W267 Q271	W267-G269 VanDerWaalsContact CE2-O 3.27Å; W267-G269 WeakPolarHBondContact CZ2-O 3.4Å; W267-G269 PolarHBondContact NE1-O 2.82Å; W267-G269 PolarHBondContact O-N 2.88Å; G269-Q271 PolarHBondContact O-N 3.47Å; G269-Q271 VanDerWaalsContact O-N 3.15Å; G269-Q271 PolarHBondContact O-OE1 3.33Å
270	D	98	Very high	98.8	Very high	60 Å²	60	33.9 Å²	33.9	32%	0.321	18%	0.176	S	C	.	.			trans	-91.9	63	-160.5	-64	-28.3	0	0	0	113.7	W267 Y306 T307	W267-D270 WeakPolarHBondContact CH2-OD1 3.33Å; D270-Y306 HydrophobicContact CB-CD1 3.73Å; D270-Y306 HydrophobicContact CB-CE1 4.28Å; D270-Y306 WeakPolarHBondContact OD1-CD1 3.24Å; D270-T307 PolarHBondContact O-OG1 2.78Å
271	Q	98.8	Very high	98.8	Very high	12 Å²	12	33.3 Å²	33.3	6%	0.056	17%	0.174	C	C	.	.			trans	-58.6	147.6	175.1	-79.3	72.1	67.8	0	0	112.2	A268 G269 D279 S283 V284 Y306 T307 W322	A268-Q271 PolarHBondContact O-NE2 3.05Å; G269-Q271 PolarHBondContact O-N 3.47Å; G269-Q271 VanDerWaalsContact O-N 3.15Å; G269-Q271 PolarHBondContact O-OE1 3.33Å; Q271-D279 CarbonylContact C-O 3.51Å; Q271-D279 VanDerWaalsContact CA-O 3.28Å; Q271-D279 WeakPolarHBondContact CA-O 3.34Å; Q271-D279 VanDerWaalsContact CB-O 3.26Å; Q271-D279 WeakPolarHBondContact CB-O 3.06Å; Q271-D279 WeakPolarHBondContact CG-O 3.48Å; Q271-S283 WeakPolarHBondContact CG-OG 3.42Å; Q271-V284 HydrophobicContact CG-CG2 3.99Å; Q271-Y306 PolarHBondContact O-N 3.33Å; Q271-T307 PolarHBondContact O-N 2.93Å; Q271-W322 HydrophobicContact CB-CH2 3.56Å; Q271-W322 HydrophobicContact CB-CZ2 4.07Å; Q271-W322 HydrophobicContact CG-CH2 4Å; Q271-W322 HydrophobicContact CG-CZ2 4.15Å
272	N	98.7	Very high	98.8	Very high	25 Å²	25	29 Å²	29	13%	0.134	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-62.5	151.2	167.6	-70.8	-30.5	0	0	0	111.5	D274 D279 T307 M312	N272-D274 HydrophobicContact CB-CB 4.39Å; N272-D274 PolarHBondContact O-N 2.86Å; N272-D279 VanDerWaalsContact CG-OD2 3.31Å; N272-D279 PolarHBondContact N-O 3.41Å; N272-D279 PolarHBondContact ND2-OD2 3.13Å; N272-T307 VanDerWaalsContact OD1-CB 3.31Å; N272-T307 WeakPolarHBondContact OD1-CB 3.39Å; N272-T307 WeakPolarHBondContact OD1-CG2 3.23Å; N272-M312 HydrophobicContact CB-CE 4.35Å; N272-M312 HydrophobicContact CB-SD 3.88Å; N272-M312 WeakPolarHBondContact OD1-CE 3.46Å
273	V	98.8	Very high	98.8	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.036	15%	0.151	C	C	.	.	S	Bend	trans	-79.3	49.9	170.9	-60.8	0	0	0	0	111.3	T307 T308 M312 R314 L318	V273-T307 WeakPolarHBondContact CG2-O 3.46Å; V273-T307 PolarHBondContact N-O 3.29Å; V273-T308 HydrophobicContact CG2-CG2 4.41Å; V273-M312 HydrophobicContact CG2-CB 3.86Å; V273-R314 HydrophobicContact CB-CB 3.82Å; V273-R314 HydrophobicContact CB-CG 4.37Å; V273-R314 HydrophobicContact CG1-CB 4.01Å; V273-R314 HydrophobicContact CG1-CG 4.49Å; V273-R314 HydrophobicContact CG2-CB 4.41Å; V273-L318 HydrophobicContact CB-CD2 4.39Å; V273-L318 VanDerWaalsContact O-CD2 3.29Å; V273-L318 WeakPolarHBondContact O-CD2 3.39Å
274	D	98.8	Very high	98.8	Very high	38 Å²	38	27.4 Å²	27.4	20%	0.203	15%	0.151	C	C	.	.	S	Bend	trans	-139.7	-172.4	-176.8	77.1	19.8	0	0	0	114	N272 S276 G280	N272-D274 HydrophobicContact CB-CB 4.39Å; N272-D274 PolarHBondContact O-N 2.86Å; D274-S276 VanDerWaalsContact OD1-CB 3.27Å; D274-S276 WeakPolarHBondContact OD1-CB 3.37Å; D274-S276 PolarHBondContact OD1-N 3.41Å; D274-S276 PolarHBondContact OD1-OG 2.93Å; D274-S276 PolarHBondContact OD2-OG 3.49Å; D274-G280 WeakPolarHBondContact OD1-CA 3.25Å
275	W	98.9	Very high	98.8	Very high	40 Å²	40	27 Å²	27	15%	0.152	15%	0.149	C	C	.	.			trans	-107.9	16.1	-177.8	-54.5	95.3	0	0	0	113.3	E317 L318 R321 E419	W275-E317 HydrophobicContact CH2-CG 3.89Å; W275-E317 HydrophobicContact CZ2-CB 4.2Å; W275-E317 HydrophobicContact CZ2-CG 3.72Å; W275-L318 HydrophobicContact CD2-CD1 3.89Å; W275-L318 HydrophobicContact CE3-CD1 3.91Å; W275-L318 HydrophobicContact CH2-CB 4.24Å; W275-L318 HydrophobicContact CH2-CD1 3.95Å; W275-L318 VanDerWaalsContact CZ2-CA 3.48Å; W275-L318 HydrophobicContact CZ2-CB 3.71Å; W275-L318 HydrophobicContact CZ2-CD1 3.93Å; W275-L318 HydrophobicContact CZ2-CG 4.43Å; W275-L318 HydrophobicContact CZ3-CD1 3.95Å; W275-R321 HydrophobicContact CH2-CB 3.83Å; W275-R321 HydrophobicContact CH2-CG 3.57Å; W275-R321 HydrophobicContact CZ3-CB 4Å; W275-R321 HydrophobicContact CZ3-CG 3.94Å; W275-E419 HydrophobicContact CD2-CB 3.97Å; W275-E419 HydrophobicContact CG-CB 3.95Å; W275-E419 HydrophobicContact CZ2-CB 4.3Å; W275-E419 HydrophobicContact CZ2-CG 4.26Å
276	S	98.8	Very high	98.8	Very high	39 Å²	39	28.8 Å²	28.8	27%	0.273	16%	0.16	S	C	.	.			trans	-67.3	148.9	-177.2	66.1	0	0	0	0	111.6	D274 D279 G280	D274-S276 VanDerWaalsContact OD1-CB 3.27Å; D274-S276 WeakPolarHBondContact OD1-CB 3.37Å; D274-S276 PolarHBondContact OD1-N 3.41Å; D274-S276 PolarHBondContact OD1-OG 2.93Å; D274-S276 PolarHBondContact OD2-OG 3.49Å; S276-D279 PolarHBondContact OG-N 2.86Å; S276-G280 VanDerWaalsContact O-CA 3.24Å; S276-G280 WeakPolarHBondContact O-CA 3.45Å; S276-G280 PolarHBondContact O-N 2.97Å; S276-G280 PolarHBondContact OG-N 3.47Å
277	L	98.8	Very high	98.8	Very high	80 Å²	80	30 Å²	30	42%	0.419	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-38.4	179.2	-67.8	179.5	0	0	0	112.3	A282 Y403	L277-A282 HydrophobicContact CD2-CB 4.02Å; L277-Y403 HydrophobicContact CD2-CE2 4.3Å
278	D	98.7	Very high	98.8	Very high	151 Å²	151	29.9 Å²	29.9	81%	0.807	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-23.5	-170.8	-58.6	-71.3	0	0	0	113.3	S283	D278-S283 WeakPolarHBondContact O-CB 3.24Å
279	D	98.6	Very high	98.8	Very high	62 Å²	62	29.8 Å²	29.8	33%	0.332	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-146.1	-0.3	-173	-155.7	12.5	0	0	0	114.6	Q271 N272 S276	Q271-D279 CarbonylContact C-O 3.51Å; Q271-D279 VanDerWaalsContact CA-O 3.28Å; Q271-D279 WeakPolarHBondContact CA-O 3.34Å; Q271-D279 VanDerWaalsContact CB-O 3.26Å; Q271-D279 WeakPolarHBondContact CB-O 3.06Å; Q271-D279 WeakPolarHBondContact CG-O 3.48Å; N272-D279 VanDerWaalsContact CG-OD2 3.31Å; N272-D279 PolarHBondContact N-O 3.41Å; N272-D279 PolarHBondContact ND2-OD2 3.13Å; S276-D279 PolarHBondContact OG-N 2.86Å
280	G	98.8	Very high	98.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-92.7	-159.6	176	0	0	0	0	0	112.2	D274 S276 A282 S283	D274-G280 WeakPolarHBondContact OD1-CA 3.25Å; S276-G280 VanDerWaalsContact O-CA 3.24Å; S276-G280 WeakPolarHBondContact O-CA 3.45Å; S276-G280 PolarHBondContact O-N 2.97Å; S276-G280 PolarHBondContact OG-N 3.47Å; G280-A282 PolarHBondContact O-N 3.41Å; G280-A282 VanDerWaalsContact O-N 3.13Å; G280-S283 WeakPolarHBondContact O-CB 3.42Å; G280-S283 PolarHBondContact O-N 3.18Å; G280-S283 VanDerWaalsContact O-N 3.14Å; G280-S283 PolarHBondContact O-OG 3.19Å
281	L	98.9	Very high	98.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-50.3	-40.7	178.7	-174.2	155.9	0	0	0	112.8	S283 V284 L318 R321 W322 F325 P415 H417	L281-S283 VanDerWaalsContact C-N 3.27Å; L281-S283 PolarHBondContact O-N 2.69Å; L281-V284 WeakPolarHBondContact O-CG2 3.41Å; L281-V284 PolarHBondContact O-N 2.96Å; L281-L318 HydrophobicContact CB-CD1 4.42Å; L281-L318 HydrophobicContact CD1-CD1 4.43Å; L281-R321 HydrophobicContact CD1-CB 4.21Å; L281-W322 HydrophobicContact CB-CD2 4.3Å; L281-W322 HydrophobicContact CB-CE3 4Å; L281-W322 HydrophobicContact CB-CH2 4.31Å; L281-W322 HydrophobicContact CB-CZ3 4.01Å; L281-W322 HydrophobicContact CD1-CB 4.03Å; L281-W322 HydrophobicContact CD1-CD2 4.01Å; L281-W322 HydrophobicContact CD1-CE3 4.11Å; L281-W322 HydrophobicContact CD1-CG 3.99Å; L281-W322 HydrophobicContact CG-CD2 4.09Å; L281-W322 HydrophobicContact CG-CE3 4.25Å; L281-W322 HydrophobicContact CG-CG 4.4Å; L281-F325 HydrophobicContact CD2-CD1 4.3Å; L281-F325 HydrophobicContact CG-CD1 4.37Å; L281-P415 HydrophobicContact CD2-CB 4.14Å; L281-H417 HydrophobicContact CD2-CB 3.73Å
282	A	98.9	Very high	98.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-61.8	-34.3	-175.1	0	0	0	0	0	113	L277 G280 V284 V285 P286 Y403 H417	L277-A282 HydrophobicContact CD2-CB 4.02Å; G280-A282 PolarHBondContact O-N 3.41Å; G280-A282 VanDerWaalsContact O-N 3.13Å; A282-V284 PolarHBondContact O-N 3.28Å; A282-V285 PolarHBondContact O-N 3.48Å; A282-P286 WeakPolarHBondContact O-CD 3.46Å; A282-Y403 HydrophobicContact CB-CD1 4.21Å; A282-Y403 HydrophobicContact CB-CE1 4.22Å; A282-H417 HydrophobicContact CB-CB 3.72Å
283	S	98.9	Very high	98.8	Very high	16 Å²	16	33.2 Å²	33.2	11%	0.112	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-63.7	-22.3	-175.4	71.2	0	0	0	0	113.2	Q271 D278 G280 L281 V285 P286 A287	Q271-S283 WeakPolarHBondContact CG-OG 3.42Å; D278-S283 WeakPolarHBondContact O-CB 3.24Å; G280-S283 WeakPolarHBondContact O-CB 3.42Å; G280-S283 PolarHBondContact O-N 3.18Å; G280-S283 VanDerWaalsContact O-N 3.14Å; G280-S283 PolarHBondContact O-OG 3.19Å; L281-S283 VanDerWaalsContact C-N 3.27Å; L281-S283 PolarHBondContact O-N 2.69Å; S283-V285 VanDerWaalsContact C-N 3.34Å; S283-V285 PolarHBondContact O-N 3.41Å; S283-P286 VanDerWaalsContact O-CD 3.27Å; S283-P286 WeakPolarHBondContact O-CD 3.47Å; S283-P286 VanDerWaalsContact O-CG 3.3Å; S283-P286 WeakPolarHBondContact O-CG 3.38Å; S283-A287 PolarHBondContact O-N 3.19Å
284	V	98.9	Very high	98.9	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-67.4	-33.7	-179.1	-176.5	0	0	0	0	112.2	A268 Q271 L281 A282 A287 A288 W322 F325	A268-V284 HydrophobicContact CB-CG1 4.04Å; A268-V284 HydrophobicContact CB-CG2 4.25Å; Q271-V284 HydrophobicContact CG-CG2 3.99Å; L281-V284 WeakPolarHBondContact O-CG2 3.41Å; L281-V284 PolarHBondContact O-N 2.96Å; A282-V284 PolarHBondContact O-N 3.28Å; V284-A287 PolarHBondContact O-N 3.16Å; V284-A288 PolarHBondContact O-N 3.33Å; V284-W322 HydrophobicContact CG2-CZ2 3.87Å; V284-F325 HydrophobicContact CB-CE1 3.79Å; V284-F325 HydrophobicContact CB-CZ 4.16Å; V284-F325 HydrophobicContact CG1-CE1 3.59Å; V284-F325 HydrophobicContact CG1-CZ 3.72Å; V284-F325 HydrophobicContact CG2-CE1 4.39Å
285	V	98.9	Very high	98.9	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-67.3	-53.5	-178.8	-173.4	0	0	0	0	111.9	A282 S283 A287 A288 L289 F325 K402 Y405 P415	A282-V285 PolarHBondContact O-N 3.48Å; S283-V285 VanDerWaalsContact C-N 3.34Å; S283-V285 PolarHBondContact O-N 3.41Å; V285-A287 PolarHBondContact O-N 2.87Å; V285-A288 PolarHBondContact O-N 3.21Å; V285-A288 VanDerWaalsContact O-N 3.15Å; V285-L289 HydrophobicContact CG1-CD1 4.13Å; V285-L289 HydrophobicContact CG1-CG 4.27Å; V285-L289 WeakPolarHBondContact O-CG 3.29Å; V285-L289 PolarHBondContact O-N 2.78Å; V285-F325 HydrophobicContact CG2-CZ 4.31Å; V285-K402 VanDerWaalsContact CG1-O 3.28Å; V285-K402 WeakPolarHBondContact CG1-O 3.04Å; V285-Y405 HydrophobicContact CG1-CD1 4.01Å; V285-P415 HydrophobicContact CG2-CG 4.25Å
286	P	98.9	Very high	98.9	Very high	37 Å²	37	32.9 Å²	32.9	24%	0.24	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-30.5	174.9	23.9	-31.8	0	0	0	112.5	A282 S283 L289 S290 Y403	A282-P286 WeakPolarHBondContact O-CD 3.46Å; S283-P286 VanDerWaalsContact O-CD 3.27Å; S283-P286 WeakPolarHBondContact O-CD 3.47Å; S283-P286 VanDerWaalsContact O-CG 3.3Å; S283-P286 WeakPolarHBondContact O-CG 3.38Å; P286-L289 PolarHBondContact O-N 2.99Å; P286-S290 VanDerWaalsContact O-CB 3.27Å; P286-S290 WeakPolarHBondContact O-CB 3.37Å; P286-S290 PolarHBondContact O-N 2.89Å; P286-S290 PolarHBondContact O-OG 3.21Å; P286-Y403 HydrophobicContact CG-CE1 4.23Å
287	A	98.9	Very high	98.9	Very high	30 Å²	30	31.3 Å²	31.3	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-48.1	171.8	0	0	0	0	0	112	S283 V284 V285 L289 S290 L291	S283-A287 PolarHBondContact O-N 3.19Å; V284-A287 PolarHBondContact O-N 3.16Å; V285-A287 PolarHBondContact O-N 2.87Å; A287-L289 PolarHBondContact O-N 2.95Å; A287-S290 PolarHBondContact O-OG 3.02Å; A287-L291 WeakPolarHBondContact O-CB 3.3Å; A287-L291 PolarHBondContact O-N 2.74Å; A287-L291 VanDerWaalsContact O-N 3.14Å
288	A	98.9	Very high	98.9	Very high	3 Å²	3	27.5 Å²	27.5	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-45.4	176.5	0	0	0	0	0	112.2	V284 V285 A292 H299 M385	V284-A288 PolarHBondContact O-N 3.33Å; V285-A288 PolarHBondContact O-N 3.21Å; V285-A288 VanDerWaalsContact O-N 3.15Å; A288-A292 VanDerWaalsContact O-CB 3.27Å; A288-A292 WeakPolarHBondContact O-CB 3.38Å; A288-A292 PolarHBondContact O-N 2.9Å; A288-H299 HydrophobicContact CB-CB 4.35Å; A288-H299 WeakPolarHBondContact CB-ND1 3.49Å; A288-M385 HydrophobicContact CB-CE 3.53Å; A288-M385 HydrophobicContact CB-SD 3.92Å
289	L	98.9	Very high	98.9	Very high	18 Å²	18	20.6 Å²	20.6	9%	0.094	13%	0.126	C	C	.	.	H	α-helix	trans	-71.1	-37.4	-176.1	-64.1	-171.6	0	0	0	112.8	V285 P286 A287 A292 M293 P387	V285-L289 HydrophobicContact CG1-CD1 4.13Å; V285-L289 HydrophobicContact CG1-CG 4.27Å; V285-L289 WeakPolarHBondContact O-CG 3.29Å; V285-L289 PolarHBondContact O-N 2.78Å; P286-L289 PolarHBondContact O-N 2.99Å; A287-L289 PolarHBondContact O-N 2.95Å; L289-A292 WeakPolarHBondContact O-CB 3.31Å; L289-A292 PolarHBondContact O-N 2.92Å; L289-M293 WeakPolarHBondContact O-CG 3.4Å; L289-M293 PolarHBondContact O-N 2.83Å; L289-P387 HydrophobicContact CB-CG 4.37Å; L289-P387 HydrophobicContact CD2-CG 4.05Å
290	S	98.9	Very high	98.9	Very high	65 Å²	65	17.7 Å²	17.7	46%	0.455	11%	0.11	S	C	.	.	H	α-helix	trans	-67.6	-41.7	175.5	56.3	0	0	0	0	111.9	P286 A287 M293 T294	P286-S290 VanDerWaalsContact O-CB 3.27Å; P286-S290 WeakPolarHBondContact O-CB 3.37Å; P286-S290 PolarHBondContact O-N 2.89Å; P286-S290 PolarHBondContact O-OG 3.21Å; A287-S290 PolarHBondContact O-OG 3.02Å; S290-M293 PolarHBondContact O-N 3.41Å; S290-T294 PolarHBondContact O-N 2.83Å; S290-T294 VanDerWaalsContact O-N 3.1Å; S290-T294 PolarHBondContact O-OG1 3.1Å
291	L	98.9	Very high	98.9	Very high	49 Å²	49	17.7 Å²	17.7	26%	0.257	11%	0.11	S	C	.	.	H	α-helix	trans	-63.7	-40.7	172.8	-79.8	171.9	0	0	0	112.5	M266 A287 M293 T294 G295 H296	M266-L291 HydrophobicContact CB-CD1 4.1Å; M266-L291 HydrophobicContact CG-CD1 4.27Å; A287-L291 WeakPolarHBondContact O-CB 3.3Å; A287-L291 PolarHBondContact O-N 2.74Å; A287-L291 VanDerWaalsContact O-N 3.14Å; L291-M293 VanDerWaalsContact C-N 3.3Å; L291-M293 PolarHBondContact O-N 2.8Å; L291-T294 CarbonylContact O-C 3.56Å; L291-T294 VanDerWaalsContact O-C 3.29Å; L291-T294 WeakPolarHBondContact O-CA 3.35Å; L291-T294 PolarHBondContact O-N 2.96Å; L291-G295 PolarHBondContact O-N 2.83Å; L291-G295 VanDerWaalsContact O-N 3.14Å; L291-H296 CarbonylContact C-O 3.6Å; L291-H296 VanDerWaalsContact C-O 3.29Å; L291-H296 PolarHBondContact O-N 2.93Å
292	A	98.9	Very high	98.9	Very high	2 Å²	2	17.7 Å²	17.7	2%	0.017	11%	0.11	C	C	.	.	H	α-helix	trans	-55.6	-46	173.8	0	0	0	0	0	111.3	A288 L289 T294 G295 H296 P383	A288-A292 VanDerWaalsContact O-CB 3.27Å; A288-A292 WeakPolarHBondContact O-CB 3.38Å; A288-A292 PolarHBondContact O-N 2.9Å; L289-A292 WeakPolarHBondContact O-CB 3.31Å; L289-A292 PolarHBondContact O-N 2.92Å; A292-T294 PolarHBondContact O-N 3.4Å; A292-G295 PolarHBondContact O-N 3.37Å; A292-G295 VanDerWaalsContact O-N 3.15Å; A292-H296 PolarHBondContact N-O 3.48Å; A292-P383 HydrophobicContact CB-CB 3.64Å; A292-P383 HydrophobicContact CB-CG 3.68Å
293	M	98.9	Very high	98.9	Very high	58 Å²	58	17.7 Å²	17.7	29%	0.286	11%	0.11	S	C	.	.	H	α-helix	trans	-72.4	-10.1	175.9	-63.5	-50.4	-64.6	0	0	114.2	Y30 L34 L37 L289 S290 L291 P387 F389 L390	Y30-M293 HydrophobicContact CD1-CE 4.4Å; L34-M293 HydrophobicContact CD1-SD 4.33Å; L34-M293 HydrophobicContact CD2-CE 4.25Å; L34-M293 HydrophobicContact CD2-SD 4.32Å; L37-M293 WeakPolarHBondContact CD2-O 3.49Å; L289-M293 WeakPolarHBondContact O-CG 3.4Å; L289-M293 PolarHBondContact O-N 2.83Å; S290-M293 PolarHBondContact O-N 3.41Å; L291-M293 VanDerWaalsContact C-N 3.3Å; L291-M293 PolarHBondContact O-N 2.8Å; M293-P387 HydrophobicContact CG-CG 4.02Å; M293-P387 HydrophobicContact SD-CG 3.82Å; M293-F389 HydrophobicContact CE-CE2 3.87Å; M293-F389 HydrophobicContact CE-CZ 3.91Å; M293-F389 HydrophobicContact CG-CZ 4.3Å; M293-F389 HydrophobicContact SD-CE2 4.05Å; M293-F389 HydrophobicContact SD-CZ 3.82Å; M293-L390 HydrophobicContact SD-CD2 4.19Å
294	T	98.9	Very high	98.9	Very high	71 Å²	71	16.9 Å²	16.9	44%	0.436	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	15.1	173.5	-40.5	0	0	0	0	111.8	Q260 S290 L291 A292	Q260-T294 WeakPolarHBondContact CG-O 3.26Å; Q260-T294 PolarHBondContact NE2-O 2.92Å; S290-T294 PolarHBondContact O-N 2.83Å; S290-T294 VanDerWaalsContact O-N 3.1Å; S290-T294 PolarHBondContact O-OG1 3.1Å; L291-T294 CarbonylContact O-C 3.56Å; L291-T294 VanDerWaalsContact O-C 3.29Å; L291-T294 WeakPolarHBondContact O-CA 3.35Å; L291-T294 PolarHBondContact O-N 2.96Å; A292-T294 PolarHBondContact O-N 3.4Å
295	G	98.8	Very high	98.9	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.01	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	14.1	172.4	0	0	0	0	0	115.9	Q44 L291 A292	Q44-G295 PolarHBondContact NE2-O 3.22Å; L291-G295 PolarHBondContact O-N 2.83Å; L291-G295 VanDerWaalsContact O-N 3.14Å; A292-G295 PolarHBondContact O-N 3.37Å; A292-G295 VanDerWaalsContact O-N 3.15Å
296	H	98.9	Very high	98.8	Very high	5 Å²	5	19.1 Å²	19.1	2%	0.023	11%	0.113	C	C	.	.			trans	-112.4	106.7	170.6	-158.3	-58.8	0	0	0	110.6	S263 M266 L291 A292 L298	S263-H296 PolarHBondContact O-NE2 3.27Å; M266-H296 VanDerWaalsContact CG-CE1 3.44Å; M266-H296 WeakPolarHBondContact CG-CE1 3.32Å; M266-H296 WeakPolarHBondContact CG-ND1 3.29Å; L291-H296 CarbonylContact C-O 3.6Å; L291-H296 VanDerWaalsContact C-O 3.29Å; L291-H296 PolarHBondContact O-N 2.93Å; A292-H296 PolarHBondContact N-O 3.48Å; H296-L298 PolarHBondContact CE1-O 2.89Å; H296-L298 PolarHBondContact ND1-O 2.95Å
297	G	98.9	Very high	98.7	Very high	5 Å²	5	18.6 Å²	18.6	5%	0.052	11%	0.109	C	C	.	.			trans	-101.8	2.8	-169.8	0	0	0	0	0	116.5	N377 P383 V384	G297-N377 VanDerWaalsContact CA-OD1 3.28Å; G297-N377 WeakPolarHBondContact CA-OD1 3.34Å; G297-P383 VanDerWaalsContact CA-CB 3.49Å; G297-V384 WeakPolarHBondContact O-CB 3.42Å; G297-V384 PolarHBondContact O-N 3.06Å; G297-V384 VanDerWaalsContact O-N 3.08Å
298	L	99	Very high	98.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.098	C	C	.	.			trans	-110.1	114.7	177.9	-54.4	174.9	0	0	0	109.8	Q44 L47 T264 M265 M266 H296 V374 V384	Q44-L298 HydrophobicContact CB-CD1 3.66Å; Q44-L298 HydrophobicContact CB-CG 4.43Å; Q44-L298 HydrophobicContact CG-CD1 4.15Å; L47-L298 HydrophobicContact CD1-CD2 4.35Å; L47-L298 HydrophobicContact CD2-CD1 3.87Å; L47-L298 HydrophobicContact CG-CD1 4.3Å; L47-L298 HydrophobicContact CG-CD2 4.43Å; T264-L298 WeakPolarHBondContact O-CD1 3.29Å; M265-L298 HydrophobicContact CE-CB 4.18Å; M265-L298 VanDerWaalsContact SD-C 3.57Å; M265-L298 HydrophobicContact SD-CB 3.98Å; M266-L298 PolarHBondContact N-O 3.36Å; M266-L298 VanDerWaalsContact N-O 3.08Å; H296-L298 PolarHBondContact CE1-O 2.89Å; H296-L298 PolarHBondContact ND1-O 2.95Å; L298-V374 HydrophobicContact CD2-CG1 4.3Å; L298-V374 HydrophobicContact CD2-CG2 3.89Å; L298-V384 HydrophobicContact CD2-CG2 3.8Å
