A0A087YLC2_POEFO Loading...

Peptidyl-prolyl cis-trans isomerase D

AlphaFold DB , UniProt , Accession A0A087YLC2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 397 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	34.5	Very low	36.5	Very low	242 Å²	242	151.5 Å²	151.5	100%	1.192	81%	0.808	S	S	*	*				0	139.4	0	-76.9	-170.3	176.3	0	0	107.8
2	P	50.8	Low	36.5	Very low	105 Å²	105	146.9 Å²	146.9	68%	0.682	81%	0.807	S	S	*	*			cis	-130.4	170.7	-14.9	8.9	17.4	0	0	0	115.5
3	F	33	Very low	36.4	Very low	186 Å²	186	145.1 Å²	145.1	82%	0.816	80%	0.803	S	S	*	*			trans	53.3	108.6	142.8	-67.1	-72	0	0	0	121.7
4	I	38	Very low	36.5	Very low	124 Å²	124	144.5 Å²	144.5	64%	0.636	81%	0.805	S	S	*	*				74	110.5	81.3	-64.4	-176.9	0	0	0	115.1
5	H	35.3	Very low	36.3	Very low	181 Å²	181	140.9 Å²	140.9	84%	0.838	79%	0.793	S	S	*	*				175.2	142	105.7	-107.4	-41.8	0	0	0	114.7
6	N	35.4	Very low	36.6	Very low	143 Å²	143	140 Å²	140	77%	0.765	80%	0.795	S	S	*	*			trans	-42	166	170	-101.3	-22.2	0	0	0	116
7	V	35.3	Very low	37.3	Very low	116 Å²	116	138.4 Å²	138.4	70%	0.703	79%	0.789	S	S	*	*				-168.8	162.7	52.8	-141.2	0	0	0	0	113.1
8	N	33.6	Very low	37.6	Very low	144 Å²	144	143 Å²	143	77%	0.77	79%	0.793	S	S	*	*			trans	98.7	82	152.6	-64.8	-13.8	0	0	0	119.5
9	G	35.2	Very low	38	Very low	78 Å²	78	141.1 Å²	141.1	80%	0.804	78%	0.782	S	S	*	*			trans	-93.4	124	151.7	0	0	0	0	0	110.8	S11	G9-S11 PolarHBondContact O-N 3.44Å
10	Y	33.8	Very low	37.9	Very low	245 Å²	245	138.9 Å²	138.9	96%	0.961	78%	0.776	S	S	*	*			trans	-72.5	117.1	165.2	-95.6	-99.2	0	0	0	108.9
11	S	36.3	Very low	37.8	Very low	103 Å²	103	140.4 Å²	140.4	72%	0.72	78%	0.777	S	S	*	*			trans	-117.2	114.4	163.3	179.9	0	0	0	0	107.5	G9 T13	G9-S11 PolarHBondContact O-N 3.44Å; S11-T13 PolarHBondContact O-N 3.39Å
12	A	36.7	Very low	37.9	Very low	96 Å²	96	136 Å²	136	79%	0.793	75%	0.754	S	S	*	*			trans	-74.3	104.2	174.1	0	0	0	0	0	108.9	V14	A12-V14 PolarHBondContact O-N 3.09Å
13	T	34.8	Very low	37.2	Very low	123 Å²	123	137.5 Å²	137.5	76%	0.755	76%	0.755	S	S	*	*			trans	-78.3	111.8	166.2	48.8	0	0	0	0	108.9	S11 S15	S11-T13 PolarHBondContact O-N 3.39Å; T13-S15 PolarHBondContact O-N 2.99Å
14	V	38.4	Very low	37.5	Very low	137 Å²	137	136.4 Å²	136.4	83%	0.83	75%	0.751	S	S	*	*			trans	-78.8	111.3	166.2	180	0	0	0	0	107.7	A12	A12-V14 PolarHBondContact O-N 3.09Å
15	S	33.5	Very low	37.7	Very low	90 Å²	90	137.2 Å²	137.2	63%	0.629	76%	0.755	S	S	*	*			trans	-69.8	131.2	173.5	-52.1	0	0	0	0	110.8	T13 T17	T13-S15 PolarHBondContact O-N 2.99Å; S15-T17 PolarHBondContact O-N 3.15Å
16	P	40.4	Very low	38.3	Very low	127 Å²	127	137.7 Å²	137.7	83%	0.825	76%	0.755	S	S	*	*			trans	-93	86.6	170.1	33.9	-26.5	0	0	0	109.2
17	T	49.7	Very low	39.3	Very low	113 Å²	113	137.7 Å²	137.7	69%	0.693	75%	0.752	S	S	*	*			trans	-139.9	131.4	166	51.9	0	0	0	0	108.4	S15	S15-T17 PolarHBondContact O-N 3.15Å
18	Y	41.6	Very low	41.2	Very low	221 Å²	221	134.6 Å²	134.6	87%	0.867	74%	0.736	S	S	*	*	S	Bend	trans	89.3	72.3	-166.8	-73.5	-95	0	0	0	115.3
19	N	46.6	Very low	43.8	Very low	107 Å²	107	131.2 Å²	131.2	57%	0.572	72%	0.715	S	S	*	*	S	Bend	trans	-171.8	2.9	135.3	-125.8	-21.3	0	0	0	117.9
20	S	35	Very low	46.2	Very low	97 Å²	97	130.8 Å²	130.8	68%	0.678	70%	0.704	S	S	*	*	H	α-helix	trans	-82	-27.9	-177.7	43.8	0	0	0	0	114
21	Q	35.5	Very low	48.7	Very low	170 Å²	170	119.6 Å²	119.6	79%	0.794	66%	0.661	S	S	*	*	H	α-helix	trans	-81.1	-26.5	179.8	-77.3	178.8	-17.6	0	0	114
22	Q	37	Very low	51	Low	151 Å²	151	116.7 Å²	116.7	71%	0.706	64%	0.64	S	S	*	*	H	α-helix	trans	-80	-21.3	177	-97.8	179.4	-0.9	0	0	113.6
23	L	36	Very low	53.3	Low	135 Å²	135	117.3 Å²	117.3	71%	0.707	64%	0.638	S	S	*	*	H	α-helix	trans	-79.7	-24.6	178.2	-127.9	81.5	0	0	0	113.1	L25	L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 3.11Å
24	F	39	Very low	55.8	Low	163 Å²	163	118.1 Å²	118.1	72%	0.715	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-72.4	-17.5	175.8	-100.4	-89.7	0	0	0	113.6	K26	F24-K26 VanDerWaalsContact C-N 3.34Å; F24-K26 PolarHBondContact O-N 3.44Å
25	L	43	Very low	58.2	Low	141 Å²	141	116.6 Å²	116.6	74%	0.738	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-82.9	-0.6	-175.8	-107.5	86.5	0	0	0	115.2	L23	L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 3.11Å
26	K	47.1	Very low	61	Low	192 Å²	192	114.6 Å²	114.6	84%	0.835	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-109.6	2.7	-177.8	-75.3	-170.1	177.3	-177.2	0	115.1	F24	F24-K26 VanDerWaalsContact C-N 3.34Å; F24-K26 PolarHBondContact O-N 3.44Å
27	M	57.4	Low	63.6	Low	143 Å²	143	109.8 Å²	109.8	70%	0.704	57%	0.57	S	S	*	*			trans	-99.1	112.4	171.5	-68	-167.5	170.5	0	0	108.7	H29	M27-H29 PolarHBondContact O-CE1 3.23Å; M27-H29 PolarHBondContact O-ND1 2.94Å
28	S	73.9	Confident	65.7	Low	51 Å²	51	106.4 Å²	106.4	36%	0.357	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-69.8	125.9	165.8	55.1	0	0	0	0	108.8	H135 K137	S28-H135 CarbonylContact C-O 3.32Å; S28-H135 WeakPolarHBondContact CA-O 3.32Å; S28-K137 WeakPolarHBondContact O-CE 3.3Å; S28-K137 WeakPolarHBondContact OG-CE 3.43Å
29	H	87.9	Confident	68.2	Low	73 Å²	73	100.3 Å²	100.3	34%	0.338	54%	0.535	S	S	.	.	B	Isolated β-bridge	trans	-96.2	154	-180	-62.3	76.4	0	0	0	110.4	M27 H135 Y136 K137	M27-H29 PolarHBondContact O-CE1 3.23Å; M27-H29 PolarHBondContact O-ND1 2.94Å; H29-H135 AromaticContact CE1-CE1 3.58Å; H29-H135 AromaticContact CG-CE1 3.72Å; H29-H135 AromaticContact CG-NE2 3.67Å; H29-H135 PolarHBondContact N-O 3.2Å; H29-H135 AromaticContact ND1-CE1 3.18Å; H29-H135 PolarHBondContact ND1-CE1 3.36Å; H29-H135 AromaticContact ND1-ND1 3.54Å; H29-H135 AromaticContact ND1-NE2 3.56Å; H29-Y136 HydrophobicContact CB-CD1 4.37Å; H29-Y136 WeakPolarHBondContact O-CA 3.29Å; H29-K137 PolarHBondContact O-N 3.37Å
30	A	86	Confident	70.6	Confident	68 Å²	68	103.1 Å²	103.1	56%	0.562	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-67.4	148.4	168.1	0	0	0	0	0	109.8	D139	A30-D139 WeakPolarHBondContact CA-OD2 3.27Å; A30-D139 VanDerWaalsContact CB-OD2 3.28Å; A30-D139 WeakPolarHBondContact CB-OD2 3.35Å
31	V	85.9	Confident	73.6	Confident	10 Å²	10	98.9 Å²	98.9	6%	0.061	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-73	136.8	176.1	-178.8	0	0	0	0	109.2	S33 F63 Y136 K137 D139 K140 L143 V174	V31-S33 PolarHBondContact O-N 2.87Å; V31-F63 HydrophobicContact CG1-CE2 4.13Å; V31-F63 HydrophobicContact CG1-CZ 3.76Å; V31-Y136 HydrophobicContact CB-CD1 4.43Å; V31-Y136 HydrophobicContact CG2-CD1 3.97Å; V31-Y136 HydrophobicContact CG2-CG 3.88Å; V31-K137 WeakPolarHBondContact CG2-O 3.3Å; V31-D139 PolarHBondContact N-OD2 3.36Å; V31-D139 VanDerWaalsContact N-OD2 3.12Å; V31-K140 HydrophobicContact CB-CD 4.43Å; V31-K140 VanDerWaalsContact CG1-CE 3.49Å; V31-L143 HydrophobicContact CB-CD2 4.04Å; V31-L143 HydrophobicContact CG1-CD2 3.76Å; V31-L143 HydrophobicContact CG2-CD1 3.91Å; V31-L143 HydrophobicContact CG2-CD2 3.74Å; V31-L143 HydrophobicContact CG2-CG 4.49Å; V31-V174 HydrophobicContact CG2-CG1 4.43Å
32	P	85.7	Confident	76.6	Confident	42 Å²	42	92.3 Å²	92.3	27%	0.273	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-51.4	137.9	177.5	-28.6	36.2	0	0	0	112	E34 Y136 K140	P32-E34 VanDerWaalsContact C-N 3.3Å; P32-Y136 HydrophobicContact CG-CE1 4.34Å; P32-K140 PolarHBondContact O-NZ 3.01Å
33	S	84.6	Confident	79.5	Confident	109 Å²	109	86.6 Å²	86.6	76%	0.762	46%	0.458	S	S	*	.	S	Bend	trans	-73.6	-25.8	176.9	51.2	0	0	0	0	112.5	V31	V31-S33 PolarHBondContact O-N 2.87Å
34	E	88	Confident	82.5	Confident	140 Å²	140	80.1 Å²	80.1	65%	0.654	43%	0.425	S	S	*	.	S	Bend	trans	-67.2	146.6	178.8	-63.8	-178.1	-177	0	0	111.7	P32 P36 S37 Q177	P32-E34 VanDerWaalsContact C-N 3.3Å; E34-P36 CarbonylContact C-O 3.58Å; E34-P36 CarbonylContact O-C 3.51Å; E34-S37 PolarHBondContact O-N 3.45Å; E34-Q177 PolarHBondContact O-NE2 3.02Å
35	K	88	Confident	85.3	Confident	106 Å²	106	73.6 Å²	73.6	46%	0.461	40%	0.396	S	S	.	.	S	Bend	trans	-136.6	107.7	-178.2	-69.2	-172.2	-179.6	-164.1	0	109.1	V178 L179	K35-V178 WeakPolarHBondContact CE-O 3.46Å; K35-V178 PolarHBondContact NZ-O 3.46Å; K35-L179 HydrophobicContact CB-CD2 3.71Å; K35-L179 HydrophobicContact CG-CD2 4.23Å
36	P	92.6	Very high	87.9	Confident	47 Å²	47	66.9 Å²	66.9	31%	0.305	36%	0.361	S	S	.	.	S	Bend	cis	-69.1	159.6	-4.8	32.3	-36	0	0	0	112.7	E34 E61 L179	E34-P36 CarbonylContact C-O 3.58Å; E34-P36 CarbonylContact O-C 3.51Å; P36-E61 WeakPolarHBondContact CA-OE2 3.39Å; P36-E61 HydrophobicContact CB-CG 4.39Å; P36-L179 HydrophobicContact CB-CD2 4.18Å
37	S	94.8	Very high	90.3	Very high	26 Å²	26	58.9 Å²	58.9	18%	0.182	33%	0.327	C	S	.	.	S	Bend	trans	-74.3	-29	173.3	69.1	0	0	0	0	112.8	E34 E61	E34-S37 PolarHBondContact O-N 3.45Å; S37-E61 WeakPolarHBondContact CB-OE1 3.34Å; S37-E61 VanDerWaalsContact N-CD 3.27Å; S37-E61 PolarHBondContact N-OE1 3.49Å; S37-E61 PolarHBondContact N-OE2 3.28Å; S37-E61 PolarHBondContact OG-OE1 3.15Å
38	N	94.9	Very high	92.2	Very high	42 Å²	42	52.1 Å²	52.1	23%	0.225	29%	0.294	C	S	.	.			trans	-143.9	125.7	174	-177	-20.1	0	0	0	108.6	E40 N41 E61 D65	N38-E40 PolarHBondContact O-N 3.18Å; N38-E40 PolarHBondContact OD1-N 2.91Å; N38-N41 HydrophobicContact CB-CB 4.38Å; N38-N41 WeakPolarHBondContact O-CB 3.41Å; N38-N41 PolarHBondContact O-N 3.36Å; N38-N41 VanDerWaalsContact O-N 3.1Å; N38-E61 PolarHBondContact N-OE1 3.41Å; N38-D65 PolarHBondContact ND2-OD2 3.05Å
39	P	93.8	Very high	93.4	Very high	94 Å²	94	51.5 Å²	51.5	61%	0.61	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.4	-178.4	26.1	-35.2	0	0	0	113.7	N41	P39-N41 VanDerWaalsContact C-N 3.31Å
40	E	96	Very high	93.8	Very high	166 Å²	166	49.4 Å²	49.4	78%	0.776	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-9.4	178.5	-57.3	-60.5	132.7	0	0	112.9	N38	N38-E40 PolarHBondContact O-N 3.18Å; N38-E40 PolarHBondContact OD1-N 2.91Å
41	N	98	Very high	94.3	Very high	8 Å²	8	50.1 Å²	50.1	4%	0.043	27%	0.272	C	S	.	.	S	Bend	trans	-68.2	137.7	178.8	-88.4	-19.1	0	0	0	111	N38 P39 E61 L62 A64 D65	N38-N41 HydrophobicContact CB-CB 4.38Å; N38-N41 WeakPolarHBondContact O-CB 3.41Å; N38-N41 PolarHBondContact O-N 3.36Å; N38-N41 VanDerWaalsContact O-N 3.1Å; P39-N41 VanDerWaalsContact C-N 3.31Å; N41-E61 HydrophobicContact CB-CG 3.89Å; N41-E61 PolarHBondContact ND2-OE1 3.15Å; N41-E61 VanDerWaalsContact ND2-OE1 3.09Å; N41-L62 WeakPolarHBondContact CB-O 3.48Å; N41-L62 PolarHBondContact OD1-O 3.09Å; N41-A64 PolarHBondContact OD1-N 2.88Å; N41-A64 VanDerWaalsContact OD1-N 3.08Å; N41-D65 PolarHBondContact ND2-OD1 3.07Å; N41-D65 PolarHBondContact OD1-N 3.11Å; N41-D65 VanDerWaalsContact OD1-N 3.16Å; N41-D65 PolarHBondContact OD1-OD1 3.48Å
42	P	98.3	Very high	94.6	Very high	32 Å²	32	52.8 Å²	52.8	21%	0.208	30%	0.302	C	S	.	.			trans	-58.9	143.1	175.2	-22.6	32.8	0	0	0	111.5	L62 A64	P42-L62 HydrophobicContact CB-CB 4.5Å; P42-L62 HydrophobicContact CB-CD1 4.44Å; P42-L62 PolarHBondContact O-N 3.06Å; P42-A64 VanDerWaalsContact CD-CB 3.45Å; P42-A64 HydrophobicContact CG-CB 4.02Å
43	R	98.5	Very high	94.9	Very high	30 Å²	30	56 Å²	56	11%	0.113	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.6	169.7	-68.8	164	-72.4	178.1	-10.4	109.1	V59 L60 L179 E209 H210 D212	R43-V59 HydrophobicContact CB-CG1 4.5Å; R43-L60 CarbonylContact C-O 3.44Å; R43-L60 VanDerWaalsContact CA-O 3.24Å; R43-L60 WeakPolarHBondContact CA-O 3.48Å; R43-L179 HydrophobicContact CG-CD1 3.62Å; R43-E209 WeakPolarHBondContact O-CG 3.45Å; R43-H210 HydrophobicContact CB-CB 4Å; R43-H210 PolarHBondContact O-N 3.05Å; R43-D212 IonicContact CZ-OD1 3.83Å; R43-D212 IonicContact NH1-OD1 3.71Å; R43-D212 PolarHBondContact NH1-OD1 3.26Å; R43-D212 IonicContact NH2-OD1 3.36Å; R43-D212 PolarHBondContact NH2-OD1 3.01Å; R43-D212 IonicContact NH2-OD2 3.7Å; R43-D212 PolarHBondContact NH2-OD2 3.47Å
44	V	98.7	Very high	95.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	163.1	175.6	-62.2	0	0	0	0	109.6	V59 L60 L62 F74 R75 C78 G208	V44-V59 CarbonylContact O-C 3.58Å; V44-V59 WeakPolarHBondContact O-CA 3.35Å; V44-L60 HydrophobicContact CG2-CB 3.87Å; V44-L60 HydrophobicContact CG2-CD1 4.25Å; V44-L60 PolarHBondContact N-O 2.98Å; V44-L60 PolarHBondContact O-N 3.46Å; V44-L62 HydrophobicContact CG1-CD1 3.79Å; V44-L62 HydrophobicContact CG1-CG 4.46Å; V44-L62 HydrophobicContact CG2-CD1 4.13Å; V44-L62 HydrophobicContact CG2-CD2 4.02Å; V44-L62 HydrophobicContact CG2-CG 4.15Å; V44-F74 HydrophobicContact CG2-CD1 4Å; V44-F74 HydrophobicContact CG2-CE1 3.83Å; V44-R75 HydrophobicContact CG1-CB 4.38Å; V44-R75 HydrophobicContact CG1-CG 4.1Å; V44-C78 HydrophobicContact CB-CB 4.16Å; V44-C78 HydrophobicContact CG1-CB 4.11Å; V44-G208 CarbonylContact C-O 3.53Å; V44-G208 VanDerWaalsContact CA-O 3.22Å; V44-G208 WeakPolarHBondContact CA-O 3.23Å; V44-G208 VanDerWaalsContact CB-O 3.28Å; V44-G208 WeakPolarHBondContact CB-O 3.43Å
45	F	98.3	Very high	95.4	Very high	26 Å²	26	51.8 Å²	51.8	11%	0.114	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	154.9	177.6	72.2	-88.8	0	0	0	112.7	R57 I58 V59 C207 G208 H210	F45-R57 HydrophobicContact CB-CG 4.02Å; F45-R57 HydrophobicContact CD2-CG 4.47Å; F45-I58 CarbonylContact C-O 3.53Å; F45-I58 WeakPolarHBondContact CA-O 3.34Å; F45-V59 HydrophobicContact CB-CG2 4.32Å; F45-C207 VanDerWaalsContact O-CA 3.27Å; F45-C207 WeakPolarHBondContact O-CA 3.37Å; F45-C207 WeakPolarHBondContact O-CB 3.11Å; F45-G208 WeakPolarHBondContact CD1-O 3.33Å; F45-G208 PolarHBondContact N-O 3.35Å; F45-G208 PolarHBondContact O-N 3.32Å; F45-H210 HydrophobicContact CD1-CB 4.24Å
46	F	98.5	Very high	95.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.2	163.5	-64.8	-31.3	0	0	0	109.4	V48 R57 I58 L60 F74 F94 F158 V204 C207	F46-V48 HydrophobicContact CB-CG2 4.23Å; F46-R57 CarbonylContact O-C 3.5Å; F46-R57 VanDerWaalsContact O-CA 3.29Å; F46-R57 WeakPolarHBondContact O-CA 3.34Å; F46-I58 HydrophobicContact CB-CB 4.47Å; F46-I58 PolarHBondContact N-O 2.96Å; F46-I58 PolarHBondContact O-N 3.05Å; F46-L60 HydrophobicContact CD2-CD1 3.97Å; F46-L60 HydrophobicContact CE2-CD1 3.81Å; F46-L60 HydrophobicContact CZ-CD1 4.44Å; F46-F74 HydrophobicContact CE1-CZ 4.45Å; F46-F74 HydrophobicContact CE2-CE1 4.35Å; F46-F74 AromaticContact CE2-CZ 3.79Å; F46-F74 HydrophobicContact CE2-CZ 3.79Å; F46-F74 AromaticContact CZ-CE1 3.8Å; F46-F74 HydrophobicContact CZ-CE1 3.8Å; F46-F74 HydrophobicContact CZ-CE2 4.35Å; F46-F74 AromaticContact CZ-CZ 3.39Å; F46-F74 HydrophobicContact CZ-CZ 3.39Å; F46-F94 HydrophobicContact CE1-CB 4.15Å; F46-F94 AromaticContact CE1-CD2 3.9Å; F46-F94 HydrophobicContact CE1-CD2 3.9Å; F46-F94 HydrophobicContact CE1-CG 4.35Å; F46-F94 AromaticContact CZ-CD2 3.91Å; F46-F94 HydrophobicContact CZ-CD2 3.91Å; F46-F94 HydrophobicContact CZ-CE2 4.37Å; F46-F94 HydrophobicContact CZ-CG 4.43Å; F46-F158 HydrophobicContact CD2-CZ 4.4Å; F46-F158 HydrophobicContact CE2-CE1 4.13Å; F46-F158 AromaticContact CE2-CE2 3.85Å; F46-F158 HydrophobicContact CE2-CE2 3.85Å; F46-F158 AromaticContact CE2-CZ 3.39Å; F46-F158 HydrophobicContact CE2-CZ 3.39Å; F46-F158 HydrophobicContact CZ-CE1 4.09Å; F46-F158 AromaticContact CZ-CZ 3.82Å; F46-F158 HydrophobicContact CZ-CZ 3.82Å; F46-V204 HydrophobicContact CB-CG1 4.09Å; F46-V204 HydrophobicContact CD1-CG1 3.49Å; F46-V204 VanDerWaalsContact CD1-CG1 3.49Å; F46-V204 HydrophobicContact CD1-CG2 4.35Å; F46-V204 HydrophobicContact CD2-CG2 4.33Å; F46-V204 HydrophobicContact CE1-CG1 4.04Å; F46-V204 HydrophobicContact CG-CG1 3.91Å; F46-V204 HydrophobicContact CG-CG2 4.18Å; F46-C207 HydrophobicContact CD1-CB 3.55Å; F46-C207 HydrophobicContact CE1-CB 3.87Å
47	D	97.2	Very high	95.7	Very high	24 Å²	24	48.1 Å²	48.1	13%	0.128	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.6	159.8	-68.7	-35.9	0	0	0	107.7	R57 V204 A205 D206	D47-R57 WeakPolarHBondContact OD1-CB 3.29Å; D47-R57 IonicContact OD1-CZ 2.64Å; D47-R57 IonicContact OD1-NE 2.79Å; D47-R57 PolarHBondContact OD1-NE 2.77Å; D47-R57 IonicContact OD1-NH2 3.1Å; D47-R57 PolarHBondContact OD1-NH2 2.91Å; D47-R57 VanDerWaalsContact OD1-NH2 3.16Å; D47-R57 IonicContact OD2-CZ 3.29Å; D47-R57 IonicContact OD2-NE 2.69Å; D47-R57 IonicContact OD2-NH2 2.73Å; D47-R57 PolarHBondContact OD2-NH2 3.18Å; D47-V204 CarbonylContact O-C 3.51Å; D47-A205 PolarHBondContact O-N 3.11Å; D47-D206 HydrophobicContact CB-CB 4.03Å; D47-D206 PolarHBondContact N-O 3Å; D47-D206 PolarHBondContact O-N 3.41Å