299	H	99	Very high	98.4	Very high	7 Å²	7	18.6 Å²	18.6	3%	0.032	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	143	-172.2	-172.3	-95.1	0	0	0	112.3	M266 A288 P330	M266-H299 CarbonylContact O-C 3.56Å; M266-H299 WeakPolarHBondContact O-CA 3.44Å; A288-H299 HydrophobicContact CB-CB 4.35Å; A288-H299 WeakPolarHBondContact CB-ND1 3.49Å; H299-P330 VanDerWaalsContact O-CD 3.29Å; H299-P330 WeakPolarHBondContact O-CD 3.34Å; H299-P330 WeakPolarHBondContact O-CG 3.5Å
300	H	98.9	Very high	98.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	179.8	169.9	76.3	-68.7	0	0	0	111.5	M266 W267 A268 M331 R333	M266-H300 PolarHBondContact O-N 2.71Å; M266-H300 PolarHBondContact O-ND1 3.44Å; M266-H300 VanDerWaalsContact O-ND1 3.09Å; W267-H300 CarbonylContact C-O 3.53Å; W267-H300 VanDerWaalsContact CA-O 3.31Å; W267-H300 WeakPolarHBondContact CA-O 3.44Å; A268-H300 PolarHBondContact N-O 3.41Å; H300-M331 HydrophobicContact CB-CB 4.06Å; H300-R333 PolarHBondContact NE2-NE 3.15Å; H300-R333 PolarHBondContact NE2-NH2 3.47Å
301	S	98.9	Very high	98.1	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	15%	0.15	C	C	.	.			trans	-136.3	166.8	174.6	54.5	0	0	0	0	110.6	I303 W322	S301-I303 PolarHBondContact O-N 3.4Å; S301-W322 PolarHBondContact OG-NE1 2.85Å
302	D	98.9	Very high	98.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	121.2	170.1	-63	-54.5	0	0	0	109.8	W267 G304 G305 W322 R333 H335	W267-D302 VanDerWaalsContact CE2-OD2 3.28Å; W267-D302 WeakPolarHBondContact CZ2-OD2 3.17Å; W267-D302 PolarHBondContact NE1-OD1 2.67Å; W267-D302 PolarHBondContact NE1-OD2 3.16Å; D302-G304 PolarHBondContact O-N 2.97Å; D302-G305 PolarHBondContact O-N 2.95Å; D302-W322 PolarHBondContact O-NE1 2.75Å; D302-W322 VanDerWaalsContact O-NE1 3.11Å; D302-R333 IonicContact OD1-CZ 2.81Å; D302-R333 IonicContact OD1-NH1 3.46Å; D302-R333 PolarHBondContact OD1-NH1 3.42Å; D302-R333 IonicContact OD1-NH2 4Å; D302-R333 PolarHBondContact OD1-NH2 3.18Å; D302-H335 HydrophobicContact CB-CB 3.84Å; D302-H335 WeakPolarHBondContact OD1-CB 3.45Å; D302-H335 IonicContact OD1-CD2 3.92Å; D302-H335 IonicContact OD1-CG 3.68Å
303	I	99	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	105.6	173.2	-66.8	165.7	0	0	0	108.9	V55 S301 L319 W322 C323 S326 M332 R333 T334 F356	V55-I303 HydrophobicContact CG2-CD1 4.18Å; S301-I303 PolarHBondContact O-N 3.4Å; I303-L319 HydrophobicContact CG2-CD1 3.92Å; I303-L319 WeakPolarHBondContact O-CD1 3.4Å; I303-W322 HydrophobicContact CG2-CB 4.38Å; I303-C323 HydrophobicContact CG2-CB 3.96Å; I303-S326 WeakPolarHBondContact CG1-OG 3.31Å; I303-M332 HydrophobicContact CD1-CB 4.01Å; I303-M332 HydrophobicContact CD1-CE 3.91Å; I303-R333 WeakPolarHBondContact CG1-O 3.39Å; I303-R333 PolarHBondContact N-O 3.46Å; I303-T334 HydrophobicContact CB-CG2 4.12Å; I303-T334 HydrophobicContact CD1-CG2 4.29Å; I303-T334 HydrophobicContact CG2-CG2 4.38Å; I303-F356 HydrophobicContact CD1-CE1 4.49Å; I303-F356 HydrophobicContact CG2-CE1 4.17Å; I303-F356 HydrophobicContact CG2-CZ 3.79Å
304	G	98.8	Very high	98.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.3	1.3	-178.8	0	0	0	0	0	115.5	D302 R314 W322	D302-G304 PolarHBondContact O-N 2.97Å; G304-R314 VanDerWaalsContact C-NE 3.33Å; G304-R314 WeakPolarHBondContact O-CD 3.41Å; G304-R314 PolarHBondContact O-NE 3.28Å; G304-W322 VanDerWaalsContact C-CZ3 3.46Å; G304-W322 VanDerWaalsContact CA-CE3 3.46Å; G304-W322 VanDerWaalsContact N-CB 3.34Å; G304-W322 VanDerWaalsContact N-CD2 3.33Å
305	G	98.7	Very high	98.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.146	C	C	.	.			trans	75.8	-168.7	-175	0	0	0	0	0	112.5	D302 R314 W322	D302-G305 PolarHBondContact O-N 2.95Å; G305-R314 PolarHBondContact O-NH2 2.84Å; G305-W322 VanDerWaalsContact N-CE3 3.34Å
306	Y	97.9	Very high	98.1	Very high	49 Å²	49	32.5 Å²	32.5	19%	0.192	15%	0.154	C	C	.	.	S	Bend	trans	-136.3	-56.8	-173	171.1	-98.9	0	0	0	113.2	D270 Q271 T308 H335 G337 N338	D270-Y306 HydrophobicContact CB-CD1 3.73Å; D270-Y306 HydrophobicContact CB-CE1 4.28Å; D270-Y306 WeakPolarHBondContact OD1-CD1 3.24Å; Q271-Y306 PolarHBondContact O-N 3.33Å; Y306-T308 PolarHBondContact O-N 3.25Å; Y306-T308 PolarHBondContact O-OG1 3.02Å; Y306-H335 AromaticContact CD2-CD2 3.59Å; Y306-H335 AromaticContact CD2-CE1 3.67Å; Y306-H335 AromaticContact CD2-CG 3.99Å; Y306-H335 AromaticContact CD2-NE2 3.39Å; Y306-H335 WeakPolarHBondContact CD2-NE2 3.29Å; Y306-H335 AromaticContact CE2-CE1 3.57Å; Y306-H335 AromaticContact CE2-NE2 3.38Å; Y306-H335 WeakPolarHBondContact CE2-NE2 3.31Å; Y306-G337 WeakPolarHBondContact O-CA 3.5Å; Y306-N338 HydrophobicContact CE1-CB 4.3Å; Y306-N338 HydrophobicContact CE2-CB 4.28Å; Y306-N338 PolarHBondContact O-OD1 3.01Å
307	T	96.6	Very high	98.1	Very high	26 Å²	26	34.6 Å²	34.6	16%	0.16	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-68.9	113.4	-166.6	-60	0	0	0	0	111.1	D270 Q271 N272 V273 L309 M312	D270-T307 PolarHBondContact O-OG1 2.78Å; Q271-T307 PolarHBondContact O-N 2.93Å; N272-T307 VanDerWaalsContact OD1-CB 3.31Å; N272-T307 WeakPolarHBondContact OD1-CB 3.39Å; N272-T307 WeakPolarHBondContact OD1-CG2 3.23Å; V273-T307 WeakPolarHBondContact CG2-O 3.46Å; V273-T307 PolarHBondContact N-O 3.29Å; T307-L309 HydrophobicContact CG2-CD1 4.12Å; T307-L309 HydrophobicContact CG2-CG 4.31Å; T307-M312 HydrophobicContact CG2-CE 4.45Å
308	T	96.3	Very high	98.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	16%	0.162	C	C	.	.			trans	-121.5	87.3	-174.8	-48	0	0	0	0	108.6	V273 Y306 M312 N338 R339 D342 N343	V273-T308 HydrophobicContact CG2-CG2 4.41Å; Y306-T308 PolarHBondContact O-N 3.25Å; Y306-T308 PolarHBondContact O-OG1 3.02Å; T308-M312 VanDerWaalsContact CG2-O 3.24Å; T308-M312 WeakPolarHBondContact CG2-O 3.38Å; T308-N338 WeakPolarHBondContact CA-OD1 3.42Å; T308-N338 VanDerWaalsContact CB-OD1 3.26Å; T308-N338 WeakPolarHBondContact CB-OD1 3.37Å; T308-N338 PolarHBondContact N-OD1 2.93Å; T308-N338 PolarHBondContact O-ND2 3.28Å; T308-N338 VanDerWaalsContact O-ND2 3.1Å; T308-N338 PolarHBondContact OG1-OD1 2.78Å; T308-R339 HydrophobicContact CG2-CB 3.99Å; T308-R339 WeakPolarHBondContact O-CD 3.4Å; T308-D342 HydrophobicContact CG2-CB 4.09Å; T308-N343 WeakPolarHBondContact CG2-OD1 3.49Å; T308-N343 PolarHBondContact OG1-ND2 3.14Å
309	L	93.7	Very high	98.1	Very high	32 Å²	32	34.5 Å²	34.5	17%	0.168	16%	0.163	C	C	.	.			trans	-143	165.2	-176.9	-66.8	176.2	0	0	0	110.6	F96 T307 E311 M312	F96-L309 HydrophobicContact CD2-CD2 4.36Å; F96-L309 HydrophobicContact CE2-CD1 4Å; F96-L309 HydrophobicContact CE2-CD2 3.4Å; F96-L309 VanDerWaalsContact CE2-CD2 3.4Å; F96-L309 HydrophobicContact CE2-CG 4.26Å; F96-L309 HydrophobicContact CZ-CD1 4.1Å; F96-L309 HydrophobicContact CZ-CD2 3.67Å; F96-L309 HydrophobicContact CZ-CG 4.25Å; T307-L309 HydrophobicContact CG2-CD1 4.12Å; T307-L309 HydrophobicContact CG2-CG 4.31Å; L309-E311 VanDerWaalsContact C-N 3.31Å; L309-E311 PolarHBondContact O-N 3.29Å; L309-M312 HydrophobicContact CB-CE 4.4Å; L309-M312 WeakPolarHBondContact O-CB 3.26Å; L309-M312 WeakPolarHBondContact O-CE 3.21Å; L309-M312 WeakPolarHBondContact O-CG 3.23Å; L309-M312 PolarHBondContact O-N 2.65Å
310	F	95.8	Very high	98.1	Very high	182 Å²	182	34.3 Å²	34.3	80%	0.798	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	48.6	171.8	-48.8	-65.6	0	0	0	113.9	M312	F310-M312 PolarHBondContact O-N 3.06Å
311	E	97.1	Very high	98.1	Very high	150 Å²	150	34.7 Å²	34.7	70%	0.701	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.3	-2.5	-176.2	-56.8	-52.7	127.3	0	0	117.3	L309 K313	L309-E311 VanDerWaalsContact C-N 3.31Å; L309-E311 PolarHBondContact O-N 3.29Å; E311-K313 PolarHBondContact O-N 3.29Å; E311-K313 IonicContact OE2-NZ 2.66Å; E311-K313 PolarHBondContact OE2-NZ 3.47Å
312	M	98.5	Very high	98.1	Very high	45 Å²	45	34.7 Å²	34.7	22%	0.222	16%	0.163	C	C	.	.			trans	-61.8	130.7	169.7	-62.7	-175.4	-70.6	0	0	110.2	N272 V273 T307 T308 L309 F310	N272-M312 HydrophobicContact CB-CE 4.35Å; N272-M312 HydrophobicContact CB-SD 3.88Å; N272-M312 WeakPolarHBondContact OD1-CE 3.46Å; V273-M312 HydrophobicContact CG2-CB 3.86Å; T307-M312 HydrophobicContact CG2-CE 4.45Å; T308-M312 VanDerWaalsContact CG2-O 3.24Å; T308-M312 WeakPolarHBondContact CG2-O 3.38Å; L309-M312 HydrophobicContact CB-CE 4.4Å; L309-M312 WeakPolarHBondContact O-CB 3.26Å; L309-M312 WeakPolarHBondContact O-CE 3.21Å; L309-M312 WeakPolarHBondContact O-CG 3.23Å; L309-M312 PolarHBondContact O-N 2.65Å; F310-M312 PolarHBondContact O-N 3.06Å
313	K	98.7	Very high	98.1	Very high	92 Å²	92	34.7 Å²	34.7	40%	0.4	16%	0.163	S	C	.	.			trans	-142.3	130.3	179	-65.4	-171.9	-177.1	67	0	108.8	E311 S315 D342	E311-K313 PolarHBondContact O-N 3.29Å; E311-K313 IonicContact OE2-NZ 2.66Å; E311-K313 PolarHBondContact OE2-NZ 3.47Å; K313-S315 PolarHBondContact O-N 3.29Å; K313-D342 WeakPolarHBondContact CB-O 3.48Å; K313-D342 HydrophobicContact CD-CB 4.25Å; K313-D342 HydrophobicContact CG-CB 4.17Å
314	R	98.9	Very high	98.1	Very high	6 Å²	6	34.8 Å²	34.8	2%	0.023	16%	0.163	C	C	.	.			trans	-64.8	117.5	179.4	-167.2	-171.7	-61.7	150.7	-6.2	110.2	V273 G304 G305 L318 H335 N343 W344	V273-R314 HydrophobicContact CB-CB 3.82Å; V273-R314 HydrophobicContact CB-CG 4.37Å; V273-R314 HydrophobicContact CG1-CB 4.01Å; V273-R314 HydrophobicContact CG1-CG 4.49Å; V273-R314 HydrophobicContact CG2-CB 4.41Å; G304-R314 VanDerWaalsContact C-NE 3.33Å; G304-R314 WeakPolarHBondContact O-CD 3.41Å; G304-R314 PolarHBondContact O-NE 3.28Å; G305-R314 PolarHBondContact O-NH2 2.84Å; R314-L318 HydrophobicContact CG-CD2 4.25Å; R314-H335 PolarHBondContact NH1-O 2.86Å; R314-H335 PolarHBondContact NH2-O 2.86Å; R314-N343 HydrophobicContact CB-CB 3.81Å; R314-N343 WeakPolarHBondContact CB-OD1 3.37Å; R314-N343 PolarHBondContact N-OD1 3.29Å; R314-W344 WeakPolarHBondContact CD-O 3.37Å; R314-W344 PolarHBondContact NH1-O 2.92Å; R314-W344 WeakPolarHBondContact O-CB 3.38Å; R314-W344 PolarHBondContact O-N 2.78Å
315	S	98.9	Very high	98.1	Very high	40 Å²	40	34.9 Å²	34.9	28%	0.28	16%	0.164	S	C	.	.			trans	-77.3	160.5	173.1	75.1	0	0	0	0	111.4	K313 E317 L318 L319	K313-S315 PolarHBondContact O-N 3.29Å; S315-E317 VanDerWaalsContact C-N 3.29Å; S315-E317 PolarHBondContact O-N 3.2Å; S315-L318 PolarHBondContact O-N 3.4Å; S315-L318 WeakPolarHBondContact OG-CB 3.38Å; S315-L318 PolarHBondContact OG-N 3.34Å; S315-L319 PolarHBondContact O-N 2.87Å; S315-L319 VanDerWaalsContact O-N 3.15Å
316	K	98.9	Very high	98.1	Very high	41 Å²	41	34.9 Å²	34.9	18%	0.178	16%	0.164	C	C	.	.	H	α-helix	trans	-55.3	-48	168.9	178.1	175.4	-178.4	166.7	0	110.6	L318 L319 L320 W344 D349 E351 T352	K316-L318 VanDerWaalsContact C-N 3.35Å; K316-L318 PolarHBondContact O-N 3.13Å; K316-L319 PolarHBondContact O-N 2.91Å; K316-L320 HydrophobicContact CG-CD1 4.16Å; K316-L320 HydrophobicContact CG-CG 4.2Å; K316-L320 VanDerWaalsContact O-CG 3.31Å; K316-L320 WeakPolarHBondContact O-CG 3.49Å; K316-L320 PolarHBondContact O-N 3Å; K316-W344 HydrophobicContact CB-CD2 3.89Å; K316-W344 HydrophobicContact CB-CE3 4.47Å; K316-W344 HydrophobicContact CB-CG 3.97Å; K316-W344 HydrophobicContact CB-CZ2 4.46Å; K316-W344 HydrophobicContact CD-CZ2 3.91Å; K316-W344 HydrophobicContact CG-CD2 4.48Å; K316-W344 HydrophobicContact CG-CZ2 4.35Å; K316-D349 IonicContact NZ-OD1 2.71Å; K316-D349 PolarHBondContact NZ-OD1 3.35Å; K316-D349 IonicContact NZ-OD2 3.64Å; K316-D349 PolarHBondContact NZ-OD2 3.06Å; K316-E351 VanDerWaalsContact NZ-CD 3.3Å; K316-E351 IonicContact NZ-OE2 2.93Å; K316-E351 PolarHBondContact NZ-OE2 2.72Å; K316-T352 WeakPolarHBondContact CE-OG1 3.28Å
317	E	99	Very high	98.2	Very high	50 Å²	50	32.6 Å²	32.6	23%	0.234	16%	0.155	C	C	.	.	H	α-helix	trans	-54.8	-48.5	-179.8	-177.4	178.1	177.7	0	0	112.1	W275 S315 L319 L320 R321 G420 I453	W275-E317 HydrophobicContact CH2-CG 3.89Å; W275-E317 HydrophobicContact CZ2-CB 4.2Å; W275-E317 HydrophobicContact CZ2-CG 3.72Å; S315-E317 VanDerWaalsContact C-N 3.29Å; S315-E317 PolarHBondContact O-N 3.2Å; E317-L319 PolarHBondContact O-N 2.87Å; E317-L320 PolarHBondContact O-N 2.95Å; E317-R321 WeakPolarHBondContact O-CG 3.39Å; E317-R321 PolarHBondContact O-N 3.45Å; E317-G420 PolarHBondContact OE1-N 2.73Å; E317-I453 HydrophobicContact CG-CD1 4.07Å
318	L	99	Very high	98.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-45	179.2	-178.7	62.8	0	0	0	111.3	V273 W275 L281 R314 S315 K316 L320 R321 W322	V273-L318 HydrophobicContact CB-CD2 4.39Å; V273-L318 VanDerWaalsContact O-CD2 3.29Å; V273-L318 WeakPolarHBondContact O-CD2 3.39Å; W275-L318 HydrophobicContact CD2-CD1 3.89Å; W275-L318 HydrophobicContact CE3-CD1 3.91Å; W275-L318 HydrophobicContact CH2-CB 4.24Å; W275-L318 HydrophobicContact CH2-CD1 3.95Å; W275-L318 VanDerWaalsContact CZ2-CA 3.48Å; W275-L318 HydrophobicContact CZ2-CB 3.71Å; W275-L318 HydrophobicContact CZ2-CD1 3.93Å; W275-L318 HydrophobicContact CZ2-CG 4.43Å; W275-L318 HydrophobicContact CZ3-CD1 3.95Å; L281-L318 HydrophobicContact CB-CD1 4.42Å; L281-L318 HydrophobicContact CD1-CD1 4.43Å; R314-L318 HydrophobicContact CG-CD2 4.25Å; S315-L318 PolarHBondContact O-N 3.4Å; S315-L318 WeakPolarHBondContact OG-CB 3.38Å; S315-L318 PolarHBondContact OG-N 3.34Å; K316-L318 VanDerWaalsContact C-N 3.35Å; K316-L318 PolarHBondContact O-N 3.13Å; L318-L320 VanDerWaalsContact C-N 3.32Å; L318-L320 PolarHBondContact O-N 3.27Å; L318-R321 PolarHBondContact O-N 3.45Å; L318-W322 HydrophobicContact CD1-CE3 3.89Å; L318-W322 HydrophobicContact CD1-CZ3 4.19Å; L318-W322 HydrophobicContact CD2-CZ3 4.47Å; L318-W322 HydrophobicContact CG-CE3 4.09Å; L318-W322 HydrophobicContact CG-CZ3 4.44Å; L318-W322 WeakPolarHBondContact O-CB 3.39Å; L318-W322 PolarHBondContact O-N 3.02Å
319	L	99	Very high	98.4	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-59	-44.3	177.2	-175.8	70.7	0	0	0	111.6	I303 S315 K316 E317 W322 C323 T352 F356	I303-L319 HydrophobicContact CG2-CD1 3.92Å; I303-L319 WeakPolarHBondContact O-CD1 3.4Å; S315-L319 PolarHBondContact O-N 2.87Å; S315-L319 VanDerWaalsContact O-N 3.15Å; K316-L319 PolarHBondContact O-N 2.91Å; E317-L319 PolarHBondContact O-N 2.87Å; L319-W322 PolarHBondContact O-N 3.2Å; L319-C323 WeakPolarHBondContact O-CB 3.44Å; L319-C323 PolarHBondContact O-N 3.22Å; L319-T352 HydrophobicContact CD2-CG2 3.98Å; L319-F356 HydrophobicContact CD1-CZ 4.26Å; L319-F356 HydrophobicContact CD2-CE2 3.9Å; L319-F356 HydrophobicContact CD2-CZ 4.32Å; L319-F356 HydrophobicContact CG-CE2 4.04Å; L319-F356 HydrophobicContact CG-CZ 4.22Å
320	L	98.9	Very high	98.7	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-70.1	-39.6	-178.1	-58.1	-165.9	0	0	0	112	K316 E317 L318 W322 C323 D324 T352 H355 I453	K316-L320 HydrophobicContact CG-CD1 4.16Å; K316-L320 HydrophobicContact CG-CG 4.2Å; K316-L320 VanDerWaalsContact O-CG 3.31Å; K316-L320 WeakPolarHBondContact O-CG 3.49Å; K316-L320 PolarHBondContact O-N 3Å; E317-L320 PolarHBondContact O-N 2.95Å; L318-L320 VanDerWaalsContact C-N 3.32Å; L318-L320 PolarHBondContact O-N 3.27Å; L320-W322 VanDerWaalsContact C-N 3.34Å; L320-C323 WeakPolarHBondContact O-CB 3.46Å; L320-C323 PolarHBondContact O-N 2.7Å; L320-D324 PolarHBondContact O-N 3.46Å; L320-T352 HydrophobicContact CD2-CG2 3.95Å; L320-H355 HydrophobicContact CD1-CB 4.3Å; L320-H355 HydrophobicContact CD2-CB 3.85Å; L320-H355 PolarHBondContact O-NE2 2.89Å; L320-I453 HydrophobicContact CB-CD1 4.32Å; L320-I453 HydrophobicContact CB-CG2 3.61Å; L320-I453 HydrophobicContact CD1-CD1 4.47Å; L320-I453 HydrophobicContact CD1-CG2 3.84Å; L320-I453 HydrophobicContact CG-CG2 4.38Å
321	R	98.9	Very high	98.8	Very high	8 Å²	8	21.1 Å²	21.1	3%	0.03	10%	0.101	C	C	.	.	H	α-helix	trans	-64.1	-37.9	173.5	-73.7	-56.5	-166.9	178.3	3.2	112.7	W275 L281 E317 L318 C323 D324 F325 R421 A451 I453	W275-R321 HydrophobicContact CH2-CB 3.83Å; W275-R321 HydrophobicContact CH2-CG 3.57Å; W275-R321 HydrophobicContact CZ3-CB 4Å; W275-R321 HydrophobicContact CZ3-CG 3.94Å; L281-R321 HydrophobicContact CD1-CB 4.21Å; E317-R321 WeakPolarHBondContact O-CG 3.39Å; E317-R321 PolarHBondContact O-N 3.45Å; L318-R321 PolarHBondContact O-N 3.45Å; R321-C323 VanDerWaalsContact C-N 3.34Å; R321-D324 WeakPolarHBondContact O-CB 3.32Å; R321-D324 PolarHBondContact O-N 2.84Å; R321-F325 PolarHBondContact O-N 2.74Å; R321-R421 PolarHBondContact NH2-O 3.49Å; R321-A451 PolarHBondContact NH1-O 2.93Å; R321-A451 PolarHBondContact NH2-O 2.85Å; R321-I453 HydrophobicContact CG-CG1 4.42Å
322	W	98.9	Very high	98.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-70.5	-33.8	175.7	-142.1	-49.4	0	0	0	112.5	Q271 L281 V284 S301 D302 I303 G304 G305 L318 L319 L320 F325 S326	Q271-W322 HydrophobicContact CB-CH2 3.56Å; Q271-W322 HydrophobicContact CB-CZ2 4.07Å; Q271-W322 HydrophobicContact CG-CH2 4Å; Q271-W322 HydrophobicContact CG-CZ2 4.15Å; L281-W322 HydrophobicContact CB-CD2 4.3Å; L281-W322 HydrophobicContact CB-CE3 4Å; L281-W322 HydrophobicContact CB-CH2 4.31Å; L281-W322 HydrophobicContact CB-CZ3 4.01Å; L281-W322 HydrophobicContact CD1-CB 4.03Å; L281-W322 HydrophobicContact CD1-CD2 4.01Å; L281-W322 HydrophobicContact CD1-CE3 4.11Å; L281-W322 HydrophobicContact CD1-CG 3.99Å; L281-W322 HydrophobicContact CG-CD2 4.09Å; L281-W322 HydrophobicContact CG-CE3 4.25Å; L281-W322 HydrophobicContact CG-CG 4.4Å; V284-W322 HydrophobicContact CG2-CZ2 3.87Å; S301-W322 PolarHBondContact OG-NE1 2.85Å; D302-W322 PolarHBondContact O-NE1 2.75Å; D302-W322 VanDerWaalsContact O-NE1 3.11Å; I303-W322 HydrophobicContact CG2-CB 4.38Å; G304-W322 VanDerWaalsContact C-CZ3 3.46Å; G304-W322 VanDerWaalsContact CA-CE3 3.46Å; G304-W322 VanDerWaalsContact N-CB 3.34Å; G304-W322 VanDerWaalsContact N-CD2 3.33Å; G305-W322 VanDerWaalsContact N-CE3 3.34Å; L318-W322 HydrophobicContact CD1-CE3 3.89Å; L318-W322 HydrophobicContact CD1-CZ3 4.19Å; L318-W322 HydrophobicContact CD2-CZ3 4.47Å; L318-W322 HydrophobicContact CG-CE3 4.09Å; L318-W322 HydrophobicContact CG-CZ3 4.44Å; L318-W322 WeakPolarHBondContact O-CB 3.39Å; L318-W322 PolarHBondContact O-N 3.02Å; L319-W322 PolarHBondContact O-N 3.2Å; L320-W322 VanDerWaalsContact C-N 3.34Å; W322-F325 AromaticContact CD1-CD1 3.99Å; W322-F325 PolarHBondContact O-N 3Å; W322-S326 WeakPolarHBondContact O-CB 3.32Å; W322-S326 PolarHBondContact O-N 2.92Å; W322-S326 PolarHBondContact O-OG 3.13Å
323	C	99	Very high	98.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.3	-42.6	172.4	-169.2	0	0	0	0	110.8	I303 L319 L320 R321 F325 S326 A327 F356	I303-C323 HydrophobicContact CG2-CB 3.96Å; L319-C323 WeakPolarHBondContact O-CB 3.44Å; L319-C323 PolarHBondContact O-N 3.22Å; L320-C323 WeakPolarHBondContact O-CB 3.46Å; L320-C323 PolarHBondContact O-N 2.7Å; R321-C323 VanDerWaalsContact C-N 3.34Å; C323-F325 VanDerWaalsContact C-N 3.34Å; C323-F325 PolarHBondContact O-N 3.22Å; C323-S326 PolarHBondContact O-N 2.77Å; C323-A327 PolarHBondContact O-N 3.39Å; C323-A327 VanDerWaalsContact O-N 3.12Å; C323-F356 HydrophobicContact CB-CE2 4.36Å; C323-F356 HydrophobicContact CB-CZ 4.22Å
324	D	99	Very high	98.9	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.011	4%	0.039	C	C	.	.	H	α-helix	trans	-57.4	-46.4	173	-73.9	-11.5	0	0	0	111.5	L320 R321 F328 H355 M359 G454 P456	L320-D324 PolarHBondContact O-N 3.46Å; R321-D324 WeakPolarHBondContact O-CB 3.32Å; R321-D324 PolarHBondContact O-N 2.84Å; D324-F328 VanDerWaalsContact O-CD2 3.31Å; D324-F328 WeakPolarHBondContact O-CD2 3.42Å; D324-H355 IonicContact OD1-CE1 3.13Å; D324-H355 PolarHBondContact OD1-CE1 2.95Å; D324-H355 IonicContact OD1-NE2 3.91Å; D324-H355 PolarHBondContact OD1-NE2 3.2Å; D324-M359 HydrophobicContact CB-CE 4.42Å; D324-M359 WeakPolarHBondContact OD1-CG 3.34Å; D324-G454 WeakPolarHBondContact OD1-CA 3.42Å; D324-G454 PolarHBondContact OD1-N 2.68Å; D324-G454 PolarHBondContact OD2-N 3.43Å; D324-P456 HydrophobicContact CB-CB 4.07Å; D324-P456 HydrophobicContact CB-CG 4Å
325	F	98.9	Very high	98.9	Very high	3 Å²	3	7.6 Å²	7.6	1%	0.013	4%	0.04	C	C	.	.	H	α-helix	trans	-63	-49.7	177.2	167.5	-143.4	0	0	0	112.3	L281 V284 V285 R321 W322 C323 A327 F328 T329 M385 Y405 P415	L281-F325 HydrophobicContact CD2-CD1 4.3Å; L281-F325 HydrophobicContact CG-CD1 4.37Å; V284-F325 HydrophobicContact CB-CE1 3.79Å; V284-F325 HydrophobicContact CB-CZ 4.16Å; V284-F325 HydrophobicContact CG1-CE1 3.59Å; V284-F325 HydrophobicContact CG1-CZ 3.72Å; V284-F325 HydrophobicContact CG2-CE1 4.39Å; V285-F325 HydrophobicContact CG2-CZ 4.31Å; R321-F325 PolarHBondContact O-N 2.74Å; W322-F325 AromaticContact CD1-CD1 3.99Å; W322-F325 PolarHBondContact O-N 3Å; C323-F325 VanDerWaalsContact C-N 3.34Å; C323-F325 PolarHBondContact O-N 3.22Å; F325-A327 PolarHBondContact O-N 3.1Å; F325-F328 PolarHBondContact O-N 3.18Å; F325-T329 HydrophobicContact CD2-CG2 4.18Å; F325-T329 HydrophobicContact CE2-CG2 3.71Å; F325-T329 HydrophobicContact CZ-CG2 4.11Å; F325-M385 HydrophobicContact CE2-CE 4.17Å; F325-M385 HydrophobicContact CZ-CE 4.31Å; F325-Y405 HydrophobicContact CD2-CE1 4.25Å; F325-Y405 AromaticContact CE2-CE1 3.71Å; F325-Y405 HydrophobicContact CE2-CE1 3.71Å; F325-Y405 AromaticContact CE2-CZ 3.9Å; F325-Y405 WeakPolarHBondContact CE2-OH 3.45Å; F325-P415 HydrophobicContact CB-CB 4.17Å; F325-P415 HydrophobicContact CB-CG 4.44Å; F325-P415 HydrophobicContact CD2-CB 4.14Å; F325-P415 HydrophobicContact CD2-CG 3.51Å; F325-P415 HydrophobicContact CE2-CG 3.97Å; F325-P415 HydrophobicContact CG-CB 4.17Å; F325-P415 HydrophobicContact CG-CG 4.04Å
326	S	98.9	Very high	98.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-70.7	-20.2	-172.6	-56	0	0	0	0	113.4	I303 W322 C323 F328 T329 M332	I303-S326 WeakPolarHBondContact CG1-OG 3.31Å; W322-S326 WeakPolarHBondContact O-CB 3.32Å; W322-S326 PolarHBondContact O-N 2.92Å; W322-S326 PolarHBondContact O-OG 3.13Å; C323-S326 PolarHBondContact O-N 2.77Å; S326-F328 PolarHBondContact O-N 2.85Å; S326-F328 VanDerWaalsContact O-N 3.16Å; S326-T329 PolarHBondContact O-N 3.05Å; S326-T329 PolarHBondContact O-OG1 3.24Å; S326-M332 WeakPolarHBondContact O-CG 3.18Å
327	A	98.9	Very high	98.8	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-13.9	171	0	0	0	0	0	113.3	C323 F325 M332 M359 F363	C323-A327 PolarHBondContact O-N 3.39Å; C323-A327 VanDerWaalsContact O-N 3.12Å; F325-A327 PolarHBondContact O-N 3.1Å; A327-M332 HydrophobicContact CB-CE 4.09Å; A327-M332 HydrophobicContact CB-SD 4.16Å; A327-M359 HydrophobicContact CB-CB 4.14Å; A327-M359 HydrophobicContact CB-CE 3.93Å; A327-F363 HydrophobicContact CB-CB 4.34Å
328	F	99	Very high	98.5	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	28.4	176.7	-62.9	-85.6	0	0	0	112.7	D324 F325 S326 M359 V362 L366 Y405 L407 I411 V413 W437 P456 V458	D324-F328 VanDerWaalsContact O-CD2 3.31Å; D324-F328 WeakPolarHBondContact O-CD2 3.42Å; F325-F328 PolarHBondContact O-N 3.18Å; S326-F328 PolarHBondContact O-N 2.85Å; S326-F328 VanDerWaalsContact O-N 3.16Å; F328-M359 HydrophobicContact CE2-CE 4.18Å; F328-V362 HydrophobicContact CE1-CG1 4.3Å; F328-V362 HydrophobicContact CE2-CG1 4.22Å; F328-V362 HydrophobicContact CZ-CG1 3.73Å; F328-L366 HydrophobicContact CD1-CD1 3.93Å; F328-L366 HydrophobicContact CE1-CD1 3.85Å; F328-Y405 PolarHBondContact O-OH 2.93Å; F328-L407 HydrophobicContact CB-CD2 4.02Å; F328-L407 HydrophobicContact CD1-CD2 4.15Å; F328-L407 WeakPolarHBondContact O-CD1 3.27Å; F328-L407 WeakPolarHBondContact O-CD2 3.41Å; F328-I411 HydrophobicContact CD1-CG2 4.41Å; F328-V413 HydrophobicContact CB-CG1 4.3Å; F328-V413 HydrophobicContact CB-CG2 3.91Å; F328-V413 HydrophobicContact CD1-CG2 4.36Å; F328-V413 HydrophobicContact CG-CG2 4.25Å; F328-W437 HydrophobicContact CE2-CH2 4.39Å; F328-W437 HydrophobicContact CE2-CZ2 4.05Å; F328-W437 AromaticContact CZ-CH2 3.92Å; F328-W437 HydrophobicContact CZ-CH2 3.92Å; F328-W437 AromaticContact CZ-CZ2 3.71Å; F328-W437 HydrophobicContact CZ-CZ2 3.71Å; F328-P456 HydrophobicContact CD2-CG 4.36Å; F328-P456 HydrophobicContact CE2-CG 3.74Å; F328-V458 HydrophobicContact CD1-CG1 4.16Å; F328-V458 HydrophobicContact CD1-CG2 4.28Å; F328-V458 HydrophobicContact CD2-CG2 4.04Å; F328-V458 HydrophobicContact CE1-CB 4.4Å; F328-V458 HydrophobicContact CE1-CG1 3.65Å; F328-V458 HydrophobicContact CE1-CG2 4.03Å; F328-V458 HydrophobicContact CE2-CG2 3.8Å; F328-V458 HydrophobicContact CG-CG2 4.29Å; F328-V458 HydrophobicContact CZ-CB 4.31Å; F328-V458 HydrophobicContact CZ-CG1 4.03Å; F328-V458 HydrophobicContact CZ-CG2 3.79Å
329	T	98.9	Very high	98.3	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.006	3%	0.028	C	C	.	.	S	Bend	trans	-121	169.4	169.6	73.5	0	0	0	0	109.1	F325 S326 M331 F363 M385	F325-T329 HydrophobicContact CD2-CG2 4.18Å; F325-T329 HydrophobicContact CE2-CG2 3.71Å; F325-T329 HydrophobicContact CZ-CG2 4.11Å; S326-T329 PolarHBondContact O-N 3.05Å; S326-T329 PolarHBondContact O-OG1 3.24Å; T329-M331 PolarHBondContact O-N 2.93Å; T329-M331 PolarHBondContact OG1-O 2.87Å; T329-M331 VanDerWaalsContact OG1-O 3.12Å; T329-F363 WeakPolarHBondContact O-CE2 3.47Å; T329-M385 HydrophobicContact CG2-CE 4.29Å; T329-M385 HydrophobicContact CG2-SD 4Å
330	P	98.9	Very high	98.2	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-70.1	-7.6	-178.8	26	-35.7	0	0	0	115.3	L47 I51 M265 H299 V384	L47-P330 HydrophobicContact CD1-CB 4.15Å; I51-P330 WeakPolarHBondContact CG2-O 3.35Å; M265-P330 HydrophobicContact CE-CG 4.4Å; H299-P330 VanDerWaalsContact O-CD 3.29Å; H299-P330 WeakPolarHBondContact O-CD 3.34Å; H299-P330 WeakPolarHBondContact O-CG 3.5Å; P330-V384 HydrophobicContact CB-CG1 4.27Å; P330-V384 HydrophobicContact CG-CG1 4.38Å
331	M	98.9	Very high	98	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.079	C	C	.	.			trans	-152.9	131.8	-178	-179	179.6	-178.7	0	0	111.6	I51 L249 F251 M265 H300 T329 R333	I51-M331 HydrophobicContact CG2-CB 4.3Å; I51-M331 HydrophobicContact CG2-CG 4.38Å; L249-M331 HydrophobicContact CD2-CE 3.96Å; L249-M331 HydrophobicContact CD2-SD 3.92Å; F251-M331 HydrophobicContact CD1-CE 4.44Å; F251-M331 HydrophobicContact CE1-CE 4.49Å; M265-M331 HydrophobicContact CE-CB 3.97Å; M265-M331 HydrophobicContact CE-SD 4.21Å; M265-M331 HydrophobicContact CG-SD 4.29Å; H300-M331 HydrophobicContact CB-CB 4.06Å; T329-M331 PolarHBondContact O-N 2.93Å; T329-M331 PolarHBondContact OG1-O 2.87Å; T329-M331 VanDerWaalsContact OG1-O 3.12Å; M331-R333 HydrophobicContact CE-CB 4.14Å
332	M	99	Very high	97.9	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.1	169.8	-65.1	-168.6	82.2	0	0	110.5	V55 T56 I303 S326 A327 T360 F363	V55-M332 HydrophobicContact CB-CB 4.05Å; V55-M332 HydrophobicContact CG2-CB 3.96Å; T56-M332 PolarHBondContact N-O 3.11Å; I303-M332 HydrophobicContact CD1-CB 4.01Å; I303-M332 HydrophobicContact CD1-CE 3.91Å; S326-M332 WeakPolarHBondContact O-CG 3.18Å; A327-M332 HydrophobicContact CB-CE 4.09Å; A327-M332 HydrophobicContact CB-SD 4.16Å; M332-T360 HydrophobicContact CE-CG2 4.47Å; M332-T360 HydrophobicContact SD-CG2 4.16Å; M332-F363 HydrophobicContact CG-CB 4.4Å; M332-F363 HydrophobicContact CG-CD1 4.23Å; M332-F363 HydrophobicContact CG-CD2 3.91Å; M332-F363 HydrophobicContact CG-CE2 4.22Å; M332-F363 HydrophobicContact CG-CG 3.92Å; M332-F363 HydrophobicContact SD-CB 3.54Å; M332-F363 VanDerWaalsContact SD-CB 3.54Å; M332-F363 HydrophobicContact SD-CD1 4.1Å; M332-F363 HydrophobicContact SD-CD2 4.18Å; M332-F363 HydrophobicContact SD-CG 3.68Å
333	R	98.9	Very high	97.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	135.6	173.8	-174.1	-177.5	57.7	69.6	5	111.1	T56 W84 W267 H300 D302 I303 M331	T56-R333 HydrophobicContact CG2-CG 4.16Å; T56-R333 WeakPolarHBondContact O-CA 3.45Å; W84-R333 HydrophobicContact CE3-CG 4.44Å; W267-R333 VanDerWaalsContact CD1-NH2 3.27Å; H300-R333 PolarHBondContact NE2-NE 3.15Å; H300-R333 PolarHBondContact NE2-NH2 3.47Å; D302-R333 IonicContact OD1-CZ 2.81Å; D302-R333 IonicContact OD1-NH1 3.46Å; D302-R333 PolarHBondContact OD1-NH1 3.42Å; D302-R333 IonicContact OD1-NH2 4Å; D302-R333 PolarHBondContact OD1-NH2 3.18Å; I303-R333 WeakPolarHBondContact CG1-O 3.39Å; I303-R333 PolarHBondContact N-O 3.46Å; M331-R333 HydrophobicContact CE-CB 4.14Å
334	T	98.9	Very high	97.9	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.018	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	163.6	174.5	65	0	0	0	0	112	V55 T56 G58 I303 F346 F356	V55-T334 HydrophobicContact CG2-CG2 4.15Å; T56-T334 PolarHBondContact O-N 2.94Å; T56-T334 VanDerWaalsContact O-N 3.1Å; G58-T334 WeakPolarHBondContact CA-O 3.42Å; G58-T334 PolarHBondContact N-OG1 2.74Å; I303-T334 HydrophobicContact CB-CG2 4.12Å; I303-T334 HydrophobicContact CD1-CG2 4.29Å; I303-T334 HydrophobicContact CG2-CG2 4.38Å; T334-F346 HydrophobicContact CG2-CB 4.43Å; T334-F346 HydrophobicContact CG2-CD1 4.19Å; T334-F356 HydrophobicContact CG2-CE1 3.65Å; T334-F356 HydrophobicContact CG2-CZ 4Å
335	H	98.7	Very high	97.9	Very high	5 Å²	5	20.7 Å²	20.7	2%	0.023	12%	0.118	C	C	.	.			trans	-140.8	137.3	167.5	-161.4	-31	0	0	0	110.3	W84 D302 Y306 R314 G337	W84-H335 AromaticContact CH2-CD2 3.49Å; W84-H335 VanDerWaalsContact CH2-CD2 3.49Å; W84-H335 WeakPolarHBondContact CH2-CD2 3.41Å; W84-H335 AromaticContact CH2-CE1 3.97Å; W84-H335 AromaticContact CH2-NE2 3.39Å; W84-H335 WeakPolarHBondContact CH2-NE2 3.38Å; W84-H335 HydrophobicContact CZ3-CB 4.21Å; W84-H335 AromaticContact CZ3-CD2 3.52Å; W84-H335 AromaticContact CZ3-CG 3.71Å; W84-H335 AromaticContact CZ3-NE2 3.8Å; D302-H335 HydrophobicContact CB-CB 3.84Å; D302-H335 WeakPolarHBondContact OD1-CB 3.45Å; D302-H335 IonicContact OD1-CD2 3.92Å; D302-H335 IonicContact OD1-CG 3.68Å; Y306-H335 AromaticContact CD2-CD2 3.59Å; Y306-H335 AromaticContact CD2-CE1 3.67Å; Y306-H335 AromaticContact CD2-CG 3.99Å; Y306-H335 AromaticContact CD2-NE2 3.39Å; Y306-H335 WeakPolarHBondContact CD2-NE2 3.29Å; Y306-H335 AromaticContact CE2-CE1 3.57Å; Y306-H335 AromaticContact CE2-NE2 3.38Å; Y306-H335 WeakPolarHBondContact CE2-NE2 3.31Å; R314-H335 PolarHBondContact NH1-O 2.86Å; R314-H335 PolarHBondContact NH2-O 2.86Å; H335-G337 PolarHBondContact ND1-N 3.15Å; H335-G337 VanDerWaalsContact ND1-N 3.2Å; H335-G337 PolarHBondContact O-N 2.99Å
336	E	98.5	Very high	97.9	Very high	16 Å²	16	20.6 Å²	20.6	8%	0.075	12%	0.118	C	C	.	.			trans	-65.6	-17.7	176.3	-62.6	-174.2	156.8	0	0	114.1	Q60 P340 N343 Q345	Q60-E336 WeakPolarHBondContact CB-OE2 3.44Å; Q60-E336 PolarHBondContact N-OE1 3.19Å; Q60-E336 PolarHBondContact NE2-OE2 2.89Å; E336-P340 HydrophobicContact CB-CB 3.9Å; E336-P340 HydrophobicContact CB-CG 3.81Å; E336-N343 PolarHBondContact O-ND2 3.07Å; E336-Q345 PolarHBondContact O-NE2 3.49Å
337	G	96.4	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.			trans	79.9	173.1	-167	0	0	0	0	0	112.8	Y306 H335 R339	Y306-G337 WeakPolarHBondContact O-CA 3.5Å; H335-G337 PolarHBondContact ND1-N 3.15Å; H335-G337 VanDerWaalsContact ND1-N 3.2Å; H335-G337 PolarHBondContact O-N 2.99Å; G337-R339 VanDerWaalsContact C-N 3.26Å; G337-R339 PolarHBondContact O-N 3.14Å
338	N	92.9	Very high	97.9	Very high	13 Å²	13	24.8 Å²	24.8	7%	0.07	15%	0.15	C	C	.	.	S	Bend	trans	-72.2	-17.1	178.9	64.7	-64.3	0	0	0	113.7	F96 Y306 T308	F96-N338 HydrophobicContact CE1-CB 3.86Å; F96-N338 VanDerWaalsContact CE1-ND2 3.33Å; F96-N338 WeakPolarHBondContact CE1-ND2 3.35Å; F96-N338 HydrophobicContact CZ-CB 4.46Å; F96-N338 VanDerWaalsContact CZ-ND2 3.31Å; F96-N338 WeakPolarHBondContact CZ-ND2 3.31Å; Y306-N338 HydrophobicContact CE1-CB 4.3Å; Y306-N338 HydrophobicContact CE2-CB 4.28Å; Y306-N338 PolarHBondContact O-OD1 3.01Å; T308-N338 WeakPolarHBondContact CA-OD1 3.42Å; T308-N338 VanDerWaalsContact CB-OD1 3.26Å; T308-N338 WeakPolarHBondContact CB-OD1 3.37Å; T308-N338 PolarHBondContact N-OD1 2.93Å; T308-N338 PolarHBondContact O-ND2 3.28Å; T308-N338 VanDerWaalsContact O-ND2 3.1Å; T308-N338 PolarHBondContact OG1-OD1 2.78Å
339	R	94.7	Very high	97.9	Very high	85 Å²	85	27.2 Å²	27.2	32%	0.321	16%	0.163	S	C	.	.	S	Bend	trans	-128.1	78.4	173.2	-66.4	179.5	-178.1	171.3	0.3	110.8	T308 G337 G341 D342	T308-R339 HydrophobicContact CG2-CB 3.99Å; T308-R339 WeakPolarHBondContact O-CD 3.4Å; G337-R339 VanDerWaalsContact C-N 3.26Å; G337-R339 PolarHBondContact O-N 3.14Å; R339-G341 PolarHBondContact O-N 3.1Å; R339-G341 VanDerWaalsContact O-N 3.07Å; R339-D342 HydrophobicContact CB-CB 4.28Å; R339-D342 WeakPolarHBondContact CD-OD2 3.46Å; R339-D342 PolarHBondContact O-N 3.4Å
340	P	96	Very high	97.9	Very high	39 Å²	39	31 Å²	31	25%	0.253	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-52.3	-37	-171.6	-31.8	37.2	0	0	0	115.6	E336 D342 N343 Q345	E336-P340 HydrophobicContact CB-CB 3.9Å; E336-P340 HydrophobicContact CB-CG 3.81Å; P340-D342 VanDerWaalsContact C-N 3.32Å; P340-D342 PolarHBondContact O-N 2.93Å; P340-N343 PolarHBondContact O-N 3.44Å; P340-Q345 PolarHBondContact O-NE2 3.15Å
341	G	96.1	Very high	97.9	Very high	81 Å²	81	37.1 Å²	37.1	84%	0.835	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-74.6	-15.9	-176.8	0	0	0	0	0	115.2	R339	R339-G341 PolarHBondContact O-N 3.1Å; R339-G341 VanDerWaalsContact O-N 3.07Å
342	D	97.5	Very high	97.9	Very high	72 Å²	72	37.1 Å²	37.1	39%	0.385	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-90	-11.7	178.3	-71	-32.7	0	0	0	112.4	T308 K313 R339 P340	T308-D342 HydrophobicContact CG2-CB 4.09Å; K313-D342 WeakPolarHBondContact CB-O 3.48Å; K313-D342 HydrophobicContact CD-CB 4.25Å; K313-D342 HydrophobicContact CG-CB 4.17Å; R339-D342 HydrophobicContact CB-CB 4.28Å; R339-D342 WeakPolarHBondContact CD-OD2 3.46Å; R339-D342 PolarHBondContact O-N 3.4Å; P340-D342 VanDerWaalsContact C-N 3.32Å; P340-D342 PolarHBondContact O-N 2.93Å
343	N	98.6	Very high	97.9	Very high	12 Å²	12	38 Å²	38	6%	0.064	23%	0.228	C	C	.	.	S	Bend	trans	-110	143.3	-171.1	-72.1	-29.6	0	0	0	112.1	T308 R314 E336 P340 Q345	T308-N343 WeakPolarHBondContact CG2-OD1 3.49Å; T308-N343 PolarHBondContact OG1-ND2 3.14Å; R314-N343 HydrophobicContact CB-CB 3.81Å; R314-N343 WeakPolarHBondContact CB-OD1 3.37Å; R314-N343 PolarHBondContact N-OD1 3.29Å; E336-N343 PolarHBondContact O-ND2 3.07Å; P340-N343 PolarHBondContact O-N 3.44Å; N343-Q345 PolarHBondContact O-N 2.97Å
344	W	98.9	Very high	97.9	Very high	82 Å²	82	40.8 Å²	40.8	31%	0.311	25%	0.25	S	S	.	.			trans	-64.2	134.3	164.7	-163.3	-90	0	0	0	110.6	R314 K316 D349 T352	R314-W344 WeakPolarHBondContact CD-O 3.37Å; R314-W344 PolarHBondContact NH1-O 2.92Å; R314-W344 WeakPolarHBondContact O-CB 3.38Å; R314-W344 PolarHBondContact O-N 2.78Å; K316-W344 HydrophobicContact CB-CD2 3.89Å; K316-W344 HydrophobicContact CB-CE3 4.47Å; K316-W344 HydrophobicContact CB-CG 3.97Å; K316-W344 HydrophobicContact CB-CZ2 4.46Å; K316-W344 HydrophobicContact CD-CZ2 3.91Å; K316-W344 HydrophobicContact CG-CD2 4.48Å; K316-W344 HydrophobicContact CG-CZ2 4.35Å; W344-D349 HydrophobicContact CH2-CB 4.28Å; W344-D349 HydrophobicContact CZ2-CB 3.98Å; W344-D349 VanDerWaalsContact CZ2-OD2 3.28Å; W344-D349 WeakPolarHBondContact CZ2-OD2 3.47Å; W344-T352 PolarHBondContact NE1-OG1 3.48Å
345	Q	98.9	Very high	97.9	Very high	21 Å²	21	41.5 Å²	41.5	10%	0.098	25%	0.254	C	S	.	.			trans	-115.1	164.8	-176.9	-56.4	-59.9	-15.6	0	0	111.4	E336 P340 N343 D347 G348	E336-Q345 PolarHBondContact O-NE2 3.49Å; P340-Q345 PolarHBondContact O-NE2 3.15Å; N343-Q345 PolarHBondContact O-N 2.97Å; Q345-D347 PolarHBondContact O-N 2.95Å; Q345-G348 PolarHBondContact O-N 3.42Å
346	F	98.9	Very high	97.9	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.5	-176.4	61.9	-106.6	0	0	0	114.3	L57 I59 K69 M73 T334 T352 F356	L57-F346 HydrophobicContact CB-CE1 4.28Å; L57-F346 HydrophobicContact CB-CZ 4.2Å; L57-F346 HydrophobicContact CD1-CE2 4.23Å; L57-F346 HydrophobicContact CD1-CZ 4.25Å; L57-F346 HydrophobicContact CD2-CD1 4.19Å; L57-F346 HydrophobicContact CD2-CD2 4.11Å; L57-F346 HydrophobicContact CD2-CE1 4.15Å; L57-F346 HydrophobicContact CD2-CE2 4.07Å; L57-F346 HydrophobicContact CD2-CG 4.17Å; L57-F346 HydrophobicContact CD2-CZ 4.08Å; L57-F346 HydrophobicContact CG-CZ 4.41Å; I59-F346 HydrophobicContact CD1-CZ 4.01Å; I59-F346 HydrophobicContact CG1-CE1 4.06Å; I59-F346 HydrophobicContact CG1-CZ 3.82Å; K69-F346 HydrophobicContact CB-CE2 4.31Å; K69-F346 HydrophobicContact CB-CZ 4.23Å; K69-F346 HydrophobicContact CD-CZ 4.07Å; K69-F346 HydrophobicContact CG-CZ 4.4Å; M73-F346 HydrophobicContact CE-CB 4.13Å; M73-F346 HydrophobicContact CE-CD2 3.58Å; M73-F346 HydrophobicContact CE-CE2 4.42Å; M73-F346 HydrophobicContact CE-CG 4.23Å; M73-F346 HydrophobicContact CG-CD2 3.88Å; M73-F346 HydrophobicContact CG-CE2 3.78Å; M73-F346 HydrophobicContact SD-CD2 3.62Å; M73-F346 HydrophobicContact SD-CE2 4.08Å; T334-F346 HydrophobicContact CG2-CB 4.43Å; T334-F346 HydrophobicContact CG2-CD1 4.19Å; F346-T352 WeakPolarHBondContact O-CG2 3.39Å; F346-F356 HydrophobicContact CB-CD1 4.44Å; F346-F356 HydrophobicContact CB-CD2 4.2Å; F346-F356 HydrophobicContact CB-CE1 4.06Å; F346-F356 HydrophobicContact CB-CE2 3.79Å; F346-F356 HydrophobicContact CB-CZ 3.71Å
347	D	98.8	Very high	97.9	Very high	46 Å²	46	41.1 Å²	41.1	25%	0.246	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	19.2	178.8	63.7	-30.1	0	0	0	113.1	K69 M73 Q345 D349 I353	K69-D347 WeakPolarHBondContact CG-OD2 3.42Å; K69-D347 IonicContact NZ-OD1 3.86Å; K69-D347 PolarHBondContact NZ-OD1 3.43Å; K69-D347 IonicContact NZ-OD2 2.64Å; K69-D347 PolarHBondContact NZ-OD2 3.29Å; M73-D347 HydrophobicContact SD-CB 4.38Å; Q345-D347 PolarHBondContact O-N 2.95Å; D347-D349 PolarHBondContact O-N 3.04Å; D347-I353 HydrophobicContact CB-CD1 4.48Å
348	G	98.4	Very high	98	Very high	42 Å²	42	44.1 Å²	44.1	43%	0.433	27%	0.265	S	S	.	.	S	Bend	trans	-63.6	-37.2	-175.2	0	0	0	0	0	114.6	Q345	Q345-G348 PolarHBondContact O-N 3.42Å
349	D	98.8	Very high	98.3	Very high	52 Å²	52	43.5 Å²	43.5	28%	0.278	26%	0.262	S	S	.	.	S	Bend	trans	-155.4	175.2	170.4	70.2	29.4	0	0	0	112.4	K316 W344 D347 E351 T352 I353	K316-D349 IonicContact NZ-OD1 2.71Å; K316-D349 PolarHBondContact NZ-OD1 3.35Å; K316-D349 IonicContact NZ-OD2 3.64Å; K316-D349 PolarHBondContact NZ-OD2 3.06Å; W344-D349 HydrophobicContact CH2-CB 4.28Å; W344-D349 HydrophobicContact CZ2-CB 3.98Å; W344-D349 VanDerWaalsContact CZ2-OD2 3.28Å; W344-D349 WeakPolarHBondContact CZ2-OD2 3.47Å; D347-D349 PolarHBondContact O-N 3.04Å; D349-E351 VanDerWaalsContact C-N 3.32Å; D349-E351 PolarHBondContact O-N 3.3Å; D349-E351 WeakPolarHBondContact OD1-CA 3.48Å; D349-E351 WeakPolarHBondContact OD1-CB 3.36Å; D349-E351 PolarHBondContact OD1-N 3.3Å; D349-T352 PolarHBondContact O-N 3.44Å; D349-T352 PolarHBondContact OD1-N 3.18Å; D349-T352 PolarHBondContact OD1-OG1 2.76Å; D349-I353 VanDerWaalsContact O-CG1 3.3Å; D349-I353 WeakPolarHBondContact O-CG1 3.4Å; D349-I353 PolarHBondContact O-N 3.18Å