48	V	97.7	Very high	95.8	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.4	-172.4	179.2	0	0	0	0	110	F46 I50 A55 G56 I58 F99 V184 L188 I203	F46-V48 HydrophobicContact CB-CG2 4.23Å; V48-I50 HydrophobicContact CG1-CG1 4.35Å; V48-A55 HydrophobicContact CB-CB 4.47Å; V48-A55 HydrophobicContact CG1-CB 4.26Å; V48-A55 WeakPolarHBondContact O-CB 3.32Å; V48-A55 PolarHBondContact O-N 2.89Å; V48-G56 PolarHBondContact N-O 3.42Å; V48-G56 PolarHBondContact O-N 3.06Å; V48-I58 HydrophobicContact CG2-CD1 3.81Å; V48-I58 HydrophobicContact CG2-CG1 4.23Å; V48-F99 HydrophobicContact CG1-CE2 4.28Å; V48-F99 HydrophobicContact CG2-CE2 4.2Å; V48-V184 HydrophobicContact CB-CG1 3.89Å; V48-V184 HydrophobicContact CG1-CG1 4.26Å; V48-V184 HydrophobicContact CG2-CG1 4Å; V48-L188 HydrophobicContact CG1-CD1 3.99Å; V48-L188 HydrophobicContact CG1-CD2 3.89Å; V48-L188 HydrophobicContact CG1-CG 4.16Å; V48-L188 HydrophobicContact CG2-CD1 4.44Å; V48-I203 WeakPolarHBondContact CA-O 3.47Å
49	D	97.4	Very high	96	Very high	37 Å²	37	44.9 Å²	44.9	20%	0.198	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.4	166.6	-69.7	-6.4	0	0	0	110	E53 K54 C202 I203 A205	D49-E53 CarbonylContact C-O 3.51Å; D49-E53 VanDerWaalsContact CA-O 3.22Å; D49-E53 WeakPolarHBondContact CA-O 3.43Å; D49-K54 WeakPolarHBondContact OD1-CA 3.45Å; D49-K54 WeakPolarHBondContact OD1-CG 3.37Å; D49-C202 WeakPolarHBondContact O-CA 3.26Å; D49-I203 PolarHBondContact N-O 2.84Å; D49-I203 PolarHBondContact O-N 2.85Å; D49-A205 HydrophobicContact CB-CB 4.09Å; D49-A205 VanDerWaalsContact CG-CB 3.4Å; D49-A205 VanDerWaalsContact OD2-CB 3.31Å; D49-A205 WeakPolarHBondContact OD2-CB 3.41Å
50	I	97	Very high	96.2	Very high	30 Å²	30	40.4 Å²	40.4	15%	0.154	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.1	170.5	-61.5	173.5	0	0	0	107.1	V48 G52 E53 A55 M187 L188 V191 P201	V48-I50 HydrophobicContact CG1-CG1 4.35Å; I50-G52 PolarHBondContact O-N 3.18Å; I50-E53 PolarHBondContact N-O 3.37Å; I50-E53 PolarHBondContact O-N 3.09Å; I50-A55 HydrophobicContact CB-CB 4.39Å; I50-A55 HydrophobicContact CD1-CB 3.77Å; I50-A55 HydrophobicContact CG1-CB 3.83Å; I50-M187 HydrophobicContact CD1-CB 4.27Å; I50-L188 HydrophobicContact CD1-CD2 3.91Å; I50-L188 HydrophobicContact CD1-CG 4.31Å; I50-L188 HydrophobicContact CG1-CD2 3.92Å; I50-V191 HydrophobicContact CD1-CG1 4.27Å; I50-V191 HydrophobicContact CG2-CG1 4.2Å; I50-P201 WeakPolarHBondContact CA-O 3.41Å
51	D	96.4	Very high	96.3	Very high	83 Å²	83	32.5 Å²	32.5	44%	0.444	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	31.4	-179.2	-154	21.9	0	0	0	113.6	E53 K200 P201	D51-E53 VanDerWaalsContact C-N 3.25Å; D51-E53 PolarHBondContact O-N 3.47Å; D51-K200 HydrophobicContact CB-CB 4.12Å; D51-K200 HydrophobicContact CB-CD 3.95Å; D51-K200 HydrophobicContact CB-CG 4.33Å; D51-K200 WeakPolarHBondContact OD2-CD 3.36Å; D51-K200 VanDerWaalsContact OD2-CE 3.3Å; D51-K200 WeakPolarHBondContact OD2-CE 3.46Å; D51-K200 IonicContact OD2-NZ 3.36Å; D51-K200 PolarHBondContact OD2-NZ 3.15Å; D51-P201 PolarHBondContact N-O 3.25Å
52	G	93.4	Very high	96.3	Very high	66 Å²	66	32.1 Å²	32.1	68%	0.68	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.5	3.8	-176.8	0	0	0	0	0	114.9	I50	I50-G52 PolarHBondContact O-N 3.18Å
53	E	91.3	Very high	96.3	Very high	108 Å²	108	30.6 Å²	30.6	51%	0.505	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138.9	173.2	-61.2	-165.5	165.9	0	0	111.2	D49 I50 D51 A55 K270	D49-E53 CarbonylContact C-O 3.51Å; D49-E53 VanDerWaalsContact CA-O 3.22Å; D49-E53 WeakPolarHBondContact CA-O 3.43Å; I50-E53 PolarHBondContact N-O 3.37Å; I50-E53 PolarHBondContact O-N 3.09Å; D51-E53 VanDerWaalsContact C-N 3.25Å; D51-E53 PolarHBondContact O-N 3.47Å; E53-A55 PolarHBondContact O-N 3.25Å; E53-A55 VanDerWaalsContact O-N 3.14Å; E53-K270 IonicContact OE1-NZ 3.33Å; E53-K270 IonicContact OE2-NZ 2.77Å; E53-K270 PolarHBondContact OE2-NZ 3Å
54	K	91.5	Very high	96.3	Very high	147 Å²	147	30.6 Å²	30.6	64%	0.639	18%	0.175	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	117.1	173.5	-74.7	-177.6	175.8	-66.1	0	110.5	D49	D49-K54 WeakPolarHBondContact OD1-CA 3.45Å; D49-K54 WeakPolarHBondContact OD1-CG 3.37Å
55	A	91.7	Very high	96.3	Very high	14 Å²	14	34.5 Å²	34.5	12%	0.116	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-29.4	176.1	0	0	0	0	0	112.1	V48 I50 E53 V184 M187	V48-A55 HydrophobicContact CB-CB 4.47Å; V48-A55 HydrophobicContact CG1-CB 4.26Å; V48-A55 WeakPolarHBondContact O-CB 3.32Å; V48-A55 PolarHBondContact O-N 2.89Å; I50-A55 HydrophobicContact CB-CB 4.39Å; I50-A55 HydrophobicContact CD1-CB 3.77Å; I50-A55 HydrophobicContact CG1-CB 3.83Å; E53-A55 PolarHBondContact O-N 3.25Å; E53-A55 VanDerWaalsContact O-N 3.14Å; A55-V184 HydrophobicContact CB-CG1 4.4Å; A55-M187 HydrophobicContact CB-CE 4.13Å; A55-M187 WeakPolarHBondContact O-CE 3.42Å
56	G	92	Very high	96.2	Very high	22 Å²	22	34.7 Å²	34.7	23%	0.227	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.1	-174.7	175.2	0	0	0	0	0	112.9	V48	V48-G56 PolarHBondContact N-O 3.42Å; V48-G56 PolarHBondContact O-N 3.06Å
57	R	94.9	Very high	96.2	Very high	54 Å²	54	34.7 Å²	34.7	20%	0.204	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.1	-179.3	-177.7	169	-74.1	-171.4	-6.4	111.9	F45 F46 D47 V59 G181 W216	F45-R57 HydrophobicContact CB-CG 4.02Å; F45-R57 HydrophobicContact CD2-CG 4.47Å; F46-R57 CarbonylContact O-C 3.5Å; F46-R57 VanDerWaalsContact O-CA 3.29Å; F46-R57 WeakPolarHBondContact O-CA 3.34Å; D47-R57 WeakPolarHBondContact OD1-CB 3.29Å; D47-R57 IonicContact OD1-CZ 2.64Å; D47-R57 IonicContact OD1-NE 2.79Å; D47-R57 PolarHBondContact OD1-NE 2.77Å; D47-R57 IonicContact OD1-NH2 3.1Å; D47-R57 PolarHBondContact OD1-NH2 2.91Å; D47-R57 VanDerWaalsContact OD1-NH2 3.16Å; D47-R57 IonicContact OD2-CZ 3.29Å; D47-R57 IonicContact OD2-NE 2.69Å; D47-R57 IonicContact OD2-NH2 2.73Å; D47-R57 PolarHBondContact OD2-NH2 3.18Å; R57-V59 HydrophobicContact CG-CG2 4Å; R57-G181 WeakPolarHBondContact O-CA 3.31Å; R57-W216 WeakPolarHBondContact CD-O 3.44Å
58	I	97.2	Very high	96.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.8	165.9	-55.8	169.3	0	0	0	107.4	F45 F46 V48 L60 V178 V184 V185 L188	F45-I58 CarbonylContact C-O 3.53Å; F45-I58 WeakPolarHBondContact CA-O 3.34Å; F46-I58 HydrophobicContact CB-CB 4.47Å; F46-I58 PolarHBondContact N-O 2.96Å; F46-I58 PolarHBondContact O-N 3.05Å; V48-I58 HydrophobicContact CG2-CD1 3.81Å; V48-I58 HydrophobicContact CG2-CG1 4.23Å; I58-L60 HydrophobicContact CG2-CD2 4.09Å; I58-L60 HydrophobicContact CG2-CG 4.06Å; I58-V178 HydrophobicContact CG2-CG1 4.19Å; I58-V178 HydrophobicContact CG2-CG2 4.19Å; I58-V184 HydrophobicContact CD1-CB 4.32Å; I58-V184 HydrophobicContact CD1-CG1 4.04Å; I58-V184 HydrophobicContact CG1-CB 3.8Å; I58-V184 HydrophobicContact CG1-CG1 3.85Å; I58-V185 HydrophobicContact CD1-CG2 3.75Å; I58-V185 HydrophobicContact CG1-CG2 4.23Å; I58-V185 HydrophobicContact CG2-CG2 4.33Å; I58-L188 HydrophobicContact CD1-CD1 4.26Å
59	V	97.2	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.3	172	-172.6	0	0	0	0	109	R43 V44 F45 R57 L179 K180 H210 W216	R43-V59 HydrophobicContact CB-CG1 4.5Å; V44-V59 CarbonylContact O-C 3.58Å; V44-V59 WeakPolarHBondContact O-CA 3.35Å; F45-V59 HydrophobicContact CB-CG2 4.32Å; R57-V59 HydrophobicContact CG-CG2 4Å; V59-L179 HydrophobicContact CG1-CD1 4.48Å; V59-L179 PolarHBondContact O-N 2.94Å; V59-K180 HydrophobicContact CB-CB 4.11Å; V59-K180 HydrophobicContact CG2-CB 4.21Å; V59-K180 PolarHBondContact N-O 3.48Å; V59-K180 PolarHBondContact O-N 3.43Å; V59-H210 HydrophobicContact CG1-CB 4.42Å; V59-W216 HydrophobicContact CB-CE3 4.37Å; V59-W216 HydrophobicContact CB-CZ3 4.47Å; V59-W216 HydrophobicContact CG1-CE3 4.13Å; V59-W216 HydrophobicContact CG1-CZ3 3.88Å; V59-W216 HydrophobicContact CG2-CE3 4.23Å
60	L	98.4	Very high	96.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.5	-173.6	-62.3	156.3	0	0	0	109.4	R43 V44 F46 I58 F74 L144 I160 Q177 V178	R43-L60 CarbonylContact C-O 3.44Å; R43-L60 VanDerWaalsContact CA-O 3.24Å; R43-L60 WeakPolarHBondContact CA-O 3.48Å; V44-L60 HydrophobicContact CG2-CB 3.87Å; V44-L60 HydrophobicContact CG2-CD1 4.25Å; V44-L60 PolarHBondContact N-O 2.98Å; V44-L60 PolarHBondContact O-N 3.46Å; F46-L60 HydrophobicContact CD2-CD1 3.97Å; F46-L60 HydrophobicContact CE2-CD1 3.81Å; F46-L60 HydrophobicContact CZ-CD1 4.44Å; I58-L60 HydrophobicContact CG2-CD2 4.09Å; I58-L60 HydrophobicContact CG2-CG 4.06Å; L60-F74 HydrophobicContact CD1-CE1 3.99Å; L60-F74 HydrophobicContact CD1-CZ 4.21Å; L60-L144 HydrophobicContact CD1-CD2 4.24Å; L60-L144 HydrophobicContact CD2-CB 4.45Å; L60-L144 HydrophobicContact CD2-CD2 4.34Å; L60-I160 HydrophobicContact CD2-CD1 4.14Å; L60-Q177 CarbonylContact C-O 3.44Å; L60-Q177 WeakPolarHBondContact CA-O 3.47Å; L60-V178 HydrophobicContact CD2-CB 4.45Å; L60-V178 HydrophobicContact CD2-CG2 3.69Å
61	E	98.5	Very high	96.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	139.6	160.9	-179.4	-175.6	-174.5	0	0	109.1	P36 S37 N38 N41 F63 G176 Q177 L179	P36-E61 WeakPolarHBondContact CA-OE2 3.39Å; P36-E61 HydrophobicContact CB-CG 4.39Å; S37-E61 WeakPolarHBondContact CB-OE1 3.34Å; S37-E61 VanDerWaalsContact N-CD 3.27Å; S37-E61 PolarHBondContact N-OE1 3.49Å; S37-E61 PolarHBondContact N-OE2 3.28Å; S37-E61 PolarHBondContact OG-OE1 3.15Å; N38-E61 PolarHBondContact N-OE1 3.41Å; N41-E61 HydrophobicContact CB-CG 3.89Å; N41-E61 PolarHBondContact ND2-OE1 3.15Å; N41-E61 VanDerWaalsContact ND2-OE1 3.09Å; E61-F63 HydrophobicContact CG-CD1 4.25Å; E61-F63 HydrophobicContact CG-CE1 4.27Å; E61-G176 CarbonylContact O-C 3.57Å; E61-G176 WeakPolarHBondContact O-CA 3.3Å; E61-Q177 HydrophobicContact CB-CG 4.18Å; E61-Q177 PolarHBondContact N-O 2.92Å; E61-Q177 PolarHBondContact O-N 3.46Å; E61-Q177 PolarHBondContact OE2-NE2 2.93Å; E61-L179 HydrophobicContact CB-CD1 3.92Å; E61-L179 HydrophobicContact CB-CD2 3.9Å; E61-L179 HydrophobicContact CB-CG 3.8Å
62	L	98.8	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.1	171.6	-51.5	-178.4	0	0	0	109.2	N41 P42 V44 A64 A71 F74 R75 L144 F175	N41-L62 WeakPolarHBondContact CB-O 3.48Å; N41-L62 PolarHBondContact OD1-O 3.09Å; P42-L62 HydrophobicContact CB-CB 4.5Å; P42-L62 HydrophobicContact CB-CD1 4.44Å; P42-L62 PolarHBondContact O-N 3.06Å; V44-L62 HydrophobicContact CG1-CD1 3.79Å; V44-L62 HydrophobicContact CG1-CG 4.46Å; V44-L62 HydrophobicContact CG2-CD1 4.13Å; V44-L62 HydrophobicContact CG2-CD2 4.02Å; V44-L62 HydrophobicContact CG2-CG 4.15Å; L62-A64 PolarHBondContact O-N 2.9Å; L62-A71 HydrophobicContact CB-CB 3.87Å; L62-F74 HydrophobicContact CD1-CB 4.35Å; L62-F74 HydrophobicContact CD1-CD1 4.14Å; L62-F74 HydrophobicContact CD2-CB 4.48Å; L62-F74 HydrophobicContact CD2-CD1 3.66Å; L62-F74 HydrophobicContact CD2-CE1 4.23Å; L62-F74 HydrophobicContact CD2-CG 4.33Å; L62-R75 HydrophobicContact CD1-CB 3.78Å; L62-L144 HydrophobicContact CD2-CD2 3.75Å; L62-F175 CarbonylContact C-O 3.51Å; L62-F175 WeakPolarHBondContact CA-O 3.46Å; L62-F175 HydrophobicContact CD2-CD2 4.26Å; L62-F175 HydrophobicContact CD2-CE2 4.09Å
63	F	98.5	Very high	96.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.			trans	-74.4	65.5	-178.1	-55.6	-37.1	0	0	0	111.4	V31 E61 D65 V66 T67 Y136 V174 F175 G176 Q177	V31-F63 HydrophobicContact CG1-CE2 4.13Å; V31-F63 HydrophobicContact CG1-CZ 3.76Å; E61-F63 HydrophobicContact CG-CD1 4.25Å; E61-F63 HydrophobicContact CG-CE1 4.27Å; F63-D65 PolarHBondContact O-N 3.5Å; F63-V66 HydrophobicContact CB-CB 4.35Å; F63-V66 PolarHBondContact O-N 3.04Å; F63-V66 VanDerWaalsContact O-N 3.16Å; F63-T67 CarbonylContact O-C 3.55Å; F63-T67 PolarHBondContact O-N 3.06Å; F63-T67 PolarHBondContact O-OG1 3.33Å; F63-Y136 HydrophobicContact CB-CE2 4.43Å; F63-Y136 AromaticContact CD2-CD2 3.67Å; F63-Y136 HydrophobicContact CD2-CD2 3.67Å; F63-Y136 AromaticContact CD2-CE2 3.7Å; F63-Y136 HydrophobicContact CD2-CE2 3.7Å; F63-Y136 AromaticContact CE2-CD2 3.93Å; F63-Y136 HydrophobicContact CE2-CD2 3.93Å; F63-Y136 HydrophobicContact CE2-CE2 4.09Å; F63-Y136 HydrophobicContact CG-CD2 4.46Å; F63-Y136 HydrophobicContact CG-CE2 4.06Å; F63-V174 HydrophobicContact CE2-CG1 4.16Å; F63-F175 PolarHBondContact N-O 3.11Å; F63-G176 VanDerWaalsContact CD2-N 3.27Å; F63-G176 VanDerWaalsContact CE2-C 3.5Å; F63-G176 VanDerWaalsContact CE2-CA 3.49Å; F63-G176 WeakPolarHBondContact CE2-O 3.3Å; F63-Q177 HydrophobicContact CE1-CB 4.47Å; F63-Q177 HydrophobicContact CE1-CG 3.84Å; F63-Q177 HydrophobicContact CZ-CB 3.88Å; F63-Q177 HydrophobicContact CZ-CG 3.72Å
64	A	98.4	Very high	97.2	Very high	30 Å²	30	29.8 Å²	29.8	25%	0.248	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.7	-178.1	0	0	0	0	0	112.7	N41 P42 L62 V66 P68 A71	N41-A64 PolarHBondContact OD1-N 2.88Å; N41-A64 VanDerWaalsContact OD1-N 3.08Å; P42-A64 VanDerWaalsContact CD-CB 3.45Å; P42-A64 HydrophobicContact CG-CB 4.02Å; L62-A64 PolarHBondContact O-N 2.9Å; A64-V66 VanDerWaalsContact C-N 3.29Å; A64-P68 WeakPolarHBondContact O-CA 3.34Å; A64-P68 VanDerWaalsContact O-CB 3.29Å; A64-P68 WeakPolarHBondContact O-CB 3.45Å; A64-P68 WeakPolarHBondContact O-CD 3.47Å; A64-A71 HydrophobicContact CB-CB 3.86Å
65	D	97.7	Very high	97.6	Very high	82 Å²	82	24 Å²	24	44%	0.439	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.7	171.6	60.5	-21.4	0	0	0	114.1	N38 N41 F63	N38-D65 PolarHBondContact ND2-OD2 3.05Å; N41-D65 PolarHBondContact ND2-OD1 3.07Å; N41-D65 PolarHBondContact OD1-N 3.11Å; N41-D65 VanDerWaalsContact OD1-N 3.16Å; N41-D65 PolarHBondContact OD1-OD1 3.48Å; F63-D65 PolarHBondContact O-N 3.5Å
66	V	97.6	Very high	97.9	Very high	30 Å²	30	23.3 Å²	23.3	18%	0.182	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-41.1	-179.1	-178	0	0	0	0	112.9	F63 A64 P68 N133 H135 Y136	F63-V66 HydrophobicContact CB-CB 4.35Å; F63-V66 PolarHBondContact O-N 3.04Å; F63-V66 VanDerWaalsContact O-N 3.16Å; A64-V66 VanDerWaalsContact C-N 3.29Å; V66-P68 VanDerWaalsContact C-CD 3.48Å; V66-N133 PolarHBondContact O-ND2 2.95Å; V66-H135 HydrophobicContact CG1-CB 3.64Å; V66-Y136 HydrophobicContact CB-CE2 4.12Å; V66-Y136 HydrophobicContact CG1-CD2 4.38Å; V66-Y136 HydrophobicContact CG1-CE2 4.06Å; V66-Y136 HydrophobicContact CG2-CE2 3.8Å
67	T	98	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.			trans	-128.8	64.2	-178	49.6	0	0	0	0	110.9	F63 K69 T70 A71 E132 V173 F175	F63-T67 CarbonylContact O-C 3.55Å; F63-T67 PolarHBondContact O-N 3.06Å; F63-T67 PolarHBondContact O-OG1 3.33Å; T67-K69 PolarHBondContact O-N 3.05Å; T67-T70 PolarHBondContact O-N 3.45Å; T67-A71 VanDerWaalsContact O-CB 3.25Å; T67-A71 WeakPolarHBondContact O-CB 3.29Å; T67-A71 PolarHBondContact O-N 3.27Å; T67-E132 VanDerWaalsContact CA-OE2 3.27Å; T67-E132 WeakPolarHBondContact CA-OE2 3.25Å; T67-E132 WeakPolarHBondContact CB-OE2 3.47Å; T67-V173 HydrophobicContact CG2-CG1 3.83Å; T67-F175 WeakPolarHBondContact OG1-CB 3.3Å
68	P	98.6	Very high	98.4	Very high	68 Å²	68	19.7 Å²	19.7	44%	0.442	11%	0.105	S	C	.	.	H	α-helix	trans	-58.9	-38.5	-173.1	19.4	-31.6	0	0	0	114.2	A64 V66 E72 E132	A64-P68 WeakPolarHBondContact O-CA 3.34Å; A64-P68 VanDerWaalsContact O-CB 3.29Å; A64-P68 WeakPolarHBondContact O-CB 3.45Å; A64-P68 WeakPolarHBondContact O-CD 3.47Å; V66-P68 VanDerWaalsContact C-CD 3.48Å; P68-E72 VanDerWaalsContact O-CB 3.31Å; P68-E72 WeakPolarHBondContact O-CB 3.39Å; P68-E72 PolarHBondContact O-N 3.42Å; P68-E132 WeakPolarHBondContact CD-OE1 3.39Å; P68-E132 WeakPolarHBondContact CG-OE1 3.38Å
69	K	98.8	Very high	98.5	Very high	116 Å²	116	21.8 Å²	21.8	50%	0.504	12%	0.118	S	C	.	.	H	α-helix	trans	-71.8	-41.6	180	-61.1	178	100.4	-173.4	0	111	T67 N73 Y125 E132	T67-K69 PolarHBondContact O-N 3.05Å; K69-N73 WeakPolarHBondContact O-CB 3.26Å; K69-N73 PolarHBondContact O-N 2.98Å; K69-Y125 HydrophobicContact CB-CE2 4.26Å; K69-Y125 WeakPolarHBondContact O-CE2 3.44Å; K69-Y125 PolarHBondContact O-OH 3.39Å; K69-E132 WeakPolarHBondContact CB-OE1 3.29Å; K69-E132 WeakPolarHBondContact CG-OE1 3.37Å; K69-E132 PolarHBondContact N-OE1 3.31Å; K69-E132 PolarHBondContact N-OE2 3.39Å; K69-E132 VanDerWaalsContact N-OE2 3.16Å
70	T	98.8	Very high	98.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.8	-42.4	178.8	-47.2	0	0	0	0	110.6	T67 N73 F74 F129 E132 M146 V173 F175	T67-T70 PolarHBondContact O-N 3.45Å; T70-N73 PolarHBondContact O-N 3.02Å; T70-F74 PolarHBondContact O-N 3.06Å; T70-F74 VanDerWaalsContact O-N 3.15Å; T70-F129 HydrophobicContact CG2-CZ 4.27Å; T70-E132 WeakPolarHBondContact CB-OE2 3.18Å; T70-E132 PolarHBondContact N-OE2 2.93Å; T70-E132 PolarHBondContact OG1-OE2 3.43Å; T70-M146 HydrophobicContact CG2-CG 3.54Å; T70-M146 HydrophobicContact CG2-SD 3.88Å; T70-V173 HydrophobicContact CG2-CG1 4.15Å; T70-F175 HydrophobicContact CG2-CB 3.56Å; T70-F175 HydrophobicContact CG2-CD1 3.63Å; T70-F175 HydrophobicContact CG2-CD2 4.02Å; T70-F175 HydrophobicContact CG2-CE1 4.29Å; T70-F175 HydrophobicContact CG2-CG 3.47Å; T70-F175 VanDerWaalsContact CG2-CG 3.47Å
71	A	98.8	Very high	98.6	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-49.2	174.5	0	0	0	0	0	112.3	L62 A64 T67 N73 F74 R75	L62-A71 HydrophobicContact CB-CB 3.87Å; A64-A71 HydrophobicContact CB-CB 3.86Å; T67-A71 VanDerWaalsContact O-CB 3.25Å; T67-A71 WeakPolarHBondContact O-CB 3.29Å; T67-A71 PolarHBondContact O-N 3.27Å; A71-N73 VanDerWaalsContact C-N 3.33Å; A71-N73 PolarHBondContact O-N 3.48Å; A71-F74 PolarHBondContact O-N 3.33Å; A71-R75 WeakPolarHBondContact O-CB 3.5Å; A71-R75 PolarHBondContact O-N 3.35Å
72	E	98.9	Very high	98.6	Very high	59 Å²	59	31.6 Å²	31.6	28%	0.276	17%	0.168	S	C	.	.	H	α-helix	trans	-64.3	-37	179.2	171.9	56.6	-166.5	0	0	112.2	P68 F74 R75 A76 K82 I124	P68-E72 VanDerWaalsContact O-CB 3.31Å; P68-E72 WeakPolarHBondContact O-CB 3.39Å; P68-E72 PolarHBondContact O-N 3.42Å; E72-F74 PolarHBondContact O-N 3.05Å; E72-R75 IonicContact OE1-CZ 3.43Å; E72-R75 IonicContact OE1-NH2 3.11Å; E72-R75 PolarHBondContact OE1-NH2 3.45Å; E72-R75 IonicContact OE2-CZ 3.22Å; E72-R75 IonicContact OE2-NE 2.95Å; E72-R75 PolarHBondContact OE2-NE 3.21Å; E72-R75 IonicContact OE2-NH2 3.98Å; E72-R75 PolarHBondContact OE2-NH2 2.85Å; E72-A76 VanDerWaalsContact O-CB 3.24Å; E72-A76 WeakPolarHBondContact O-CB 3.48Å; E72-A76 PolarHBondContact O-N 3.07Å; E72-K82 IonicContact OE1-NZ 3.16Å; E72-K82 PolarHBondContact OE1-NZ 3.18Å; E72-I124 HydrophobicContact CG-CD1 4.02Å
73	N	98.9	Very high	98.6	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-56.4	-51.3	172.1	176.7	63	0	0	0	111.4	K69 T70 A71 L77 S123 I124 Y125 F129 G155	K69-N73 WeakPolarHBondContact O-CB 3.26Å; K69-N73 PolarHBondContact O-N 2.98Å; T70-N73 PolarHBondContact O-N 3.02Å; A71-N73 VanDerWaalsContact C-N 3.33Å; A71-N73 PolarHBondContact O-N 3.48Å; N73-L77 WeakPolarHBondContact O-CB 3.29Å; N73-L77 VanDerWaalsContact O-CG 3.25Å; N73-L77 WeakPolarHBondContact O-CG 3.44Å; N73-L77 PolarHBondContact O-N 3.13Å; N73-L77 VanDerWaalsContact O-N 3.08Å; N73-S123 WeakPolarHBondContact OD1-CA 3.49Å; N73-S123 VanDerWaalsContact OD1-CB 3.32Å; N73-S123 WeakPolarHBondContact OD1-CB 3.22Å; N73-I124 HydrophobicContact CB-CD1 4.5Å; N73-I124 HydrophobicContact CB-CG1 4.22Å; N73-I124 PolarHBondContact OD1-N 3.01Å; N73-Y125 HydrophobicContact CB-CE2 3.91Å; N73-F129 HydrophobicContact CB-CZ 4.43Å; N73-G155 PolarHBondContact ND2-O 3.19Å
74	F	98.9	Very high	98.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.7	-43.8	-178.2	-163	-92.1	0	0	0	112.4	V44 F46 L60 L62 T70 A71 E72 A76 L77 C78 F94 L144 F158 F175	V44-F74 HydrophobicContact CG2-CD1 4Å; V44-F74 HydrophobicContact CG2-CE1 3.83Å; F46-F74 HydrophobicContact CE1-CZ 4.45Å; F46-F74 HydrophobicContact CE2-CE1 4.35Å; F46-F74 AromaticContact CE2-CZ 3.79Å; F46-F74 HydrophobicContact CE2-CZ 3.79Å; F46-F74 AromaticContact CZ-CE1 3.8Å; F46-F74 HydrophobicContact CZ-CE1 3.8Å; F46-F74 HydrophobicContact CZ-CE2 4.35Å; F46-F74 AromaticContact CZ-CZ 3.39Å; F46-F74 HydrophobicContact CZ-CZ 3.39Å; L60-F74 HydrophobicContact CD1-CE1 3.99Å; L60-F74 HydrophobicContact CD1-CZ 4.21Å; L62-F74 HydrophobicContact CD1-CB 4.35Å; L62-F74 HydrophobicContact CD1-CD1 4.14Å; L62-F74 HydrophobicContact CD2-CB 4.48Å; L62-F74 HydrophobicContact CD2-CD1 3.66Å; L62-F74 HydrophobicContact CD2-CE1 4.23Å; L62-F74 HydrophobicContact CD2-CG 4.33Å; T70-F74 PolarHBondContact O-N 3.06Å; T70-F74 VanDerWaalsContact O-N 3.15Å; A71-F74 PolarHBondContact O-N 3.33Å; E72-F74 PolarHBondContact O-N 3.05Å; F74-A76 VanDerWaalsContact C-N 3.35Å; F74-A76 PolarHBondContact O-N 3.33Å; F74-L77 PolarHBondContact O-N 2.89Å; F74-C78 PolarHBondContact O-N 3.29Å; F74-C78 PolarHBondContact O-SG 3Å; F74-C78 VanDerWaalsContact O-SG 3.36Å; F74-F94 HydrophobicContact CD1-CE2 4.42Å; F74-F94 AromaticContact CD2-CE2 3.69Å; F74-F94 HydrophobicContact CD2-CE2 3.69Å; F74-F94 AromaticContact CD2-CZ 3.93Å; F74-F94 HydrophobicContact CD2-CZ 3.93Å; F74-F94 HydrophobicContact CE1-CE2 4.35Å; F74-F94 AromaticContact CE2-CE2 3.61Å; F74-F94 HydrophobicContact CE2-CE2 3.61Å; F74-F94 AromaticContact CE2-CZ 3.88Å; F74-F94 HydrophobicContact CE2-CZ 3.88Å; F74-F94 HydrophobicContact CG-CE2 4.13Å; F74-F94 AromaticContact CZ-CE2 3.99Å; F74-F94 HydrophobicContact CZ-CE2 3.99Å; F74-L144 HydrophobicContact CD1-CD2 4.2Å; F74-L144 HydrophobicContact CE1-CD2 3.85Å; F74-L144 HydrophobicContact CE2-CD1 4.2Å; F74-L144 HydrophobicContact CE2-CD2 4.21Å; F74-L144 HydrophobicContact CZ-CD1 4.03Å; F74-L144 HydrophobicContact CZ-CD2 3.83Å; F74-F158 HydrophobicContact CE2-CB 3.93Å; F74-F158 AromaticContact CE2-CD1 3.52Å; F74-F158 HydrophobicContact CE2-CD1 3.52Å; F74-F158 HydrophobicContact CE2-CD2 4.19Å; F74-F158 HydrophobicContact CE2-CE1 4.01Å; F74-F158 AromaticContact CE2-CG 3.62Å; F74-F158 HydrophobicContact CE2-CG 3.62Å; F74-F158 HydrophobicContact CZ-CD1 4.2Å; F74-F158 HydrophobicContact CZ-CD2 4.41Å; F74-F158 HydrophobicContact CZ-CE1 4.28Å; F74-F158 HydrophobicContact CZ-CG 4.26Å; F74-F158 HydrophobicContact CZ-CZ 4.45Å; F74-F175 HydrophobicContact CB-CD2 4.38Å; F74-F175 HydrophobicContact CB-CE2 3.54Å; F74-F175 HydrophobicContact CB-CZ 4.19Å; F74-F175 HydrophobicContact CD1-CE2 4.15Å; F74-F175 AromaticContact CD2-CE2 3.58Å; F74-F175 HydrophobicContact CD2-CE2 3.58Å; F74-F175 AromaticContact CD2-CZ 3.44Å; F74-F175 HydrophobicContact CD2-CZ 3.44Å; F74-F175 VanDerWaalsContact CD2-CZ 3.44Å; F74-F175 HydrophobicContact CE2-CE2 4.24Å; F74-F175 AromaticContact CE2-CZ 3.88Å; F74-F175 HydrophobicContact CE2-CZ 3.88Å; F74-F175 AromaticContact CG-CE2 3.5Å; F74-F175 HydrophobicContact CG-CE2 3.5Å; F74-F175 VanDerWaalsContact CG-CE2 3.5Å; F74-F175 AromaticContact CG-CZ 3.89Å; F74-F175 HydrophobicContact CG-CZ 3.89Å
75	R	98.9	Very high	98.6	Very high	25 Å²	25	37.1 Å²	37.1	9%	0.094	20%	0.201	C	C	.	.	H	α-helix	trans	-55.9	-49.9	177.1	-170.8	-157.4	64.7	75.2	7.7	111.3	V44 L62 A71 E72 L77 C78 T79 E81 E209	V44-R75 HydrophobicContact CG1-CB 4.38Å; V44-R75 HydrophobicContact CG1-CG 4.1Å; L62-R75 HydrophobicContact CD1-CB 3.78Å; A71-R75 WeakPolarHBondContact O-CB 3.5Å; A71-R75 PolarHBondContact O-N 3.35Å; E72-R75 IonicContact OE1-CZ 3.43Å; E72-R75 IonicContact OE1-NH2 3.11Å; E72-R75 PolarHBondContact OE1-NH2 3.45Å; E72-R75 IonicContact OE2-CZ 3.22Å; E72-R75 IonicContact OE2-NE 2.95Å; E72-R75 PolarHBondContact OE2-NE 3.21Å; E72-R75 IonicContact OE2-NH2 3.98Å; E72-R75 PolarHBondContact OE2-NH2 2.85Å; R75-L77 VanDerWaalsContact C-N 3.32Å; R75-L77 PolarHBondContact O-N 3.12Å; R75-C78 WeakPolarHBondContact O-CB 3.33Å; R75-C78 PolarHBondContact O-N 2.7Å; R75-C78 VanDerWaalsContact O-N 3.08Å; R75-T79 PolarHBondContact O-N 3.06Å; R75-E81 IonicContact CZ-OE1 3.9Å; R75-E81 IonicContact CZ-OE2 2.86Å; R75-E81 IonicContact NH1-OE2 2.8Å; R75-E81 PolarHBondContact NH1-OE2 3.28Å; R75-E81 IonicContact NH2-OE1 2.96Å; R75-E81 PolarHBondContact NH2-OE1 2.88Å; R75-E81 IonicContact NH2-OE2 3.84Å; R75-E81 PolarHBondContact NH2-OE2 3.46Å; R75-E81 VanDerWaalsContact NH2-OE2 3.11Å; R75-E209 HydrophobicContact CG-CG 4.41Å; R75-E209 IonicContact CZ-OE2 2.78Å; R75-E209 IonicContact NH1-OE2 2.7Å; R75-E209 PolarHBondContact NH1-OE2 3.38Å
76	A	98.8	Very high	98.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-32.9	-179.8	0	0	0	0	0	113.1	E72 F74 C78 T79 G80 E81 K82 I124	E72-A76 VanDerWaalsContact O-CB 3.24Å; E72-A76 WeakPolarHBondContact O-CB 3.48Å; E72-A76 PolarHBondContact O-N 3.07Å; F74-A76 VanDerWaalsContact C-N 3.35Å; F74-A76 PolarHBondContact O-N 3.33Å; A76-C78 VanDerWaalsContact C-N 3.32Å; A76-T79 PolarHBondContact O-N 3.23Å; A76-T79 PolarHBondContact O-OG1 3.43Å; A76-G80 PolarHBondContact O-N 2.9Å; A76-E81 HydrophobicContact CB-CG 4.22Å; A76-K82 HydrophobicContact CB-CD 4.49Å; A76-K82 HydrophobicContact CB-CG 3.86Å; A76-I124 HydrophobicContact CB-CD1 3.98Å; A76-I124 HydrophobicContact CB-CG2 3.92Å
77	L	98.9	Very high	98.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-71.6	-25.1	172	-71.4	168.5	0	0	0	112.5	N73 F74 R75 L92 H93 F94 F113 I124	N73-L77 WeakPolarHBondContact O-CB 3.29Å; N73-L77 VanDerWaalsContact O-CG 3.25Å; N73-L77 WeakPolarHBondContact O-CG 3.44Å; N73-L77 PolarHBondContact O-N 3.13Å; N73-L77 VanDerWaalsContact O-N 3.08Å; F74-L77 PolarHBondContact O-N 2.89Å; R75-L77 VanDerWaalsContact C-N 3.32Å; R75-L77 PolarHBondContact O-N 3.12Å; L77-L92 HydrophobicContact CD2-CB 3.89Å; L77-L92 HydrophobicContact CD2-CD2 4.15Å; L77-H93 CarbonylContact O-C 3.56Å; L77-H93 VanDerWaalsContact O-CA 3.29Å; L77-H93 WeakPolarHBondContact O-CA 3.47Å; L77-H93 PolarHBondContact O-CD2 3.24Å; L77-F94 HydrophobicContact CB-CD2 3.72Å; L77-F94 HydrophobicContact CB-CE1 4.17Å; L77-F94 HydrophobicContact CB-CE2 3.33Å; L77-F94 HydrophobicContact CB-CG 4.3Å; L77-F94 HydrophobicContact CB-CZ 3.58Å; L77-F94 HydrophobicContact CD1-CE1 4.15Å; L77-F94 HydrophobicContact CD1-CE2 4.2Å; L77-F94 HydrophobicContact CD1-CZ 3.62Å; L77-F94 HydrophobicContact CG-CE2 4.39Å; L77-F94 HydrophobicContact CG-CZ 4.2Å; L77-F94 PolarHBondContact O-N 2.98Å; L77-F113 HydrophobicContact CD2-CE1 3.99Å; L77-I124 HydrophobicContact CD2-CG2 4.31Å; L77-I124 HydrophobicContact CG-CG2 4.1Å
78	C	98.9	Very high	98.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-73.3	-35.9	169.1	-67.7	0	0	0	0	112.2	V44 F74 R75 A76 H93 C207 G208	V44-C78 HydrophobicContact CB-CB 4.16Å; V44-C78 HydrophobicContact CG1-CB 4.11Å; F74-C78 PolarHBondContact O-N 3.29Å; F74-C78 PolarHBondContact O-SG 3Å; F74-C78 VanDerWaalsContact O-SG 3.36Å; R75-C78 WeakPolarHBondContact O-CB 3.33Å; R75-C78 PolarHBondContact O-N 2.7Å; R75-C78 VanDerWaalsContact O-N 3.08Å; A76-C78 VanDerWaalsContact C-N 3.32Å; C78-H93 PolarHBondContact O-CD2 2.82Å; C78-H93 PolarHBondContact O-NE2 3.45Å; C78-C207 CarbonylContact O-C 3.47Å; C78-C207 PolarHBondContact O-SG 3.08Å; C78-G208 WeakPolarHBondContact O-CA 3.37Å; C78-G208 PolarHBondContact O-N 3.43Å
79	T	98.8	Very high	98.4	Very high	44 Å²	44	46.3 Å²	46.3	27%	0.27	26%	0.255	S	S	.	.	H	α-helix	trans	-86.9	-22.4	-178.7	63.6	0	0	0	0	113.9	R75 A76 E81 E209	R75-T79 PolarHBondContact O-N 3.06Å; A76-T79 PolarHBondContact O-N 3.23Å; A76-T79 PolarHBondContact O-OG1 3.43Å; T79-E81 PolarHBondContact O-N 3.37Å; T79-E81 WeakPolarHBondContact OG1-CB 3.31Å; T79-E81 VanDerWaalsContact OG1-CG 3.3Å; T79-E81 WeakPolarHBondContact OG1-CG 3.44Å; T79-E81 PolarHBondContact OG1-N 3.5Å; T79-E81 PolarHBondContact OG1-OE2 3.32Å; T79-E81 VanDerWaalsContact OG1-OE2 3.05Å; T79-E209 HydrophobicContact CG2-CB 3.84Å
80	G	98.6	Very high	98.4	Very high	20 Å²	20	45.7 Å²	45.7	21%	0.206	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	9.7	-174.2	0	0	0	0	0	114.3	A76 K82 G83 L92	A76-G80 PolarHBondContact O-N 2.9Å; G80-K82 PolarHBondContact O-N 3.08Å; G80-K82 VanDerWaalsContact O-N 3.14Å; G80-G83 PolarHBondContact O-N 3.24Å; G80-L92 WeakPolarHBondContact CA-O 3.5Å
81	E	98.6	Very high	98.4	Very high	98 Å²	98	49.2 Å²	49.2	46%	0.458	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.1	-167.4	69.7	-177.9	-134.3	0	0	114.4	R75 A76 T79 G83	R75-E81 IonicContact CZ-OE1 3.9Å; R75-E81 IonicContact CZ-OE2 2.86Å; R75-E81 IonicContact NH1-OE2 2.8Å; R75-E81 PolarHBondContact NH1-OE2 3.28Å; R75-E81 IonicContact NH2-OE1 2.96Å; R75-E81 PolarHBondContact NH2-OE1 2.88Å; R75-E81 IonicContact NH2-OE2 3.84Å; R75-E81 PolarHBondContact NH2-OE2 3.46Å; R75-E81 VanDerWaalsContact NH2-OE2 3.11Å; A76-E81 HydrophobicContact CB-CG 4.22Å; T79-E81 PolarHBondContact O-N 3.37Å; T79-E81 WeakPolarHBondContact OG1-CB 3.31Å; T79-E81 VanDerWaalsContact OG1-CG 3.3Å; T79-E81 WeakPolarHBondContact OG1-CG 3.44Å; T79-E81 PolarHBondContact OG1-N 3.5Å; T79-E81 PolarHBondContact OG1-OE2 3.32Å; T79-E81 VanDerWaalsContact OG1-OE2 3.05Å; E81-G83 VanDerWaalsContact C-N 3.31Å; E81-G83 PolarHBondContact O-N 3.4Å
82	K	98.5	Very high	98.4	Very high	90 Å²	90	49.6 Å²	49.6	39%	0.391	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	4.4	-176.3	-53.8	-63.5	-175.2	-158.3	0	113.4	E72 A76 G80 L92 I124	E72-K82 IonicContact OE1-NZ 3.16Å; E72-K82 PolarHBondContact OE1-NZ 3.18Å; A76-K82 HydrophobicContact CB-CD 4.49Å; A76-K82 HydrophobicContact CB-CG 3.86Å; G80-K82 PolarHBondContact O-N 3.08Å; G80-K82 VanDerWaalsContact O-N 3.14Å; K82-L92 HydrophobicContact CB-CB 4.5Å; K82-L92 HydrophobicContact CB-CD1 3.75Å; K82-I124 HydrophobicContact CB-CG2 4.36Å; K82-I124 HydrophobicContact CG-CB 4.11Å; K82-I124 HydrophobicContact CG-CG2 3.91Å
83	G	98	Very high	98.4	Very high	36 Å²	36	49 Å²	49	37%	0.371	28%	0.275	S	S	.	.			trans	75.1	-133.8	171.8	0	0	0	0	0	113.5	G80 E81 P91 L92	G80-G83 PolarHBondContact O-N 3.24Å; E81-G83 VanDerWaalsContact C-N 3.31Å; E81-G83 PolarHBondContact O-N 3.4Å; G83-P91 WeakPolarHBondContact O-CA 3.44Å; G83-L92 PolarHBondContact O-N 2.91Å
84	I	98.6	Very high	98.4	Very high	107 Å²	107	49 Å²	49	55%	0.549	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-95.9	130.3	-174.7	-55.3	-57.7	0	0	0	110.2	P91	I84-P91 HydrophobicContact CD1-CB 4.27Å; I84-P91 HydrophobicContact CD1-CG 3.92Å
85	G	98.3	Very high	98.4	Very high	3 Å²	3	54 Å²	54	3%	0.031	30%	0.296	C	S	.	.			trans	-69.3	140	176.7	0	0	0	0	0	111.8	G89 K90 E122	G85-G89 WeakPolarHBondContact O-CA 3.47Å; G85-G89 PolarHBondContact O-N 3.34Å; G85-K90 PolarHBondContact N-O 3.2Å; G85-E122 WeakPolarHBondContact CA-OE1 3.43Å
86	K	96.9	Very high	98.4	Very high	206 Å²	206	54.7 Å²	54.7	90%	0.896	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-34.8	-170.1	-68.7	179.8	-178.8	174	0	112	E122	K86-E122 PolarHBondContact N-OE1 3.33Å; K86-E122 PolarHBondContact N-OE2 3.23Å
87	S	96.8	Very high	98.4	Very high	73 Å²	73	54.8 Å²	54.8	51%	0.51	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-36.5	-177.5	-63	0	0	0	0	112	E122	S87-E122 WeakPolarHBondContact CB-OE2 3.31Å; S87-E122 PolarHBondContact N-OE1 2.94Å; S87-E122 PolarHBondContact N-OE2 3.27Å
88	T	97.8	Very high	98.4	Very high	40 Å²	40	55.7 Å²	55.7	25%	0.245	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-24.6	-175.7	65.9	0	0	0	0	113.3	K90 F113 E122	T88-K90 PolarHBondContact O-N 3.43Å; T88-K90 PolarHBondContact OG1-N 3.42Å; T88-F113 HydrophobicContact CG2-CE2 4.36Å; T88-E122 VanDerWaalsContact CB-OE1 3.27Å; T88-E122 WeakPolarHBondContact CB-OE1 3.32Å; T88-E122 HydrophobicContact CG2-CB 4.21Å; T88-E122 HydrophobicContact CG2-CG 3.83Å; T88-E122 WeakPolarHBondContact CG2-OE1 3.42Å; T88-E122 PolarHBondContact N-OE1 2.96Å; T88-E122 PolarHBondContact OG1-OE1 3.1Å
89	G	98.1	Very high	98.4	Very high	53 Å²	53	55.9 Å²	55.9	55%	0.546	32%	0.319	S	S	.	.			trans	66.4	14.7	-171.6	0	0	0	0	0	113.7	G85	G85-G89 WeakPolarHBondContact O-CA 3.47Å; G85-G89 PolarHBondContact O-N 3.34Å
90	K	98.4	Very high	98.4	Very high	104 Å²	104	54.5 Å²	54.5	45%	0.452	31%	0.309	S	S	.	.	S	Bend	trans	-107.9	158.4	179.6	-58.7	-66.2	-175.5	165.9	0	110.5	G85 T88 L92 F113	G85-K90 PolarHBondContact N-O 3.2Å; T88-K90 PolarHBondContact O-N 3.43Å; T88-K90 PolarHBondContact OG1-N 3.42Å; K90-L92 PolarHBondContact O-N 3.18Å; K90-F113 HydrophobicContact CB-CD2 4.04Å; K90-F113 HydrophobicContact CB-CE2 4.05Å
91	P	98.8	Very high	98.4	Very high	73 Å²	73	57.9 Å²	57.9	47%	0.474	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-56.2	134.1	171.8	-23.6	34.4	0	0	0	111.7	G83 I84 H93 F113	G83-P91 WeakPolarHBondContact O-CA 3.44Å; I84-P91 HydrophobicContact CD1-CB 4.27Å; I84-P91 HydrophobicContact CD1-CG 3.92Å; P91-H93 HydrophobicContact CB-CB 4.19Å; P91-H93 PolarHBondContact O-N 3.4Å; P91-F113 WeakPolarHBondContact O-CD2 3.24Å; P91-F113 WeakPolarHBondContact O-CE2 3.44Å