350	A	98.8	Very high	98.5	Very high	81 Å²	81	39.4 Å²	39.4	67%	0.669	25%	0.247	S	C	*	.	H	α-helix	trans	-64.3	-31.9	-177.8	0	0	0	0	0	113.7	A354	A350-A354 VanDerWaalsContact O-CB 3.3Å; A350-A354 WeakPolarHBondContact O-CB 3.45Å; A350-A354 PolarHBondContact O-N 2.81Å
351	E	98.9	Very high	98.7	Very high	127 Å²	127	39.3 Å²	39.3	59%	0.593	25%	0.245	S	C	*	.	H	α-helix	trans	-71.2	-41.8	177.2	171.8	-174.6	-168.7	0	0	110.5	K316 D349 I353 A354 H355	K316-E351 VanDerWaalsContact NZ-CD 3.3Å; K316-E351 IonicContact NZ-OE2 2.93Å; K316-E351 PolarHBondContact NZ-OE2 2.72Å; D349-E351 VanDerWaalsContact C-N 3.32Å; D349-E351 PolarHBondContact O-N 3.3Å; D349-E351 WeakPolarHBondContact OD1-CA 3.48Å; D349-E351 WeakPolarHBondContact OD1-CB 3.36Å; D349-E351 PolarHBondContact OD1-N 3.3Å; E351-I353 PolarHBondContact O-N 3.45Å; E351-A354 PolarHBondContact O-N 3.17Å; E351-H355 WeakPolarHBondContact O-CB 3.49Å; E351-H355 PolarHBondContact O-N 2.87Å
352	T	98.9	Very high	98.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.1	-46.1	173.1	-64.5	0	0	0	0	110.9	K316 L319 L320 W344 F346 D349 A354 H355 F356	K316-T352 WeakPolarHBondContact CE-OG1 3.28Å; L319-T352 HydrophobicContact CD2-CG2 3.98Å; L320-T352 HydrophobicContact CD2-CG2 3.95Å; W344-T352 PolarHBondContact NE1-OG1 3.48Å; F346-T352 WeakPolarHBondContact O-CG2 3.39Å; D349-T352 PolarHBondContact O-N 3.44Å; D349-T352 PolarHBondContact OD1-N 3.18Å; D349-T352 PolarHBondContact OD1-OG1 2.76Å; T352-A354 VanDerWaalsContact C-N 3.35Å; T352-A354 PolarHBondContact O-N 2.87Å; T352-H355 WeakPolarHBondContact O-CB 3.41Å; T352-H355 PolarHBondContact O-N 3.02Å; T352-F356 HydrophobicContact CG2-CD2 4.04Å; T352-F356 HydrophobicContact CG2-CE2 4.07Å; T352-F356 WeakPolarHBondContact O-CD2 3.44Å; T352-F356 PolarHBondContact O-N 3.34Å
353	I	98.9	Very high	98.9	Very high	20 Å²	20	32 Å²	32	10%	0.103	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-44.5	178.2	-64.8	166.5	0	0	0	110.8	T72 M73 A76 V78 D347 D349 E351 H355 F356 A357	T72-I353 HydrophobicContact CG2-CD1 4.05Å; M73-I353 HydrophobicContact SD-CB 4.4Å; M73-I353 HydrophobicContact SD-CG1 3.85Å; M73-I353 HydrophobicContact SD-CG2 3.99Å; A76-I353 HydrophobicContact CB-CG2 3.26Å; V78-I353 HydrophobicContact CG2-CG2 4.12Å; D347-I353 HydrophobicContact CB-CD1 4.48Å; D349-I353 VanDerWaalsContact O-CG1 3.3Å; D349-I353 WeakPolarHBondContact O-CG1 3.4Å; D349-I353 PolarHBondContact O-N 3.18Å; E351-I353 PolarHBondContact O-N 3.45Å; I353-H355 VanDerWaalsContact C-N 3.3Å; I353-H355 PolarHBondContact O-N 3.13Å; I353-F356 PolarHBondContact O-N 3.31Å; I353-A357 PolarHBondContact O-N 3.13Å
354	A	98.9	Very high	98.9	Very high	58 Å²	58	32.9 Å²	32.9	48%	0.479	19%	0.193	S	C	.	.	H	α-helix	trans	-63.1	-36.3	176.6	0	0	0	0	0	112.3	A350 E351 T352 A357 R358	A350-A354 VanDerWaalsContact O-CB 3.3Å; A350-A354 WeakPolarHBondContact O-CB 3.45Å; A350-A354 PolarHBondContact O-N 2.81Å; E351-A354 PolarHBondContact O-N 3.17Å; T352-A354 VanDerWaalsContact C-N 3.35Å; T352-A354 PolarHBondContact O-N 2.87Å; A354-A357 WeakPolarHBondContact O-CB 3.44Å; A354-A357 PolarHBondContact O-N 3.49Å; A354-R358 PolarHBondContact O-N 2.83Å
355	H	98.9	Very high	98.9	Very high	18 Å²	18	30.6 Å²	30.6	8%	0.083	19%	0.188	C	C	.	.	H	α-helix	trans	-63.3	-47.1	174.4	-169.1	85.6	0	0	0	111.7	L320 D324 E351 T352 I353 A357 R358 M359 I453 G454	L320-H355 HydrophobicContact CD1-CB 4.3Å; L320-H355 HydrophobicContact CD2-CB 3.85Å; L320-H355 PolarHBondContact O-NE2 2.89Å; D324-H355 IonicContact OD1-CE1 3.13Å; D324-H355 PolarHBondContact OD1-CE1 2.95Å; D324-H355 IonicContact OD1-NE2 3.91Å; D324-H355 PolarHBondContact OD1-NE2 3.2Å; E351-H355 WeakPolarHBondContact O-CB 3.49Å; E351-H355 PolarHBondContact O-N 2.87Å; T352-H355 WeakPolarHBondContact O-CB 3.41Å; T352-H355 PolarHBondContact O-N 3.02Å; I353-H355 VanDerWaalsContact C-N 3.3Å; I353-H355 PolarHBondContact O-N 3.13Å; H355-A357 VanDerWaalsContact C-N 3.29Å; H355-A357 PolarHBondContact O-N 3.25Å; H355-R358 WeakPolarHBondContact O-CB 3.46Å; H355-R358 PolarHBondContact O-N 2.86Å; H355-M359 WeakPolarHBondContact O-CG 3.44Å; H355-M359 PolarHBondContact O-N 3.23Å; H355-I453 WeakPolarHBondContact CE1-CG2 3.45Å; H355-G454 PolarHBondContact CE1-N 3.06Å
356	F	98.9	Very high	98.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.8	-38.8	172.7	-89	-97.6	0	0	0	111.7	M73 V78 I303 L319 C323 T334 F346 T352 I353 R358 M359 T360	M73-F356 HydrophobicContact CE-CB 3.85Å; M73-F356 HydrophobicContact CE-CD1 4.44Å; M73-F356 HydrophobicContact CE-CG 4.1Å; V78-F356 HydrophobicContact CG1-CB 4.3Å; V78-F356 HydrophobicContact CG2-CB 4.31Å; I303-F356 HydrophobicContact CD1-CE1 4.49Å; I303-F356 HydrophobicContact CG2-CE1 4.17Å; I303-F356 HydrophobicContact CG2-CZ 3.79Å; L319-F356 HydrophobicContact CD1-CZ 4.26Å; L319-F356 HydrophobicContact CD2-CE2 3.9Å; L319-F356 HydrophobicContact CD2-CZ 4.32Å; L319-F356 HydrophobicContact CG-CE2 4.04Å; L319-F356 HydrophobicContact CG-CZ 4.22Å; C323-F356 HydrophobicContact CB-CE2 4.36Å; C323-F356 HydrophobicContact CB-CZ 4.22Å; T334-F356 HydrophobicContact CG2-CE1 3.65Å; T334-F356 HydrophobicContact CG2-CZ 4Å; F346-F356 HydrophobicContact CB-CD1 4.44Å; F346-F356 HydrophobicContact CB-CD2 4.2Å; F346-F356 HydrophobicContact CB-CE1 4.06Å; F346-F356 HydrophobicContact CB-CE2 3.79Å; F346-F356 HydrophobicContact CB-CZ 3.71Å; T352-F356 HydrophobicContact CG2-CD2 4.04Å; T352-F356 HydrophobicContact CG2-CE2 4.07Å; T352-F356 WeakPolarHBondContact O-CD2 3.44Å; T352-F356 PolarHBondContact O-N 3.34Å; I353-F356 PolarHBondContact O-N 3.31Å; F356-R358 PolarHBondContact O-N 3.42Å; F356-M359 PolarHBondContact O-N 3.24Å; F356-T360 VanDerWaalsContact O-CB 3.3Å; F356-T360 WeakPolarHBondContact O-CB 3.23Å; F356-T360 VanDerWaalsContact O-CG2 3.24Å; F356-T360 WeakPolarHBondContact O-CG2 3.47Å; F356-T360 PolarHBondContact O-N 2.91Å; F356-T360 PolarHBondContact O-OG1 3.22Å
357	A	98.9	Very high	98.9	Very high	13 Å²	13	31.4 Å²	31.4	11%	0.107	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-43.3	176.3	0	0	0	0	0	111.9	V78 I353 A354 H355 T360 T361	V78-A357 HydrophobicContact CG2-CB 3.82Å; I353-A357 PolarHBondContact O-N 3.13Å; A354-A357 WeakPolarHBondContact O-CB 3.44Å; A354-A357 PolarHBondContact O-N 3.49Å; H355-A357 VanDerWaalsContact C-N 3.29Å; H355-A357 PolarHBondContact O-N 3.25Å; A357-T360 PolarHBondContact O-OG1 3.34Å; A357-T361 WeakPolarHBondContact O-CB 3.47Å; A357-T361 PolarHBondContact O-N 2.99Å; A357-T361 VanDerWaalsContact O-N 3.12Å; A357-T361 PolarHBondContact O-OG1 2.94Å
358	R	98.9	Very high	98.9	Very high	63 Å²	63	32 Å²	32	24%	0.238	20%	0.198	C	C	.	.	H	α-helix	trans	-59.4	-56.4	173.9	-179.3	-175.7	179.2	65.9	16.9	111.2	A354 H355 F356 T360 T361 V362 G454 I476	A354-R358 PolarHBondContact O-N 2.83Å; H355-R358 WeakPolarHBondContact O-CB 3.46Å; H355-R358 PolarHBondContact O-N 2.86Å; F356-R358 PolarHBondContact O-N 3.42Å; R358-T360 PolarHBondContact O-N 2.8Å; R358-T361 WeakPolarHBondContact O-CB 3.39Å; R358-T361 PolarHBondContact O-N 3.41Å; R358-T361 VanDerWaalsContact O-N 3.12Å; R358-V362 PolarHBondContact O-N 2.96Å; R358-G454 PolarHBondContact NE-O 3.46Å; R358-I476 PolarHBondContact NH1-O 3.34Å; R358-I476 PolarHBondContact NH1-OXT 2.77Å; R358-I476 PolarHBondContact NH2-OXT 3.25Å
359	M	98.9	Very high	98.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-73	-31.1	-170.7	-60.9	-41.7	-70.6	0	0	113	D324 A327 F328 H355 F356 T361 V362 F363 W437 P456	D324-M359 HydrophobicContact CB-CE 4.42Å; D324-M359 WeakPolarHBondContact OD1-CG 3.34Å; A327-M359 HydrophobicContact CB-CB 4.14Å; A327-M359 HydrophobicContact CB-CE 3.93Å; F328-M359 HydrophobicContact CE2-CE 4.18Å; H355-M359 WeakPolarHBondContact O-CG 3.44Å; H355-M359 PolarHBondContact O-N 3.23Å; F356-M359 PolarHBondContact O-N 3.24Å; M359-T361 VanDerWaalsContact C-N 3.34Å; M359-V362 WeakPolarHBondContact O-CB 3.49Å; M359-V362 PolarHBondContact O-N 3.1Å; M359-V362 HydrophobicContact SD-CG2 4.49Å; M359-F363 WeakPolarHBondContact O-CB 3.21Å; M359-F363 PolarHBondContact O-N 3.18Å; M359-W437 HydrophobicContact CE-CH2 4.46Å; M359-P456 HydrophobicContact CE-CG 4.39Å
360	T	98.9	Very high	98.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-69.9	-30.8	169.8	56.6	0	0	0	0	112.5	V55 V78 K79 M332 F356 A357 R358 T364	V55-T360 HydrophobicContact CB-CG2 3.74Å; V55-T360 HydrophobicContact CG1-CG2 3.72Å; V78-T360 HydrophobicContact CG1-CG2 4Å; K79-T360 PolarHBondContact N-OG1 3.29Å; K79-T360 VanDerWaalsContact N-OG1 3.14Å; M332-T360 HydrophobicContact CE-CG2 4.47Å; M332-T360 HydrophobicContact SD-CG2 4.16Å; F356-T360 VanDerWaalsContact O-CB 3.3Å; F356-T360 WeakPolarHBondContact O-CB 3.23Å; F356-T360 VanDerWaalsContact O-CG2 3.24Å; F356-T360 WeakPolarHBondContact O-CG2 3.47Å; F356-T360 PolarHBondContact O-N 2.91Å; F356-T360 PolarHBondContact O-OG1 3.22Å; A357-T360 PolarHBondContact O-OG1 3.34Å; R358-T360 PolarHBondContact O-N 2.8Å; T360-T364 WeakPolarHBondContact O-CB 3.27Å; T360-T364 VanDerWaalsContact O-CG2 3.28Å; T360-T364 WeakPolarHBondContact O-CG2 3.29Å; T360-T364 PolarHBondContact O-N 2.89Å; T360-T364 PolarHBondContact O-OG1 3.4Å
361	T	98.9	Very high	98.9	Very high	36 Å²	36	27.2 Å²	27.2	22%	0.221	15%	0.147	C	C	.	.	H	α-helix	trans	-69.1	-39.1	171.9	-55.9	0	0	0	0	111.2	A357 R358 M359 T364 T365 I476	A357-T361 WeakPolarHBondContact O-CB 3.47Å; A357-T361 PolarHBondContact O-N 2.99Å; A357-T361 VanDerWaalsContact O-N 3.12Å; A357-T361 PolarHBondContact O-OG1 2.94Å; R358-T361 WeakPolarHBondContact O-CB 3.39Å; R358-T361 PolarHBondContact O-N 3.41Å; R358-T361 VanDerWaalsContact O-N 3.12Å; M359-T361 VanDerWaalsContact C-N 3.34Å; T361-T364 WeakPolarHBondContact CA-OG1 3.34Å; T361-T364 PolarHBondContact O-OG1 3.05Å; T361-T365 WeakPolarHBondContact O-CB 3.43Å; T361-T365 PolarHBondContact O-N 2.58Å; T361-T365 PolarHBondContact O-OG1 3.07Å; T361-I476 HydrophobicContact CG2-CD1 4.07Å; T361-I476 HydrophobicContact CG2-CG1 4.26Å; T361-I476 HydrophobicContact CG2-CG2 3.73Å
362	V	98.9	Very high	98.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.7	-53.2	170.6	168.2	0	0	0	0	110.7	F328 R358 M359 T364 T365 L366 W437 L473 I476	F328-V362 HydrophobicContact CE1-CG1 4.3Å; F328-V362 HydrophobicContact CE2-CG1 4.22Å; F328-V362 HydrophobicContact CZ-CG1 3.73Å; R358-V362 PolarHBondContact O-N 2.96Å; M359-V362 WeakPolarHBondContact O-CB 3.49Å; M359-V362 PolarHBondContact O-N 3.1Å; M359-V362 HydrophobicContact SD-CG2 4.49Å; V362-T364 PolarHBondContact O-N 3.25Å; V362-T365 WeakPolarHBondContact O-CB 3.38Å; V362-T365 PolarHBondContact O-N 3.39Å; V362-L366 PolarHBondContact O-N 2.93Å; V362-W437 HydrophobicContact CG1-CH2 4.2Å; V362-W437 HydrophobicContact CG2-CH2 4.02Å; V362-W437 HydrophobicContact CG2-CZ3 4.14Å; V362-L473 HydrophobicContact CG1-CD2 4.22Å; V362-I476 HydrophobicContact CG2-CD1 4.49Å; V362-I476 HydrophobicContact CG2-CG2 4.29Å
363	F	98.9	Very high	98.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.7	-49.9	-179.7	172.2	-102.8	0	0	0	112.5	I51 A327 T329 M332 M359 T365 L366 K367 L370	I51-F363 WeakPolarHBondContact O-CE1 3.33Å; A327-F363 HydrophobicContact CB-CB 4.34Å; T329-F363 WeakPolarHBondContact O-CE2 3.47Å; M332-F363 HydrophobicContact CG-CB 4.4Å; M332-F363 HydrophobicContact CG-CD1 4.23Å; M332-F363 HydrophobicContact CG-CD2 3.91Å; M332-F363 HydrophobicContact CG-CE2 4.22Å; M332-F363 HydrophobicContact CG-CG 3.92Å; M332-F363 HydrophobicContact SD-CB 3.54Å; M332-F363 VanDerWaalsContact SD-CB 3.54Å; M332-F363 HydrophobicContact SD-CD1 4.1Å; M332-F363 HydrophobicContact SD-CD2 4.18Å; M332-F363 HydrophobicContact SD-CG 3.68Å; M359-F363 WeakPolarHBondContact O-CB 3.21Å; M359-F363 PolarHBondContact O-N 3.18Å; F363-T365 VanDerWaalsContact C-N 3.29Å; F363-T365 PolarHBondContact O-N 3.06Å; F363-L366 WeakPolarHBondContact O-CB 3.48Å; F363-L366 PolarHBondContact O-N 3.31Å; F363-K367 PolarHBondContact O-N 3.43Å; F363-L370 HydrophobicContact CD2-CD1 4Å; F363-L370 HydrophobicContact CE2-CD1 3.69Å; F363-L370 HydrophobicContact CZ-CD1 4.44Å
364	T	98.9	Very high	98.9	Very high	30 Å²	30	24.2 Å²	24.2	18%	0.184	13%	0.133	C	C	.	.	H	α-helix	trans	-65.9	-30.1	179.4	50	0	0	0	0	112.8	Y52 D53 K79 T360 T361 V362 L366 K367	Y52-T364 WeakPolarHBondContact O-CG2 3.43Å; D53-T364 WeakPolarHBondContact O-CG2 3.37Å; K79-T364 HydrophobicContact CB-CG2 3.75Å; K79-T364 HydrophobicContact CG-CG2 3.9Å; T360-T364 WeakPolarHBondContact O-CB 3.27Å; T360-T364 VanDerWaalsContact O-CG2 3.28Å; T360-T364 WeakPolarHBondContact O-CG2 3.29Å; T360-T364 PolarHBondContact O-N 2.89Å; T360-T364 PolarHBondContact O-OG1 3.4Å; T361-T364 WeakPolarHBondContact CA-OG1 3.34Å; T361-T364 PolarHBondContact O-OG1 3.05Å; V362-T364 PolarHBondContact O-N 3.25Å; T364-L366 VanDerWaalsContact C-N 3.27Å; T364-L366 PolarHBondContact O-N 3.22Å; T364-K367 WeakPolarHBondContact O-CB 3.44Å; T364-K367 PolarHBondContact O-N 3.08Å
365	T	98.9	Very high	98.9	Very high	35 Å²	35	23 Å²	23	22%	0.215	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-34	172	-58.7	0	0	0	0	111.4	T361 V362 F363 K367 L469 L473 I476	T361-T365 WeakPolarHBondContact O-CB 3.43Å; T361-T365 PolarHBondContact O-N 2.58Å; T361-T365 PolarHBondContact O-OG1 3.07Å; V362-T365 WeakPolarHBondContact O-CB 3.38Å; V362-T365 PolarHBondContact O-N 3.39Å; F363-T365 VanDerWaalsContact C-N 3.29Å; F363-T365 PolarHBondContact O-N 3.06Å; T365-K367 VanDerWaalsContact C-N 3.27Å; T365-K367 PolarHBondContact O-N 2.8Å; T365-L469 HydrophobicContact CG2-CD1 3.86Å; T365-L469 WeakPolarHBondContact O-CD1 3.36Å; T365-L473 HydrophobicContact CG2-CD2 3.79Å; T365-I476 HydrophobicContact CG2-CD1 4.3Å; T365-I476 WeakPolarHBondContact OG1-CD1 3.43Å
366	L	98.9	Very high	98.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-3	177.2	-66	176.4	0	0	0	114.2	F328 V362 F363 T364 Y369 L370 I411 F470 L473	F328-L366 HydrophobicContact CD1-CD1 3.93Å; F328-L366 HydrophobicContact CE1-CD1 3.85Å; V362-L366 PolarHBondContact O-N 2.93Å; F363-L366 WeakPolarHBondContact O-CB 3.48Å; F363-L366 PolarHBondContact O-N 3.31Å; T364-L366 VanDerWaalsContact C-N 3.27Å; T364-L366 PolarHBondContact O-N 3.22Å; L366-Y369 PolarHBondContact O-N 3.31Å; L366-Y369 VanDerWaalsContact O-N 3.08Å; L366-L370 HydrophobicContact CB-CD1 4.11Å; L366-L370 HydrophobicContact CB-CG 4.21Å; L366-L370 PolarHBondContact O-N 3.48Å; L366-I411 HydrophobicContact CD1-CD1 4.41Å; L366-I411 HydrophobicContact CD2-CD1 4.03Å; L366-F470 HydrophobicContact CD2-CD1 3.93Å; L366-F470 HydrophobicContact CD2-CE1 3.97Å; L366-L473 HydrophobicContact CD2-CD1 4.14Å; L366-L473 HydrophobicContact CD2-CD2 4.48Å; L366-L473 HydrophobicContact CG-CD2 4.48Å
367	K	98.9	Very high	98.9	Very high	39 Å²	39	24.9 Å²	24.9	17%	0.17	13%	0.134	C	C	.	.	H	α-helix	trans	-41.4	-54.6	179.9	171.3	163.6	-177.7	155	0	114.5	D49 Y52 D53 F363 T364 T365 Y369 L370 K371	D49-K367 PolarHBondContact O-NZ 3.18Å; D49-K367 IonicContact OD1-NZ 2.68Å; D49-K367 WeakPolarHBondContact OD2-CE 3.41Å; D49-K367 IonicContact OD2-NZ 2.88Å; D49-K367 PolarHBondContact OD2-NZ 2.93Å; Y52-K367 VanDerWaalsContact CB-CG 3.43Å; Y52-K367 HydrophobicContact CD2-CG 4.47Å; Y52-K367 HydrophobicContact CG-CD 4.47Å; Y52-K367 HydrophobicContact CG-CG 4.06Å; D53-K367 IonicContact OD1-NZ 3.8Å; D53-K367 PolarHBondContact OD1-NZ 2.88Å; D53-K367 IonicContact OD2-NZ 2.77Å; F363-K367 PolarHBondContact O-N 3.43Å; T364-K367 WeakPolarHBondContact O-CB 3.44Å; T364-K367 PolarHBondContact O-N 3.08Å; T365-K367 VanDerWaalsContact C-N 3.27Å; T365-K367 PolarHBondContact O-N 2.8Å; K367-Y369 PolarHBondContact O-N 2.86Å; K367-L370 PolarHBondContact O-N 3.18Å; K367-K371 VanDerWaalsContact O-CB 3.26Å; K367-K371 WeakPolarHBondContact O-CB 3.28Å; K367-K371 PolarHBondContact O-N 3.08Å
368	P	98.8	Very high	98.9	Very high	58 Å²	58	25.4 Å²	25.4	38%	0.377	14%	0.138	S	C	.	.	H	α-helix	trans	-65.4	-37.7	-176.3	26.3	-35.4	0	0	0	113	K371 E372 W466 L469	P368-K371 PolarHBondContact O-N 2.88Å; P368-E372 PolarHBondContact O-N 2.81Å; P368-E372 VanDerWaalsContact O-N 3.12Å; P368-W466 HydrophobicContact CB-CH2 3.89Å; P368-W466 HydrophobicContact CB-CZ3 3.79Å; P368-W466 HydrophobicContact CG-CZ3 3.96Å; P368-L469 HydrophobicContact CG-CD2 3.93Å
369	Y	98.9	Very high	98.9	Very high	4 Å²	4	30 Å²	30	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-67.2	-45.7	176.5	175.4	-106.9	0	0	0	111.9	L366 K367 K371 E372 A373 L407 G408 R409 D410 I411 W466 F470	L366-Y369 PolarHBondContact O-N 3.31Å; L366-Y369 VanDerWaalsContact O-N 3.08Å; K367-Y369 PolarHBondContact O-N 2.86Å; Y369-K371 VanDerWaalsContact C-N 3.31Å; Y369-K371 PolarHBondContact O-N 3.31Å; Y369-E372 PolarHBondContact O-N 3.2Å; Y369-A373 PolarHBondContact O-N 2.81Å; Y369-L407 HydrophobicContact CE1-CG 4.34Å; Y369-L407 WeakPolarHBondContact CE1-O 3.49Å; Y369-L407 PolarHBondContact OH-O 3.21Å; Y369-G408 VanDerWaalsContact OH-C 3.31Å; Y369-G408 VanDerWaalsContact OH-CA 3.23Å; Y369-G408 WeakPolarHBondContact OH-CA 3.18Å; Y369-R409 PolarHBondContact OH-N 2.66Å; Y369-D410 HydrophobicContact CE2-CB 4.4Å; Y369-D410 PolarHBondContact OH-N 3.42Å; Y369-I411 HydrophobicContact CD1-CD1 4.09Å; Y369-I411 HydrophobicContact CE1-CD1 3.78Å; Y369-I411 HydrophobicContact CE1-CG1 4.27Å; Y369-W466 HydrophobicContact CD2-CB 4.4Å; Y369-W466 AromaticContact CD2-CD1 3.6Å; Y369-W466 HydrophobicContact CD2-CD2 4.05Å; Y369-W466 AromaticContact CD2-CG 3.78Å; Y369-W466 HydrophobicContact CD2-CG 3.78Å; Y369-W466 AromaticContact CD2-NE1 3.76Å; Y369-W466 AromaticContact CE2-CD1 3.96Å; Y369-W466 HydrophobicContact CE2-CG 4.43Å; Y369-F470 HydrophobicContact CD1-CE1 4.25Å; Y369-F470 HydrophobicContact CD1-CZ 4.37Å; Y369-F470 HydrophobicContact CD2-CE1 4.24Å; Y369-F470 AromaticContact CD2-CZ 3.83Å; Y369-F470 HydrophobicContact CD2-CZ 3.83Å; Y369-F470 HydrophobicContact CE1-CZ 4.42Å; Y369-F470 AromaticContact CE2-CZ 3.87Å; Y369-F470 HydrophobicContact CE2-CZ 3.87Å; Y369-F470 HydrophobicContact CG-CE1 4.03Å; Y369-F470 HydrophobicContact CG-CZ 4.07Å
370	L	98.9	Very high	98.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-40.1	175.9	-71.9	174.4	0	0	0	111.8	Y52 F363 L366 K367 A373 V374 L407	Y52-L370 HydrophobicContact CD1-CB 3.97Å; Y52-L370 HydrophobicContact CD1-CD1 4.44Å; Y52-L370 HydrophobicContact CE1-CB 3.87Å; F363-L370 HydrophobicContact CD2-CD1 4Å; F363-L370 HydrophobicContact CE2-CD1 3.69Å; F363-L370 HydrophobicContact CZ-CD1 4.44Å; L366-L370 HydrophobicContact CB-CD1 4.11Å; L366-L370 HydrophobicContact CB-CG 4.21Å; L366-L370 PolarHBondContact O-N 3.48Å; K367-L370 PolarHBondContact O-N 3.18Å; L370-A373 PolarHBondContact O-N 3.44Å; L370-V374 WeakPolarHBondContact O-CB 3.32Å; L370-V374 VanDerWaalsContact O-CG2 3.32Å; L370-V374 WeakPolarHBondContact O-CG2 3.48Å; L370-V374 PolarHBondContact O-N 3.12Å; L370-L407 HydrophobicContact CD2-CD1 3.83Å; L370-L407 HydrophobicContact CD2-CD2 4.02Å; L370-L407 HydrophobicContact CD2-CG 4.15Å