92	L	98.8	Very high	98.4	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.052	29%	0.294	C	S	.	.	S	Bend	trans	-74.1	67.6	170.7	-70.9	171.1	0	0	0	109.4	L77 G80 K82 G83 K90 F113 E122	L77-L92 HydrophobicContact CD2-CB 3.89Å; L77-L92 HydrophobicContact CD2-CD2 4.15Å; G80-L92 WeakPolarHBondContact CA-O 3.5Å; K82-L92 HydrophobicContact CB-CB 4.5Å; K82-L92 HydrophobicContact CB-CD1 3.75Å; G83-L92 PolarHBondContact O-N 2.91Å; K90-L92 PolarHBondContact O-N 3.18Å; L92-F113 HydrophobicContact CD2-CE1 4.41Å; L92-F113 HydrophobicContact CD2-CZ 3.84Å; L92-E122 HydrophobicContact CD2-CG 3.75Å
93	H	98.9	Very high	98.4	Very high	47 Å²	47	50.6 Å²	50.6	22%	0.218	28%	0.284	C	S	.	.			trans	-150.3	135.3	-170	-163.6	-172.2	0	0	0	111.7	L77 C78 P91 C207	L77-H93 CarbonylContact O-C 3.56Å; L77-H93 VanDerWaalsContact O-CA 3.29Å; L77-H93 WeakPolarHBondContact O-CA 3.47Å; L77-H93 PolarHBondContact O-CD2 3.24Å; C78-H93 PolarHBondContact O-CD2 2.82Å; C78-H93 PolarHBondContact O-NE2 3.45Å; P91-H93 HydrophobicContact CB-CB 4.19Å; P91-H93 PolarHBondContact O-N 3.4Å; H93-C207 VanDerWaalsContact CD2-SG 3.58Å; H93-C207 PolarHBondContact NE2-SG 3.21Å; H93-C207 VanDerWaalsContact NE2-SG 3.41Å
94	F	98.9	Very high	98.3	Very high	1 Å²	1	55.8 Å²	55.8	0%	0.004	30%	0.296	C	S	.	.			trans	-79.5	-14.1	177.8	-68	-47	0	0	0	114.5	F46 F74 L77 G96 C97 S156 F158 V204	F46-F94 HydrophobicContact CE1-CB 4.15Å; F46-F94 AromaticContact CE1-CD2 3.9Å; F46-F94 HydrophobicContact CE1-CD2 3.9Å; F46-F94 HydrophobicContact CE1-CG 4.35Å; F46-F94 AromaticContact CZ-CD2 3.91Å; F46-F94 HydrophobicContact CZ-CD2 3.91Å; F46-F94 HydrophobicContact CZ-CE2 4.37Å; F46-F94 HydrophobicContact CZ-CG 4.43Å; F74-F94 HydrophobicContact CD1-CE2 4.42Å; F74-F94 AromaticContact CD2-CE2 3.69Å; F74-F94 HydrophobicContact CD2-CE2 3.69Å; F74-F94 AromaticContact CD2-CZ 3.93Å; F74-F94 HydrophobicContact CD2-CZ 3.93Å; F74-F94 HydrophobicContact CE1-CE2 4.35Å; F74-F94 AromaticContact CE2-CE2 3.61Å; F74-F94 HydrophobicContact CE2-CE2 3.61Å; F74-F94 AromaticContact CE2-CZ 3.88Å; F74-F94 HydrophobicContact CE2-CZ 3.88Å; F74-F94 HydrophobicContact CG-CE2 4.13Å; F74-F94 AromaticContact CZ-CE2 3.99Å; F74-F94 HydrophobicContact CZ-CE2 3.99Å; L77-F94 HydrophobicContact CB-CD2 3.72Å; L77-F94 HydrophobicContact CB-CE1 4.17Å; L77-F94 HydrophobicContact CB-CE2 3.33Å; L77-F94 HydrophobicContact CB-CG 4.3Å; L77-F94 HydrophobicContact CB-CZ 3.58Å; L77-F94 HydrophobicContact CD1-CE1 4.15Å; L77-F94 HydrophobicContact CD1-CE2 4.2Å; L77-F94 HydrophobicContact CD1-CZ 3.62Å; L77-F94 HydrophobicContact CG-CE2 4.39Å; L77-F94 HydrophobicContact CG-CZ 4.2Å; L77-F94 PolarHBondContact O-N 2.98Å; F94-G96 PolarHBondContact O-N 3.37Å; F94-C97 WeakPolarHBondContact O-CB 3.47Å; F94-C97 PolarHBondContact O-N 3.45Å; F94-S156 WeakPolarHBondContact CE1-O 3.35Å; F94-S156 WeakPolarHBondContact CZ-O 3.27Å; F94-F158 HydrophobicContact CE1-CD1 4.31Å; F94-F158 HydrophobicContact CE1-CE1 4.22Å; F94-F158 HydrophobicContact CZ-CD1 4.13Å; F94-F158 HydrophobicContact CZ-CE1 4.26Å; F94-V204 HydrophobicContact CB-CG1 4.45Å
95	K	98.8	Very high	98.2	Very high	104 Å²	104	58.3 Å²	58.3	45%	0.452	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	122.8	178.6	-175.6	170.7	-168.7	147.4	0	111.1	C97 A205 D206 C207	K95-C97 VanDerWaalsContact C-N 3.33Å; K95-A205 WeakPolarHBondContact CE-O 3.47Å; K95-D206 WeakPolarHBondContact CD-OD1 3.47Å; K95-D206 WeakPolarHBondContact CE-OD1 3.42Å; K95-D206 IonicContact NZ-OD1 3.25Å; K95-D206 PolarHBondContact NZ-OD1 2.85Å; K95-D206 IonicContact NZ-OD2 2.64Å; K95-D206 PolarHBondContact NZ-OD2 2.66Å; K95-C207 PolarHBondContact N-SG 3.42Å
96	G	98.4	Very high	98.2	Very high	40 Å²	40	60.2 Å²	60.2	41%	0.412	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-0.5	-174.8	0	0	0	0	0	114.8	F94 V204	F94-G96 PolarHBondContact O-N 3.37Å; G96-V204 WeakPolarHBondContact CA-O 3.48Å; G96-V204 PolarHBondContact N-O 3.49Å
97	C	98.6	Very high	98.3	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.014	27%	0.269	C	S	.	.			trans	-75	135.1	179.4	-174.2	0	0	0	0	111.1	F94 K95 G111 F113 V204	F94-C97 WeakPolarHBondContact O-CB 3.47Å; F94-C97 PolarHBondContact O-N 3.45Å; K95-C97 VanDerWaalsContact C-N 3.33Å; C97-G111 PolarHBondContact SG-N 3.13Å; C97-F113 HydrophobicContact CB-CB 4.41Å; C97-V204 PolarHBondContact O-N 3.45Å
98	P	98.6	Very high	98.4	Very high	19 Å²	19	47.1 Å²	47.1	12%	0.123	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-81.2	154.5	175.6	28.7	-29.6	0	0	0	113.4	H100 H116 C202 I203	P98-H100 PolarHBondContact O-N 3.47Å; P98-H116 VanDerWaalsContact CD-ND1 3.3Å; P98-H116 WeakPolarHBondContact CD-ND1 3.34Å; P98-H116 HydrophobicContact CG-CB 3.64Å; P98-C202 CarbonylContact C-O 3.5Å; P98-C202 VanDerWaalsContact CA-O 3.25Å; P98-C202 WeakPolarHBondContact CA-O 3.15Å; P98-I203 HydrophobicContact CB-CD1 3.7Å
99	F	98.8	Very high	98.5	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.018	24%	0.238	C	C	.	.			trans	-77.8	97.1	152.2	-62.7	-85.4	0	0	0	107.8	V48 I102 I108 Q109 F158 L188 P198 C202 V204	V48-F99 HydrophobicContact CG1-CE2 4.28Å; V48-F99 HydrophobicContact CG2-CE2 4.2Å; F99-I102 HydrophobicContact CB-CD1 4.18Å; F99-I102 HydrophobicContact CB-CG1 4.4Å; F99-I108 HydrophobicContact CD1-CB 4.49Å; F99-I108 HydrophobicContact CD1-CD1 4.37Å; F99-I108 HydrophobicContact CE1-CD1 4.11Å; F99-Q109 CarbonylContact C-O 3.31Å; F99-Q109 VanDerWaalsContact CA-O 3.26Å; F99-Q109 WeakPolarHBondContact CA-O 3.32Å; F99-F158 HydrophobicContact CE1-CE2 4.15Å; F99-F158 HydrophobicContact CE1-CZ 4.11Å; F99-L188 HydrophobicContact CD1-CD1 4.48Å; F99-L188 HydrophobicContact CD2-CD1 3.98Å; F99-L188 HydrophobicContact CD2-CD2 4.03Å; F99-L188 HydrophobicContact CE1-CD1 4.21Å; F99-L188 HydrophobicContact CE2-CD1 3.69Å; F99-L188 HydrophobicContact CE2-CD2 4.41Å; F99-L188 HydrophobicContact CG-CD1 4.37Å; F99-L188 HydrophobicContact CZ-CD1 3.81Å; F99-P198 WeakPolarHBondContact O-CG 3.34Å; F99-C202 HydrophobicContact CB-CB 4.12Å; F99-C202 HydrophobicContact CD2-CB 4.25Å; F99-C202 PolarHBondContact N-O 2.82Å; F99-V204 HydrophobicContact CE2-CG2 3.76Å; F99-V204 HydrophobicContact CZ-CG2 3.9Å
100	H	98.6	Very high	98.5	Very high	15 Å²	15	43.9 Å²	43.9	7%	0.069	21%	0.213	C	C	.	.			trans	-87.8	-12.3	-170.7	59.5	-91.4	0	0	0	113.3	P98 Q109 H116 G118 Q157 T197	P98-H100 PolarHBondContact O-N 3.47Å; H100-Q109 PolarHBondContact N-O 3.04Å; H100-Q109 VanDerWaalsContact N-O 3.13Å; H100-H116 WeakPolarHBondContact CB-O 3.36Å; H100-G118 PolarHBondContact CD2-N 2.99Å; H100-G118 VanDerWaalsContact NE2-CA 3.3Å; H100-G118 WeakPolarHBondContact NE2-CA 3.45Å; H100-Q157 PolarHBondContact NE2-OE1 3.35Å; H100-T197 PolarHBondContact O-OG1 2.97Å
101	R	98.7	Very high	98.5	Very high	91 Å²	91	39 Å²	39	34%	0.343	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	122.7	179.9	-172	-179.2	179.8	-132.3	5.1	111.1	I103 M107 Q109 D196	R101-I103 VanDerWaalsContact NH2-CD1 3.25Å; R101-M107 HydrophobicContact CG-CE 4.21Å; R101-Q109 HydrophobicContact CB-CB 4.22Å; R101-Q109 PolarHBondContact N-O 3.28Å; R101-Q109 WeakPolarHBondContact O-CA 3.43Å; R101-Q109 WeakPolarHBondContact O-CB 3.45Å; R101-Q109 PolarHBondContact O-N 3.1Å; R101-D196 CarbonylContact C-O 3.47Å; R101-D196 WeakPolarHBondContact CA-O 3.27Å; R101-D196 HydrophobicContact CG-CB 3.7Å; R101-D196 IonicContact CZ-OD2 2.79Å; R101-D196 IonicContact NE-OD2 3.8Å; R101-D196 PolarHBondContact NE-OD2 3.5Å; R101-D196 IonicContact NH2-OD2 2.64Å; R101-D196 PolarHBondContact NH2-OD2 3.01Å
102	I	98.8	Very high	98.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	124.5	-176.7	-66.1	-168.8	0	0	0	108	F99 I108 L188 V191 T193 D196 P198	F99-I102 HydrophobicContact CB-CD1 4.18Å; F99-I102 HydrophobicContact CB-CG1 4.4Å; I102-I108 HydrophobicContact CB-CG2 4.46Å; I102-I108 HydrophobicContact CD1-CG2 4.24Å; I102-I108 HydrophobicContact CG1-CB 4.28Å; I102-I108 HydrophobicContact CG1-CG2 4.07Å; I102-I108 HydrophobicContact CG2-CG2 4.01Å; I102-L188 HydrophobicContact CD1-CB 4.25Å; I102-L188 HydrophobicContact CD1-CD2 4.47Å; I102-L188 VanDerWaalsContact CD1-O 3.31Å; I102-L188 WeakPolarHBondContact CD1-O 3.49Å; I102-L188 WeakPolarHBondContact CG2-O 3.47Å; I102-V191 HydrophobicContact CD1-CG2 3.95Å; I102-V191 HydrophobicContact CG2-CG2 4.41Å; I102-T193 HydrophobicContact CB-CG2 4.04Å; I102-T193 HydrophobicContact CG2-CG2 4.2Å; I102-D196 PolarHBondContact N-O 2.63Å; I102-P198 HydrophobicContact CB-CG 4.12Å; I102-P198 HydrophobicContact CD1-CG 3.52Å; I102-P198 HydrophobicContact CG1-CG 3.67Å
103	I	98.3	Very high	98.5	Very high	34 Å²	34	35.7 Å²	35.7	17%	0.174	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	114.2	177.5	-58.2	177.6	0	0	0	108.6	R101 K105 F106 M107 D196	R101-I103 VanDerWaalsContact NH2-CD1 3.25Å; I103-K105 PolarHBondContact O-N 3.09Å; I103-F106 HydrophobicContact CB-CB 3.98Å; I103-F106 HydrophobicContact CB-CD1 3.93Å; I103-F106 HydrophobicContact CB-CG 4.47Å; I103-F106 HydrophobicContact CD1-CD1 3.83Å; I103-F106 HydrophobicContact CD1-CE1 4.28Å; I103-F106 HydrophobicContact CG1-CD1 4.43Å; I103-F106 HydrophobicContact CG2-CB 3.73Å; I103-F106 HydrophobicContact CG2-CD1 4.01Å; I103-F106 HydrophobicContact CG2-CG 4.37Å; I103-F106 PolarHBondContact O-N 3.35Å; I103-F106 VanDerWaalsContact O-N 3.1Å; I103-M107 HydrophobicContact CB-CE 4Å; I103-M107 HydrophobicContact CD1-CE 3.64Å; I103-M107 HydrophobicContact CG1-CE 3.66Å; I103-M107 PolarHBondContact N-O 3.02Å; I103-M107 PolarHBondContact O-N 3.39Å; I103-M107 VanDerWaalsContact O-N 3.14Å; I103-D196 HydrophobicContact CD1-CB 4.35Å; I103-D196 VanDerWaalsContact CD1-OD2 3.3Å; I103-D196 WeakPolarHBondContact CD1-OD2 3.34Å; I103-D196 HydrophobicContact CG1-CB 3.89Å
104	K	97.3	Very high	98.5	Very high	145 Å²	145	34.1 Å²	34.1	63%	0.63	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	135.7	178.5	-169.2	173.2	-173.4	171.1	0	110.8	F106 E189	K104-F106 VanDerWaalsContact C-N 3.26Å; K104-F106 PolarHBondContact O-N 3.13Å; K104-E189 HydrophobicContact CB-CG 4.45Å; K104-E189 HydrophobicContact CG-CG 4.24Å
105	K	96.8	Very high	98.4	Very high	160 Å²	160	38.2 Å²	38.2	70%	0.696	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	36.1	-173	-58.7	178.1	-179.9	-176.6	0	112.9	I103 V163 E189	I103-K105 PolarHBondContact O-N 3.09Å; K105-V163 HydrophobicContact CB-CG1 4.32Å; K105-V163 WeakPolarHBondContact O-CG2 3.42Å; K105-E189 VanDerWaalsContact CA-OE1 3.25Å; K105-E189 WeakPolarHBondContact CA-OE1 3.45Å; K105-E189 PolarHBondContact N-OE1 3.24Å
106	F	98.3	Very high	98.4	Very high	43 Å²	43	37.7 Å²	37.7	19%	0.189	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.8	-77	173.8	-177.7	-143.4	0	0	0	111.6	I103 K104 T162 T165 H167 L168	I103-F106 HydrophobicContact CB-CB 3.98Å; I103-F106 HydrophobicContact CB-CD1 3.93Å; I103-F106 HydrophobicContact CB-CG 4.47Å; I103-F106 HydrophobicContact CD1-CD1 3.83Å; I103-F106 HydrophobicContact CD1-CE1 4.28Å; I103-F106 HydrophobicContact CG1-CD1 4.43Å; I103-F106 HydrophobicContact CG2-CB 3.73Å; I103-F106 HydrophobicContact CG2-CD1 4.01Å; I103-F106 HydrophobicContact CG2-CG 4.37Å; I103-F106 PolarHBondContact O-N 3.35Å; I103-F106 VanDerWaalsContact O-N 3.1Å; K104-F106 VanDerWaalsContact C-N 3.26Å; K104-F106 PolarHBondContact O-N 3.13Å; F106-T162 VanDerWaalsContact C-OG1 3.26Å; F106-T162 PolarHBondContact N-OG1 2.93Å; F106-T162 VanDerWaalsContact N-OG1 3.11Å; F106-T162 PolarHBondContact O-N 2.98Å; F106-T162 PolarHBondContact O-OG1 3.25Å; F106-T165 HydrophobicContact CD2-CG2 3.42Å; F106-T165 VanDerWaalsContact CD2-CG2 3.42Å; F106-T165 HydrophobicContact CE2-CG2 3.55Å; F106-H167 AromaticContact CE2-CE1 3.52Å; F106-H167 AromaticContact CE2-NE2 3.27Å; F106-H167 VanDerWaalsContact CE2-NE2 3.27Å; F106-H167 WeakPolarHBondContact CE2-NE2 3.3Å; F106-H167 AromaticContact CZ-NE2 3.67Å; F106-L168 HydrophobicContact CE2-CD1 3.9Å; F106-L168 HydrophobicContact CE2-CG 4.43Å; F106-L168 HydrophobicContact CZ-CD1 4.07Å; F106-L168 HydrophobicContact CZ-CD2 4.33Å
107	M	98.5	Very high	98.4	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	164	-174.7	61.6	81.6	-135.9	0	0	113	R101 I103 Q109 F159 I160	R101-M107 HydrophobicContact CG-CE 4.21Å; I103-M107 HydrophobicContact CB-CE 4Å; I103-M107 HydrophobicContact CD1-CE 3.64Å; I103-M107 HydrophobicContact CG1-CE 3.66Å; I103-M107 PolarHBondContact N-O 3.02Å; I103-M107 PolarHBondContact O-N 3.39Å; I103-M107 VanDerWaalsContact O-N 3.14Å; M107-Q109 HydrophobicContact CE-CB 4.32Å; M107-Q109 HydrophobicContact SD-CB 3.64Å; M107-F159 HydrophobicContact CB-CB 4.21Å; M107-F159 HydrophobicContact CB-CD2 3.95Å; M107-F159 HydrophobicContact CB-CG 4.43Å; M107-F159 HydrophobicContact CG-CB 4.27Å; M107-F159 HydrophobicContact CG-CD2 4.28Å; M107-F159 HydrophobicContact CG-CG 4.45Å; M107-F159 HydrophobicContact SD-CB 3.81Å; M107-F159 HydrophobicContact SD-CG 4.47Å; M107-I160 CarbonylContact C-O 3.51Å; M107-I160 VanDerWaalsContact CA-O 3.26Å; M107-I160 WeakPolarHBondContact CA-O 3.24Å; M107-I160 WeakPolarHBondContact CB-O 3.38Å
108	I	98.8	Very high	98.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130	167.3	60.8	172	0	0	0	109.6	F99 I102 F159 I160 T162 V185 L188 E189	F99-I108 HydrophobicContact CD1-CB 4.49Å; F99-I108 HydrophobicContact CD1-CD1 4.37Å; F99-I108 HydrophobicContact CE1-CD1 4.11Å; I102-I108 HydrophobicContact CB-CG2 4.46Å; I102-I108 HydrophobicContact CD1-CG2 4.24Å; I102-I108 HydrophobicContact CG1-CB 4.28Å; I102-I108 HydrophobicContact CG1-CG2 4.07Å; I102-I108 HydrophobicContact CG2-CG2 4.01Å; I108-F159 CarbonylContact O-C 3.59Å; I108-F159 WeakPolarHBondContact O-CA 3.47Å; I108-F159 WeakPolarHBondContact O-CB 3.49Å; I108-I160 HydrophobicContact CD1-CB 4.28Å; I108-I160 HydrophobicContact CD1-CD1 4.4Å; I108-I160 HydrophobicContact CG1-CB 3.82Å; I108-I160 PolarHBondContact N-O 3.05Å; I108-I160 PolarHBondContact O-N 2.86Å; I108-T162 HydrophobicContact CG2-CG2 4.39Å; I108-V185 HydrophobicContact CD1-CB 4.27Å; I108-V185 HydrophobicContact CD1-CG1 3.78Å; I108-V185 HydrophobicContact CD1-CG2 4.29Å; I108-V185 HydrophobicContact CG1-CG1 4.3Å; I108-L188 HydrophobicContact CD1-CB 3.96Å; I108-L188 HydrophobicContact CD1-CD1 3.58Å; I108-L188 HydrophobicContact CD1-CG 4.44Å; I108-L188 HydrophobicContact CG2-CB 4.18Å; I108-E189 HydrophobicContact CG2-CB 4.38Å
109	Q	98.9	Very high	98.3	Very high	25 Å²	25	45.8 Å²	45.8	12%	0.117	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.3	-173.3	176	178.3	-12.2	0	0	111.7	F99 H100 R101 M107 Q157 F158 F159	F99-Q109 CarbonylContact C-O 3.31Å; F99-Q109 VanDerWaalsContact CA-O 3.26Å; F99-Q109 WeakPolarHBondContact CA-O 3.32Å; H100-Q109 PolarHBondContact N-O 3.04Å; H100-Q109 VanDerWaalsContact N-O 3.13Å; R101-Q109 HydrophobicContact CB-CB 4.22Å; R101-Q109 PolarHBondContact N-O 3.28Å; R101-Q109 WeakPolarHBondContact O-CA 3.43Å; R101-Q109 WeakPolarHBondContact O-CB 3.45Å; R101-Q109 PolarHBondContact O-N 3.1Å; M107-Q109 HydrophobicContact CE-CB 4.32Å; M107-Q109 HydrophobicContact SD-CB 3.64Å; Q109-Q157 VanDerWaalsContact NE2-OE1 3.07Å; Q109-F158 WeakPolarHBondContact CA-O 3.4Å; Q109-F158 WeakPolarHBondContact CG-O 3.31Å; Q109-F159 HydrophobicContact CB-CB 4.1Å
110	G	98.8	Very high	98.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	-163.3	-179.6	0	0	0	0	0	112.2	Q157 F158	G110-Q157 VanDerWaalsContact O-CA 3.28Å; G110-Q157 WeakPolarHBondContact O-CA 3.09Å; G110-F158 PolarHBondContact N-O 2.91Å; G110-F158 PolarHBondContact O-N 3.39Å; G110-F158 VanDerWaalsContact O-N 3.1Å
111	G	98.5	Very high	98.2	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	23%	0.233	C	C	.	.			trans	88.7	3.7	171.1	0	0	0	0	0	116.4	C97 F113 S156	C97-G111 PolarHBondContact SG-N 3.13Å; G111-F113 PolarHBondContact O-N 2.92Å; G111-S156 CarbonylContact O-C 3.59Å; G111-S156 VanDerWaalsContact O-CB 3.32Å; G111-S156 WeakPolarHBondContact O-CB 3.41Å; G111-S156 PolarHBondContact O-OG 3.21Å
112	D	98.7	Very high	98.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.			trans	-83.7	82.3	164.5	-177.7	2.2	0	0	0	109.6	S114 N115 H116 N117 G118 T119 G120 G121 Q157	D112-S114 PolarHBondContact O-N 2.64Å; D112-S114 PolarHBondContact OD1-N 3.38Å; D112-S114 VanDerWaalsContact OD1-N 3.14Å; D112-S114 PolarHBondContact OD1-OG 3.13Å; D112-N115 PolarHBondContact OD1-N 2.83Å; D112-H116 VanDerWaalsContact CG-N 3.26Å; D112-H116 VanDerWaalsContact O-CA 3.3Å; D112-H116 WeakPolarHBondContact O-CA 3.43Å; D112-H116 PolarHBondContact O-N 2.88Å; D112-H116 PolarHBondContact O-ND1 3.3Å; D112-H116 PolarHBondContact OD1-N 3.23Å; D112-H116 PolarHBondContact OD2-N 2.79Å; D112-H116 VanDerWaalsContact OD2-N 3.16Å; D112-N117 PolarHBondContact OD2-N 3.06Å; D112-N117 VanDerWaalsContact OD2-N 3.08Å; D112-G118 PolarHBondContact OD2-N 3.33Å; D112-T119 PolarHBondContact OD2-N 3.12Å; D112-G120 VanDerWaalsContact OD1-C 3.27Å; D112-G120 VanDerWaalsContact OD1-CA 3.3Å; D112-G120 WeakPolarHBondContact OD1-CA 3.16Å; D112-G120 PolarHBondContact OD2-N 3.4Å; D112-G121 PolarHBondContact OD1-N 3.43Å; D112-Q157 HydrophobicContact CB-CG 4.02Å
113	F	98.6	Very high	98.2	Very high	13 Å²	13	41.6 Å²	41.6	6%	0.057	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-3.7	179.8	62	-104.9	0	0	0	113.6	L77 T88 K90 P91 L92 C97 G111 H116 E122 S156	L77-F113 HydrophobicContact CD2-CE1 3.99Å; T88-F113 HydrophobicContact CG2-CE2 4.36Å; K90-F113 HydrophobicContact CB-CD2 4.04Å; K90-F113 HydrophobicContact CB-CE2 4.05Å; P91-F113 WeakPolarHBondContact O-CD2 3.24Å; P91-F113 WeakPolarHBondContact O-CE2 3.44Å; L92-F113 HydrophobicContact CD2-CE1 4.41Å; L92-F113 HydrophobicContact CD2-CZ 3.84Å; C97-F113 HydrophobicContact CB-CB 4.41Å; G111-F113 PolarHBondContact O-N 2.92Å; F113-H116 VanDerWaalsContact C-CE1 3.4Å; F113-H116 PolarHBondContact O-CE1 3.34Å; F113-E122 WeakPolarHBondContact CE1-O 3.43Å; F113-E122 HydrophobicContact CZ-CG 3.79Å; F113-S156 WeakPolarHBondContact CE1-OG 3.19Å
114	S	98.3	Very high	98.2	Very high	14 Å²	14	41.5 Å²	41.5	10%	0.098	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-50.7	-171.1	62.9	0	0	0	0	113.7	D112 G120 G121	D112-S114 PolarHBondContact O-N 2.64Å; D112-S114 PolarHBondContact OD1-N 3.38Å; D112-S114 VanDerWaalsContact OD1-N 3.14Å; D112-S114 PolarHBondContact OD1-OG 3.13Å; S114-G120 WeakPolarHBondContact OG-CA 3.46Å; S114-G121 PolarHBondContact OG-N 2.82Å
115	N	98.3	Very high	98.3	Very high	88 Å²	88	39.4 Å²	39.4	47%	0.471	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-13.4	-178.9	-67.1	-10.2	0	0	0	112.1	D112 N117 T119	D112-N115 PolarHBondContact OD1-N 2.83Å; N115-N117 WeakPolarHBondContact CB-OD1 3.5Å; N115-N117 PolarHBondContact O-N 3.06Å; N115-N117 VanDerWaalsContact O-N 3.15Å; N115-T119 PolarHBondContact ND2-OG1 3.12Å
116	H	98.2	Very high	98.2	Very high	93 Å²	93	33.1 Å²	33.1	43%	0.431	19%	0.186	S	C	.	.	S	Bend	trans	61.3	20.4	173.5	-57.5	-42	0	0	0	115.2	P98 H100 D112 F113	P98-H116 VanDerWaalsContact CD-ND1 3.3Å; P98-H116 WeakPolarHBondContact CD-ND1 3.34Å; P98-H116 HydrophobicContact CG-CB 3.64Å; H100-H116 WeakPolarHBondContact CB-O 3.36Å; D112-H116 VanDerWaalsContact CG-N 3.26Å; D112-H116 VanDerWaalsContact O-CA 3.3Å; D112-H116 WeakPolarHBondContact O-CA 3.43Å; D112-H116 PolarHBondContact O-N 2.88Å; D112-H116 PolarHBondContact O-ND1 3.3Å; D112-H116 PolarHBondContact OD1-N 3.23Å; D112-H116 PolarHBondContact OD2-N 2.79Å; D112-H116 VanDerWaalsContact OD2-N 3.16Å; F113-H116 VanDerWaalsContact C-CE1 3.4Å; F113-H116 PolarHBondContact O-CE1 3.34Å
117	N	97.8	Very high	98.1	Very high	99 Å²	99	36.8 Å²	36.8	53%	0.529	20%	0.204	S	C	.	.	S	Bend	trans	-141.6	7.9	-172.5	65.7	11.6	0	0	0	113.8	D112 N115 T119	D112-N117 PolarHBondContact OD2-N 3.06Å; D112-N117 VanDerWaalsContact OD2-N 3.08Å; N115-N117 WeakPolarHBondContact CB-OD1 3.5Å; N115-N117 PolarHBondContact O-N 3.06Å; N115-N117 VanDerWaalsContact O-N 3.15Å; N117-T119 WeakPolarHBondContact OD1-CB 3Å; N117-T119 WeakPolarHBondContact OD1-CG2 3.23Å; N117-T119 PolarHBondContact OD1-N 3.02Å; N117-T119 VanDerWaalsContact OD1-N 3.09Å; N117-T119 PolarHBondContact OD1-OG1 3.13Å
118	G	97.4	Very high	98.1	Very high	27 Å²	27	40.9 Å²	40.9	28%	0.278	22%	0.221	S	C	.	.	S	Bend	trans	92.4	-2.1	177.7	0	0	0	0	0	114.3	H100 D112 Q157	H100-G118 PolarHBondContact CD2-N 2.99Å; H100-G118 VanDerWaalsContact NE2-CA 3.3Å; H100-G118 WeakPolarHBondContact NE2-CA 3.45Å; D112-G118 PolarHBondContact OD2-N 3.33Å; G118-Q157 PolarHBondContact O-NE2 2.92Å
119	T	97.7	Very high	98.1	Very high	105 Å²	105	41.9 Å²	41.9	64%	0.644	23%	0.226	S	C	*	.	S	Bend	trans	-93.5	-9.7	179.2	65.8	0	0	0	0	113.9	D112 N115 N117	D112-T119 PolarHBondContact OD2-N 3.12Å; N115-T119 PolarHBondContact ND2-OG1 3.12Å; N117-T119 WeakPolarHBondContact OD1-CB 3Å; N117-T119 WeakPolarHBondContact OD1-CG2 3.23Å; N117-T119 PolarHBondContact OD1-N 3.02Å; N117-T119 VanDerWaalsContact OD1-N 3.09Å; N117-T119 PolarHBondContact OD1-OG1 3.13Å
120	G	97.6	Very high	98	Very high	12 Å²	12	47.2 Å²	47.2	12%	0.124	25%	0.251	C	S	.	.			trans	-119.4	-155.5	-175	0	0	0	0	0	114.8	D112 S114 Q157	D112-G120 VanDerWaalsContact OD1-C 3.27Å; D112-G120 VanDerWaalsContact OD1-CA 3.3Å; D112-G120 WeakPolarHBondContact OD1-CA 3.16Å; D112-G120 PolarHBondContact OD2-N 3.4Å; S114-G120 WeakPolarHBondContact OG-CA 3.46Å; G120-Q157 PolarHBondContact O-NE2 3.44Å
121	G	98.1	Very high	98	Very high	7 Å²	7	48.3 Å²	48.3	7%	0.072	26%	0.256	C	S	.	.			trans	90.5	153.5	-176.3	0	0	0	0	0	112.5	D112 S114 S156	D112-G121 PolarHBondContact OD1-N 3.43Å; S114-G121 PolarHBondContact OG-N 2.82Å; G121-S156 WeakPolarHBondContact CA-OG 3.25Å
122	E	98.6	Very high	97.9	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.014	27%	0.267	C	S	.	.			trans	-145.4	157	171.7	62.4	179.9	133.2	0	0	109.9	G85 K86 S87 T88 L92 F113 S156	G85-E122 WeakPolarHBondContact CA-OE1 3.43Å; K86-E122 PolarHBondContact N-OE1 3.33Å; K86-E122 PolarHBondContact N-OE2 3.23Å; S87-E122 WeakPolarHBondContact CB-OE2 3.31Å; S87-E122 PolarHBondContact N-OE1 2.94Å; S87-E122 PolarHBondContact N-OE2 3.27Å; T88-E122 VanDerWaalsContact CB-OE1 3.27Å; T88-E122 WeakPolarHBondContact CB-OE1 3.32Å; T88-E122 HydrophobicContact CG2-CB 4.21Å; T88-E122 HydrophobicContact CG2-CG 3.83Å; T88-E122 WeakPolarHBondContact CG2-OE1 3.42Å; T88-E122 PolarHBondContact N-OE1 2.96Å; T88-E122 PolarHBondContact OG1-OE1 3.1Å; L92-E122 HydrophobicContact CD2-CG 3.75Å; F113-E122 WeakPolarHBondContact CE1-O 3.43Å; F113-E122 HydrophobicContact CZ-CG 3.79Å; E122-S156 PolarHBondContact N-OG 3.3Å; E122-S156 WeakPolarHBondContact O-CB 3.39Å
123	S	98.8	Very high	97.8	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.007	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-83.4	167.8	176.8	78.1	0	0	0	0	111.6	N73 Y125 G126	N73-S123 WeakPolarHBondContact OD1-CA 3.49Å; N73-S123 VanDerWaalsContact OD1-CB 3.32Å; N73-S123 WeakPolarHBondContact OD1-CB 3.22Å; S123-Y125 PolarHBondContact O-N 2.81Å; S123-Y125 VanDerWaalsContact O-N 3.16Å; S123-Y125 PolarHBondContact OG-N 3.21Å; S123-Y125 VanDerWaalsContact OG-N 3.1Å; S123-G126 CarbonylContact C-O 3.55Å; S123-G126 WeakPolarHBondContact CA-O 3.42Å; S123-G126 WeakPolarHBondContact CB-O 3.34Å; S123-G126 PolarHBondContact N-O 3.18Å; S123-G126 PolarHBondContact O-N 2.99Å; S123-G126 VanDerWaalsContact O-O 3.08Å; S123-G126 PolarHBondContact OG-N 2.93Å; S123-G126 PolarHBondContact OG-O 2.99Å
124	I	98.7	Very high	97.8	Very high	32 Å²	32	55.4 Å²	55.4	16%	0.164	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-11.7	171.1	70.1	168.6	0	0	0	113.4	E72 N73 A76 L77 K82	E72-I124 HydrophobicContact CG-CD1 4.02Å; N73-I124 HydrophobicContact CB-CD1 4.5Å; N73-I124 HydrophobicContact CB-CG1 4.22Å; N73-I124 PolarHBondContact OD1-N 3.01Å; A76-I124 HydrophobicContact CB-CD1 3.98Å; A76-I124 HydrophobicContact CB-CG2 3.92Å; L77-I124 HydrophobicContact CD2-CG2 4.31Å; L77-I124 HydrophobicContact CG-CG2 4.1Å; K82-I124 HydrophobicContact CB-CG2 4.36Å; K82-I124 HydrophobicContact CG-CB 4.11Å; K82-I124 HydrophobicContact CG-CG2 3.91Å
125	Y	98.4	Very high	97.7	Very high	101 Å²	101	57.6 Å²	57.6	40%	0.396	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-3.2	-178.9	-50.4	-56.7	0	0	0	113	K69 N73 S123 F129	K69-Y125 HydrophobicContact CB-CE2 4.26Å; K69-Y125 WeakPolarHBondContact O-CE2 3.44Å; K69-Y125 PolarHBondContact O-OH 3.39Å; N73-Y125 HydrophobicContact CB-CE2 3.91Å; S123-Y125 PolarHBondContact O-N 2.81Å; S123-Y125 VanDerWaalsContact O-N 3.16Å; S123-Y125 PolarHBondContact OG-N 3.21Å; S123-Y125 VanDerWaalsContact OG-N 3.1Å; Y125-F129 HydrophobicContact CD2-CB 4.24Å; Y125-F129 HydrophobicContact CD2-CD1 4.37Å; Y125-F129 HydrophobicContact CD2-CD2 4.49Å; Y125-F129 HydrophobicContact CD2-CG 4.13Å
126	G	96.1	Very high	97.6	Very high	27 Å²	27	54.5 Å²	54.5	28%	0.278	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	129.1	-170.6	-171.7	0	0	0	0	0	111.6	S123 K128	S123-G126 CarbonylContact C-O 3.55Å; S123-G126 WeakPolarHBondContact CA-O 3.42Å; S123-G126 WeakPolarHBondContact CB-O 3.34Å; S123-G126 PolarHBondContact N-O 3.18Å; S123-G126 PolarHBondContact O-N 2.99Å; S123-G126 VanDerWaalsContact O-O 3.08Å; S123-G126 PolarHBondContact OG-N 2.93Å; S123-G126 PolarHBondContact OG-O 2.99Å; G126-K128 VanDerWaalsContact C-N 3.3Å; G126-K128 PolarHBondContact O-N 3.04Å
127	E	95.8	Very high	97.6	Very high	120 Å²	120	53.8 Å²	53.8	56%	0.561	28%	0.276	S	S	*	.	S	Bend	trans	-55	-45.2	-175.6	-166.9	-176.7	161.4	0	0	112.7
128	K	97.8	Very high	97.6	Very high	89 Å²	89	49.1 Å²	49.1	39%	0.387	25%	0.251	S	S	.	.			trans	-139	156.1	-179.1	-57	-65.4	173.6	-174.3	0	112	G126 T153 N154	G126-K128 VanDerWaalsContact C-N 3.3Å; G126-K128 PolarHBondContact O-N 3.04Å; K128-T153 WeakPolarHBondContact CD-O 3.44Å; K128-N154 CarbonylContact C-O 3.44Å; K128-N154 WeakPolarHBondContact CA-O 3.41Å
129	F	98.4	Very high	97.5	Very high	22 Å²	22	50.5 Å²	50.5	10%	0.096	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-137.9	164	169	73.1	-78.4	0	0	0	112.3	T70 N73 Y125 M146 N152 N154 G155	T70-F129 HydrophobicContact CG2-CZ 4.27Å; N73-F129 HydrophobicContact CB-CZ 4.43Å; Y125-F129 HydrophobicContact CD2-CB 4.24Å; Y125-F129 HydrophobicContact CD2-CD1 4.37Å; Y125-F129 HydrophobicContact CD2-CD2 4.49Å; Y125-F129 HydrophobicContact CD2-CG 4.13Å; F129-M146 HydrophobicContact CE1-CE 4.12Å; F129-M146 HydrophobicContact CZ-CE 4.15Å; F129-N152 CarbonylContact O-C 3.56Å; F129-N154 HydrophobicContact CD1-CB 3.7Å; F129-N154 WeakPolarHBondContact CD1-O 3.3Å; F129-N154 HydrophobicContact CD2-CB 4.2Å; F129-N154 HydrophobicContact CE1-CB 3.38Å; F129-N154 HydrophobicContact CE2-CB 3.92Å; F129-N154 HydrophobicContact CG-CB 4.11Å; F129-N154 HydrophobicContact CZ-CB 3.5Å; F129-N154 PolarHBondContact N-O 3.13Å; F129-N154 WeakPolarHBondContact O-CB 3.47Å; F129-N154 PolarHBondContact O-N 2.81Å; F129-N154 VanDerWaalsContact O-N 3.12Å; F129-G155 WeakPolarHBondContact CE1-O 3.47Å
130	E	98.2	Very high	97.4	Very high	137 Å²	137	47.5 Å²	47.5	64%	0.64	23%	0.23	S	C	*	.			trans	-67.8	158.8	-174.1	-64.3	176.9	167.8	0	0	113.5	E132 N152 N154	E130-E132 PolarHBondContact O-N 2.92Å; E130-N152 WeakPolarHBondContact CA-OD1 3.22Å; E130-N152 HydrophobicContact CB-CB 4.41Å; E130-N152 HydrophobicContact CG-CB 4.31Å; E130-N154 PolarHBondContact O-ND2 3.25Å
131	D	98.2	Very high	97.4	Very high	24 Å²	24	49.9 Å²	49.9	13%	0.128	24%	0.242	C	C	.	.			trans	-70.3	110.6	166.8	-62.1	-46.7	0	0	0	108.7	F134 A151 N152 N154 V173	D131-F134 HydrophobicContact CB-CE1 4.2Å; D131-F134 HydrophobicContact CB-CE2 4.27Å; D131-F134 HydrophobicContact CB-CZ 3.65Å; D131-A151 WeakPolarHBondContact OD2-CA 3.4Å; D131-N152 PolarHBondContact N-OD1 3.43Å; D131-N152 PolarHBondContact OD2-N 2.76Å; D131-N154 WeakPolarHBondContact CA-ND2 3.48Å; D131-N154 PolarHBondContact N-ND2 2.99Å; D131-N154 PolarHBondContact OD1-ND2 2.79Å; D131-V173 HydrophobicContact CB-CG2 3.92Å
132	E	97.5	Very high	97.4	Very high	51 Å²	51	49.7 Å²	49.7	24%	0.238	24%	0.239	C	C	.	.			trans	-66.6	-47.4	-172.2	-174.2	166.5	-158.1	0	0	112.5	T67 P68 K69 T70 E130	T67-E132 VanDerWaalsContact CA-OE2 3.27Å; T67-E132 WeakPolarHBondContact CA-OE2 3.25Å; T67-E132 WeakPolarHBondContact CB-OE2 3.47Å; P68-E132 WeakPolarHBondContact CD-OE1 3.39Å; P68-E132 WeakPolarHBondContact CG-OE1 3.38Å; K69-E132 WeakPolarHBondContact CB-OE1 3.29Å; K69-E132 WeakPolarHBondContact CG-OE1 3.37Å; K69-E132 PolarHBondContact N-OE1 3.31Å; K69-E132 PolarHBondContact N-OE2 3.39Å; K69-E132 VanDerWaalsContact N-OE2 3.16Å; T70-E132 WeakPolarHBondContact CB-OE2 3.18Å; T70-E132 PolarHBondContact N-OE2 2.93Å; T70-E132 PolarHBondContact OG1-OE2 3.43Å; E130-E132 PolarHBondContact O-N 2.92Å
133	N	96.3	Very high	97.4	Very high	37 Å²	37	49.5 Å²	49.5	20%	0.198	24%	0.239	C	C	.	.			trans	-167.8	171.3	166.5	60.3	73.7	0	0	0	110.5	V66 H135	V66-N133 PolarHBondContact O-ND2 2.95Å; N133-H135 WeakPolarHBondContact OD1-CB 3.23Å; N133-H135 PolarHBondContact OD1-N 3.37Å
134	F	97.1	Very high	97.4	Very high	74 Å²	74	49.5 Å²	49.5	33%	0.325	24%	0.238	S	C	.	.			trans	-115.7	43.7	171.9	-55.4	-69.1	0	0	0	110.7	D131 Y136 G170 V173	D131-F134 HydrophobicContact CB-CE1 4.2Å; D131-F134 HydrophobicContact CB-CE2 4.27Å; D131-F134 HydrophobicContact CB-CZ 3.65Å; F134-Y136 VanDerWaalsContact C-N 3.34Å; F134-Y136 PolarHBondContact O-N 3.27Å; F134-G170 WeakPolarHBondContact CZ-O 3.41Å; F134-V173 HydrophobicContact CE1-CG2 4.22Å
135	H	96.3	Very high	97.4	Very high	60 Å²	60	48 Å²	48	28%	0.278	23%	0.231	S	C	.	.			trans	-61.5	-41.7	-174	-177.3	86.8	0	0	0	112	S28 H29 V66 N133	S28-H135 CarbonylContact C-O 3.32Å; S28-H135 WeakPolarHBondContact CA-O 3.32Å; H29-H135 AromaticContact CE1-CE1 3.58Å; H29-H135 AromaticContact CG-CE1 3.72Å; H29-H135 AromaticContact CG-NE2 3.67Å; H29-H135 PolarHBondContact N-O 3.2Å; H29-H135 AromaticContact ND1-CE1 3.18Å; H29-H135 PolarHBondContact ND1-CE1 3.36Å; H29-H135 AromaticContact ND1-ND1 3.54Å; H29-H135 AromaticContact ND1-NE2 3.56Å; V66-H135 HydrophobicContact CG1-CB 3.64Å; N133-H135 WeakPolarHBondContact OD1-CB 3.23Å; N133-H135 PolarHBondContact OD1-N 3.37Å
136	Y	97.8	Very high	97.4	Very high	23 Å²	23	43.1 Å²	43.1	9%	0.09	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-101.4	146.4	-178	-73.4	-50.1	0	0	0	113.4	H29 V31 P32 F63 V66 F134	H29-Y136 HydrophobicContact CB-CD1 4.37Å; H29-Y136 WeakPolarHBondContact O-CA 3.29Å; V31-Y136 HydrophobicContact CB-CD1 4.43Å; V31-Y136 HydrophobicContact CG2-CD1 3.97Å; V31-Y136 HydrophobicContact CG2-CG 3.88Å; P32-Y136 HydrophobicContact CG-CE1 4.34Å; F63-Y136 HydrophobicContact CB-CE2 4.43Å; F63-Y136 AromaticContact CD2-CD2 3.67Å; F63-Y136 HydrophobicContact CD2-CD2 3.67Å; F63-Y136 AromaticContact CD2-CE2 3.7Å; F63-Y136 HydrophobicContact CD2-CE2 3.7Å; F63-Y136 AromaticContact CE2-CD2 3.93Å; F63-Y136 HydrophobicContact CE2-CD2 3.93Å; F63-Y136 HydrophobicContact CE2-CE2 4.09Å; F63-Y136 HydrophobicContact CG-CD2 4.46Å; F63-Y136 HydrophobicContact CG-CE2 4.06Å; V66-Y136 HydrophobicContact CB-CE2 4.12Å; V66-Y136 HydrophobicContact CG1-CD2 4.38Å; V66-Y136 HydrophobicContact CG1-CE2 4.06Å; V66-Y136 HydrophobicContact CG2-CE2 3.8Å; F134-Y136 VanDerWaalsContact C-N 3.34Å; F134-Y136 PolarHBondContact O-N 3.27Å
137	K	97.3	Very high	97.5	Very high	79 Å²	79	42.4 Å²	42.4	34%	0.343	20%	0.203	S	C	.	.			trans	-85.6	158.3	172.4	-65.2	-176.3	-179.3	179.6	0	112.2	S28 H29 V31 D139 L143 D169	S28-K137 WeakPolarHBondContact O-CE 3.3Å; S28-K137 WeakPolarHBondContact OG-CE 3.43Å; H29-K137 PolarHBondContact O-N 3.37Å; V31-K137 WeakPolarHBondContact CG2-O 3.3Å; K137-D139 HydrophobicContact CB-CB 4.12Å; K137-D139 PolarHBondContact O-N 3Å; K137-D139 VanDerWaalsContact O-N 3.12Å; K137-L143 VanDerWaalsContact O-CD1 3.31Å; K137-L143 WeakPolarHBondContact O-CD1 3.44Å; K137-D169 WeakPolarHBondContact CA-OD1 3.33Å
138	H	98.1	Very high	97.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.			trans	-85.8	60.7	169.2	-56.1	78.7	0	0	0	110.8	S145 F159 P164 T165 L168 D169 H172 V174	H138-S145 PolarHBondContact NE2-OG 3.08Å; H138-F159 AromaticContact NE2-CZ 3.82Å; H138-P164 CarbonylContact O-C 3.5Å; H138-P164 WeakPolarHBondContact O-CA 3.37Å; H138-T165 WeakPolarHBondContact CB-O 3.19Å; H138-T165 VanDerWaalsContact CB-OG1 3.26Å; H138-T165 WeakPolarHBondContact CB-OG1 3.26Å; H138-T165 PolarHBondContact O-N 2.84Å; H138-L168 PolarHBondContact CE1-O 3.26Å; H138-D169 IonicContact CG-OD1 2.79Å; H138-D169 PolarHBondContact N-OD1 2.95Å; H138-D169 IonicContact ND1-OD1 3.05Å; H138-D169 PolarHBondContact ND1-OD1 3.24Å; H138-H172 PolarHBondContact CE1-O 2.6Å; H138-V174 VanDerWaalsContact CE1-CG2 3.41Å; H138-V174 WeakPolarHBondContact CE1-CG2 3.38Å; H138-V174 VanDerWaalsContact NE2-CG2 3.32Å; H138-V174 WeakPolarHBondContact NE2-CG2 3.38Å