371	K	98.9	Very high	98.9	Very high	70 Å²	70	31.1 Å²	31.1	30%	0.304	17%	0.168	S	C	.	.	H	α-helix	trans	-64.9	-39	179.2	-162.6	-177.3	169	75.9	0	111.7	D49 Y52 K367 P368 Y369 V374 A375	D49-K371 WeakPolarHBondContact OD1-CE 3.41Å; D49-K371 IonicContact OD1-NZ 2.7Å; D49-K371 PolarHBondContact OD1-NZ 2.94Å; Y52-K371 HydrophobicContact CE2-CB 4.26Å; Y52-K371 HydrophobicContact CE2-CG 4.01Å; K367-K371 VanDerWaalsContact O-CB 3.26Å; K367-K371 WeakPolarHBondContact O-CB 3.28Å; K367-K371 PolarHBondContact O-N 3.08Å; P368-K371 PolarHBondContact O-N 2.88Å; Y369-K371 VanDerWaalsContact C-N 3.31Å; Y369-K371 PolarHBondContact O-N 3.31Å; K371-V374 PolarHBondContact O-N 3.15Å; K371-A375 WeakPolarHBondContact O-CB 3.19Å; K371-A375 PolarHBondContact O-N 2.81Å
372	E	98.9	Very high	98.9	Very high	81 Å²	81	30.2 Å²	30.2	38%	0.379	16%	0.162	S	C	.	.	H	α-helix	trans	-62.8	-47	171.4	-177.9	-176.7	79.7	0	0	111.8	P368 Y369 V374 A375 L376 W466	P368-E372 PolarHBondContact O-N 2.81Å; P368-E372 VanDerWaalsContact O-N 3.12Å; Y369-E372 PolarHBondContact O-N 3.2Å; E372-V374 VanDerWaalsContact C-N 3.3Å; E372-V374 PolarHBondContact O-N 3.14Å; E372-A375 PolarHBondContact O-N 3.27Å; E372-L376 HydrophobicContact CG-CD1 4.45Å; E372-L376 WeakPolarHBondContact O-CG 3.15Å; E372-L376 PolarHBondContact O-N 3.18Å; E372-W466 HydrophobicContact CB-CZ2 4.44Å; E372-W466 PolarHBondContact OE1-NE1 2.71Å
373	A	98.9	Very high	98.9	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.025	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-39.6	178.5	0	0	0	0	0	112.3	Y369 L370 L376 N377 V384	Y369-A373 PolarHBondContact O-N 2.81Å; L370-A373 PolarHBondContact O-N 3.44Å; A373-L376 PolarHBondContact O-N 3.27Å; A373-N377 PolarHBondContact O-N 3.13Å; A373-V384 HydrophobicContact CB-CG1 4.29Å; A373-V384 HydrophobicContact CB-CG2 4.41Å
374	V	98.9	Very high	98.9	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-68	-38.9	175.6	167.9	0	0	0	0	111.7	E46 L47 Y52 L298 L370 K371 E372 L376 N377 A378 V384	E46-V374 HydrophobicContact CB-CG1 4.47Å; L47-V374 HydrophobicContact CB-CG1 4.17Å; L47-V374 HydrophobicContact CD1-CG1 4.3Å; L47-V374 HydrophobicContact CD1-CG2 3.89Å; L47-V374 HydrophobicContact CG-CG1 3.83Å; L47-V374 HydrophobicContact CG-CG2 4.34Å; Y52-V374 HydrophobicContact CE1-CG2 4.37Å; Y52-V374 VanDerWaalsContact OH-CB 3.28Å; Y52-V374 WeakPolarHBondContact OH-CB 3.45Å; Y52-V374 WeakPolarHBondContact OH-CG1 3.38Å; Y52-V374 WeakPolarHBondContact OH-CG2 3.29Å; L298-V374 HydrophobicContact CD2-CG1 4.3Å; L298-V374 HydrophobicContact CD2-CG2 3.89Å; L370-V374 WeakPolarHBondContact O-CB 3.32Å; L370-V374 VanDerWaalsContact O-CG2 3.32Å; L370-V374 WeakPolarHBondContact O-CG2 3.48Å; L370-V374 PolarHBondContact O-N 3.12Å; K371-V374 PolarHBondContact O-N 3.15Å; E372-V374 VanDerWaalsContact C-N 3.3Å; E372-V374 PolarHBondContact O-N 3.14Å; V374-L376 VanDerWaalsContact C-N 3.33Å; V374-L376 PolarHBondContact O-N 2.98Å; V374-N377 WeakPolarHBondContact O-CB 3.5Å; V374-N377 PolarHBondContact O-N 3Å; V374-A378 PolarHBondContact O-N 2.74Å; V374-V384 HydrophobicContact CG2-CG2 3.72Å
375	A	98.9	Very high	98.9	Very high	31 Å²	31	29.1 Å²	29.1	26%	0.256	16%	0.155	S	C	.	.	H	α-helix	trans	-63.2	-39.2	173.8	0	0	0	0	0	111.7	K371 E372 A378 K379	K371-A375 WeakPolarHBondContact O-CB 3.19Å; K371-A375 PolarHBondContact O-N 2.81Å; E372-A375 PolarHBondContact O-N 3.27Å; A375-A378 PolarHBondContact O-N 3.07Å; A375-K379 WeakPolarHBondContact O-CB 3.38Å; A375-K379 PolarHBondContact O-N 3.38Å
376	L	98.9	Very high	98.9	Very high	59 Å²	59	27.7 Å²	27.7	31%	0.309	15%	0.145	S	C	.	.	H	α-helix	trans	-63.5	-40.4	172.4	-70.2	170.9	0	0	0	112.1	E372 A373 V374 K379 S380 L382	E372-L376 HydrophobicContact CG-CD1 4.45Å; E372-L376 WeakPolarHBondContact O-CG 3.15Å; E372-L376 PolarHBondContact O-N 3.18Å; A373-L376 PolarHBondContact O-N 3.27Å; V374-L376 VanDerWaalsContact C-N 3.33Å; V374-L376 PolarHBondContact O-N 2.98Å; L376-K379 PolarHBondContact O-N 3.3Å; L376-S380 PolarHBondContact O-N 2.72Å; L376-S380 PolarHBondContact O-OG 3.41Å; L376-L382 HydrophobicContact CD1-CD2 4.45Å
377	N	99	Very high	98.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.1	-50.5	174.1	179.7	74.2	0	0	0	111.7	Q44 G297 A373 V374 K379 G381 L382 V384	Q44-N377 PolarHBondContact OE1-ND2 3.3Å; Q44-N377 PolarHBondContact OE1-OD1 3.11Å; G297-N377 VanDerWaalsContact CA-OD1 3.28Å; G297-N377 WeakPolarHBondContact CA-OD1 3.34Å; A373-N377 PolarHBondContact O-N 3.13Å; V374-N377 WeakPolarHBondContact O-CB 3.5Å; V374-N377 PolarHBondContact O-N 3Å; N377-K379 VanDerWaalsContact C-N 3.32Å; N377-K379 PolarHBondContact O-N 3.28Å; N377-G381 WeakPolarHBondContact O-CA 3.24Å; N377-G381 PolarHBondContact O-N 3.34Å; N377-L382 WeakPolarHBondContact CA-O 3.43Å; N377-L382 WeakPolarHBondContact CB-O 3.2Å; N377-L382 PolarHBondContact N-O 3.32Å; N377-V384 HydrophobicContact CB-CG2 4.35Å
378	A	98.8	Very high	98.9	Very high	24 Å²	24	26.2 Å²	26.2	20%	0.198	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-39	178.7	0	0	0	0	0	112.2	R43 Q44 E46 V374 A375	R43-A378 VanDerWaalsContact CD-O 3.31Å; R43-A378 WeakPolarHBondContact CD-O 3.39Å; Q44-A378 VanDerWaalsContact O-CA 3.32Å; Q44-A378 WeakPolarHBondContact O-CA 3.41Å; Q44-A378 VanDerWaalsContact O-CB 3.31Å; Q44-A378 WeakPolarHBondContact O-CB 3.12Å; E46-A378 HydrophobicContact CG-CB 3.85Å; V374-A378 PolarHBondContact O-N 2.74Å; A375-A378 PolarHBondContact O-N 3.07Å
379	K	98.9	Very high	98.9	Very high	158 Å²	158	24.9 Å²	24.9	69%	0.687	13%	0.128	S	C	*	.	H	α-helix	trans	-71.7	-48.3	-177	-178.2	179.3	177	-178.3	0	113	R43 A375 L376 N377	R43-K379 PolarHBondContact NH1-O 3.47Å; A375-K379 WeakPolarHBondContact O-CB 3.38Å; A375-K379 PolarHBondContact O-N 3.38Å; L376-K379 PolarHBondContact O-N 3.3Å; N377-K379 VanDerWaalsContact C-N 3.32Å; N377-K379 PolarHBondContact O-N 3.28Å
380	S	98.9	Very high	98.9	Very high	23 Å²	23	24.9 Å²	24.9	16%	0.161	13%	0.128	C	C	.	.	H	α-helix	trans	-134	6.6	-167.8	68.5	0	0	0	0	114.3	E35 L376 L382	E35-S380 VanDerWaalsContact CA-O 3.25Å; E35-S380 WeakPolarHBondContact CA-O 3.4Å; L376-S380 PolarHBondContact O-N 2.72Å; L376-S380 PolarHBondContact O-OG 3.41Å; S380-L382 VanDerWaalsContact C-N 3.25Å; S380-L382 PolarHBondContact O-N 3.08Å
381	G	98.8	Very high	98.9	Very high	2 Å²	2	26.7 Å²	26.7	2%	0.021	14%	0.136	C	C	.	.			trans	72.3	15.4	-179.4	0	0	0	0	0	114.5	N377 P383	N377-G381 WeakPolarHBondContact O-CA 3.24Å; N377-G381 PolarHBondContact O-N 3.34Å; G381-P383 VanDerWaalsContact O-CD 3.25Å; G381-P383 WeakPolarHBondContact O-CD 3.4Å
382	L	98.9	Very high	98.9	Very high	17 Å²	17	24.1 Å²	24.1	9%	0.089	13%	0.125	C	C	.	.			trans	-77.4	109.8	175.7	180	65.2	0	0	0	109.1	I31 L376 N377 S380 L390	I31-L382 HydrophobicContact CG1-CD1 4.09Å; I31-L382 HydrophobicContact CG2-CD1 4.25Å; L376-L382 HydrophobicContact CD1-CD2 4.45Å; N377-L382 WeakPolarHBondContact CA-O 3.43Å; N377-L382 WeakPolarHBondContact CB-O 3.2Å; N377-L382 PolarHBondContact N-O 3.32Å; S380-L382 VanDerWaalsContact C-N 3.25Å; S380-L382 PolarHBondContact O-N 3.08Å; L382-L390 HydrophobicContact CD1-CD1 4.37Å
383	P	99	Very high	98.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	12%	0.121	C	C	.	.			trans	-66.5	158.8	-168.1	25.4	-34.2	0	0	0	112.7	L34 A292 G297 G381 R386 L390	L34-P383 HydrophobicContact CD1-CG 4.15Å; A292-P383 HydrophobicContact CB-CB 3.64Å; A292-P383 HydrophobicContact CB-CG 3.68Å; G297-P383 VanDerWaalsContact CA-CB 3.49Å; G381-P383 VanDerWaalsContact O-CD 3.25Å; G381-P383 WeakPolarHBondContact O-CD 3.4Å; P383-R386 HydrophobicContact CG-CG 4.28Å; P383-R386 WeakPolarHBondContact O-CD 3.26Å; P383-R386 WeakPolarHBondContact O-CG 2.96Å; P383-R386 PolarHBondContact O-NE 2.92Å; P383-L390 HydrophobicContact CG-CD1 4.25Å
384	V	98.9	Very high	98.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-76.2	-45.4	-179.5	178.4	0	0	0	0	111.2	G297 L298 P330 A373 V374 N377 L407 G408	G297-V384 WeakPolarHBondContact O-CB 3.42Å; G297-V384 PolarHBondContact O-N 3.06Å; G297-V384 VanDerWaalsContact O-N 3.08Å; L298-V384 HydrophobicContact CD2-CG2 3.8Å; P330-V384 HydrophobicContact CB-CG1 4.27Å; P330-V384 HydrophobicContact CG-CG1 4.38Å; A373-V384 HydrophobicContact CB-CG1 4.29Å; A373-V384 HydrophobicContact CB-CG2 4.41Å; V374-V384 HydrophobicContact CG2-CG2 3.72Å; N377-V384 HydrophobicContact CB-CG2 4.35Å; V384-L407 HydrophobicContact CG1-CD1 3.78Å; V384-G408 PolarHBondContact O-N 2.84Å
385	M	99	Very high	98.9	Very high	6 Å²	6	32 Å²	32	3%	0.03	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.2	169.9	-63.7	170.1	67.1	0	0	108.4	A288 F325 T329 Y405 L406	A288-M385 HydrophobicContact CB-CE 3.53Å; A288-M385 HydrophobicContact CB-SD 3.92Å; F325-M385 HydrophobicContact CE2-CE 4.17Å; F325-M385 HydrophobicContact CZ-CE 4.31Å; T329-M385 HydrophobicContact CG2-CE 4.29Å; T329-M385 HydrophobicContact CG2-SD 4Å; M385-Y405 HydrophobicContact CB-CD2 3.99Å; M385-Y405 HydrophobicContact CB-CE2 4.44Å; M385-Y405 HydrophobicContact CE-CD1 4.1Å; M385-Y405 HydrophobicContact CE-CD2 4.03Å; M385-Y405 HydrophobicContact CE-CE1 3.93Å; M385-Y405 HydrophobicContact CE-CE2 3.85Å; M385-Y405 HydrophobicContact CE-CG 4.16Å; M385-Y405 HydrophobicContact CG-CD2 3.98Å; M385-Y405 HydrophobicContact CG-CE2 3.92Å; M385-L406 CarbonylContact C-O 3.54Å
386	R	98.9	Very high	98.9	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.4	-165.1	-58	-176.5	-171.2	162	-2.2	111.2	P383 L390 H391 L406 G408 R409	P383-R386 HydrophobicContact CG-CG 4.28Å; P383-R386 WeakPolarHBondContact O-CD 3.26Å; P383-R386 WeakPolarHBondContact O-CG 2.96Å; P383-R386 PolarHBondContact O-NE 2.92Å; R386-L390 HydrophobicContact CB-CD1 4.05Å; R386-L390 HydrophobicContact CG-CD1 4.3Å; R386-H391 VanDerWaalsContact CD-NE2 3.34Å; R386-H391 WeakPolarHBondContact CD-NE2 3.28Å; R386-H391 PolarHBondContact NH1-NE2 3.41Å; R386-L406 HydrophobicContact CB-CB 4.13Å; R386-L406 PolarHBondContact N-O 2.89Å; R386-L406 PolarHBondContact O-N 2.88Å; R386-G408 VanDerWaalsContact CD-O 3.26Å; R386-G408 WeakPolarHBondContact CD-O 3.29Å; R386-G408 VanDerWaalsContact CZ-C 3.4Å; R386-G408 PolarHBondContact NE-O 3.46Å; R386-G408 PolarHBondContact NH1-O 3.19Å; R386-G408 VanDerWaalsContact NH1-O 3.15Å; R386-R409 VanDerWaalsContact NH1-N 3.12Å
387	P	98.9	Very high	98.9	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.032	19%	0.19	C	C	.	.			trans	-57.7	143.3	162.4	-20.3	31.7	0	0	0	110	L289 M293 F389 L390	L289-P387 HydrophobicContact CB-CG 4.37Å; L289-P387 HydrophobicContact CD2-CG 4.05Å; M293-P387 HydrophobicContact CG-CG 4.02Å; M293-P387 HydrophobicContact SD-CG 3.82Å; P387-F389 VanDerWaalsContact C-N 3.27Å; P387-F389 HydrophobicContact CB-CD1 3.65Å; P387-F389 HydrophobicContact CB-CD2 4.49Å; P387-F389 HydrophobicContact CB-CE1 3.27Å; P387-F389 HydrophobicContact CB-CE2 4.15Å; P387-F389 HydrophobicContact CB-CG 4.25Å; P387-F389 HydrophobicContact CB-CZ 3.54Å; P387-F389 HydrophobicContact CG-CE1 4.01Å; P387-F389 HydrophobicContact CG-CZ 3.86Å; P387-F389 PolarHBondContact O-N 3.12Å; P387-L390 WeakPolarHBondContact O-CB 3.46Å; P387-L390 PolarHBondContact O-N 3.08Å
388	L	98.9	Very high	98.9	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.016	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-61.6	-37.7	-176.8	-90	64.5	0	0	0	111.9	L390 H391 Y392 T398 L401 Q404 L406 L412 P429	L388-L390 PolarHBondContact O-N 2.96Å; L388-H391 PolarHBondContact O-N 2.86Å; L388-Y392 WeakPolarHBondContact O-CD2 3.46Å; L388-Y392 PolarHBondContact O-N 3.14Å; L388-T398 HydrophobicContact CB-CG2 3.83Å; L388-T398 HydrophobicContact CD2-CG2 4.33Å; L388-L401 HydrophobicContact CD2-CD1 3.71Å; L388-Q404 HydrophobicContact CD1-CG 4.47Å; L388-Q404 VanDerWaalsContact CD2-NE2 3.28Å; L388-L406 HydrophobicContact CD1-CG 4Å; L388-L406 HydrophobicContact CG-CD1 4.44Å; L388-L406 HydrophobicContact CG-CD2 4.49Å; L388-L406 HydrophobicContact CG-CG 4.05Å; L388-L412 HydrophobicContact CD2-CD1 3.91Å; L388-P429 HydrophobicContact CD2-CG 4.32Å
389	F	98.9	Very high	98.9	Very high	30 Å²	30	39 Å²	39	13%	0.132	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-60	-17.1	-179.7	64.7	-106.2	0	0	0	113.6	Y30 M293 P387 H391 E393 T398 Y399	Y30-F389 HydrophobicContact CD1-CD2 4.5Å; Y30-F389 HydrophobicContact CD1-CE2 4.12Å; Y30-F389 AromaticContact CD2-CD2 3.75Å; Y30-F389 HydrophobicContact CD2-CD2 3.75Å; Y30-F389 HydrophobicContact CD2-CE2 4.18Å; Y30-F389 HydrophobicContact CE1-CE2 4.44Å; Y30-F389 HydrophobicContact CE2-CD2 4Å; Y30-F389 HydrophobicContact CE2-CE2 4.5Å; Y30-F389 HydrophobicContact CG-CD2 4.04Å; Y30-F389 AromaticContact CG-CE2 3.99Å; Y30-F389 HydrophobicContact CG-CE2 3.99Å; M293-F389 HydrophobicContact CE-CE2 3.87Å; M293-F389 HydrophobicContact CE-CZ 3.91Å; M293-F389 HydrophobicContact CG-CZ 4.3Å; M293-F389 HydrophobicContact SD-CE2 4.05Å; M293-F389 HydrophobicContact SD-CZ 3.82Å; P387-F389 VanDerWaalsContact C-N 3.27Å; P387-F389 HydrophobicContact CB-CD1 3.65Å; P387-F389 HydrophobicContact CB-CD2 4.49Å; P387-F389 HydrophobicContact CB-CE1 3.27Å; P387-F389 HydrophobicContact CB-CE2 4.15Å; P387-F389 HydrophobicContact CB-CG 4.25Å; P387-F389 HydrophobicContact CB-CZ 3.54Å; P387-F389 HydrophobicContact CG-CE1 4.01Å; P387-F389 HydrophobicContact CG-CZ 3.86Å; P387-F389 PolarHBondContact O-N 3.12Å; F389-H391 PolarHBondContact O-N 2.73Å; F389-E393 WeakPolarHBondContact O-CA 3.36Å; F389-E393 WeakPolarHBondContact O-CG 3.27Å; F389-E393 PolarHBondContact O-N 3Å; F389-T398 WeakPolarHBondContact CA-OG1 3.39Å; F389-T398 WeakPolarHBondContact CB-OG1 3.3Å; F389-Y399 HydrophobicContact CB-CD1 4.09Å; F389-Y399 HydrophobicContact CB-CD2 4.27Å; F389-Y399 HydrophobicContact CB-CE1 3.83Å; F389-Y399 HydrophobicContact CB-CE2 4.03Å; F389-Y399 HydrophobicContact CB-CG 4.31Å; F389-Y399 HydrophobicContact CD1-CD1 4.17Å; F389-Y399 HydrophobicContact CD2-CE1 4.24Å; F389-Y399 HydrophobicContact CG-CD1 4.08Å; F389-Y399 AromaticContact CG-CE1 3.97Å; F389-Y399 HydrophobicContact CG-CE1 3.97Å
390	L	98.9	Very high	98.9	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61.5	-26.3	173.7	-67.3	-166.6	0	0	0	113	Y30 I31 L34 M293 L382 P383 R386 P387 L388	Y30-L390 HydrophobicContact CG-CD2 4.24Å; I31-L390 WeakPolarHBondContact CD1-O 3.47Å; I31-L390 HydrophobicContact CG1-CB 4.44Å; L34-L390 HydrophobicContact CD1-CD1 3.85Å; L34-L390 HydrophobicContact CD1-CD2 4.1Å; M293-L390 HydrophobicContact SD-CD2 4.19Å; L382-L390 HydrophobicContact CD1-CD1 4.37Å; P383-L390 HydrophobicContact CG-CD1 4.25Å; R386-L390 HydrophobicContact CB-CD1 4.05Å; R386-L390 HydrophobicContact CG-CD1 4.3Å; P387-L390 WeakPolarHBondContact O-CB 3.46Å; P387-L390 PolarHBondContact O-N 3.08Å; L388-L390 PolarHBondContact O-N 2.96Å
391	H	98.9	Very high	98.9	Very high	39 Å²	39	37 Å²	37	18%	0.181	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-6	-175.6	-65.7	-67.9	0	0	0	113.7	R386 L388 F389 L406 R409	R386-H391 VanDerWaalsContact CD-NE2 3.34Å; R386-H391 WeakPolarHBondContact CD-NE2 3.28Å; R386-H391 PolarHBondContact NH1-NE2 3.41Å; L388-H391 PolarHBondContact O-N 2.86Å; F389-H391 PolarHBondContact O-N 2.73Å; H391-L406 HydrophobicContact CB-CD1 4.05Å; H391-R409 VanDerWaalsContact CG-CD 3.44Å; H391-R409 WeakPolarHBondContact ND1-CD 3.31Å
392	Y	98.9	Very high	98.9	Very high	15 Å²	15	41.9 Å²	41.9	6%	0.059	22%	0.218	C	C	.	.			trans	-136.6	53.8	-178.3	-58.8	-81.6	0	0	0	108.9	L388 D394 D395 L406 R409 P429 D431 W433	L388-Y392 WeakPolarHBondContact O-CD2 3.46Å; L388-Y392 PolarHBondContact O-N 3.14Å; Y392-D394 PolarHBondContact O-N 2.83Å; Y392-D395 WeakPolarHBondContact O-CB 3.48Å; Y392-D395 PolarHBondContact O-N 3.41Å; Y392-D395 VanDerWaalsContact O-N 3.1Å; Y392-L406 HydrophobicContact CD2-CD1 4.27Å; Y392-L406 HydrophobicContact CE2-CD1 3.93Å; Y392-R409 PolarHBondContact OH-NH1 3.1Å; Y392-R409 PolarHBondContact OH-NH2 2.97Å; Y392-P429 HydrophobicContact CD1-CB 3.59Å; Y392-P429 HydrophobicContact CD1-CG 3.84Å; Y392-P429 HydrophobicContact CD2-CB 3.96Å; Y392-P429 HydrophobicContact CD2-CG 3.54Å; Y392-P429 HydrophobicContact CE1-CB 3.98Å; Y392-P429 HydrophobicContact CE1-CG 3.81Å; Y392-P429 HydrophobicContact CE2-CB 4.32Å; Y392-P429 HydrophobicContact CE2-CG 3.52Å; Y392-P429 HydrophobicContact CG-CB 3.59Å; Y392-P429 HydrophobicContact CG-CG 3.73Å; Y392-D431 HydrophobicContact CE1-CB 4.25Å; Y392-D431 PolarHBondContact OH-OD2 2.76Å; Y392-W433 HydrophobicContact CE2-CZ2 4.27Å; Y392-W433 AromaticContact CZ-CZ2 3.91Å; Y392-W433 VanDerWaalsContact OH-CZ2 3.29Å; Y392-W433 WeakPolarHBondContact OH-CZ2 3.24Å
393	E	98.8	Very high	98.9	Very high	65 Å²	65	43.7 Å²	43.7	30%	0.304	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.6	-171.2	-72	-170.3	176.2	0	0	113.8	T29 Y30 F389 D395 Y399	T29-E393 WeakPolarHBondContact CA-OE1 3.45Å; T29-E393 WeakPolarHBondContact CB-OE1 3.45Å; Y30-E393 HydrophobicContact CD2-CG 3.86Å; Y30-E393 WeakPolarHBondContact CD2-OE1 3.27Å; Y30-E393 HydrophobicContact CE2-CG 4.26Å; Y30-E393 PolarHBondContact N-OE1 3.37Å; F389-E393 WeakPolarHBondContact O-CA 3.36Å; F389-E393 WeakPolarHBondContact O-CG 3.27Å; F389-E393 PolarHBondContact O-N 3Å; E393-D395 VanDerWaalsContact C-N 3.34Å; E393-Y399 WeakPolarHBondContact O-CE2 3.4Å; E393-Y399 PolarHBondContact O-OH 3.26Å
394	D	98.8	Very high	98.9	Very high	158 Å²	158	44.3 Å²	44.3	85%	0.845	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.8	179.1	60.2	-29.2	0	0	0	113.8	Y392	Y392-D394 PolarHBondContact O-N 2.83Å
395	D	98.8	Very high	98.9	Very high	27 Å²	27	44.3 Å²	44.3	14%	0.144	23%	0.227	C	C	.	.			trans	-94.5	101.6	178.9	-172.9	-21.6	0	0	0	111.6	Y392 E393 H397 T398 Y399 Y427	Y392-D395 WeakPolarHBondContact O-CB 3.48Å; Y392-D395 PolarHBondContact O-N 3.41Å; Y392-D395 VanDerWaalsContact O-N 3.1Å; E393-D395 VanDerWaalsContact C-N 3.34Å; D395-H397 PolarHBondContact O-N 2.8Å; D395-H397 VanDerWaalsContact O-N 3.17Å; D395-H397 WeakPolarHBondContact OD1-CB 3.13Å; D395-H397 PolarHBondContact OD1-N 2.79Å; D395-T398 HydrophobicContact CB-CG2 3.77Å; D395-T398 PolarHBondContact O-N 2.61Å; D395-T398 VanDerWaalsContact O-N 3.13Å; D395-T398 PolarHBondContact O-OG1 3.06Å; D395-Y399 WeakPolarHBondContact O-CD2 3.33Å; D395-Y399 WeakPolarHBondContact O-CE2 3.39Å; D395-Y427 PolarHBondContact OD1-OH 3.03Å; D395-Y427 VanDerWaalsContact OD2-CE1 3.25Å; D395-Y427 WeakPolarHBondContact OD2-CE1 3.31Å; D395-Y427 PolarHBondContact OD2-OH 2.98Å
396	A	98.8	Very high	98.9	Very high	80 Å²	80	44 Å²	44	66%	0.661	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-58.9	-28.6	-178.5	0	0	0	0	0	113.9	T398	A396-T398 VanDerWaalsContact C-N 3.28Å; A396-T398 PolarHBondContact O-N 2.89Å
397	H	98.8	Very high	98.9	Very high	84 Å²	84	43.8 Å²	43.8	39%	0.389	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-71.1	-28.7	-178.4	-166.1	76.9	0	0	0	111.5	D395 Y399 T400 Y427	D395-H397 PolarHBondContact O-N 2.8Å; D395-H397 VanDerWaalsContact O-N 3.17Å; D395-H397 WeakPolarHBondContact OD1-CB 3.13Å; D395-H397 PolarHBondContact OD1-N 2.79Å; H397-Y399 PolarHBondContact O-N 2.99Å; H397-T400 PolarHBondContact O-N 3.44Å; H397-T400 PolarHBondContact O-OG1 3Å; H397-T400 VanDerWaalsContact O-OG1 3.13Å; H397-Y427 HydrophobicContact CB-CE1 4.23Å; H397-Y427 HydrophobicContact CB-CE2 4.34Å; H397-Y427 AromaticContact CD2-CD1 3.68Å; H397-Y427 AromaticContact CD2-CD2 3.45Å; H397-Y427 VanDerWaalsContact CD2-CD2 3.45Å; H397-Y427 WeakPolarHBondContact CD2-CD2 3.27Å; H397-Y427 AromaticContact CD2-CE2 3.81Å; H397-Y427 AromaticContact CD2-CG 3.37Å; H397-Y427 AromaticContact NE2-CD2 3.9Å; H397-Y427 AromaticContact NE2-CG 3.95Å