139	D	95.9	Very high	97.3	Very high	56 Å²	56	38.7 Å²	38.7	30%	0.299	20%	0.204	S	C	.	.			trans	-95.2	-7.7	-166.7	62.2	1.3	0	0	0	115.1	A30 V31 K137 P164	A30-D139 WeakPolarHBondContact CA-OD2 3.27Å; A30-D139 VanDerWaalsContact CB-OD2 3.28Å; A30-D139 WeakPolarHBondContact CB-OD2 3.35Å; V31-D139 PolarHBondContact N-OD2 3.36Å; V31-D139 VanDerWaalsContact N-OD2 3.12Å; K137-D139 HydrophobicContact CB-CB 4.12Å; K137-D139 PolarHBondContact O-N 3Å; K137-D139 VanDerWaalsContact O-N 3.12Å; D139-P164 WeakPolarHBondContact O-CG 3.47Å
140	K	95.3	Very high	97	Very high	43 Å²	43	39.4 Å²	39.4	19%	0.187	22%	0.217	C	C	.	.	S	Bend	trans	-145.9	166.6	-177.9	67.9	-174.5	-174.2	175.2	0	113	V31 P32 L143 T161	V31-K140 HydrophobicContact CB-CD 4.43Å; V31-K140 VanDerWaalsContact CG1-CE 3.49Å; P32-K140 PolarHBondContact O-NZ 3.01Å; K140-L143 HydrophobicContact CD-CD2 4.34Å; K140-L143 HydrophobicContact CG-CD1 4Å; K140-L143 HydrophobicContact CG-CD2 3.86Å; K140-L143 HydrophobicContact CG-CG 3.8Å; K140-T161 PolarHBondContact O-OG1 3.49Å
141	V	96.5	Very high	96.9	Very high	62 Å²	62	36.6 Å²	36.6	38%	0.376	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	146.1	172.4	61.7	0	0	0	0	111.4	T162 I182	V141-T162 VanDerWaalsContact CG2-O 3.27Å; V141-T162 WeakPolarHBondContact CG2-O 3.31Å; V141-I182 HydrophobicContact CG2-CD1 4.19Å
142	G	97.8	Very high	96.8	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.021	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	18.4	174.3	0	0	0	0	0	114.3	T161 Q177 V178	G142-T161 PolarHBondContact N-O 3Å; G142-T161 PolarHBondContact N-OG1 3.29Å; G142-Q177 CarbonylContact O-C 3.51Å; G142-Q177 VanDerWaalsContact O-CA 3.29Å; G142-Q177 WeakPolarHBondContact O-CA 3.25Å; G142-V178 WeakPolarHBondContact O-CG2 3.44Å; G142-V178 PolarHBondContact O-N 3Å
143	L	98.6	Very high	96.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	135.6	169.8	-62.1	178.3	0	0	0	111.1	V31 K137 K140 I160 T161 V174 Q177	V31-L143 HydrophobicContact CB-CD2 4.04Å; V31-L143 HydrophobicContact CG1-CD2 3.76Å; V31-L143 HydrophobicContact CG2-CD1 3.91Å; V31-L143 HydrophobicContact CG2-CD2 3.74Å; V31-L143 HydrophobicContact CG2-CG 4.49Å; K137-L143 VanDerWaalsContact O-CD1 3.31Å; K137-L143 WeakPolarHBondContact O-CD1 3.44Å; K140-L143 HydrophobicContact CD-CD2 4.34Å; K140-L143 HydrophobicContact CG-CD1 4Å; K140-L143 HydrophobicContact CG-CD2 3.86Å; K140-L143 HydrophobicContact CG-CG 3.8Å; L143-I160 WeakPolarHBondContact O-CA 3.44Å; L143-T161 HydrophobicContact CB-CG2 4.41Å; L143-T161 WeakPolarHBondContact CB-OG1 3.43Å; L143-T161 PolarHBondContact N-OG1 3.45Å; L143-T161 PolarHBondContact O-N 3.26Å; L143-T161 PolarHBondContact O-OG1 3.33Å; L143-V174 HydrophobicContact CB-CG1 4.47Å; L143-Q177 HydrophobicContact CD2-CB 4.15Å
144	L	98.8	Very high	96.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.1	175.1	-178.6	68.4	0	0	0	109.4	L60 L62 F74 F158 I160 F175 G176	L60-L144 HydrophobicContact CD1-CD2 4.24Å; L60-L144 HydrophobicContact CD2-CB 4.45Å; L60-L144 HydrophobicContact CD2-CD2 4.34Å; L62-L144 HydrophobicContact CD2-CD2 3.75Å; F74-L144 HydrophobicContact CD1-CD2 4.2Å; F74-L144 HydrophobicContact CE1-CD2 3.85Å; F74-L144 HydrophobicContact CE2-CD1 4.2Å; F74-L144 HydrophobicContact CE2-CD2 4.21Å; F74-L144 HydrophobicContact CZ-CD1 4.03Å; F74-L144 HydrophobicContact CZ-CD2 3.83Å; L144-F158 HydrophobicContact CD1-CB 4.15Å; L144-F158 HydrophobicContact CD1-CD2 3.46Å; L144-F158 VanDerWaalsContact CD1-CD2 3.46Å; L144-F158 HydrophobicContact CD1-CE2 4.18Å; L144-F158 HydrophobicContact CD1-CG 4.07Å; L144-I160 HydrophobicContact CD1-CG1 3.8Å; L144-F175 HydrophobicContact CD1-CZ 4.07Å; L144-F175 HydrophobicContact CD2-CD2 4.03Å; L144-F175 HydrophobicContact CD2-CE1 4.37Å; L144-F175 HydrophobicContact CD2-CE2 3.28Å; L144-F175 HydrophobicContact CD2-CZ 3.51Å; L144-F175 HydrophobicContact CG-CD2 4.4Å; L144-F175 HydrophobicContact CG-CE1 3.87Å; L144-F175 HydrophobicContact CG-CE2 3.71Å; L144-F175 HydrophobicContact CG-CZ 3.42Å; L144-F175 VanDerWaalsContact CG-CZ 3.42Å; L144-F175 PolarHBondContact O-N 3.19Å; L144-G176 PolarHBondContact N-O 2.92Å; L144-G176 PolarHBondContact O-N 3.45Å
145	S	98.8	Very high	97	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	151.2	-172.6	-173.3	0	0	0	0	112.2	H138 F158 F159 H172 V173 F175	H138-S145 PolarHBondContact NE2-OG 3.08Å; S145-F158 CarbonylContact O-C 3.48Å; S145-F158 WeakPolarHBondContact O-CA 3.3Å; S145-F159 PolarHBondContact N-O 3.04Å; S145-F159 PolarHBondContact O-N 3.49Å; S145-F159 WeakPolarHBondContact OG-CZ 3.49Å; S145-H172 WeakPolarHBondContact OG-CB 3.39Å; S145-V173 VanDerWaalsContact CA-O 3.29Å; S145-V173 WeakPolarHBondContact CA-O 3.2Å; S145-V173 PolarHBondContact OG-O 3.31Å; S145-V173 VanDerWaalsContact OG-O 3.08Å; S145-F175 VanDerWaalsContact C-CE1 3.47Å
146	M	98.8	Very high	97.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	130.2	-176.1	-71.7	-56.3	-63.4	0	0	111.5	T70 F129 N154 G155 Q157 F159 H172 V173 F175	T70-M146 HydrophobicContact CG2-CG 3.54Å; T70-M146 HydrophobicContact CG2-SD 3.88Å; F129-M146 HydrophobicContact CE1-CE 4.12Å; F129-M146 HydrophobicContact CZ-CE 4.15Å; M146-N154 VanDerWaalsContact CB-OD1 3.3Å; M146-N154 WeakPolarHBondContact CB-OD1 3.31Å; M146-N154 HydrophobicContact CE-CB 3.95Å; M146-G155 WeakPolarHBondContact CE-O 3.48Å; M146-Q157 WeakPolarHBondContact CE-O 3.32Å; M146-F159 WeakPolarHBondContact O-CE1 3.4Å; M146-H172 WeakPolarHBondContact O-CB 3.03Å; M146-H172 PolarHBondContact O-ND1 2.95Å; M146-V173 HydrophobicContact CB-CB 4.41Å; M146-V173 HydrophobicContact CG-CB 4.29Å; M146-V173 PolarHBondContact N-O 3.41Å; M146-F175 HydrophobicContact CB-CE1 4.5Å; M146-F175 HydrophobicContact CG-CD1 3.79Å; M146-F175 HydrophobicContact CG-CE1 3.71Å; M146-F175 HydrophobicContact SD-CD1 4.03Å; M146-F175 HydrophobicContact SD-CE1 3.42Å; M146-F175 WeakPolarHBondContact SD-CE1 3.43Å; M146-F175 HydrophobicContact SD-CZ 3.87Å
147	A	98.3	Very high	97.2	Very high	12 Å²	12	30.5 Å²	30.5	10%	0.099	20%	0.195	C	C	.	.			trans	-80	140.8	164	0	0	0	0	0	109.5	Q157 F159	A147-Q157 HydrophobicContact CB-CB 3.81Å; A147-Q157 PolarHBondContact N-O 3.38Å; A147-F159 HydrophobicContact CB-CD1 4.33Å
148	N	95.9	Very high	97.2	Very high	38 Å²	38	26.8 Å²	26.8	20%	0.203	18%	0.179	C	C	.	.			trans	-146.9	167.6	179.6	68.2	37.5	0	0	0	111.3	G150 K171 H172	N148-G150 PolarHBondContact OD1-N 3.32Å; N148-K171 PolarHBondContact ND2-O 3.11Å; N148-H172 PolarHBondContact OD1-CE1 3.3Å
149	A	93.9	Very high	97.3	Very high	93 Å²	93	27.1 Å²	27.1	77%	0.769	18%	0.181	S	C	*	.	S	Bend	trans	-109.3	37.9	175.9	0	0	0	0	0	110.9	T153	A149-T153 WeakPolarHBondContact CA-OG1 3.48Å; A149-T153 PolarHBondContact N-OG1 3.44Å
150	G	92.3	Very high	97.4	Very high	36 Å²	36	24.5 Å²	24.5	37%	0.371	17%	0.166	S	C	.	.	S	Bend	trans	112.8	175.8	-171.4	0	0	0	0	0	112.8	N148 N152 T153	N148-G150 PolarHBondContact OD1-N 3.32Å; G150-N152 PolarHBondContact O-N 3.05Å; G150-T153 PolarHBondContact N-OG1 3.13Å; G150-T153 PolarHBondContact O-N 3.08Å; G150-T153 PolarHBondContact O-OG1 2.95Å
151	A	94.9	Very high	97.6	Very high	78 Å²	78	22.4 Å²	22.4	65%	0.645	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	137.2	-174.8	0	0	0	0	0	112.2	D131 T153	D131-A151 WeakPolarHBondContact OD2-CA 3.4Å; A151-T153 VanDerWaalsContact C-N 3.31Å; A151-T153 PolarHBondContact O-N 3.33Å
152	N	96.6	Very high	97.6	Very high	81 Å²	81	20.1 Å²	20.1	43%	0.433	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	34.5	177	-55.8	-47.5	0	0	0	114.7	F129 E130 D131 G150	F129-N152 CarbonylContact O-C 3.56Å; E130-N152 WeakPolarHBondContact CA-OD1 3.22Å; E130-N152 HydrophobicContact CB-CB 4.41Å; E130-N152 HydrophobicContact CG-CB 4.31Å; D131-N152 PolarHBondContact N-OD1 3.43Å; D131-N152 PolarHBondContact OD2-N 2.76Å; G150-N152 PolarHBondContact O-N 3.05Å
153	T	97.8	Very high	97.7	Very high	35 Å²	35	22.1 Å²	22.1	22%	0.215	16%	0.155	C	C	.	.			trans	-120.4	34.9	177.8	64.9	0	0	0	0	112.9	K128 A149 G150 A151	K128-T153 WeakPolarHBondContact CD-O 3.44Å; A149-T153 WeakPolarHBondContact CA-OG1 3.48Å; A149-T153 PolarHBondContact N-OG1 3.44Å; G150-T153 PolarHBondContact N-OG1 3.13Å; G150-T153 PolarHBondContact O-N 3.08Å; G150-T153 PolarHBondContact O-OG1 2.95Å; A151-T153 VanDerWaalsContact C-N 3.31Å; A151-T153 PolarHBondContact O-N 3.33Å
154	N	98.6	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-68.5	134.6	175.4	-61	-52.7	0	0	0	110	K128 F129 E130 D131 M146	K128-N154 CarbonylContact C-O 3.44Å; K128-N154 WeakPolarHBondContact CA-O 3.41Å; F129-N154 HydrophobicContact CD1-CB 3.7Å; F129-N154 WeakPolarHBondContact CD1-O 3.3Å; F129-N154 HydrophobicContact CD2-CB 4.2Å; F129-N154 HydrophobicContact CE1-CB 3.38Å; F129-N154 HydrophobicContact CE2-CB 3.92Å; F129-N154 HydrophobicContact CG-CB 4.11Å; F129-N154 HydrophobicContact CZ-CB 3.5Å; F129-N154 PolarHBondContact N-O 3.13Å; F129-N154 WeakPolarHBondContact O-CB 3.47Å; F129-N154 PolarHBondContact O-N 2.81Å; F129-N154 VanDerWaalsContact O-N 3.12Å; E130-N154 PolarHBondContact O-ND2 3.25Å; D131-N154 WeakPolarHBondContact CA-ND2 3.48Å; D131-N154 PolarHBondContact N-ND2 2.99Å; D131-N154 PolarHBondContact OD1-ND2 2.79Å; M146-N154 VanDerWaalsContact CB-OD1 3.3Å; M146-N154 WeakPolarHBondContact CB-OD1 3.31Å; M146-N154 HydrophobicContact CE-CB 3.95Å
155	G	98.6	Very high	97.6	Very high	3 Å²	3	25.7 Å²	25.7	3%	0.031	18%	0.179	C	C	.	.			trans	-126.8	-118.3	176.9	0	0	0	0	0	110.6	N73 F129 M146	N73-G155 PolarHBondContact ND2-O 3.19Å; F129-G155 WeakPolarHBondContact CE1-O 3.47Å; M146-G155 WeakPolarHBondContact CE-O 3.48Å
156	S	98.8	Very high	97.5	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	20%	0.204	C	C	.	.	S	Bend	trans	-107.9	-14.7	172.3	55.7	0	0	0	0	114.2	F94 G111 F113 G121 E122	F94-S156 WeakPolarHBondContact CE1-O 3.35Å; F94-S156 WeakPolarHBondContact CZ-O 3.27Å; G111-S156 CarbonylContact O-C 3.59Å; G111-S156 VanDerWaalsContact O-CB 3.32Å; G111-S156 WeakPolarHBondContact O-CB 3.41Å; G111-S156 PolarHBondContact O-OG 3.21Å; F113-S156 WeakPolarHBondContact CE1-OG 3.19Å; G121-S156 WeakPolarHBondContact CA-OG 3.25Å; E122-S156 PolarHBondContact N-OG 3.3Å; E122-S156 WeakPolarHBondContact O-CB 3.39Å
157	Q	98.9	Very high	97.4	Very high	20 Å²	20	34.7 Å²	34.7	9%	0.093	23%	0.228	C	C	.	.			trans	-72.5	140.7	-176.9	-66.8	-174.2	48	0	0	111.5	H100 Q109 G110 D112 G118 G120 M146 A147	H100-Q157 PolarHBondContact NE2-OE1 3.35Å; Q109-Q157 VanDerWaalsContact NE2-OE1 3.07Å; G110-Q157 VanDerWaalsContact O-CA 3.28Å; G110-Q157 WeakPolarHBondContact O-CA 3.09Å; D112-Q157 HydrophobicContact CB-CG 4.02Å; G118-Q157 PolarHBondContact O-NE2 2.92Å; G120-Q157 PolarHBondContact O-NE2 3.44Å; M146-Q157 WeakPolarHBondContact CE-O 3.32Å; A147-Q157 HydrophobicContact CB-CB 3.81Å; A147-Q157 PolarHBondContact N-O 3.38Å
158	F	98.9	Very high	97.4	Very high	1 Å²	1	35 Å²	35	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	164.4	-177.3	68.7	-88.5	0	0	0	109.9	F46 F74 F94 F99 Q109 G110 L144 S145 I160 F175	F46-F158 HydrophobicContact CD2-CZ 4.4Å; F46-F158 HydrophobicContact CE2-CE1 4.13Å; F46-F158 AromaticContact CE2-CE2 3.85Å; F46-F158 HydrophobicContact CE2-CE2 3.85Å; F46-F158 AromaticContact CE2-CZ 3.39Å; F46-F158 HydrophobicContact CE2-CZ 3.39Å; F46-F158 HydrophobicContact CZ-CE1 4.09Å; F46-F158 AromaticContact CZ-CZ 3.82Å; F46-F158 HydrophobicContact CZ-CZ 3.82Å; F74-F158 HydrophobicContact CE2-CB 3.93Å; F74-F158 AromaticContact CE2-CD1 3.52Å; F74-F158 HydrophobicContact CE2-CD1 3.52Å; F74-F158 HydrophobicContact CE2-CD2 4.19Å; F74-F158 HydrophobicContact CE2-CE1 4.01Å; F74-F158 AromaticContact CE2-CG 3.62Å; F74-F158 HydrophobicContact CE2-CG 3.62Å; F74-F158 HydrophobicContact CZ-CD1 4.2Å; F74-F158 HydrophobicContact CZ-CD2 4.41Å; F74-F158 HydrophobicContact CZ-CE1 4.28Å; F74-F158 HydrophobicContact CZ-CG 4.26Å; F74-F158 HydrophobicContact CZ-CZ 4.45Å; F94-F158 HydrophobicContact CE1-CD1 4.31Å; F94-F158 HydrophobicContact CE1-CE1 4.22Å; F94-F158 HydrophobicContact CZ-CD1 4.13Å; F94-F158 HydrophobicContact CZ-CE1 4.26Å; F99-F158 HydrophobicContact CE1-CE2 4.15Å; F99-F158 HydrophobicContact CE1-CZ 4.11Å; Q109-F158 WeakPolarHBondContact CA-O 3.4Å; Q109-F158 WeakPolarHBondContact CG-O 3.31Å; G110-F158 PolarHBondContact N-O 2.91Å; G110-F158 PolarHBondContact O-N 3.39Å; G110-F158 VanDerWaalsContact O-N 3.1Å; L144-F158 HydrophobicContact CD1-CB 4.15Å; L144-F158 HydrophobicContact CD1-CD2 3.46Å; L144-F158 VanDerWaalsContact CD1-CD2 3.46Å; L144-F158 HydrophobicContact CD1-CE2 4.18Å; L144-F158 HydrophobicContact CD1-CG 4.07Å; S145-F158 CarbonylContact O-C 3.48Å; S145-F158 WeakPolarHBondContact O-CA 3.3Å; F158-I160 HydrophobicContact CD2-CG1 4.34Å; F158-I160 HydrophobicContact CE2-CD1 4.33Å; F158-I160 HydrophobicContact CE2-CG1 4.23Å; F158-F175 HydrophobicContact CB-CZ 4.42Å
159	F	98.9	Very high	97.4	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.035	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	152.7	165.3	62.4	-88.8	0	0	0	111.9	M107 I108 Q109 H138 S145 M146 A147 T161 L168 H172	M107-F159 HydrophobicContact CB-CB 4.21Å; M107-F159 HydrophobicContact CB-CD2 3.95Å; M107-F159 HydrophobicContact CB-CG 4.43Å; M107-F159 HydrophobicContact CG-CB 4.27Å; M107-F159 HydrophobicContact CG-CD2 4.28Å; M107-F159 HydrophobicContact CG-CG 4.45Å; M107-F159 HydrophobicContact SD-CB 3.81Å; M107-F159 HydrophobicContact SD-CG 4.47Å; I108-F159 CarbonylContact O-C 3.59Å; I108-F159 WeakPolarHBondContact O-CA 3.47Å; I108-F159 WeakPolarHBondContact O-CB 3.49Å; Q109-F159 HydrophobicContact CB-CB 4.1Å; H138-F159 AromaticContact NE2-CZ 3.82Å; S145-F159 PolarHBondContact N-O 3.04Å; S145-F159 PolarHBondContact O-N 3.49Å; S145-F159 WeakPolarHBondContact OG-CZ 3.49Å; M146-F159 WeakPolarHBondContact O-CE1 3.4Å; A147-F159 HydrophobicContact CB-CD1 4.33Å; F159-T161 HydrophobicContact CD2-CG2 4.07Å; F159-T161 HydrophobicContact CE2-CG2 3.82Å; F159-L168 HydrophobicContact CE2-CD1 3.67Å; F159-L168 HydrophobicContact CZ-CD1 3.58Å; F159-H172 HydrophobicContact CE1-CB 4.06Å; F159-H172 AromaticContact CE1-CG 3.93Å; F159-H172 AromaticContact CE1-ND1 3.92Å; F159-H172 HydrophobicContact CZ-CB 3.99Å
160	I	98.9	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124	169	-56.7	172.2	0	0	0	107.5	L60 M107 I108 L143 L144 F158 V178 V185	L60-I160 HydrophobicContact CD2-CD1 4.14Å; M107-I160 CarbonylContact C-O 3.51Å; M107-I160 VanDerWaalsContact CA-O 3.26Å; M107-I160 WeakPolarHBondContact CA-O 3.24Å; M107-I160 WeakPolarHBondContact CB-O 3.38Å; I108-I160 HydrophobicContact CD1-CB 4.28Å; I108-I160 HydrophobicContact CD1-CD1 4.4Å; I108-I160 HydrophobicContact CG1-CB 3.82Å; I108-I160 PolarHBondContact N-O 3.05Å; I108-I160 PolarHBondContact O-N 2.86Å; L143-I160 WeakPolarHBondContact O-CA 3.44Å; L144-I160 HydrophobicContact CD1-CG1 3.8Å; F158-I160 HydrophobicContact CD2-CG1 4.34Å; F158-I160 HydrophobicContact CE2-CD1 4.33Å; F158-I160 HydrophobicContact CE2-CG1 4.23Å; I160-V178 HydrophobicContact CG2-CG2 3.86Å; I160-V185 HydrophobicContact CD1-CG2 4.34Å; I160-V185 HydrophobicContact CG2-CG1 3.94Å; I160-V185 HydrophobicContact CG2-CG2 4.17Å
161	T	98.7	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	140.4	179.5	53.2	0	0	0	0	111.6	K140 G142 L143 F159 T165	K140-T161 PolarHBondContact O-OG1 3.49Å; G142-T161 PolarHBondContact N-O 3Å; G142-T161 PolarHBondContact N-OG1 3.29Å; L143-T161 HydrophobicContact CB-CG2 4.41Å; L143-T161 WeakPolarHBondContact CB-OG1 3.43Å; L143-T161 PolarHBondContact N-OG1 3.45Å; L143-T161 PolarHBondContact O-N 3.26Å; L143-T161 PolarHBondContact O-OG1 3.33Å; F159-T161 HydrophobicContact CD2-CG2 4.07Å; F159-T161 HydrophobicContact CE2-CG2 3.82Å; T161-T165 HydrophobicContact CG2-CG2 4.46Å; T161-T165 WeakPolarHBondContact CG2-OG1 3.43Å
162	T	98.1	Very high	98	Very high	13 Å²	13	34.8 Å²	34.8	8%	0.08	20%	0.198	C	C	.	.	S	Bend	trans	-106.7	-9.9	174	62.4	0	0	0	0	112.9	F106 I108 V141 V185 E189	F106-T162 VanDerWaalsContact C-OG1 3.26Å; F106-T162 PolarHBondContact N-OG1 2.93Å; F106-T162 VanDerWaalsContact N-OG1 3.11Å; F106-T162 PolarHBondContact O-N 2.98Å; F106-T162 PolarHBondContact O-OG1 3.25Å; I108-T162 HydrophobicContact CG2-CG2 4.39Å; V141-T162 VanDerWaalsContact CG2-O 3.27Å; V141-T162 WeakPolarHBondContact CG2-O 3.31Å; T162-V185 HydrophobicContact CG2-CG1 3.96Å; T162-E189 WeakPolarHBondContact CB-OE1 3.36Å; T162-E189 HydrophobicContact CG2-CB 3.88Å; T162-E189 VanDerWaalsContact CG2-CD 3.5Å; T162-E189 HydrophobicContact CG2-CG 3.85Å; T162-E189 VanDerWaalsContact OG1-CD 3.27Å; T162-E189 PolarHBondContact OG1-OE1 3.39Å
163	V	97.8	Very high	98	Very high	44 Å²	44	31 Å²	31	27%	0.267	18%	0.177	S	C	.	.	S	Bend	trans	-145.8	167.4	172.6	-62.4	0	0	0	0	109.5	K105 T165	K105-V163 HydrophobicContact CB-CG1 4.32Å; K105-V163 WeakPolarHBondContact O-CG2 3.42Å; V163-T165 HydrophobicContact CG2-CG2 4.12Å; V163-T165 PolarHBondContact O-N 2.89Å
164	P	98	Very high	98.1	Very high	75 Å²	75	29.4 Å²	29.4	49%	0.487	17%	0.168	S	C	.	.			trans	-57.5	133.3	166.7	-23.8	34.4	0	0	0	111.9	H138 D139 P166	H138-P164 CarbonylContact O-C 3.5Å; H138-P164 WeakPolarHBondContact O-CA 3.37Å; D139-P164 WeakPolarHBondContact O-CG 3.47Å; P164-P166 VanDerWaalsContact C-CD 3.47Å
165	T	97.7	Very high	98.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	17%	0.168	C	C	.	.			trans	-130.4	56.2	-174.8	49.9	0	0	0	0	113.1	F106 H138 T161 V163 H167 L168	F106-T165 HydrophobicContact CD2-CG2 3.42Å; F106-T165 VanDerWaalsContact CD2-CG2 3.42Å; F106-T165 HydrophobicContact CE2-CG2 3.55Å; H138-T165 WeakPolarHBondContact CB-O 3.19Å; H138-T165 VanDerWaalsContact CB-OG1 3.26Å; H138-T165 WeakPolarHBondContact CB-OG1 3.26Å; H138-T165 PolarHBondContact O-N 2.84Å; T161-T165 HydrophobicContact CG2-CG2 4.46Å; T161-T165 WeakPolarHBondContact CG2-OG1 3.43Å; V163-T165 HydrophobicContact CG2-CG2 4.12Å; V163-T165 PolarHBondContact O-N 2.89Å; T165-H167 PolarHBondContact O-N 3.3Å; T165-L168 WeakPolarHBondContact O-CB 3.26Å; T165-L168 PolarHBondContact O-N 3.45Å
166	P	97.4	Very high	98.1	Very high	82 Å²	82	29.3 Å²	29.3	53%	0.532	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-62.3	-16.2	-172.4	26.7	-36.9	0	0	0	114.7	P164 L168 D169	P164-P166 VanDerWaalsContact C-CD 3.47Å; P166-L168 PolarHBondContact O-N 3.44Å; P166-D169 VanDerWaalsContact O-CB 3.31Å; P166-D169 WeakPolarHBondContact O-CB 3.39Å; P166-D169 PolarHBondContact O-N 2.63Å; P166-D169 VanDerWaalsContact O-N 3.15Å
167	H	97	Very high	98.1	Very high	107 Å²	107	29.2 Å²	29.2	50%	0.495	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-68.3	-11.8	174.2	62.3	-86.5	0	0	0	113.6	F106 T165 K171	F106-H167 AromaticContact CE2-CE1 3.52Å; F106-H167 AromaticContact CE2-NE2 3.27Å; F106-H167 VanDerWaalsContact CE2-NE2 3.27Å; F106-H167 WeakPolarHBondContact CE2-NE2 3.3Å; F106-H167 AromaticContact CZ-NE2 3.67Å; T165-H167 PolarHBondContact O-N 3.3Å; H167-K171 PolarHBondContact O-NZ 3.49Å
168	L	97.5	Very high	98	Very high	17 Å²	17	28.3 Å²	28.3	9%	0.089	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-92.8	-9	174.4	-55.8	-174.5	0	0	0	113.1	F106 H138 F159 T165 P166 G170 K171 H172	F106-L168 HydrophobicContact CE2-CD1 3.9Å; F106-L168 HydrophobicContact CE2-CG 4.43Å; F106-L168 HydrophobicContact CZ-CD1 4.07Å; F106-L168 HydrophobicContact CZ-CD2 4.33Å; H138-L168 PolarHBondContact CE1-O 3.26Å; F159-L168 HydrophobicContact CE2-CD1 3.67Å; F159-L168 HydrophobicContact CZ-CD1 3.58Å; T165-L168 WeakPolarHBondContact O-CB 3.26Å; T165-L168 PolarHBondContact O-N 3.45Å; P166-L168 PolarHBondContact O-N 3.44Å; L168-G170 PolarHBondContact O-N 3.14Å; L168-K171 WeakPolarHBondContact O-CB 3.46Å; L168-K171 PolarHBondContact O-N 3.1Å; L168-K171 VanDerWaalsContact O-N 3.1Å; L168-H172 PolarHBondContact O-N 2.68Å
169	D	97.2	Very high	97.8	Very high	44 Å²	44	29.1 Å²	29.1	24%	0.235	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	136	179.6	-68.2	-9.8	0	0	0	111.2	K137 H138 P166 K171	K137-D169 WeakPolarHBondContact CA-OD1 3.33Å; H138-D169 IonicContact CG-OD1 2.79Å; H138-D169 PolarHBondContact N-OD1 2.95Å; H138-D169 IonicContact ND1-OD1 3.05Å; H138-D169 PolarHBondContact ND1-OD1 3.24Å; P166-D169 VanDerWaalsContact O-CB 3.31Å; P166-D169 WeakPolarHBondContact O-CB 3.39Å; P166-D169 PolarHBondContact O-N 2.63Å; P166-D169 VanDerWaalsContact O-N 3.15Å; D169-K171 PolarHBondContact O-N 2.72Å
170	G	95.8	Very high	97.5	Very high	45 Å²	45	30.7 Å²	30.7	46%	0.464	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	6.1	-177.2	0	0	0	0	0	115	F134 L168	F134-G170 WeakPolarHBondContact CZ-O 3.41Å; L168-G170 PolarHBondContact O-N 3.14Å
171	K	97.4	Very high	97.3	Very high	122 Å²	122	30.8 Å²	30.8	53%	0.53	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-31.7	-180	-59.1	174.2	-172.9	161.6	0	113.4	N148 H167 L168 D169	N148-K171 PolarHBondContact ND2-O 3.11Å; H167-K171 PolarHBondContact O-NZ 3.49Å; L168-K171 WeakPolarHBondContact O-CB 3.46Å; L168-K171 PolarHBondContact O-N 3.1Å; L168-K171 VanDerWaalsContact O-N 3.1Å; D169-K171 PolarHBondContact O-N 2.72Å
172	H	98.4	Very high	97.2	Very high	31 Å²	31	31.9 Å²	31.9	14%	0.144	18%	0.179	C	C	.	.	S	Bend	trans	-125.4	134.7	-179.6	-63.1	-82	0	0	0	109.7	H138 S145 M146 N148 F159 L168 V174	H138-H172 PolarHBondContact CE1-O 2.6Å; S145-H172 WeakPolarHBondContact OG-CB 3.39Å; M146-H172 WeakPolarHBondContact O-CB 3.03Å; M146-H172 PolarHBondContact O-ND1 2.95Å; N148-H172 PolarHBondContact OD1-CE1 3.3Å; F159-H172 HydrophobicContact CE1-CB 4.06Å; F159-H172 AromaticContact CE1-CG 3.93Å; F159-H172 AromaticContact CE1-ND1 3.92Å; F159-H172 HydrophobicContact CZ-CB 3.99Å; L168-H172 PolarHBondContact O-N 2.68Å; H172-V174 PolarHBondContact O-N 2.79Å
173	V	98.6	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.			trans	-76.4	112.1	-179.8	-179.5	0	0	0	0	108.6	T67 T70 D131 F134 S145 M146 F175	T67-V173 HydrophobicContact CG2-CG1 3.83Å; T70-V173 HydrophobicContact CG2-CG1 4.15Å; D131-V173 HydrophobicContact CB-CG2 3.92Å; F134-V173 HydrophobicContact CE1-CG2 4.22Å; S145-V173 VanDerWaalsContact CA-O 3.29Å; S145-V173 WeakPolarHBondContact CA-O 3.2Å; S145-V173 PolarHBondContact OG-O 3.31Å; S145-V173 VanDerWaalsContact OG-O 3.08Å; M146-V173 HydrophobicContact CB-CB 4.41Å; M146-V173 HydrophobicContact CG-CB 4.29Å; M146-V173 PolarHBondContact N-O 3.41Å; V173-F175 HydrophobicContact CG1-CB 4.46Å; V173-F175 WeakPolarHBondContact O-CD1 3.46Å
174	V	98.7	Very high	96.9	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.018	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	121.8	168.5	177.8	0	0	0	0	108.3	V31 F63 H138 L143 H172	V31-V174 HydrophobicContact CG2-CG1 4.43Å; F63-V174 HydrophobicContact CE2-CG1 4.16Å; H138-V174 VanDerWaalsContact CE1-CG2 3.41Å; H138-V174 WeakPolarHBondContact CE1-CG2 3.38Å; H138-V174 VanDerWaalsContact NE2-CG2 3.32Å; H138-V174 WeakPolarHBondContact NE2-CG2 3.38Å; L143-V174 HydrophobicContact CB-CG1 4.47Å; H172-V174 PolarHBondContact O-N 2.79Å
175	F	98.7	Very high	96.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	7	-171.9	71.5	-88.4	0	0	0	114.1	L62 F63 T67 T70 F74 L144 S145 M146 F158 V173	L62-F175 CarbonylContact C-O 3.51Å; L62-F175 WeakPolarHBondContact CA-O 3.46Å; L62-F175 HydrophobicContact CD2-CD2 4.26Å; L62-F175 HydrophobicContact CD2-CE2 4.09Å; F63-F175 PolarHBondContact N-O 3.11Å; T67-F175 WeakPolarHBondContact OG1-CB 3.3Å; T70-F175 HydrophobicContact CG2-CB 3.56Å; T70-F175 HydrophobicContact CG2-CD1 3.63Å; T70-F175 HydrophobicContact CG2-CD2 4.02Å; T70-F175 HydrophobicContact CG2-CE1 4.29Å; T70-F175 HydrophobicContact CG2-CG 3.47Å; T70-F175 VanDerWaalsContact CG2-CG 3.47Å; F74-F175 HydrophobicContact CB-CD2 4.38Å; F74-F175 HydrophobicContact CB-CE2 3.54Å; F74-F175 HydrophobicContact CB-CZ 4.19Å; F74-F175 HydrophobicContact CD1-CE2 4.15Å; F74-F175 AromaticContact CD2-CE2 3.58Å; F74-F175 HydrophobicContact CD2-CE2 3.58Å; F74-F175 AromaticContact CD2-CZ 3.44Å; F74-F175 HydrophobicContact CD2-CZ 3.44Å; F74-F175 VanDerWaalsContact CD2-CZ 3.44Å; F74-F175 HydrophobicContact CE2-CE2 4.24Å; F74-F175 AromaticContact CE2-CZ 3.88Å; F74-F175 HydrophobicContact CE2-CZ 3.88Å; F74-F175 AromaticContact CG-CE2 3.5Å; F74-F175 HydrophobicContact CG-CE2 3.5Å; F74-F175 VanDerWaalsContact CG-CE2 3.5Å; F74-F175 AromaticContact CG-CZ 3.89Å; F74-F175 HydrophobicContact CG-CZ 3.89Å; L144-F175 HydrophobicContact CD1-CZ 4.07Å; L144-F175 HydrophobicContact CD2-CD2 4.03Å; L144-F175 HydrophobicContact CD2-CE1 4.37Å; L144-F175 HydrophobicContact CD2-CE2 3.28Å; L144-F175 HydrophobicContact CD2-CZ 3.51Å; L144-F175 HydrophobicContact CG-CD2 4.4Å; L144-F175 HydrophobicContact CG-CE1 3.87Å; L144-F175 HydrophobicContact CG-CE2 3.71Å; L144-F175 HydrophobicContact CG-CZ 3.42Å; L144-F175 VanDerWaalsContact CG-CZ 3.42Å; L144-F175 PolarHBondContact O-N 3.19Å; S145-F175 VanDerWaalsContact C-CE1 3.47Å; M146-F175 HydrophobicContact CB-CE1 4.5Å; M146-F175 HydrophobicContact CG-CD1 3.79Å; M146-F175 HydrophobicContact CG-CE1 3.71Å; M146-F175 HydrophobicContact SD-CD1 4.03Å; M146-F175 HydrophobicContact SD-CE1 3.42Å; M146-F175 WeakPolarHBondContact SD-CE1 3.43Å; M146-F175 HydrophobicContact SD-CZ 3.87Å; F158-F175 HydrophobicContact CB-CZ 4.42Å; V173-F175 HydrophobicContact CG1-CB 4.46Å; V173-F175 WeakPolarHBondContact O-CD1 3.46Å
176	G	98.4	Very high	96.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	-177.9	175.3	0	0	0	0	0	114.1	E61 F63 L144	E61-G176 CarbonylContact O-C 3.57Å; E61-G176 WeakPolarHBondContact O-CA 3.3Å; F63-G176 VanDerWaalsContact CD2-N 3.27Å; F63-G176 VanDerWaalsContact CE2-C 3.5Å; F63-G176 VanDerWaalsContact CE2-CA 3.49Å; F63-G176 WeakPolarHBondContact CE2-O 3.3Å; L144-G176 PolarHBondContact N-O 2.92Å; L144-G176 PolarHBondContact O-N 3.45Å
177	Q	98.3	Very high	96.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	155.7	175	63.3	175.7	-19.6	0	0	112.4	E34 L60 E61 F63 G142 L143 L179	E34-Q177 PolarHBondContact O-NE2 3.02Å; L60-Q177 CarbonylContact C-O 3.44Å; L60-Q177 WeakPolarHBondContact CA-O 3.47Å; E61-Q177 HydrophobicContact CB-CG 4.18Å; E61-Q177 PolarHBondContact N-O 2.92Å; E61-Q177 PolarHBondContact O-N 3.46Å; E61-Q177 PolarHBondContact OE2-NE2 2.93Å; F63-Q177 HydrophobicContact CE1-CB 4.47Å; F63-Q177 HydrophobicContact CE1-CG 3.84Å; F63-Q177 HydrophobicContact CZ-CB 3.88Å; F63-Q177 HydrophobicContact CZ-CG 3.72Å; G142-Q177 CarbonylContact O-C 3.51Å; G142-Q177 VanDerWaalsContact O-CA 3.29Å; G142-Q177 WeakPolarHBondContact O-CA 3.25Å; L143-Q177 HydrophobicContact CD2-CB 4.15Å; Q177-L179 PolarHBondContact O-N 3.32Å
178	V	97.4	Very high	96.7	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	119.5	171.3	179.2	0	0	0	0	110	K35 I58 L60 G142 I160 K180 I182 V185	K35-V178 WeakPolarHBondContact CE-O 3.46Å; K35-V178 PolarHBondContact NZ-O 3.46Å; I58-V178 HydrophobicContact CG2-CG1 4.19Å; I58-V178 HydrophobicContact CG2-CG2 4.19Å; L60-V178 HydrophobicContact CD2-CB 4.45Å; L60-V178 HydrophobicContact CD2-CG2 3.69Å; G142-V178 WeakPolarHBondContact O-CG2 3.44Å; G142-V178 PolarHBondContact O-N 3Å; I160-V178 HydrophobicContact CG2-CG2 3.86Å; V178-K180 VanDerWaalsContact CG1-O 3.31Å; V178-K180 WeakPolarHBondContact CG1-O 3.48Å; V178-I182 HydrophobicContact CB-CD1 4.11Å; V178-I182 HydrophobicContact CG1-CB 4.18Å; V178-I182 HydrophobicContact CG1-CD1 4.08Å; V178-I182 HydrophobicContact CG2-CD1 4.2Å; V178-V185 HydrophobicContact CG2-CG2 4.2Å
179	L	94.7	Very high	96.7	Very high	18 Å²	18	24.9 Å²	24.9	9%	0.094	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-49.1	171.5	-66.1	-178.8	0	0	0	111.8	K35 P36 R43 V59 E61 Q177 W216	K35-L179 HydrophobicContact CB-CD2 3.71Å; K35-L179 HydrophobicContact CG-CD2 4.23Å; P36-L179 HydrophobicContact CB-CD2 4.18Å; R43-L179 HydrophobicContact CG-CD1 3.62Å; V59-L179 HydrophobicContact CG1-CD1 4.48Å; V59-L179 PolarHBondContact O-N 2.94Å; E61-L179 HydrophobicContact CB-CD1 3.92Å; E61-L179 HydrophobicContact CB-CD2 3.9Å; E61-L179 HydrophobicContact CB-CG 3.8Å; Q177-L179 PolarHBondContact O-N 3.32Å; L179-W216 HydrophobicContact CD1-CZ3 4.37Å
180	K	93.8	Very high	96.7	Very high	40 Å²	40	26.5 Å²	26.5	17%	0.174	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	153.5	179.7	-63.5	-68.9	-172.1	171.5	0	110.3	V59 V178 W216 D234	V59-K180 HydrophobicContact CB-CB 4.11Å; V59-K180 HydrophobicContact CG2-CB 4.21Å; V59-K180 PolarHBondContact N-O 3.48Å; V59-K180 PolarHBondContact O-N 3.43Å; V178-K180 VanDerWaalsContact CG1-O 3.31Å; V178-K180 WeakPolarHBondContact CG1-O 3.48Å; K180-W216 HydrophobicContact CG-CD2 4.22Å; K180-W216 HydrophobicContact CG-CE3 3.71Å; K180-W216 HydrophobicContact CG-CZ3 4.19Å; K180-D234 VanDerWaalsContact CA-OD1 3.25Å; K180-D234 WeakPolarHBondContact CA-OD1 3.48Å; K180-D234 HydrophobicContact CD-CB 4.03Å; K180-D234 VanDerWaalsContact CD-OD1 3.32Å; K180-D234 WeakPolarHBondContact CD-OD1 3.5Å; K180-D234 PolarHBondContact NZ-O 2.92Å
181	G	94.4	Very high	96.7	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.021	13%	0.128	C	C	.	.			trans	85.4	26	176.4	0	0	0	0	0	114	R57 G183 V184 V185 D234	R57-G181 WeakPolarHBondContact O-CA 3.31Å; G181-G183 PolarHBondContact O-N 3.47Å; G181-V184 WeakPolarHBondContact O-CB 3.3Å; G181-V184 PolarHBondContact O-N 3.04Å; G181-V185 PolarHBondContact O-N 2.94Å; G181-D234 VanDerWaalsContact CA-OD2 3.3Å; G181-D234 WeakPolarHBondContact CA-OD2 3.43Å; G181-D234 VanDerWaalsContact N-CG 3.32Å; G181-D234 PolarHBondContact N-OD1 3.45Å; G181-D234 VanDerWaalsContact N-OD1 3.07Å; G181-D234 PolarHBondContact N-OD2 3.09Å
182	I	95.4	Very high	96.7	Very high	23 Å²	23	26.8 Å²	26.8	12%	0.118	14%	0.136	C	C	.	.	H	α-helix	trans	-62.1	-27.5	175.7	-163.2	61.7	0	0	0	111.9	V141 V178 V184 V185 K186	V141-I182 HydrophobicContact CG2-CD1 4.19Å; V178-I182 HydrophobicContact CB-CD1 4.11Å; V178-I182 HydrophobicContact CG1-CB 4.18Å; V178-I182 HydrophobicContact CG1-CD1 4.08Å; V178-I182 HydrophobicContact CG2-CD1 4.2Å; I182-V184 VanDerWaalsContact C-N 3.33Å; I182-V185 HydrophobicContact CD1-CB 4.2Å; I182-V185 HydrophobicContact CD1-CG1 4.42Å; I182-V185 HydrophobicContact CD1-CG2 4.37Å; I182-V185 WeakPolarHBondContact O-CB 3.29Å; I182-V185 PolarHBondContact O-N 3.3Å; I182-K186 WeakPolarHBondContact O-CG 2.92Å; I182-K186 PolarHBondContact O-N 3.07Å
183	G	93.3	Very high	96.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.4	-32.1	172.2	0	0	0	0	0	113.9	G181 V185 K186 M187 F231	G181-G183 PolarHBondContact O-N 3.47Å; G183-V185 VanDerWaalsContact C-N 3.35Å; G183-K186 PolarHBondContact O-N 3.09Å; G183-M187 WeakPolarHBondContact O-CG 3.36Å; G183-M187 PolarHBondContact O-N 3.46Å; G183-F231 VanDerWaalsContact CA-CD1 3.46Å; G183-F231 WeakPolarHBondContact O-CZ 3.25Å
184	V	95.9	Very high	96.6	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-66.4	-39.7	172.6	-175.6	0	0	0	0	110.5	V48 A55 I58 G181 I182 K186 M187 L188 F231	V48-V184 HydrophobicContact CB-CG1 3.89Å; V48-V184 HydrophobicContact CG1-CG1 4.26Å; V48-V184 HydrophobicContact CG2-CG1 4Å; A55-V184 HydrophobicContact CB-CG1 4.4Å; I58-V184 HydrophobicContact CD1-CB 4.32Å; I58-V184 HydrophobicContact CD1-CG1 4.04Å; I58-V184 HydrophobicContact CG1-CB 3.8Å; I58-V184 HydrophobicContact CG1-CG1 3.85Å; G181-V184 WeakPolarHBondContact O-CB 3.3Å; G181-V184 PolarHBondContact O-N 3.04Å; I182-V184 VanDerWaalsContact C-N 3.33Å; V184-K186 PolarHBondContact O-N 3.26Å; V184-M187 HydrophobicContact CB-CE 4.29Å; V184-M187 HydrophobicContact CG1-CE 4.43Å; V184-M187 HydrophobicContact CG2-CE 4.09Å; V184-M187 PolarHBondContact O-N 2.88Å; V184-L188 PolarHBondContact O-N 3.46Å; V184-F231 HydrophobicContact CG2-CD2 4.41Å; V184-F231 HydrophobicContact CG2-CE2 3.98Å
185	V	97.8	Very high	96.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-44.5	171.9	175.6	0	0	0	0	111.2	I58 I108 I160 T162 V178 G181 I182 G183 M187 L188 E189	I58-V185 HydrophobicContact CD1-CG2 3.75Å; I58-V185 HydrophobicContact CG1-CG2 4.23Å; I58-V185 HydrophobicContact CG2-CG2 4.33Å; I108-V185 HydrophobicContact CD1-CB 4.27Å; I108-V185 HydrophobicContact CD1-CG1 3.78Å; I108-V185 HydrophobicContact CD1-CG2 4.29Å; I108-V185 HydrophobicContact CG1-CG1 4.3Å; I160-V185 HydrophobicContact CD1-CG2 4.34Å; I160-V185 HydrophobicContact CG2-CG1 3.94Å; I160-V185 HydrophobicContact CG2-CG2 4.17Å; T162-V185 HydrophobicContact CG2-CG1 3.96Å; V178-V185 HydrophobicContact CG2-CG2 4.2Å; G181-V185 PolarHBondContact O-N 2.94Å; I182-V185 HydrophobicContact CD1-CB 4.2Å; I182-V185 HydrophobicContact CD1-CG1 4.42Å; I182-V185 HydrophobicContact CD1-CG2 4.37Å; I182-V185 WeakPolarHBondContact O-CB 3.29Å; I182-V185 PolarHBondContact O-N 3.3Å; G183-V185 VanDerWaalsContact C-N 3.35Å; V185-M187 VanDerWaalsContact C-N 3.33Å; V185-M187 PolarHBondContact O-N 3.24Å; V185-L188 PolarHBondContact O-N 3.13Å; V185-E189 WeakPolarHBondContact O-CB 3.46Å; V185-E189 PolarHBondContact O-N 3.36Å