398	T	98.9	Very high	98.9	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.018	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-67.6	-18.8	-176.7	66.2	0	0	0	0	114.2	L388 F389 D395 A396 T400 Y427 P429	L388-T398 HydrophobicContact CB-CG2 3.83Å; L388-T398 HydrophobicContact CD2-CG2 4.33Å; F389-T398 WeakPolarHBondContact CA-OG1 3.39Å; F389-T398 WeakPolarHBondContact CB-OG1 3.3Å; D395-T398 HydrophobicContact CB-CG2 3.77Å; D395-T398 PolarHBondContact O-N 2.61Å; D395-T398 VanDerWaalsContact O-N 3.13Å; D395-T398 PolarHBondContact O-OG1 3.06Å; A396-T398 VanDerWaalsContact C-N 3.28Å; A396-T398 PolarHBondContact O-N 2.89Å; T398-T400 VanDerWaalsContact C-N 3.34Å; T398-Y427 HydrophobicContact CG2-CE1 4.17Å; T398-P429 HydrophobicContact CG2-CB 4.39Å
399	Y	98.8	Very high	98.9	Very high	96 Å²	96	46.6 Å²	46.6	38%	0.376	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-77.5	-15.8	-179.6	-68.8	-92.7	0	0	0	114	Y30 F389 E393 D395 H397	Y30-Y399 AromaticContact CE2-CE1 3.84Å; Y30-Y399 HydrophobicContact CE2-CE1 3.84Å; Y30-Y399 WeakPolarHBondContact CE2-OH 3.15Å; Y30-Y399 AromaticContact CZ-CE1 3.88Å; Y30-Y399 WeakPolarHBondContact OH-CE1 3.42Å; F389-Y399 HydrophobicContact CB-CD1 4.09Å; F389-Y399 HydrophobicContact CB-CD2 4.27Å; F389-Y399 HydrophobicContact CB-CE1 3.83Å; F389-Y399 HydrophobicContact CB-CE2 4.03Å; F389-Y399 HydrophobicContact CB-CG 4.31Å; F389-Y399 HydrophobicContact CD1-CD1 4.17Å; F389-Y399 HydrophobicContact CD2-CE1 4.24Å; F389-Y399 HydrophobicContact CG-CD1 4.08Å; F389-Y399 AromaticContact CG-CE1 3.97Å; F389-Y399 HydrophobicContact CG-CE1 3.97Å; E393-Y399 WeakPolarHBondContact O-CE2 3.4Å; E393-Y399 PolarHBondContact O-OH 3.26Å; D395-Y399 WeakPolarHBondContact O-CD2 3.33Å; D395-Y399 WeakPolarHBondContact O-CE2 3.39Å; H397-Y399 PolarHBondContact O-N 2.99Å
400	T	98.8	Very high	98.9	Very high	101 Å²	101	45.4 Å²	45.4	62%	0.62	23%	0.23	S	C	*	.	S	Bend	trans	-105.7	-4.1	-178.1	61.9	0	0	0	0	113.5	H397 T398	H397-T400 PolarHBondContact O-N 3.44Å; H397-T400 PolarHBondContact O-OG1 3Å; H397-T400 VanDerWaalsContact O-OG1 3.13Å; T398-T400 VanDerWaalsContact C-N 3.34Å
401	L	98.8	Very high	98.9	Very high	38 Å²	38	45.3 Å²	45.3	20%	0.199	23%	0.23	C	C	.	.			trans	-71.8	135.6	-178.5	-63.4	171.8	0	0	0	111.3	L388 Q404 Y427	L388-L401 HydrophobicContact CD2-CD1 3.71Å; L401-Q404 HydrophobicContact CB-CG 4.12Å; L401-Q404 HydrophobicContact CD1-CG 3.93Å; L401-Q404 HydrophobicContact CD2-CG 4.28Å; L401-Q404 HydrophobicContact CG-CG 4.35Å; L401-Y427 HydrophobicContact CD1-CD1 4.18Å
402	K	98.9	Very high	98.9	Very high	104 Å²	104	43.5 Å²	43.5	45%	0.452	22%	0.221	S	C	.	.			trans	-116.4	-30.3	179.5	-65.9	-177.3	71.2	-163.1	0	114.5	V285	V285-K402 VanDerWaalsContact CG1-O 3.28Å; V285-K402 WeakPolarHBondContact CG1-O 3.04Å
403	Y	98.9	Very high	98.9	Very high	55 Å²	55	42.9 Å²	42.9	22%	0.216	22%	0.219	C	C	.	.	S	Bend	trans	-118.8	21.2	-164.9	-50.2	-56.1	0	0	0	113.4	L277 A282 P286 P415 H417	L277-Y403 HydrophobicContact CD2-CE2 4.3Å; A282-Y403 HydrophobicContact CB-CD1 4.21Å; A282-Y403 HydrophobicContact CB-CE1 4.22Å; P286-Y403 HydrophobicContact CG-CE1 4.23Å; Y403-P415 WeakPolarHBondContact O-CD 3.43Å; Y403-H417 AromaticContact CD2-NE2 3.87Å; Y403-H417 AromaticContact CG-NE2 3.97Å
404	Q	98.9	Very high	98.9	Very high	13 Å²	13	39.9 Å²	39.9	6%	0.061	21%	0.205	C	C	.	.			trans	-142.5	153.7	171.5	59.3	178.6	84.6	0	0	110.5	L388 L401 V413 A414 Y427	L388-Q404 HydrophobicContact CD1-CG 4.47Å; L388-Q404 VanDerWaalsContact CD2-NE2 3.28Å; L401-Q404 HydrophobicContact CB-CG 4.12Å; L401-Q404 HydrophobicContact CD1-CG 3.93Å; L401-Q404 HydrophobicContact CD2-CG 4.28Å; L401-Q404 HydrophobicContact CG-CG 4.35Å; Q404-V413 VanDerWaalsContact CA-O 3.26Å; Q404-V413 WeakPolarHBondContact CA-O 3.33Å; Q404-V413 WeakPolarHBondContact CB-O 3.44Å; Q404-A414 HydrophobicContact CB-CB 3.83Å; Q404-Y427 PolarHBondContact NE2-O 3.33Å; Q404-Y427 VanDerWaalsContact OE1-N 3.15Å
405	Y	99	Very high	98.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	163	-175	62.9	-83.2	0	0	0	111.1	V285 F325 F328 M385 L407 V413 P415	V285-Y405 HydrophobicContact CG1-CD1 4.01Å; F325-Y405 HydrophobicContact CD2-CE1 4.25Å; F325-Y405 AromaticContact CE2-CE1 3.71Å; F325-Y405 HydrophobicContact CE2-CE1 3.71Å; F325-Y405 AromaticContact CE2-CZ 3.9Å; F325-Y405 WeakPolarHBondContact CE2-OH 3.45Å; F328-Y405 PolarHBondContact O-OH 2.93Å; M385-Y405 HydrophobicContact CB-CD2 3.99Å; M385-Y405 HydrophobicContact CB-CE2 4.44Å; M385-Y405 HydrophobicContact CE-CD1 4.1Å; M385-Y405 HydrophobicContact CE-CD2 4.03Å; M385-Y405 HydrophobicContact CE-CE1 3.93Å; M385-Y405 HydrophobicContact CE-CE2 3.85Å; M385-Y405 HydrophobicContact CE-CG 4.16Å; M385-Y405 HydrophobicContact CG-CD2 3.98Å; M385-Y405 HydrophobicContact CG-CE2 3.92Å; Y405-L407 HydrophobicContact CD2-CB 4.48Å; Y405-L407 HydrophobicContact CE2-CB 4.06Å; Y405-V413 HydrophobicContact CD1-CB 4.25Å; Y405-V413 HydrophobicContact CD2-CB 4.44Å; Y405-V413 HydrophobicContact CE1-CB 3.72Å; Y405-V413 HydrophobicContact CE1-CG1 3.82Å; Y405-V413 HydrophobicContact CE2-CB 3.93Å; Y405-V413 HydrophobicContact CE2-CG2 3.9Å; Y405-V413 PolarHBondContact N-O 3.42Å; Y405-V413 PolarHBondContact O-N 3.02Å; Y405-V413 WeakPolarHBondContact OH-CG1 3.35Å; Y405-P415 HydrophobicContact CE1-CG 3.98Å
406	L	99	Very high	98.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.2	163.7	-65	170.1	0	0	0	109	M385 R386 L388 H391 Y392 I411 L412 W433	M385-L406 CarbonylContact C-O 3.54Å; R386-L406 HydrophobicContact CB-CB 4.13Å; R386-L406 PolarHBondContact N-O 2.89Å; R386-L406 PolarHBondContact O-N 2.88Å; L388-L406 HydrophobicContact CD1-CG 4Å; L388-L406 HydrophobicContact CG-CD1 4.44Å; L388-L406 HydrophobicContact CG-CD2 4.49Å; L388-L406 HydrophobicContact CG-CG 4.05Å; H391-L406 HydrophobicContact CB-CD1 4.05Å; Y392-L406 HydrophobicContact CD2-CD1 4.27Å; Y392-L406 HydrophobicContact CE2-CD1 3.93Å; L406-I411 CarbonylContact C-O 3.55Å; L406-I411 WeakPolarHBondContact CA-O 3.4Å; L406-L412 HydrophobicContact CD2-CB 3.82Å; L406-L412 HydrophobicContact CD2-CD1 4.34Å; L406-L412 HydrophobicContact CD2-CG 4.24Å; L406-W433 HydrophobicContact CD2-CH2 3.95Å
407	L	99	Very high	98.9	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	108.9	166.3	178.3	65	0	0	0	107.8	F328 Y369 L370 V384 Y405 I411 V413	F328-L407 HydrophobicContact CB-CD2 4.02Å; F328-L407 HydrophobicContact CD1-CD2 4.15Å; F328-L407 WeakPolarHBondContact O-CD1 3.27Å; F328-L407 WeakPolarHBondContact O-CD2 3.41Å; Y369-L407 HydrophobicContact CE1-CG 4.34Å; Y369-L407 WeakPolarHBondContact CE1-O 3.49Å; Y369-L407 PolarHBondContact OH-O 3.21Å; L370-L407 HydrophobicContact CD2-CD1 3.83Å; L370-L407 HydrophobicContact CD2-CD2 4.02Å; L370-L407 HydrophobicContact CD2-CG 4.15Å; V384-L407 HydrophobicContact CG1-CD1 3.78Å; Y405-L407 HydrophobicContact CD2-CB 4.48Å; Y405-L407 HydrophobicContact CE2-CB 4.06Å; L407-I411 HydrophobicContact CB-CB 4.14Å; L407-I411 HydrophobicContact CB-CG2 4.18Å; L407-I411 HydrophobicContact CD2-CD1 4.41Å; L407-I411 PolarHBondContact N-O 3.32Å; L407-V413 HydrophobicContact CB-CG2 4.26Å
408	G	98.9	Very high	98.9	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	-143.7	-167.4	0	0	0	0	0	111.3	Y369 V384 R386	Y369-G408 VanDerWaalsContact OH-C 3.31Å; Y369-G408 VanDerWaalsContact OH-CA 3.23Å; Y369-G408 WeakPolarHBondContact OH-CA 3.18Å; V384-G408 PolarHBondContact O-N 2.84Å; R386-G408 VanDerWaalsContact CD-O 3.26Å; R386-G408 WeakPolarHBondContact CD-O 3.29Å; R386-G408 VanDerWaalsContact CZ-C 3.4Å; R386-G408 PolarHBondContact NE-O 3.46Å; R386-G408 PolarHBondContact NH1-O 3.19Å; R386-G408 VanDerWaalsContact NH1-O 3.15Å
409	R	98.9	Very high	98.9	Very high	66 Å²	66	33.9 Å²	33.9	25%	0.249	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-35.5	179.1	175.9	60.1	-171.1	89	-5	112.5	Y369 R386 H391 Y392 D431	Y369-R409 PolarHBondContact OH-N 2.66Å; R386-R409 VanDerWaalsContact NH1-N 3.12Å; H391-R409 VanDerWaalsContact CG-CD 3.44Å; H391-R409 WeakPolarHBondContact ND1-CD 3.31Å; Y392-R409 PolarHBondContact OH-NH1 3.1Å; Y392-R409 PolarHBondContact OH-NH2 2.97Å; R409-D431 IonicContact NH2-OD2 3.95Å
410	D	99	Very high	98.9	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-5.1	-155.2	-68.6	-35.1	0	0	0	114.9	Y369 Y460 R461 S464 F470	Y369-D410 HydrophobicContact CE2-CB 4.4Å; Y369-D410 PolarHBondContact OH-N 3.42Å; D410-Y460 CarbonylContact O-C 3.24Å; D410-Y460 WeakPolarHBondContact O-CA 3.34Å; D410-R461 HydrophobicContact CB-CB 4.47Å; D410-R461 PolarHBondContact O-N 2.8Å; D410-R461 WeakPolarHBondContact OD1-CD 3.05Å; D410-R461 IonicContact OD1-CZ 2.78Å; D410-R461 IonicContact OD1-NH1 3.95Å; D410-R461 PolarHBondContact OD1-NH1 2.89Å; D410-S464 VanDerWaalsContact CG-CB 3.49Å; D410-S464 WeakPolarHBondContact OD2-CB 3.45Å; D410-S464 PolarHBondContact OD2-OG 3.47Å; D410-F470 HydrophobicContact CB-CE2 3.86Å; D410-F470 HydrophobicContact CB-CZ 4.28Å
411	I	99	Very high	98.9	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.1	176.4	-66	171.7	0	0	0	109.1	F328 L366 Y369 L406 L407 V413 V458 F459 F470	F328-I411 HydrophobicContact CD1-CG2 4.41Å; L366-I411 HydrophobicContact CD1-CD1 4.41Å; L366-I411 HydrophobicContact CD2-CD1 4.03Å; Y369-I411 HydrophobicContact CD1-CD1 4.09Å; Y369-I411 HydrophobicContact CE1-CD1 3.78Å; Y369-I411 HydrophobicContact CE1-CG1 4.27Å; L406-I411 CarbonylContact C-O 3.55Å; L406-I411 WeakPolarHBondContact CA-O 3.4Å; L407-I411 HydrophobicContact CB-CB 4.14Å; L407-I411 HydrophobicContact CB-CG2 4.18Å; L407-I411 HydrophobicContact CD2-CD1 4.41Å; L407-I411 PolarHBondContact N-O 3.32Å; I411-V413 HydrophobicContact CG2-CG2 3.77Å; I411-V458 HydrophobicContact CG2-CG1 3.75Å; I411-F459 CarbonylContact C-O 3.56Å; I411-F459 WeakPolarHBondContact CA-O 3.31Å; I411-F470 HydrophobicContact CD1-CD1 4Å; I411-F470 HydrophobicContact CD1-CE1 3.62Å; I411-F470 HydrophobicContact CD1-CZ 3.96Å; I411-F470 HydrophobicContact CG1-CD1 4.45Å; I411-F470 HydrophobicContact CG1-CE1 4.11Å; I411-F470 HydrophobicContact CG1-CE2 4.26Å; I411-F470 HydrophobicContact CG1-CZ 3.98Å
412	L	98.9	Very high	98.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.8	168.7	-174.5	155.2	0	0	0	109.4	L388 L406 L426 L428 W433 V458 F459	L388-L412 HydrophobicContact CD2-CD1 3.91Å; L406-L412 HydrophobicContact CD2-CB 3.82Å; L406-L412 HydrophobicContact CD2-CD1 4.34Å; L406-L412 HydrophobicContact CD2-CG 4.24Å; L412-L426 HydrophobicContact CD2-CD1 3.49Å; L412-L426 VanDerWaalsContact CD2-CD1 3.49Å; L412-L428 HydrophobicContact CD1-CD2 3.79Å; L412-L428 HydrophobicContact CD2-CD2 3.97Å; L412-L428 HydrophobicContact CG-CD2 4.43Å; L412-W433 HydrophobicContact CB-CE3 4.41Å; L412-W433 HydrophobicContact CB-CH2 3.86Å; L412-W433 HydrophobicContact CB-CZ2 4.49Å; L412-W433 HydrophobicContact CB-CZ3 3.8Å; L412-W433 HydrophobicContact CD1-CH2 4.27Å; L412-W433 HydrophobicContact CD1-CZ2 4.11Å; L412-V458 WeakPolarHBondContact O-CA 3.24Å; L412-F459 HydrophobicContact CD2-CD2 4.33Å; L412-F459 PolarHBondContact N-O 3.31Å; L412-F459 PolarHBondContact O-N 3.36Å
413	V	99	Very high	98.9	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.7	-178.9	-171	0	0	0	0	109.9	F328 Q404 Y405 L407 I411 P415 V458	F328-V413 HydrophobicContact CB-CG1 4.3Å; F328-V413 HydrophobicContact CB-CG2 3.91Å; F328-V413 HydrophobicContact CD1-CG2 4.36Å; F328-V413 HydrophobicContact CG-CG2 4.25Å; Q404-V413 VanDerWaalsContact CA-O 3.26Å; Q404-V413 WeakPolarHBondContact CA-O 3.33Å; Q404-V413 WeakPolarHBondContact CB-O 3.44Å; Y405-V413 HydrophobicContact CD1-CB 4.25Å; Y405-V413 HydrophobicContact CD2-CB 4.44Å; Y405-V413 HydrophobicContact CE1-CB 3.72Å; Y405-V413 HydrophobicContact CE1-CG1 3.82Å; Y405-V413 HydrophobicContact CE2-CB 3.93Å; Y405-V413 HydrophobicContact CE2-CG2 3.9Å; Y405-V413 PolarHBondContact N-O 3.42Å; Y405-V413 PolarHBondContact O-N 3.02Å; Y405-V413 WeakPolarHBondContact OH-CG1 3.35Å; L407-V413 HydrophobicContact CB-CG2 4.26Å; I411-V413 HydrophobicContact CG2-CG2 3.77Å; V413-P415 HydrophobicContact CG1-CG 4.1Å; V413-V458 HydrophobicContact CG1-CG2 4.18Å; V413-V458 HydrophobicContact CG2-CG2 4.41Å
414	A	99	Very high	98.9	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.017	16%	0.156	C	C	.	.			trans	-125.7	88.8	170.6	0	0	0	0	0	109.2	Q404 V416 L426 P457	Q404-A414 HydrophobicContact CB-CB 3.83Å; A414-V416 PolarHBondContact O-N 3.29Å; A414-L426 HydrophobicContact CB-CB 3.65Å; A414-L426 HydrophobicContact CB-CD1 3.7Å; A414-L426 HydrophobicContact CB-CG 4.21Å; A414-P457 HydrophobicContact CB-CB 4.37Å; A414-P457 PolarHBondContact N-O 3.26Å; A414-P457 WeakPolarHBondContact O-CB 3.44Å; A414-P457 WeakPolarHBondContact O-CD 3.44Å; A414-P457 VanDerWaalsContact O-CG 3.29Å; A414-P457 WeakPolarHBondContact O-CG 3.42Å
415	P	98.9	Very high	98.9	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.032	17%	0.169	C	C	.	.			trans	-59.4	136.4	-175.2	-23.2	34.5	0	0	0	112.4	L281 V285 F325 Y403 Y405 V413 H417 W424	L281-P415 HydrophobicContact CD2-CB 4.14Å; V285-P415 HydrophobicContact CG2-CG 4.25Å; F325-P415 HydrophobicContact CB-CB 4.17Å; F325-P415 HydrophobicContact CB-CG 4.44Å; F325-P415 HydrophobicContact CD2-CB 4.14Å; F325-P415 HydrophobicContact CD2-CG 3.51Å; F325-P415 HydrophobicContact CE2-CG 3.97Å; F325-P415 HydrophobicContact CG-CB 4.17Å; F325-P415 HydrophobicContact CG-CG 4.04Å; Y403-P415 WeakPolarHBondContact O-CD 3.43Å; Y405-P415 HydrophobicContact CE1-CG 3.98Å; V413-P415 HydrophobicContact CG1-CG 4.1Å; P415-H417 PolarHBondContact O-N 3.4Å; P415-W424 WeakPolarHBondContact O-CZ2 3.48Å
416	V	98.9	Very high	98.9	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.03	17%	0.171	C	C	.	.			trans	-68.4	113.5	169	177.1	0	0	0	0	108.1	A414 R421 W424 A451 P457	A414-V416 PolarHBondContact O-N 3.29Å; V416-R421 HydrophobicContact CG1-CB 3.84Å; V416-R421 HydrophobicContact CG1-CG 4.19Å; V416-W424 HydrophobicContact CB-CD2 4.35Å; V416-W424 HydrophobicContact CB-CE3 4.12Å; V416-W424 HydrophobicContact CB-CZ3 4.45Å; V416-W424 HydrophobicContact CG1-CE3 3.81Å; V416-W424 HydrophobicContact CG1-CZ3 3.92Å; V416-W424 HydrophobicContact CG2-CB 4.03Å; V416-W424 HydrophobicContact CG2-CD2 3.89Å; V416-W424 HydrophobicContact CG2-CE3 3.93Å; V416-W424 HydrophobicContact CG2-CG 3.96Å; V416-A451 HydrophobicContact CG2-CB 3.93Å; V416-P457 HydrophobicContact CG2-CG 3.96Å
417	H	98.8	Very high	98.9	Very high	15 Å²	15	32.7 Å²	32.7	7%	0.069	18%	0.178	C	C	.	.			trans	-117.3	18	-175.7	68.7	65.1	0	0	0	113.3	L281 A282 Y403 P415 W424	L281-H417 HydrophobicContact CD2-CB 3.73Å; A282-H417 HydrophobicContact CB-CB 3.72Å; Y403-H417 AromaticContact CD2-NE2 3.87Å; Y403-H417 AromaticContact CG-NE2 3.97Å; P415-H417 PolarHBondContact O-N 3.4Å; H417-W424 AromaticContact CD2-CH2 3.67Å; H417-W424 AromaticContact CD2-CZ2 3.4Å; H417-W424 VanDerWaalsContact CD2-CZ2 3.4Å; H417-W424 WeakPolarHBondContact CD2-CZ2 3.26Å; H417-W424 AromaticContact CE1-CH2 3.71Å; H417-W424 AromaticContact CG-CH2 3.85Å; H417-W424 AromaticContact ND1-CH2 3.89Å; H417-W424 AromaticContact NE2-CH2 3.59Å; H417-W424 AromaticContact NE2-CZ2 3.41Å; H417-W424 WeakPolarHBondContact NE2-CZ2 3.31Å
418	E	98.9	Very high	98.9	Very high	82 Å²	82	32.6 Å²	32.6	38%	0.383	18%	0.178	S	C	.	.	S	Bend	trans	-125.1	147	175.3	-64.3	169.6	-173.7	0	0	110.4	R421 W424	E418-R421 HydrophobicContact CB-CG 3.78Å; E418-R421 WeakPolarHBondContact O-CG 3.4Å; E418-R421 IonicContact OE2-CZ 2.96Å; E418-R421 IonicContact OE2-NH1 3.39Å; E418-R421 PolarHBondContact OE2-NH1 2.66Å; E418-W424 HydrophobicContact CB-CH2 4.36Å; E418-W424 HydrophobicContact CB-CZ3 4.03Å; E418-W424 HydrophobicContact CG-CH2 3.95Å; E418-W424 HydrophobicContact CG-CZ3 4.04Å
419	E	98.8	Very high	98.9	Very high	120 Å²	120	32.6 Å²	32.6	56%	0.561	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	147.7	178.2	-164.3	173.6	-155.6	0	0	112.4	W275 R421	W275-E419 HydrophobicContact CD2-CB 3.97Å; W275-E419 HydrophobicContact CG-CB 3.95Å; W275-E419 HydrophobicContact CZ2-CB 4.3Å; W275-E419 HydrophobicContact CZ2-CG 4.26Å; E419-R421 VanDerWaalsContact C-N 3.26Å; E419-R421 PolarHBondContact O-N 2.79Å
420	G	98.6	Very high	98.9	Very high	62 Å²	62	34.5 Å²	34.5	64%	0.639	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	11.2	168.5	0	0	0	0	0	115	E317	E317-G420 PolarHBondContact OE1-N 2.73Å
421	R	98.8	Very high	98.9	Very high	66 Å²	66	35.4 Å²	35.4	25%	0.249	19%	0.194	C	C	.	.			trans	-79.5	131.7	-175.7	-64.2	-61	-57.7	-95.2	-1.2	112.8	R321 V416 E418 E419 D423 W424	R321-R421 PolarHBondContact NH2-O 3.49Å; V416-R421 HydrophobicContact CG1-CB 3.84Å; V416-R421 HydrophobicContact CG1-CG 4.19Å; E418-R421 HydrophobicContact CB-CG 3.78Å; E418-R421 WeakPolarHBondContact O-CG 3.4Å; E418-R421 IonicContact OE2-CZ 2.96Å; E418-R421 IonicContact OE2-NH1 3.39Å; E418-R421 PolarHBondContact OE2-NH1 2.66Å; E419-R421 VanDerWaalsContact C-N 3.26Å; E419-R421 PolarHBondContact O-N 2.79Å; R421-D423 IonicContact CZ-OD1 2.8Å; R421-D423 PolarHBondContact NE-O 2.97Å; R421-D423 IonicContact NE-OD1 2.69Å; R421-D423 PolarHBondContact NH2-O 2.9Å; R421-D423 IonicContact NH2-OD1 3.63Å; R421-D423 PolarHBondContact NH2-OD1 2.84Å; R421-W424 HydrophobicContact CG-CE3 4.26Å; R421-W424 HydrophobicContact CG-CZ3 4.05Å
422	S	98.6	Very high	98.9	Very high	82 Å²	82	38.9 Å²	38.9	57%	0.573	21%	0.212	S	C	*	.	S	Bend	trans	-100	-19.9	169.8	55.9	0	0	0	0	113.7	A451	S422-A451 CarbonylContact O-C 3.57Å; S422-A451 PolarHBondContact O-N 2.98Å
423	D	98.8	Very high	98.9	Very high	55 Å²	55	38.9 Å²	38.9	29%	0.294	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	172.2	178.4	62.7	16.5	0	0	0	110.6	R421 T448 V449	R421-D423 IonicContact CZ-OD1 2.8Å; R421-D423 PolarHBondContact NE-O 2.97Å; R421-D423 IonicContact NE-OD1 2.69Å; R421-D423 PolarHBondContact NH2-O 2.9Å; R421-D423 IonicContact NH2-OD1 3.63Å; R421-D423 PolarHBondContact NH2-OD1 2.84Å; D423-T448 HydrophobicContact CB-CG2 4.12Å; D423-V449 CarbonylContact C-O 3.4Å; D423-V449 WeakPolarHBondContact CA-O 3.39Å; D423-V449 WeakPolarHBondContact CB-O 3.25Å
424	W	98.9	Very high	98.9	Very high	17 Å²	17	39.6 Å²	39.6	6%	0.064	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	141.8	175.8	-161.6	-108.5	0	0	0	111.3	P415 V416 H417 E418 R421 T448 V449 A451 P457	P415-W424 WeakPolarHBondContact O-CZ2 3.48Å; V416-W424 HydrophobicContact CB-CD2 4.35Å; V416-W424 HydrophobicContact CB-CE3 4.12Å; V416-W424 HydrophobicContact CB-CZ3 4.45Å; V416-W424 HydrophobicContact CG1-CE3 3.81Å; V416-W424 HydrophobicContact CG1-CZ3 3.92Å; V416-W424 HydrophobicContact CG2-CB 4.03Å; V416-W424 HydrophobicContact CG2-CD2 3.89Å; V416-W424 HydrophobicContact CG2-CE3 3.93Å; V416-W424 HydrophobicContact CG2-CG 3.96Å; H417-W424 AromaticContact CD2-CH2 3.67Å; H417-W424 AromaticContact CD2-CZ2 3.4Å; H417-W424 VanDerWaalsContact CD2-CZ2 3.4Å; H417-W424 WeakPolarHBondContact CD2-CZ2 3.26Å; H417-W424 AromaticContact CE1-CH2 3.71Å; H417-W424 AromaticContact CG-CH2 3.85Å; H417-W424 AromaticContact ND1-CH2 3.89Å; H417-W424 AromaticContact NE2-CH2 3.59Å; H417-W424 AromaticContact NE2-CZ2 3.41Å; H417-W424 WeakPolarHBondContact NE2-CZ2 3.31Å; E418-W424 HydrophobicContact CB-CH2 4.36Å; E418-W424 HydrophobicContact CB-CZ3 4.03Å; E418-W424 HydrophobicContact CG-CH2 3.95Å; E418-W424 HydrophobicContact CG-CZ3 4.04Å; R421-W424 HydrophobicContact CG-CE3 4.26Å; R421-W424 HydrophobicContact CG-CZ3 4.05Å; W424-T448 WeakPolarHBondContact O-CA 3.34Å; W424-V449 PolarHBondContact N-O 3.24Å; W424-V449 PolarHBondContact O-N 3.38Å; W424-A451 HydrophobicContact CB-CB 3.85Å; W424-P457 HydrophobicContact CB-CB 4.43Å; W424-P457 HydrophobicContact CB-CG 3.48Å; W424-P457 VanDerWaalsContact CB-CG 3.48Å; W424-P457 HydrophobicContact CG-CG 3.7Å
425	T	98.9	Very high	98.9	Very high	52 Å²	52	39.8 Å²	39.8	32%	0.319	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.4	175.2	-60.5	0	0	0	0	109.5	E446 V447 T448	T425-E446 HydrophobicContact CG2-CG 3.65Å; T425-E446 VanDerWaalsContact CG2-OE1 3.23Å; T425-E446 WeakPolarHBondContact CG2-OE1 3.4Å; T425-V447 VanDerWaalsContact CA-O 3.29Å; T425-V447 WeakPolarHBondContact CA-O 3.47Å; T425-T448 PolarHBondContact OG1-OG1 3.31Å
426	L	98.9	Very high	98.8	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	171	179.4	70	150.1	0	0	0	111.2	L412 A414 L428 E446 V447 V449 P457 F459	L412-L426 HydrophobicContact CD2-CD1 3.49Å; L412-L426 VanDerWaalsContact CD2-CD1 3.49Å; A414-L426 HydrophobicContact CB-CB 3.65Å; A414-L426 HydrophobicContact CB-CD1 3.7Å; A414-L426 HydrophobicContact CB-CG 4.21Å; L426-L428 HydrophobicContact CD1-CD2 4.05Å; L426-E446 WeakPolarHBondContact O-CA 3.5Å; L426-V447 HydrophobicContact CD2-CG2 3.78Å; L426-V447 HydrophobicContact CG-CG2 3.95Å; L426-V447 PolarHBondContact N-O 3.21Å; L426-V447 PolarHBondContact O-N 3.42Å; L426-V449 HydrophobicContact CD2-CG2 4.22Å; L426-P457 HydrophobicContact CD2-CB 4.16Å; L426-F459 HydrophobicContact CD1-CD2 3.98Å; L426-F459 HydrophobicContact CD1-CE2 3.58Å; L426-F459 HydrophobicContact CD1-CZ 4.48Å; L426-F459 HydrophobicContact CD2-CE2 3.87Å; L426-F459 HydrophobicContact CD2-CZ 4.2Å; L426-F459 HydrophobicContact CG-CE2 4.31Å
427	Y	98.9	Very high	98.8	Very high	39 Å²	39	40 Å²	40	15%	0.153	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.9	173.6	-175.8	-102.3	0	0	0	112	D395 H397 T398 L401 Q404 P429	D395-Y427 PolarHBondContact OD1-OH 3.03Å; D395-Y427 VanDerWaalsContact OD2-CE1 3.25Å; D395-Y427 WeakPolarHBondContact OD2-CE1 3.31Å; D395-Y427 PolarHBondContact OD2-OH 2.98Å; H397-Y427 HydrophobicContact CB-CE1 4.23Å; H397-Y427 HydrophobicContact CB-CE2 4.34Å; H397-Y427 AromaticContact CD2-CD1 3.68Å; H397-Y427 AromaticContact CD2-CD2 3.45Å; H397-Y427 VanDerWaalsContact CD2-CD2 3.45Å; H397-Y427 WeakPolarHBondContact CD2-CD2 3.27Å; H397-Y427 AromaticContact CD2-CE2 3.81Å; H397-Y427 AromaticContact CD2-CG 3.37Å; H397-Y427 AromaticContact NE2-CD2 3.9Å; H397-Y427 AromaticContact NE2-CG 3.95Å; T398-Y427 HydrophobicContact CG2-CE1 4.17Å; L401-Y427 HydrophobicContact CD1-CD1 4.18Å; Q404-Y427 PolarHBondContact NE2-O 3.33Å; Q404-Y427 VanDerWaalsContact OE1-N 3.15Å; Y427-P429 HydrophobicContact CE1-CB 4.22Å
428	L	99	Very high	98.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.1	166.7	-63.2	179.1	0	0	0	109	L412 L426 W433 F442 G444 G445 V447 F459	L412-L428 HydrophobicContact CD1-CD2 3.79Å; L412-L428 HydrophobicContact CD2-CD2 3.97Å; L412-L428 HydrophobicContact CG-CD2 4.43Å; L426-L428 HydrophobicContact CD1-CD2 4.05Å; L428-W433 HydrophobicContact CD1-CB 4.08Å; L428-W433 HydrophobicContact CD1-CG 4.09Å; L428-W433 HydrophobicContact CD2-CD2 4.35Å; L428-W433 HydrophobicContact CD2-CG 4.17Å; L428-F442 HydrophobicContact CD1-CB 3.65Å; L428-F442 HydrophobicContact CD1-CG 4.28Å; L428-G444 CarbonylContact O-C 3.52Å; L428-G444 VanDerWaalsContact O-CA 3.24Å; L428-G444 WeakPolarHBondContact O-CA 3.35Å; L428-G445 PolarHBondContact N-O 2.78Å; L428-G445 PolarHBondContact O-N 3.47Å; L428-V447 HydrophobicContact CD1-CG1 4.13Å; L428-V447 HydrophobicContact CD1-CG2 3.9Å; L428-V447 HydrophobicContact CG-CG2 3.97Å; L428-F459 HydrophobicContact CD1-CD1 4.21Å; L428-F459 HydrophobicContact CD1-CE1 4.21Å; L428-F459 HydrophobicContact CD2-CB 4.36Å; L428-F459 HydrophobicContact CD2-CD1 4.39Å; L428-F459 HydrophobicContact CD2-CD2 3.99Å; L428-F459 HydrophobicContact CD2-CE2 4.41Å; L428-F459 HydrophobicContact CD2-CG 3.99Å
429	P	98.9	Very high	98.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.237	C	C	.	.			trans	-68.7	161.7	168.4	31.5	-34	0	0	0	109.7	L388 Y392 T398 Y427 D431 W433	L388-P429 HydrophobicContact CD2-CG 4.32Å; Y392-P429 HydrophobicContact CD1-CB 3.59Å; Y392-P429 HydrophobicContact CD1-CG 3.84Å; Y392-P429 HydrophobicContact CD2-CB 3.96Å; Y392-P429 HydrophobicContact CD2-CG 3.54Å; Y392-P429 HydrophobicContact CE1-CB 3.98Å; Y392-P429 HydrophobicContact CE1-CG 3.81Å; Y392-P429 HydrophobicContact CE2-CB 4.32Å; Y392-P429 HydrophobicContact CE2-CG 3.52Å; Y392-P429 HydrophobicContact CG-CB 3.59Å; Y392-P429 HydrophobicContact CG-CG 3.73Å; T398-P429 HydrophobicContact CG2-CB 4.39Å; Y427-P429 HydrophobicContact CE1-CB 4.22Å; P429-D431 PolarHBondContact O-N 2.7Å; P429-W433 HydrophobicContact CG-CZ2 3.93Å; P429-W433 PolarHBondContact O-NE1 3.28Å
430	E	98.9	Very high	98.8	Very high	107 Å²	107	40.3 Å²	40.3	50%	0.5	24%	0.235	S	C	.	.	S	Bend	trans	-61.3	107.9	179.1	-81	-66.8	159	0	0	112	R443	E430-R443 IonicContact OE1-NH2 2.78Å; E430-R443 IonicContact OE2-CZ 2.71Å; E430-R443 IonicContact OE2-NE 2.65Å; E430-R443 PolarHBondContact OE2-NE 2.86Å; E430-R443 IonicContact OE2-NH2 2.65Å; E430-R443 PolarHBondContact OE2-NH2 2.65Å
431	D	98.8	Very high	98.8	Very high	23 Å²	23	41.2 Å²	41.2	12%	0.123	24%	0.236	C	C	.	.	S	Bend	trans	-162.2	178.5	174.4	-146.5	-45.5	0	0	0	108.5	Y392 R409 P429 W433 R461	Y392-D431 HydrophobicContact CE1-CB 4.25Å; Y392-D431 PolarHBondContact OH-OD2 2.76Å; R409-D431 IonicContact NH2-OD2 3.95Å; P429-D431 PolarHBondContact O-N 2.7Å; D431-W433 HydrophobicContact CB-CD2 4.45Å; D431-W433 HydrophobicContact CB-CZ2 4.11Å; D431-W433 PolarHBondContact O-N 2.91Å; D431-R461 IonicContact OD1-NE 2.71Å; D431-R461 PolarHBondContact OD1-NE 2.9Å; D431-R461 IonicContact OD1-NH2 3.53Å; D431-R461 WeakPolarHBondContact OD2-CD 3.48Å; D431-R461 IonicContact OD2-CZ 3.78Å; D431-R461 IonicContact OD2-NE 2.64Å; D431-R461 PolarHBondContact OD2-NE 3.2Å
432	N	98.9	Very high	98.8	Very high	74 Å²	74	39.9 Å²	39.9	40%	0.396	23%	0.232	S	C	.	.			trans	-92.9	91.1	171.4	-62.2	-51.7	0	0	0	109.6	A462 D463	N432-A462 HydrophobicContact CB-CB 3.89Å; N432-A462 WeakPolarHBondContact O-CB 3.12Å; N432-A462 PolarHBondContact O-N 3.1Å; N432-D463 PolarHBondContact ND2-OD2 2.82Å
433	W	98.9	Very high	98.8	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	144.8	-177.5	-67.3	106.3	0	0	0	111.9	Y392 L406 L412 L428 P429 D431 A441 F442 F459 Y460 R461	Y392-W433 HydrophobicContact CE2-CZ2 4.27Å; Y392-W433 AromaticContact CZ-CZ2 3.91Å; Y392-W433 VanDerWaalsContact OH-CZ2 3.29Å; Y392-W433 WeakPolarHBondContact OH-CZ2 3.24Å; L406-W433 HydrophobicContact CD2-CH2 3.95Å; L412-W433 HydrophobicContact CB-CE3 4.41Å; L412-W433 HydrophobicContact CB-CH2 3.86Å; L412-W433 HydrophobicContact CB-CZ2 4.49Å; L412-W433 HydrophobicContact CB-CZ3 3.8Å; L412-W433 HydrophobicContact CD1-CH2 4.27Å; L412-W433 HydrophobicContact CD1-CZ2 4.11Å; L428-W433 HydrophobicContact CD1-CB 4.08Å; L428-W433 HydrophobicContact CD1-CG 4.09Å; L428-W433 HydrophobicContact CD2-CD2 4.35Å; L428-W433 HydrophobicContact CD2-CG 4.17Å; P429-W433 HydrophobicContact CG-CZ2 3.93Å; P429-W433 PolarHBondContact O-NE1 3.28Å; D431-W433 HydrophobicContact CB-CD2 4.45Å; D431-W433 HydrophobicContact CB-CZ2 4.11Å; D431-W433 PolarHBondContact O-N 2.91Å; W433-A441 CarbonylContact O-C 3.56Å; W433-A441 WeakPolarHBondContact O-CA 3.12Å; W433-F442 HydrophobicContact CB-CB 4.13Å; W433-F442 PolarHBondContact N-O 2.97Å; W433-F442 PolarHBondContact O-N 2.91Å; W433-F459 HydrophobicContact CB-CB 4.33Å; W433-F459 HydrophobicContact CB-CD1 4.4Å; W433-F459 HydrophobicContact CD2-CB 4.36Å; W433-F459 HydrophobicContact CE3-CB 3.81Å; W433-Y460 CarbonylContact C-O 3.48Å; W433-R461 HydrophobicContact CE3-CG 4.13Å; W433-R461 HydrophobicContact CH2-CG 3.77Å; W433-R461 HydrophobicContact CZ2-CG 4.42Å; W433-R461 HydrophobicContact CZ3-CG 3.61Å
434	V	98.9	Very high	98.8	Very high	17 Å²	17	41.8 Å²	41.8	10%	0.103	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.4	172.3	-175.6	0	0	0	0	109	A436 E440 F459 Y460 A462	V434-A436 PolarHBondContact O-N 2.81Å; V434-E440 WeakPolarHBondContact CA-O 3.29Å; V434-F459 CarbonylContact O-C 3.29Å; V434-F459 VanDerWaalsContact O-CA 3.26Å; V434-F459 WeakPolarHBondContact O-CA 3.17Å; V434-Y460 HydrophobicContact CB-CD1 4.17Å; V434-Y460 HydrophobicContact CB-CD2 4.25Å; V434-Y460 HydrophobicContact CB-CE1 3.73Å; V434-Y460 HydrophobicContact CB-CE2 3.82Å; V434-Y460 HydrophobicContact CB-CG 4.42Å; V434-Y460 HydrophobicContact CG1-CE1 3.65Å; V434-Y460 HydrophobicContact CG1-CE2 4.25Å; V434-Y460 VanDerWaalsContact CG1-CZ 3.5Å; V434-Y460 WeakPolarHBondContact CG1-OH 3.22Å; V434-Y460 HydrophobicContact CG2-CE2 4.12Å; V434-Y460 PolarHBondContact N-O 3.28Å; V434-Y460 WeakPolarHBondContact O-CD1 3.36Å; V434-Y460 PolarHBondContact O-N 3.34Å; V434-A462 HydrophobicContact CG2-CB 3.86Å
435	H	98.9	Very high	98.8	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.028	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	123.7	177.3	-178.7	-113	0	0	0	110.9	W437 T438 G439 E440 F442 V458 F459	H435-W437 AromaticContact CE1-CD1 3.61Å; H435-W437 AromaticContact NE2-CD1 3.62Å; H435-W437 PolarHBondContact O-N 3.24Å; H435-W437 VanDerWaalsContact O-N 3.09Å; H435-T438 PolarHBondContact ND1-OG1 2.75Å; H435-T438 PolarHBondContact O-N 3.31Å; H435-G439 WeakPolarHBondContact O-CA 3.18Å; H435-G439 PolarHBondContact O-N 3.32Å; H435-E440 PolarHBondContact N-O 2.77Å; H435-F442 HydrophobicContact CB-CD2 4.28Å; H435-F442 HydrophobicContact CB-CE2 3.94Å; H435-V458 PolarHBondContact CD2-O 2.99Å; H435-F459 HydrophobicContact CB-CD1 3.9Å; H435-F459 HydrophobicContact CB-CE1 3.76Å; H435-F459 AromaticContact CD2-CE1 3.69Å; H435-F459 AromaticContact CD2-CZ 3.66Å
436	A	98.8	Very high	98.8	Very high	3 Å²	3	46.9 Å²	46.9	3%	0.025	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.6	-166.4	0	0	0	0	0	114.3	V434 V458	V434-A436 PolarHBondContact O-N 2.81Å; A436-V458 HydrophobicContact CB-CB 4.15Å; A436-V458 HydrophobicContact CB-CG1 3.99Å; A436-V458 WeakPolarHBondContact CB-O 3.26Å; A436-V458 PolarHBondContact N-O 2.82Å
437	W	98.8	Very high	98.8	Very high	12 Å²	12	47.5 Å²	47.5	5%	0.045	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-14.9	-171.8	-42.7	109	0	0	0	114.3	F328 M359 V362 H435 K455 P456 L473 K474	F328-W437 HydrophobicContact CE2-CH2 4.39Å; F328-W437 HydrophobicContact CE2-CZ2 4.05Å; F328-W437 AromaticContact CZ-CH2 3.92Å; F328-W437 HydrophobicContact CZ-CH2 3.92Å; F328-W437 AromaticContact CZ-CZ2 3.71Å; F328-W437 HydrophobicContact CZ-CZ2 3.71Å; M359-W437 HydrophobicContact CE-CH2 4.46Å; V362-W437 HydrophobicContact CG1-CH2 4.2Å; V362-W437 HydrophobicContact CG2-CH2 4.02Å; V362-W437 HydrophobicContact CG2-CZ3 4.14Å; H435-W437 AromaticContact CE1-CD1 3.61Å; H435-W437 AromaticContact NE2-CD1 3.62Å; H435-W437 PolarHBondContact O-N 3.24Å; H435-W437 VanDerWaalsContact O-N 3.09Å; W437-K455 HydrophobicContact CB-CB 4.13Å; W437-K455 HydrophobicContact CB-CD 4.01Å; W437-K455 HydrophobicContact CB-CG 3.97Å; W437-K455 HydrophobicContact CD2-CB 4.19Å; W437-K455 HydrophobicContact CD2-CG 4.2Å; W437-K455 HydrophobicContact CG-CB 3.7Å; W437-K455 HydrophobicContact CG-CD 4.43Å; W437-K455 HydrophobicContact CG-CG 3.87Å; W437-K455 VanDerWaalsContact NE1-C 3.34Å; W437-P456 HydrophobicContact CZ2-CG 3.78Å; W437-P456 PolarHBondContact NE1-O 3.05Å; W437-L473 HydrophobicContact CZ3-CB 4.47Å; W437-K474 WeakPolarHBondContact O-CD 3.32Å; W437-K474 WeakPolarHBondContact O-CG 3.13Å
438	T	98.5	Very high	98.8	Very high	72 Å²	72	49.6 Å²	49.6	44%	0.442	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-27.8	-178.9	59.3	0	0	0	0	112.2	H435 E440	H435-T438 PolarHBondContact ND1-OG1 2.75Å; H435-T438 PolarHBondContact O-N 3.31Å; T438-E440 WeakPolarHBondContact OG1-CB 3.24Å; T438-E440 PolarHBondContact OG1-N 2.97Å
439	G	98.5	Very high	98.8	Very high	40 Å²	40	50.1 Å²	50.1	41%	0.412	28%	0.281	S	S	.	.			trans	75.2	9.9	-169.4	0	0	0	0	0	113.1	H435	H435-G439 WeakPolarHBondContact O-CA 3.18Å; H435-G439 PolarHBondContact O-N 3.32Å
440	E	98.7	Very high	98.7	Very high	111 Å²	111	56.2 Å²	56.2	52%	0.519	31%	0.313	S	S	.	.			trans	-69.1	137	177	-176.7	175	-171.9	0	0	110.3	V434 H435 T438 F442	V434-E440 WeakPolarHBondContact CA-O 3.29Å; H435-E440 PolarHBondContact N-O 2.77Å; T438-E440 WeakPolarHBondContact OG1-CB 3.24Å; T438-E440 PolarHBondContact OG1-N 2.97Å; E440-F442 HydrophobicContact CB-CE2 3.81Å; E440-F442 HydrophobicContact CG-CD2 4.24Å; E440-F442 HydrophobicContact CG-CE2 3.54Å; E440-F442 HydrophobicContact CG-CZ 3.92Å; E440-F442 WeakPolarHBondContact O-CD2 3.24Å
441	A	98.8	Very high	98.7	Very high	81 Å²	81	51.1 Å²	51.1	67%	0.669	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.7	-179.4	0	0	0	0	0	111	W433	W433-A441 CarbonylContact O-C 3.56Å; W433-A441 WeakPolarHBondContact O-CA 3.12Å
442	F	98.9	Very high	98.7	Very high	37 Å²	37	52.8 Å²	52.8	16%	0.162	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.1	179	-71.8	-93.1	0	0	0	110.7	L428 W433 H435 E440 V447 V449 F459	L428-F442 HydrophobicContact CD1-CB 3.65Å; L428-F442 HydrophobicContact CD1-CG 4.28Å; W433-F442 HydrophobicContact CB-CB 4.13Å; W433-F442 PolarHBondContact N-O 2.97Å; W433-F442 PolarHBondContact O-N 2.91Å; H435-F442 HydrophobicContact CB-CD2 4.28Å; H435-F442 HydrophobicContact CB-CE2 3.94Å; E440-F442 HydrophobicContact CB-CE2 3.81Å; E440-F442 HydrophobicContact CG-CD2 4.24Å; E440-F442 HydrophobicContact CG-CE2 3.54Å; E440-F442 HydrophobicContact CG-CZ 3.92Å; E440-F442 WeakPolarHBondContact O-CD2 3.24Å; F442-V447 HydrophobicContact CD1-CB 4.44Å; F442-V447 HydrophobicContact CD1-CG1 3.98Å; F442-V447 HydrophobicContact CE1-CG1 4.49Å; F442-V449 HydrophobicContact CE1-CG1 4.31Å; F442-V449 HydrophobicContact CZ-CG1 3.91Å; F442-F459 HydrophobicContact CD2-CD1 4.21Å; F442-F459 AromaticContact CD2-CE1 3.75Å; F442-F459 HydrophobicContact CD2-CE1 3.75Å; F442-F459 AromaticContact CE2-CE1 4Å; F442-F459 HydrophobicContact CE2-CE1 4Å; F442-F459 HydrophobicContact CG-CE1 4.19Å
443	R	98.7	Very high	98.7	Very high	158 Å²	158	52.3 Å²	52.3	60%	0.596	30%	0.299	S	S	*	.			trans	-107	177.7	170.1	-77.7	-72	-60.2	-95.1	-5.8	109.5	E430	E430-R443 IonicContact OE1-NH2 2.78Å; E430-R443 IonicContact OE2-CZ 2.71Å; E430-R443 IonicContact OE2-NE 2.65Å; E430-R443 PolarHBondContact OE2-NE 2.86Å; E430-R443 IonicContact OE2-NH2 2.65Å; E430-R443 PolarHBondContact OE2-NH2 2.65Å
444	G	98.2	Very high	98.7	Very high	20 Å²	20	52.4 Å²	52.4	21%	0.206	30%	0.3	C	S	.	.	S	Bend	trans	-61.3	155.7	176.6	0	0	0	0	0	113.4	L428	L428-G444 CarbonylContact O-C 3.52Å; L428-G444 VanDerWaalsContact O-CA 3.24Å; L428-G444 WeakPolarHBondContact O-CA 3.35Å
445	G	98.6	Very high	98.7	Very high	25 Å²	25	56.1 Å²	56.1	26%	0.258	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	125.5	176.8	-178.1	0	0	0	0	0	113.6	L428	L428-G445 PolarHBondContact N-O 2.78Å; L428-G445 PolarHBondContact O-N 3.47Å
446	E	98.9	Very high	98.7	Very high	150 Å²	150	56 Å²	56	70%	0.701	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.1	171.9	-167.5	169.9	-178.4	0	0	109.9	T425 L426	T425-E446 HydrophobicContact CG2-CG 3.65Å; T425-E446 VanDerWaalsContact CG2-OE1 3.23Å; T425-E446 WeakPolarHBondContact CG2-OE1 3.4Å; L426-E446 WeakPolarHBondContact O-CA 3.5Å
447	V	98.8	Very high	98.7	Very high	21 Å²	21	55.9 Å²	55.9	13%	0.127	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146	-175.5	-59.7	0	0	0	0	110.4	T425 L426 L428 F442 F459	T425-V447 VanDerWaalsContact CA-O 3.29Å; T425-V447 WeakPolarHBondContact CA-O 3.47Å; L426-V447 HydrophobicContact CD2-CG2 3.78Å; L426-V447 HydrophobicContact CG-CG2 3.95Å; L426-V447 PolarHBondContact N-O 3.21Å; L426-V447 PolarHBondContact O-N 3.42Å; L428-V447 HydrophobicContact CD1-CG1 4.13Å; L428-V447 HydrophobicContact CD1-CG2 3.9Å; L428-V447 HydrophobicContact CG-CG2 3.97Å; F442-V447 HydrophobicContact CD1-CB 4.44Å; F442-V447 HydrophobicContact CD1-CG1 3.98Å; F442-V447 HydrophobicContact CE1-CG1 4.49Å; V447-F459 HydrophobicContact CG2-CZ 4.41Å
448	T	98.9	Very high	98.7	Very high	83 Å²	83	55.4 Å²	55.4	51%	0.509	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.7	170.1	-56.8	0	0	0	0	109.2	D423 W424 T425	D423-T448 HydrophobicContact CB-CG2 4.12Å; W424-T448 WeakPolarHBondContact O-CA 3.34Å; T425-T448 PolarHBondContact OG1-OG1 3.31Å
449	V	98.8	Very high	98.8	Very high	11 Å²	11	52 Å²	52	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150	179.9	-64.4	0	0	0	0	111.6	D423 W424 L426 F442 A451 P457 F459	D423-V449 CarbonylContact C-O 3.4Å; D423-V449 WeakPolarHBondContact CA-O 3.39Å; D423-V449 WeakPolarHBondContact CB-O 3.25Å; W424-V449 PolarHBondContact N-O 3.24Å; W424-V449 PolarHBondContact O-N 3.38Å; L426-V449 HydrophobicContact CD2-CG2 4.22Å; F442-V449 HydrophobicContact CE1-CG1 4.31Å; F442-V449 HydrophobicContact CZ-CG1 3.91Å; V449-A451 PolarHBondContact O-N 2.95Å; V449-P457 HydrophobicContact CG2-CB 4.26Å; V449-F459 HydrophobicContact CG1-CE1 4.32Å; V449-F459 HydrophobicContact CG1-CZ 3.79Å; V449-F459 HydrophobicContact CG2-CZ 4.1Å
450	N	98.7	Very high	98.8	Very high	128 Å²	128	51.1 Å²	51.1	68%	0.684	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	128.7	167.8	-73.7	-41.5	0	0	0	109.3	P452	N450-P452 VanDerWaalsContact C-CD 3.5Å
451	A	98.9	Very high	98.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.			trans	-134.4	54.2	-173.7	0	0	0	0	0	111.4	R321 V416 S422 W424 V449 P457	R321-A451 PolarHBondContact NH1-O 2.93Å; R321-A451 PolarHBondContact NH2-O 2.85Å; V416-A451 HydrophobicContact CG2-CB 3.93Å; S422-A451 CarbonylContact O-C 3.57Å; S422-A451 PolarHBondContact O-N 2.98Å; W424-A451 HydrophobicContact CB-CB 3.85Å; V449-A451 PolarHBondContact O-N 2.95Å; A451-P457 HydrophobicContact CB-CG 3.87Å
452	P	98.7	Very high	98.8	Very high	59 Å²	59	46 Å²	46	38%	0.383	24%	0.243	S	C	.	.			trans	-61.2	157.7	172.9	30.4	-35.4	0	0	0	110.5	N450 G454 K455	N450-P452 VanDerWaalsContact C-CD 3.5Å; P452-G454 PolarHBondContact O-N 3.23Å; P452-K455 HydrophobicContact CG-CB 4.17Å; P452-K455 HydrophobicContact CG-CD 4.19Å; P452-K455 CarbonylContact O-C 3.46Å; P452-K455 PolarHBondContact O-N 2.72Å
453	I	98.9	Very high	98.8	Very high	64 Å²	64	49 Å²	49	33%	0.328	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	133.3	172.5	-68.8	172.1	0	0	0	109.8	E317 L320 R321 H355 K455	E317-I453 HydrophobicContact CG-CD1 4.07Å; L320-I453 HydrophobicContact CB-CD1 4.32Å; L320-I453 HydrophobicContact CB-CG2 3.61Å; L320-I453 HydrophobicContact CD1-CD1 4.47Å; L320-I453 HydrophobicContact CD1-CG2 3.84Å; L320-I453 HydrophobicContact CG-CG2 4.38Å; R321-I453 HydrophobicContact CG-CG1 4.42Å; H355-I453 WeakPolarHBondContact CE1-CG2 3.45Å; I453-K455 VanDerWaalsContact C-N 3.33Å
454	G	98.7	Very high	98.8	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.031	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	-1.5	-178.7	0	0	0	0	0	114.4	D324 H355 R358 P452	D324-G454 WeakPolarHBondContact OD1-CA 3.42Å; D324-G454 PolarHBondContact OD1-N 2.68Å; D324-G454 PolarHBondContact OD2-N 3.43Å; H355-G454 PolarHBondContact CE1-N 3.06Å; R358-G454 PolarHBondContact NE-O 3.46Å; P452-G454 PolarHBondContact O-N 3.23Å
455	K	98.9	Very high	98.8	Very high	94 Å²	94	47.5 Å²	47.5	41%	0.409	26%	0.257	S	S	.	.	S	Bend	trans	-134.6	63	172.1	-63	-178.1	-179.1	178.5	0	110.2	W437 P452 I453	W437-K455 HydrophobicContact CB-CB 4.13Å; W437-K455 HydrophobicContact CB-CD 4.01Å; W437-K455 HydrophobicContact CB-CG 3.97Å; W437-K455 HydrophobicContact CD2-CB 4.19Å; W437-K455 HydrophobicContact CD2-CG 4.2Å; W437-K455 HydrophobicContact CG-CB 3.7Å; W437-K455 HydrophobicContact CG-CD 4.43Å; W437-K455 HydrophobicContact CG-CG 3.87Å; W437-K455 VanDerWaalsContact NE1-C 3.34Å; P452-K455 HydrophobicContact CG-CB 4.17Å; P452-K455 HydrophobicContact CG-CD 4.19Å; P452-K455 CarbonylContact O-C 3.46Å; P452-K455 PolarHBondContact O-N 2.72Å; I453-K455 VanDerWaalsContact C-N 3.33Å
456	P	98.9	Very high	98.8	Very high	5 Å²	5	49 Å²	49	3%	0.032	26%	0.255	C	S	.	.			trans	-60.1	155.9	-179.4	25	-35.3	0	0	0	112.5	D324 F328 M359 W437 V458	D324-P456 HydrophobicContact CB-CB 4.07Å; D324-P456 HydrophobicContact CB-CG 4Å; F328-P456 HydrophobicContact CD2-CG 4.36Å; F328-P456 HydrophobicContact CE2-CG 3.74Å; M359-P456 HydrophobicContact CE-CG 4.39Å; W437-P456 HydrophobicContact CZ2-CG 3.78Å; W437-P456 PolarHBondContact NE1-O 3.05Å; P456-V458 HydrophobicContact CB-CG2 4.17Å; P456-V458 HydrophobicContact CG-CG2 3.93Å; P456-V458 PolarHBondContact O-N 3.01Å
457	P	98.9	Very high	98.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-64.3	92.4	176.9	-18.6	31.9	0	0	0	111.4	A414 V416 W424 L426 V449 A451 F459	A414-P457 HydrophobicContact CB-CB 4.37Å; A414-P457 PolarHBondContact N-O 3.26Å; A414-P457 WeakPolarHBondContact O-CB 3.44Å; A414-P457 WeakPolarHBondContact O-CD 3.44Å; A414-P457 VanDerWaalsContact O-CG 3.29Å; A414-P457 WeakPolarHBondContact O-CG 3.42Å; V416-P457 HydrophobicContact CG2-CG 3.96Å; W424-P457 HydrophobicContact CB-CB 4.43Å; W424-P457 HydrophobicContact CB-CG 3.48Å; W424-P457 VanDerWaalsContact CB-CG 3.48Å; W424-P457 HydrophobicContact CG-CG 3.7Å; L426-P457 HydrophobicContact CD2-CB 4.16Å; V449-P457 HydrophobicContact CG2-CB 4.26Å; A451-P457 HydrophobicContact CB-CG 3.87Å; P457-F459 HydrophobicContact CB-CE2 4.42Å
458	V	99	Very high	98.8	Very high	2 Å²	2	46 Å²	46	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.3	-175	177.4	0	0	0	0	109	F328 I411 L412 V413 H435 A436 P456	F328-V458 HydrophobicContact CD1-CG1 4.16Å; F328-V458 HydrophobicContact CD1-CG2 4.28Å; F328-V458 HydrophobicContact CD2-CG2 4.04Å; F328-V458 HydrophobicContact CE1-CB 4.4Å; F328-V458 HydrophobicContact CE1-CG1 3.65Å; F328-V458 HydrophobicContact CE1-CG2 4.03Å; F328-V458 HydrophobicContact CE2-CG2 3.8Å; F328-V458 HydrophobicContact CG-CG2 4.29Å; F328-V458 HydrophobicContact CZ-CB 4.31Å; F328-V458 HydrophobicContact CZ-CG1 4.03Å; F328-V458 HydrophobicContact CZ-CG2 3.79Å; I411-V458 HydrophobicContact CG2-CG1 3.75Å; L412-V458 WeakPolarHBondContact O-CA 3.24Å; V413-V458 HydrophobicContact CG1-CG2 4.18Å; V413-V458 HydrophobicContact CG2-CG2 4.41Å; H435-V458 PolarHBondContact CD2-O 2.99Å; A436-V458 HydrophobicContact CB-CB 4.15Å; A436-V458 HydrophobicContact CB-CG1 3.99Å; A436-V458 WeakPolarHBondContact CB-O 3.26Å; A436-V458 PolarHBondContact N-O 2.82Å; P456-V458 HydrophobicContact CB-CG2 4.17Å; P456-V458 HydrophobicContact CG-CG2 3.93Å; P456-V458 PolarHBondContact O-N 3.01Å
459	F	98.9	Very high	98.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.4	-179.1	-58.4	-101.1	0	0	0	109	I411 L412 L426 L428 W433 V434 H435 F442 V447 V449 P457	I411-F459 CarbonylContact C-O 3.56Å; I411-F459 WeakPolarHBondContact CA-O 3.31Å; L412-F459 HydrophobicContact CD2-CD2 4.33Å; L412-F459 PolarHBondContact N-O 3.31Å; L412-F459 PolarHBondContact O-N 3.36Å; L426-F459 HydrophobicContact CD1-CD2 3.98Å; L426-F459 HydrophobicContact CD1-CE2 3.58Å; L426-F459 HydrophobicContact CD1-CZ 4.48Å; L426-F459 HydrophobicContact CD2-CE2 3.87Å; L426-F459 HydrophobicContact CD2-CZ 4.2Å; L426-F459 HydrophobicContact CG-CE2 4.31Å; L428-F459 HydrophobicContact CD1-CD1 4.21Å; L428-F459 HydrophobicContact CD1-CE1 4.21Å; L428-F459 HydrophobicContact CD2-CB 4.36Å; L428-F459 HydrophobicContact CD2-CD1 4.39Å; L428-F459 HydrophobicContact CD2-CD2 3.99Å; L428-F459 HydrophobicContact CD2-CE2 4.41Å; L428-F459 HydrophobicContact CD2-CG 3.99Å; W433-F459 HydrophobicContact CB-CB 4.33Å; W433-F459 HydrophobicContact CB-CD1 4.4Å; W433-F459 HydrophobicContact CD2-CB 4.36Å; W433-F459 HydrophobicContact CE3-CB 3.81Å; V434-F459 CarbonylContact O-C 3.29Å; V434-F459 VanDerWaalsContact O-CA 3.26Å; V434-F459 WeakPolarHBondContact O-CA 3.17Å; H435-F459 HydrophobicContact CB-CD1 3.9Å; H435-F459 HydrophobicContact CB-CE1 3.76Å; H435-F459 AromaticContact CD2-CE1 3.69Å; H435-F459 AromaticContact CD2-CZ 3.66Å; F442-F459 HydrophobicContact CD2-CD1 4.21Å; F442-F459 AromaticContact CD2-CE1 3.75Å; F442-F459 HydrophobicContact CD2-CE1 3.75Å; F442-F459 AromaticContact CE2-CE1 4Å; F442-F459 HydrophobicContact CE2-CE1 4Å; F442-F459 HydrophobicContact CG-CE1 4.19Å; V447-F459 HydrophobicContact CG2-CZ 4.41Å; V449-F459 HydrophobicContact CG1-CE1 4.32Å; V449-F459 HydrophobicContact CG1-CZ 3.79Å; V449-F459 HydrophobicContact CG2-CZ 4.1Å; P457-F459 HydrophobicContact CB-CE2 4.42Å
460	Y	98.9	Very high	98.8	Very high	22 Å²	22	43.4 Å²	43.4	9%	0.086	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	155.3	172.1	68.3	-90.8	0	0	0	111.6	D410 W433 V434 A462 A467 F470	D410-Y460 CarbonylContact O-C 3.24Å; D410-Y460 WeakPolarHBondContact O-CA 3.34Å; W433-Y460 CarbonylContact C-O 3.48Å; V434-Y460 HydrophobicContact CB-CD1 4.17Å; V434-Y460 HydrophobicContact CB-CD2 4.25Å; V434-Y460 HydrophobicContact CB-CE1 3.73Å; V434-Y460 HydrophobicContact CB-CE2 3.82Å; V434-Y460 HydrophobicContact CB-CG 4.42Å; V434-Y460 HydrophobicContact CG1-CE1 3.65Å; V434-Y460 HydrophobicContact CG1-CE2 4.25Å; V434-Y460 VanDerWaalsContact CG1-CZ 3.5Å; V434-Y460 WeakPolarHBondContact CG1-OH 3.22Å; V434-Y460 HydrophobicContact CG2-CE2 4.12Å; V434-Y460 PolarHBondContact N-O 3.28Å; V434-Y460 WeakPolarHBondContact O-CD1 3.36Å; V434-Y460 PolarHBondContact O-N 3.34Å; Y460-A462 PolarHBondContact O-N 3.09Å; Y460-A467 HydrophobicContact CE2-CB 4.19Å; Y460-F470 HydrophobicContact CD1-CB 3.69Å; Y460-F470 HydrophobicContact CD2-CB 3.82Å; Y460-F470 AromaticContact CD2-CD2 3.65Å; Y460-F470 HydrophobicContact CD2-CD2 3.65Å; Y460-F470 HydrophobicContact CD2-CG 4.23Å; Y460-F470 HydrophobicContact CE1-CB 3.96Å; Y460-F470 HydrophobicContact CE2-CB 4.09Å; Y460-F470 HydrophobicContact CE2-CD2 4.5Å; Y460-F470 HydrophobicContact CG-CB 3.6Å; Y460-F470 AromaticContact CG-CD2 3.71Å; Y460-F470 HydrophobicContact CG-CD2 3.71Å; Y460-F470 HydrophobicContact CG-CG 4.03Å
461	R	98.9	Very high	98.8	Very high	39 Å²	39	39.5 Å²	39.5	15%	0.147	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	125.6	176.5	-68.8	-178.1	59.4	-104.2	-9.7	110.6	D410 D431 W433 D463 S464	D410-R461 HydrophobicContact CB-CB 4.47Å; D410-R461 PolarHBondContact O-N 2.8Å; D410-R461 WeakPolarHBondContact OD1-CD 3.05Å; D410-R461 IonicContact OD1-CZ 2.78Å; D410-R461 IonicContact OD1-NH1 3.95Å; D410-R461 PolarHBondContact OD1-NH1 2.89Å; D431-R461 IonicContact OD1-NE 2.71Å; D431-R461 PolarHBondContact OD1-NE 2.9Å; D431-R461 IonicContact OD1-NH2 3.53Å; D431-R461 WeakPolarHBondContact OD2-CD 3.48Å; D431-R461 IonicContact OD2-CZ 3.78Å; D431-R461 IonicContact OD2-NE 2.64Å; D431-R461 PolarHBondContact OD2-NE 3.2Å; W433-R461 HydrophobicContact CE3-CG 4.13Å; W433-R461 HydrophobicContact CH2-CG 3.77Å; W433-R461 HydrophobicContact CZ2-CG 4.42Å; W433-R461 HydrophobicContact CZ3-CG 3.61Å; R461-D463 PolarHBondContact O-N 3.46Å; R461-S464 VanDerWaalsContact O-CB 3.28Å; R461-S464 WeakPolarHBondContact O-CB 3.29Å; R461-S464 PolarHBondContact O-N 3.42Å; R461-S464 VanDerWaalsContact O-N 3.12Å
462	A	98.8	Very high	98.8	Very high	44 Å²	44	41.6 Å²	41.6	36%	0.364	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-34.9	177.2	0	0	0	0	0	112.1	N432 V434 Y460 S464	N432-A462 HydrophobicContact CB-CB 3.89Å; N432-A462 WeakPolarHBondContact O-CB 3.12Å; N432-A462 PolarHBondContact O-N 3.1Å; V434-A462 HydrophobicContact CG2-CB 3.86Å; Y460-A462 PolarHBondContact O-N 3.09Å; A462-S464 VanDerWaalsContact C-N 3.29Å; A462-S464 PolarHBondContact O-N 2.88Å
463	D	98.7	Very high	98.7	Very high	101 Å²	101	38.9 Å²	38.9	54%	0.54	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	8	-177	-57.5	-54.6	0	0	0	113.6	N432 R461	N432-D463 PolarHBondContact ND2-OD2 2.82Å; R461-D463 PolarHBondContact O-N 3.46Å
464	S	98.7	Very high	98.6	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.063	23%	0.23	C	C	.	.			trans	-68.5	139.4	175.3	177.8	0	0	0	0	111.3	D410 R461 A462 W466 A467 F470	D410-S464 VanDerWaalsContact CG-CB 3.49Å; D410-S464 WeakPolarHBondContact OD2-CB 3.45Å; D410-S464 PolarHBondContact OD2-OG 3.47Å; R461-S464 VanDerWaalsContact O-CB 3.28Å; R461-S464 WeakPolarHBondContact O-CB 3.29Å; R461-S464 PolarHBondContact O-N 3.42Å; R461-S464 VanDerWaalsContact O-N 3.12Å; A462-S464 VanDerWaalsContact C-N 3.29Å; A462-S464 PolarHBondContact O-N 2.88Å; S464-W466 PolarHBondContact O-N 2.96Å; S464-W466 WeakPolarHBondContact OG-CB 3.22Å; S464-W466 PolarHBondContact OG-N 3.35Å; S464-A467 WeakPolarHBondContact O-CB 3.22Å; S464-A467 PolarHBondContact O-N 3.08Å; S464-F470 WeakPolarHBondContact OG-CE2 3.49Å
465	E	98.7	Very high	98.2	Very high	138 Å²	138	46.2 Å²	46.2	65%	0.645	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.8	167.7	68.7	-81.7	-165	0	0	112.6
466	W	98.8	Very high	97.8	Very high	57 Å²	57	44.5 Å²	44.5	22%	0.216	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	2.5	176.1	-62.1	99.8	0	0	0	113.2	P368 Y369 E372 S464 A468 L469 F470	P368-W466 HydrophobicContact CB-CH2 3.89Å; P368-W466 HydrophobicContact CB-CZ3 3.79Å; P368-W466 HydrophobicContact CG-CZ3 3.96Å; Y369-W466 HydrophobicContact CD2-CB 4.4Å; Y369-W466 AromaticContact CD2-CD1 3.6Å; Y369-W466 HydrophobicContact CD2-CD2 4.05Å; Y369-W466 AromaticContact CD2-CG 3.78Å; Y369-W466 HydrophobicContact CD2-CG 3.78Å; Y369-W466 AromaticContact CD2-NE1 3.76Å; Y369-W466 AromaticContact CE2-CD1 3.96Å; Y369-W466 HydrophobicContact CE2-CG 4.43Å; E372-W466 HydrophobicContact CB-CZ2 4.44Å; E372-W466 PolarHBondContact OE1-NE1 2.71Å; S464-W466 PolarHBondContact O-N 2.96Å; S464-W466 WeakPolarHBondContact OG-CB 3.22Å; S464-W466 PolarHBondContact OG-N 3.35Å; W466-A468 PolarHBondContact O-N 3.15Å; W466-A468 VanDerWaalsContact O-N 3.07Å; W466-L469 HydrophobicContact CE3-CB 4.46Å; W466-L469 HydrophobicContact CE3-CD2 3.76Å; W466-L469 HydrophobicContact CZ3-CD2 4.21Å; W466-L469 WeakPolarHBondContact O-CA 3.29Å; W466-L469 VanDerWaalsContact O-CB 3.28Å; W466-L469 WeakPolarHBondContact O-CB 3.3Å; W466-L469 PolarHBondContact O-N 2.62Å; W466-F470 HydrophobicContact CB-CD2 4.17Å; W466-F470 HydrophobicContact CB-CE1 3.8Å; W466-F470 HydrophobicContact CB-CE2 3.45Å; W466-F470 VanDerWaalsContact CB-CE2 3.45Å; W466-F470 HydrophobicContact CB-CZ 3.23Å; W466-F470 HydrophobicContact CG-CZ 4.07Å; W466-F470 WeakPolarHBondContact O-CD2 3.43Å; W466-F470 WeakPolarHBondContact O-CG 3.07Å; W466-F470 PolarHBondContact O-N 2.85Å; W466-F470 VanDerWaalsContact O-N 3.1Å
467	A	98.7	Very high	97.7	Very high	22 Å²	22	46.5 Å²	46.5	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-54.8	-34.3	-174.6	0	0	0	0	0	113.9	Y460 S464 F470 A471	Y460-A467 HydrophobicContact CE2-CB 4.19Å; S464-A467 WeakPolarHBondContact O-CB 3.22Å; S464-A467 PolarHBondContact O-N 3.08Å; A467-F470 PolarHBondContact O-N 2.56Å; A467-A471 WeakPolarHBondContact O-CB 3.49Å; A467-A471 PolarHBondContact O-N 2.78Å
468	A	98.6	Very high	97.7	Very high	85 Å²	85	48.9 Å²	48.9	70%	0.702	29%	0.285	S	S	*	.	H	α-helix	trans	-65.9	-38.2	175.6	0	0	0	0	0	112.6	W466 S472	W466-A468 PolarHBondContact O-N 3.15Å; W466-A468 VanDerWaalsContact O-N 3.07Å; A468-S472 PolarHBondContact O-N 3.21Å
469	L	98.8	Very high	97.6	Very high	38 Å²	38	51.6 Å²	51.6	20%	0.199	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-47.1	173.7	-178.1	67.3	0	0	0	110	T365 P368 W466 A471 S472	T365-L469 HydrophobicContact CG2-CD1 3.86Å; T365-L469 WeakPolarHBondContact O-CD1 3.36Å; P368-L469 HydrophobicContact CG-CD2 3.93Å; W466-L469 HydrophobicContact CE3-CB 4.46Å; W466-L469 HydrophobicContact CE3-CD2 3.76Å; W466-L469 HydrophobicContact CZ3-CD2 4.21Å; W466-L469 WeakPolarHBondContact O-CA 3.29Å; W466-L469 VanDerWaalsContact O-CB 3.28Å; W466-L469 WeakPolarHBondContact O-CB 3.3Å; W466-L469 PolarHBondContact O-N 2.62Å; L469-A471 PolarHBondContact O-N 3.19Å; L469-S472 WeakPolarHBondContact O-CB 3.38Å; L469-S472 PolarHBondContact O-N 3.26Å; L469-S472 VanDerWaalsContact O-N 3.14Å; L469-S472 PolarHBondContact O-OG 2.88Å
470	F	98.7	Very high	97.5	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-66.1	-39.9	-178	-52.6	-32.2	0	0	0	112.5	L366 Y369 D410 I411 Y460 S464 W466 A467 S472 L473	L366-F470 HydrophobicContact CD2-CD1 3.93Å; L366-F470 HydrophobicContact CD2-CE1 3.97Å; Y369-F470 HydrophobicContact CD1-CE1 4.25Å; Y369-F470 HydrophobicContact CD1-CZ 4.37Å; Y369-F470 HydrophobicContact CD2-CE1 4.24Å; Y369-F470 AromaticContact CD2-CZ 3.83Å; Y369-F470 HydrophobicContact CD2-CZ 3.83Å; Y369-F470 HydrophobicContact CE1-CZ 4.42Å; Y369-F470 AromaticContact CE2-CZ 3.87Å; Y369-F470 HydrophobicContact CE2-CZ 3.87Å; Y369-F470 HydrophobicContact CG-CE1 4.03Å; Y369-F470 HydrophobicContact CG-CZ 4.07Å; D410-F470 HydrophobicContact CB-CE2 3.86Å; D410-F470 HydrophobicContact CB-CZ 4.28Å; I411-F470 HydrophobicContact CD1-CD1 4Å; I411-F470 HydrophobicContact CD1-CE1 3.62Å; I411-F470 HydrophobicContact CD1-CZ 3.96Å; I411-F470 HydrophobicContact CG1-CD1 4.45Å; I411-F470 HydrophobicContact CG1-CE1 4.11Å; I411-F470 HydrophobicContact CG1-CE2 4.26Å; I411-F470 HydrophobicContact CG1-CZ 3.98Å; Y460-F470 HydrophobicContact CD1-CB 3.69Å; Y460-F470 HydrophobicContact CD2-CB 3.82Å; Y460-F470 AromaticContact CD2-CD2 3.65Å; Y460-F470 HydrophobicContact CD2-CD2 3.65Å; Y460-F470 HydrophobicContact CD2-CG 4.23Å; Y460-F470 HydrophobicContact CE1-CB 3.96Å; Y460-F470 HydrophobicContact CE2-CB 4.09Å; Y460-F470 HydrophobicContact CE2-CD2 4.5Å; Y460-F470 HydrophobicContact CG-CB 3.6Å; Y460-F470 AromaticContact CG-CD2 3.71Å; Y460-F470 HydrophobicContact CG-CD2 3.71Å; Y460-F470 HydrophobicContact CG-CG 4.03Å; S464-F470 WeakPolarHBondContact OG-CE2 3.49Å; W466-F470 HydrophobicContact CB-CD2 4.17Å; W466-F470 HydrophobicContact CB-CE1 3.8Å; W466-F470 HydrophobicContact CB-CE2 3.45Å; W466-F470 VanDerWaalsContact CB-CE2 3.45Å; W466-F470 HydrophobicContact CB-CZ 3.23Å; W466-F470 HydrophobicContact CG-CZ 4.07Å; W466-F470 WeakPolarHBondContact O-CD2 3.43Å; W466-F470 WeakPolarHBondContact O-CG 3.07Å; W466-F470 PolarHBondContact O-N 2.85Å; W466-F470 VanDerWaalsContact O-N 3.1Å; A467-F470 PolarHBondContact O-N 2.56Å; F470-S472 PolarHBondContact O-N 3.39Å; F470-L473 VanDerWaalsContact O-CB 3.29Å; F470-L473 WeakPolarHBondContact O-CB 3.5Å; F470-L473 WeakPolarHBondContact O-CG 3.3Å; F470-L473 PolarHBondContact O-N 2.84Å
471	A	98.6	Very high	97.4	Very high	47 Å²	47	56.6 Å²	56.6	39%	0.388	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-27	174.9	0	0	0	0	0	112.9	A467 L469 L473	A467-A471 WeakPolarHBondContact O-CB 3.49Å; A467-A471 PolarHBondContact O-N 2.78Å; L469-A471 PolarHBondContact O-N 3.19Å; A471-L473 VanDerWaalsContact C-N 3.29Å; A471-L473 PolarHBondContact O-N 3.37Å
472	S	98.6	Very high	97.3	Very high	43 Å²	43	57.8 Å²	57.8	30%	0.301	34%	0.344	S	S	.	.	H	α-helix	trans	-68.8	-25	176.7	82.1	0	0	0	0	113.2	A468 L469 F470 K474 S475	A468-S472 PolarHBondContact O-N 3.21Å; L469-S472 WeakPolarHBondContact O-CB 3.38Å; L469-S472 PolarHBondContact O-N 3.26Å; L469-S472 VanDerWaalsContact O-N 3.14Å; L469-S472 PolarHBondContact O-OG 2.88Å; F470-S472 PolarHBondContact O-N 3.39Å; S472-K474 PolarHBondContact O-N 3.48Å; S472-S475 PolarHBondContact O-N 2.65Å; S472-S475 PolarHBondContact O-OG 3.1Å
473	L	98	Very high	97.2	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.016	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-59.9	-33.7	-179.3	-61.5	-179.8	0	0	0	112.7	V362 T365 L366 W437 F470 A471 S475 I476	V362-L473 HydrophobicContact CG1-CD2 4.22Å; T365-L473 HydrophobicContact CG2-CD2 3.79Å; L366-L473 HydrophobicContact CD2-CD1 4.14Å; L366-L473 HydrophobicContact CD2-CD2 4.48Å; L366-L473 HydrophobicContact CG-CD2 4.48Å; W437-L473 HydrophobicContact CZ3-CB 4.47Å; F470-L473 VanDerWaalsContact O-CB 3.29Å; F470-L473 WeakPolarHBondContact O-CB 3.5Å; F470-L473 WeakPolarHBondContact O-CG 3.3Å; F470-L473 PolarHBondContact O-N 2.84Å; A471-L473 VanDerWaalsContact C-N 3.29Å; A471-L473 PolarHBondContact O-N 3.37Å; L473-S475 PolarHBondContact O-N 2.99Å; L473-I476 HydrophobicContact CD2-CD1 4.02Å; L473-I476 WeakPolarHBondContact O-CB 3.26Å; L473-I476 PolarHBondContact O-N 2.63Å
474	K	95.7	Very high	97.1	Very high	114 Å²	114	55.5 Å²	55.5	50%	0.496	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-61.7	-24.9	177.6	-173.3	166.1	71.8	89.4	0	113.4	W437 S472	W437-K474 WeakPolarHBondContact O-CD 3.32Å; W437-K474 WeakPolarHBondContact O-CG 3.13Å; S472-K474 PolarHBondContact O-N 3.48Å
475	S	90.1	Very high	97	Very high	107 Å²	107	59.4 Å²	59.4	75%	0.748	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-88.9	-12.3	-178.5	68.8	0	0	0	0	114	S472 L473	S472-S475 PolarHBondContact O-N 2.65Å; S472-S475 PolarHBondContact O-OG 3.1Å; L473-S475 PolarHBondContact O-N 2.99Å
476	I	90.2	Very high	96.8	Very high	58 Å²	58	52.3 Å²	52.3	30%	0.297	32%	0.323	S	S	.	.			trans	-79.7	0	167.9	-56.2	167.2	0	0	0	107.8	R358 T361 V362 T365 L473	R358-I476 PolarHBondContact NH1-O 3.34Å; R358-I476 PolarHBondContact NH1-OXT 2.77Å; R358-I476 PolarHBondContact NH2-OXT 3.25Å; T361-I476 HydrophobicContact CG2-CD1 4.07Å; T361-I476 HydrophobicContact CG2-CG1 4.26Å; T361-I476 HydrophobicContact CG2-CG2 3.73Å; V362-I476 HydrophobicContact CG2-CD1 4.49Å; V362-I476 HydrophobicContact CG2-CG2 4.29Å; T365-I476 HydrophobicContact CG2-CD1 4.3Å; T365-I476 WeakPolarHBondContact OG1-CD1 3.43Å; L473-I476 HydrophobicContact CD2-CD1 4.02Å; L473-I476 WeakPolarHBondContact O-CB 3.26Å; L473-I476 PolarHBondContact O-N 2.63Å

Retrieved 476 of 476 residues in 361.3 ms (Link to these results)

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