186	K	95.6	Very high	96.4	Very high	99 Å²	99	43.6 Å²	43.6	43%	0.43	23%	0.226	S	C	.	.	H	α-helix	trans	-64.8	-34	175.5	-69.3	176.2	-177.1	173.2	0	112.7	I182 G183 V184 E189 S190 E233	I182-K186 WeakPolarHBondContact O-CG 2.92Å; I182-K186 PolarHBondContact O-N 3.07Å; G183-K186 PolarHBondContact O-N 3.09Å; V184-K186 PolarHBondContact O-N 3.26Å; K186-E189 PolarHBondContact O-N 3.41Å; K186-S190 WeakPolarHBondContact O-CB 3.49Å; K186-S190 PolarHBondContact O-N 3.31Å; K186-S190 VanDerWaalsContact O-N 3.11Å; K186-S190 PolarHBondContact O-OG 2.85Å; K186-E233 IonicContact NZ-OE1 3.98Å
187	M	94.7	Very high	96.4	Very high	60 Å²	60	47.2 Å²	47.2	30%	0.296	25%	0.248	S	C	.	.	H	α-helix	trans	-67.3	-44.1	173.5	-76.4	-167.8	-63.1	0	0	111.8	I50 A55 G183 V184 V185 E189 S190 V191 F231	I50-M187 HydrophobicContact CD1-CB 4.27Å; A55-M187 HydrophobicContact CB-CE 4.13Å; A55-M187 WeakPolarHBondContact O-CE 3.42Å; G183-M187 WeakPolarHBondContact O-CG 3.36Å; G183-M187 PolarHBondContact O-N 3.46Å; V184-M187 HydrophobicContact CB-CE 4.29Å; V184-M187 HydrophobicContact CG1-CE 4.43Å; V184-M187 HydrophobicContact CG2-CE 4.09Å; V184-M187 PolarHBondContact O-N 2.88Å; V185-M187 VanDerWaalsContact C-N 3.33Å; V185-M187 PolarHBondContact O-N 3.24Å; M187-E189 VanDerWaalsContact C-N 3.3Å; M187-E189 PolarHBondContact O-N 2.93Å; M187-S190 PolarHBondContact O-N 2.85Å; M187-S190 PolarHBondContact O-OG 3.47Å; M187-V191 WeakPolarHBondContact O-CG1 3.31Å; M187-V191 PolarHBondContact O-N 3.06Å; M187-F231 HydrophobicContact CE-CE2 3.48Å; M187-F231 VanDerWaalsContact CE-CE2 3.48Å; M187-F231 HydrophobicContact CE-CZ 3.41Å; M187-F231 VanDerWaalsContact CE-CZ 3.41Å; M187-F231 HydrophobicContact CG-CZ 3.83Å; M187-F231 HydrophobicContact SD-CE2 4.35Å; M187-F231 HydrophobicContact SD-CZ 3.68Å
188	L	97.9	Very high	96.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-43.1	172.9	-75.3	170.1	0	0	0	111.1	V48 I50 I58 F99 I102 I108 V184 V185 S190 V191 C202	V48-L188 HydrophobicContact CG1-CD1 3.99Å; V48-L188 HydrophobicContact CG1-CD2 3.89Å; V48-L188 HydrophobicContact CG1-CG 4.16Å; V48-L188 HydrophobicContact CG2-CD1 4.44Å; I50-L188 HydrophobicContact CD1-CD2 3.91Å; I50-L188 HydrophobicContact CD1-CG 4.31Å; I50-L188 HydrophobicContact CG1-CD2 3.92Å; I58-L188 HydrophobicContact CD1-CD1 4.26Å; F99-L188 HydrophobicContact CD1-CD1 4.48Å; F99-L188 HydrophobicContact CD2-CD1 3.98Å; F99-L188 HydrophobicContact CD2-CD2 4.03Å; F99-L188 HydrophobicContact CE1-CD1 4.21Å; F99-L188 HydrophobicContact CE2-CD1 3.69Å; F99-L188 HydrophobicContact CE2-CD2 4.41Å; F99-L188 HydrophobicContact CG-CD1 4.37Å; F99-L188 HydrophobicContact CZ-CD1 3.81Å; I102-L188 HydrophobicContact CD1-CB 4.25Å; I102-L188 HydrophobicContact CD1-CD2 4.47Å; I102-L188 VanDerWaalsContact CD1-O 3.31Å; I102-L188 WeakPolarHBondContact CD1-O 3.49Å; I102-L188 WeakPolarHBondContact CG2-O 3.47Å; I108-L188 HydrophobicContact CD1-CB 3.96Å; I108-L188 HydrophobicContact CD1-CD1 3.58Å; I108-L188 HydrophobicContact CD1-CG 4.44Å; I108-L188 HydrophobicContact CG2-CB 4.18Å; V184-L188 PolarHBondContact O-N 3.46Å; V185-L188 PolarHBondContact O-N 3.13Å; L188-S190 PolarHBondContact O-N 3.49Å; L188-V191 VanDerWaalsContact O-CG2 3.24Å; L188-V191 WeakPolarHBondContact O-CG2 3.31Å; L188-V191 PolarHBondContact O-N 3.03Å; L188-C202 HydrophobicContact CD2-CB 3.62Å
189	E	98.1	Very high	96.4	Very high	29 Å²	29	52.5 Å²	52.5	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-30.4	176.8	-174.8	-171.9	-154.7	0	0	113.7	K104 K105 I108 T162 V185 K186 M187	K104-E189 HydrophobicContact CB-CG 4.45Å; K104-E189 HydrophobicContact CG-CG 4.24Å; K105-E189 VanDerWaalsContact CA-OE1 3.25Å; K105-E189 WeakPolarHBondContact CA-OE1 3.45Å; K105-E189 PolarHBondContact N-OE1 3.24Å; I108-E189 HydrophobicContact CG2-CB 4.38Å; T162-E189 WeakPolarHBondContact CB-OE1 3.36Å; T162-E189 HydrophobicContact CG2-CB 3.88Å; T162-E189 VanDerWaalsContact CG2-CD 3.5Å; T162-E189 HydrophobicContact CG2-CG 3.85Å; T162-E189 VanDerWaalsContact OG1-CD 3.27Å; T162-E189 PolarHBondContact OG1-OE1 3.39Å; V185-E189 WeakPolarHBondContact O-CB 3.46Å; V185-E189 PolarHBondContact O-N 3.36Å; K186-E189 PolarHBondContact O-N 3.41Å; M187-E189 VanDerWaalsContact C-N 3.3Å; M187-E189 PolarHBondContact O-N 2.93Å
190	S	96.5	Very high	96.5	Very high	78 Å²	78	56.6 Å²	56.6	55%	0.545	29%	0.294	S	S	.	.	H	α-helix	trans	-88.1	-5.6	-174.4	73.1	0	0	0	0	114.4	K186 M187 L188	K186-S190 WeakPolarHBondContact O-CB 3.49Å; K186-S190 PolarHBondContact O-N 3.31Å; K186-S190 VanDerWaalsContact O-N 3.11Å; K186-S190 PolarHBondContact O-OG 2.85Å; M187-S190 PolarHBondContact O-N 2.85Å; M187-S190 PolarHBondContact O-OG 3.47Å; L188-S190 PolarHBondContact O-N 3.49Å
191	V	96.9	Very high	96.7	Very high	26 Å²	26	58.3 Å²	58.3	16%	0.158	31%	0.309	C	S	.	.	S	Bend	trans	-64	151.2	177.8	-52.2	0	0	0	0	111.4	I50 I102 M187 L188 T193 P198	I50-V191 HydrophobicContact CD1-CG1 4.27Å; I50-V191 HydrophobicContact CG2-CG1 4.2Å; I102-V191 HydrophobicContact CD1-CG2 3.95Å; I102-V191 HydrophobicContact CG2-CG2 4.41Å; M187-V191 WeakPolarHBondContact O-CG1 3.31Å; M187-V191 PolarHBondContact O-N 3.06Å; L188-V191 VanDerWaalsContact O-CG2 3.24Å; L188-V191 WeakPolarHBondContact O-CG2 3.31Å; L188-V191 PolarHBondContact O-N 3.03Å; V191-T193 HydrophobicContact CG2-CG2 4.31Å; V191-P198 HydrophobicContact CG2-CB 4Å; V191-P198 HydrophobicContact CG2-CG 4.27Å
192	E	97.3	Very high	96.9	Very high	147 Å²	147	58.3 Å²	58.3	69%	0.687	31%	0.309	S	S	*	.			trans	-68.5	137.4	173.4	-62.3	-177.2	168	0	0	110.7	I199	E192-I199 HydrophobicContact CB-CD1 3.81Å; E192-I199 HydrophobicContact CB-CG1 4.35Å; E192-I199 PolarHBondContact O-N 2.89Å
193	T	97.7	Very high	97.1	Very high	57 Å²	57	59.4 Å²	59.4	35%	0.35	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152	-178.6	55.6	0	0	0	0	111.2	I102 V191 T197	I102-T193 HydrophobicContact CB-CG2 4.04Å; I102-T193 HydrophobicContact CG2-CG2 4.2Å; V191-T193 HydrophobicContact CG2-CG2 4.31Å; T193-T197 CarbonylContact C-O 3.57Å; T193-T197 WeakPolarHBondContact CA-O 3.26Å; T193-T197 WeakPolarHBondContact CB-O 3.36Å
194	T	97.5	Very high	97.3	Very high	87 Å²	87	59.5 Å²	59.5	53%	0.534	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.5	167.1	-58.7	0	0	0	0	107.4	D196 T197	T194-D196 VanDerWaalsContact C-N 3.3Å; T194-D196 PolarHBondContact O-N 3.07Å; T194-T197 PolarHBondContact N-O 3.16Å; T194-T197 WeakPolarHBondContact O-CB 3.44Å; T194-T197 PolarHBondContact O-N 3.13Å
195	E	95.9	Very high	97.4	Very high	185 Å²	185	60.6 Å²	60.6	86%	0.864	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	47.4	-175.9	-59	-176.1	170.9	0	0	112.7	T197	E195-T197 PolarHBondContact O-N 3Å
196	D	98	Very high	97.4	Very high	58 Å²	58	63.3 Å²	63.3	31%	0.31	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	-6.1	-173.9	-49.6	-25.3	0	0	0	115.1	R101 I102 I103 T194	R101-D196 CarbonylContact C-O 3.47Å; R101-D196 WeakPolarHBondContact CA-O 3.27Å; R101-D196 HydrophobicContact CG-CB 3.7Å; R101-D196 IonicContact CZ-OD2 2.79Å; R101-D196 IonicContact NE-OD2 3.8Å; R101-D196 PolarHBondContact NE-OD2 3.5Å; R101-D196 IonicContact NH2-OD2 2.64Å; R101-D196 PolarHBondContact NH2-OD2 3.01Å; I102-D196 PolarHBondContact N-O 2.63Å; I103-D196 HydrophobicContact CD1-CB 4.35Å; I103-D196 VanDerWaalsContact CD1-OD2 3.3Å; I103-D196 WeakPolarHBondContact CD1-OD2 3.34Å; I103-D196 HydrophobicContact CG1-CB 3.89Å; T194-D196 VanDerWaalsContact C-N 3.3Å; T194-D196 PolarHBondContact O-N 3.07Å
197	T	97.8	Very high	97.6	Very high	76 Å²	76	59 Å²	59	47%	0.466	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128.9	177.4	-62.8	0	0	0	0	111.1	H100 T193 T194 E195 I199	H100-T197 PolarHBondContact O-OG1 2.97Å; T193-T197 CarbonylContact C-O 3.57Å; T193-T197 WeakPolarHBondContact CA-O 3.26Å; T193-T197 WeakPolarHBondContact CB-O 3.36Å; T194-T197 PolarHBondContact N-O 3.16Å; T194-T197 WeakPolarHBondContact O-CB 3.44Å; T194-T197 PolarHBondContact O-N 3.13Å; E195-T197 PolarHBondContact O-N 3Å; T197-I199 PolarHBondContact O-N 3.08Å
198	P	98	Very high	97.8	Very high	16 Å²	16	56.5 Å²	56.5	10%	0.104	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	131.7	174.7	-28	38.3	0	0	0	112.6	F99 I102 V191 K200	F99-P198 WeakPolarHBondContact O-CG 3.34Å; I102-P198 HydrophobicContact CB-CG 4.12Å; I102-P198 HydrophobicContact CD1-CG 3.52Å; I102-P198 HydrophobicContact CG1-CG 3.67Å; V191-P198 HydrophobicContact CG2-CB 4Å; V191-P198 HydrophobicContact CG2-CG 4.27Å; P198-K200 VanDerWaalsContact C-N 3.34Å; P198-K200 WeakPolarHBondContact CB-O 3.41Å
199	I	98	Very high	97.8	Very high	97 Å²	97	59.6 Å²	59.6	50%	0.497	33%	0.325	S	S	.	.	S	Bend	trans	-67.4	-41.4	175.7	-63.3	179.4	0	0	0	110	E192 T197	E192-I199 HydrophobicContact CB-CD1 3.81Å; E192-I199 HydrophobicContact CB-CG1 4.35Å; E192-I199 PolarHBondContact O-N 2.89Å; T197-I199 PolarHBondContact O-N 3.08Å
200	K	96.9	Very high	97.6	Very high	105 Å²	105	58.5 Å²	58.5	46%	0.457	32%	0.32	S	S	.	.	S	Bend	trans	-94.1	138.5	176.1	-68.3	177.7	170.2	-142.5	0	110	D51 P198 C202	D51-K200 HydrophobicContact CB-CB 4.12Å; D51-K200 HydrophobicContact CB-CD 3.95Å; D51-K200 HydrophobicContact CB-CG 4.33Å; D51-K200 WeakPolarHBondContact OD2-CD 3.36Å; D51-K200 VanDerWaalsContact OD2-CE 3.3Å; D51-K200 WeakPolarHBondContact OD2-CE 3.46Å; D51-K200 IonicContact OD2-NZ 3.36Å; D51-K200 PolarHBondContact OD2-NZ 3.15Å; P198-K200 VanDerWaalsContact C-N 3.34Å; P198-K200 WeakPolarHBondContact CB-O 3.41Å; K200-C202 PolarHBondContact O-N 3.16Å; K200-C202 PolarHBondContact O-SG 3.41Å; K200-C202 VanDerWaalsContact O-SG 3.41Å
201	P	97.4	Very high	97.5	Very high	76 Å²	76	61 Å²	61	49%	0.494	32%	0.321	S	S	.	.			trans	-56.8	126.5	177.6	-24.6	33.8	0	0	0	111.8	I50 D51 I203	I50-P201 WeakPolarHBondContact CA-O 3.41Å; D51-P201 PolarHBondContact N-O 3.25Å; P201-I203 HydrophobicContact CB-CD1 4.4Å; P201-I203 HydrophobicContact CB-CG1 4.28Å
202	C	98.6	Very high	97.1	Very high	2 Å²	2	66 Å²	66	1%	0.014	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	109.7	174.6	-65.4	0	0	0	0	108	D49 P98 F99 L188 K200	D49-C202 WeakPolarHBondContact O-CA 3.26Å; P98-C202 CarbonylContact C-O 3.5Å; P98-C202 VanDerWaalsContact CA-O 3.25Å; P98-C202 WeakPolarHBondContact CA-O 3.15Å; F99-C202 HydrophobicContact CB-CB 4.12Å; F99-C202 HydrophobicContact CD2-CB 4.25Å; F99-C202 PolarHBondContact N-O 2.82Å; L188-C202 HydrophobicContact CD2-CB 3.62Å; K200-C202 PolarHBondContact O-N 3.16Å; K200-C202 PolarHBondContact O-SG 3.41Å; K200-C202 VanDerWaalsContact O-SG 3.41Å
203	I	98.6	Very high	96.6	Very high	45 Å²	45	63.1 Å²	63.1	23%	0.231	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.6	-164.6	-52.7	-62.6	0	0	0	110.8	V48 D49 P98 P201 A205	V48-I203 WeakPolarHBondContact CA-O 3.47Å; D49-I203 PolarHBondContact N-O 2.84Å; D49-I203 PolarHBondContact O-N 2.85Å; P98-I203 HydrophobicContact CB-CD1 3.7Å; P201-I203 HydrophobicContact CB-CD1 4.4Å; P201-I203 HydrophobicContact CB-CG1 4.28Å; I203-A205 VanDerWaalsContact C-N 3.33Å; I203-A205 PolarHBondContact O-N 3.22Å; I203-A205 VanDerWaalsContact O-N 3.09Å
204	V	98.8	Very high	96.2	Very high	3 Å²	3	64 Å²	64	2%	0.018	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	89.3	160.4	-179.6	0	0	0	0	107.5	F46 D47 F94 G96 C97 F99 D206 C207	F46-V204 HydrophobicContact CB-CG1 4.09Å; F46-V204 HydrophobicContact CD1-CG1 3.49Å; F46-V204 VanDerWaalsContact CD1-CG1 3.49Å; F46-V204 HydrophobicContact CD1-CG2 4.35Å; F46-V204 HydrophobicContact CD2-CG2 4.33Å; F46-V204 HydrophobicContact CE1-CG1 4.04Å; F46-V204 HydrophobicContact CG-CG1 3.91Å; F46-V204 HydrophobicContact CG-CG2 4.18Å; D47-V204 CarbonylContact O-C 3.51Å; F94-V204 HydrophobicContact CB-CG1 4.45Å; G96-V204 WeakPolarHBondContact CA-O 3.48Å; G96-V204 PolarHBondContact N-O 3.49Å; C97-V204 PolarHBondContact O-N 3.45Å; F99-V204 HydrophobicContact CE2-CG2 3.76Å; F99-V204 HydrophobicContact CZ-CG2 3.9Å; V204-D206 WeakPolarHBondContact CG1-O 3.36Å; V204-C207 HydrophobicContact CG1-CB 3.8Å
205	A	98.3	Very high	95.6	Very high	25 Å²	25	63.9 Å²	63.9	21%	0.207	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-37.3	-174.4	0	0	0	0	0	112.3	D47 D49 K95 I203	D47-A205 PolarHBondContact O-N 3.11Å; D49-A205 HydrophobicContact CB-CB 4.09Å; D49-A205 VanDerWaalsContact CG-CB 3.4Å; D49-A205 VanDerWaalsContact OD2-CB 3.31Å; D49-A205 WeakPolarHBondContact OD2-CB 3.41Å; K95-A205 WeakPolarHBondContact CE-O 3.47Å; I203-A205 VanDerWaalsContact C-N 3.33Å; I203-A205 PolarHBondContact O-N 3.22Å; I203-A205 VanDerWaalsContact O-N 3.09Å
206	D	98.1	Very high	95.1	Very high	58 Å²	58	59.7 Å²	59.7	31%	0.31	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	157.2	168.7	-142.3	-12.5	0	0	0	111.1	D47 K95 V204	D47-D206 HydrophobicContact CB-CB 4.03Å; D47-D206 PolarHBondContact N-O 3Å; D47-D206 PolarHBondContact O-N 3.41Å; K95-D206 WeakPolarHBondContact CD-OD1 3.47Å; K95-D206 WeakPolarHBondContact CE-OD1 3.42Å; K95-D206 IonicContact NZ-OD1 3.25Å; K95-D206 PolarHBondContact NZ-OD1 2.85Å; K95-D206 IonicContact NZ-OD2 2.64Å; K95-D206 PolarHBondContact NZ-OD2 2.66Å; V204-D206 WeakPolarHBondContact CG1-O 3.36Å
207	C	98.6	Very high	94.3	Very high	9 Å²	9	58 Å²	58	6%	0.061	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	160.6	177.3	61	0	0	0	0	111.7	F45 F46 C78 H93 K95 V204	F45-C207 VanDerWaalsContact O-CA 3.27Å; F45-C207 WeakPolarHBondContact O-CA 3.37Å; F45-C207 WeakPolarHBondContact O-CB 3.11Å; F46-C207 HydrophobicContact CD1-CB 3.55Å; F46-C207 HydrophobicContact CE1-CB 3.87Å; C78-C207 CarbonylContact O-C 3.47Å; C78-C207 PolarHBondContact O-SG 3.08Å; H93-C207 VanDerWaalsContact CD2-SG 3.58Å; H93-C207 PolarHBondContact NE2-SG 3.21Å; H93-C207 VanDerWaalsContact NE2-SG 3.41Å; K95-C207 PolarHBondContact N-SG 3.42Å; V204-C207 HydrophobicContact CG1-CB 3.8Å
208	G	98.3	Very high	93.4	Very high	8 Å²	8	55.4 Å²	55.4	8%	0.082	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.8	-177.3	178.4	0	0	0	0	0	113	V44 F45 C78	V44-G208 CarbonylContact C-O 3.53Å; V44-G208 VanDerWaalsContact CA-O 3.22Å; V44-G208 WeakPolarHBondContact CA-O 3.23Å; V44-G208 VanDerWaalsContact CB-O 3.28Å; V44-G208 WeakPolarHBondContact CB-O 3.43Å; F45-G208 WeakPolarHBondContact CD1-O 3.33Å; F45-G208 PolarHBondContact N-O 3.35Å; F45-G208 PolarHBondContact O-N 3.32Å; C78-G208 WeakPolarHBondContact O-CA 3.37Å; C78-G208 PolarHBondContact O-N 3.43Å
209	E	97.9	Very high	92.7	Very high	64 Å²	64	57.3 Å²	57.3	30%	0.299	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	135.7	169.2	-168.6	170.4	177.2	0	0	109.6	R43 R75 T79	R43-E209 WeakPolarHBondContact O-CG 3.45Å; R75-E209 HydrophobicContact CG-CG 4.41Å; R75-E209 IonicContact CZ-OE2 2.78Å; R75-E209 IonicContact NH1-OE2 2.7Å; R75-E209 PolarHBondContact NH1-OE2 3.38Å; T79-E209 HydrophobicContact CG2-CB 3.84Å
210	H	95.8	Very high	92	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.028	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	114.4	178.4	178.8	78.5	0	0	0	109	R43 F45 V59 D214 S215 W216	R43-H210 HydrophobicContact CB-CB 4Å; R43-H210 PolarHBondContact O-N 3.05Å; F45-H210 HydrophobicContact CD1-CB 4.24Å; V59-H210 HydrophobicContact CG1-CB 4.42Å; H210-D214 PolarHBondContact CE1-O 3.46Å; H210-S215 PolarHBondContact CE1-O 3Å; H210-W216 AromaticContact NE2-CD2 3.98Å; H210-W216 AromaticContact NE2-CE3 3.63Å; H210-W216 AromaticContact NE2-CZ3 3.72Å
211	K	93.1	Very high	91.4	Very high	131 Å²	131	56 Å²	56	57%	0.57	33%	0.332	S	S	*	.			trans	-95.8	162.4	-174.2	-62	-179.5	-179.7	178.8	0	112	G213 D214	K211-G213 PolarHBondContact O-N 3.48Å; K211-D214 WeakPolarHBondContact CB-OD2 3.4Å; K211-D214 PolarHBondContact N-OD2 3.46Å; K211-D214 VanDerWaalsContact O-CB 3.28Å; K211-D214 WeakPolarHBondContact O-CB 3.35Å; K211-D214 PolarHBondContact O-N 2.97Å
212	D	88.8	Confident	90.7	Very high	132 Å²	132	56.1 Å²	56.1	71%	0.706	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	130.3	171	-77.3	-45.8	0	0	0	112	R43 D214	R43-D212 IonicContact CZ-OD1 3.83Å; R43-D212 IonicContact NH1-OD1 3.71Å; R43-D212 PolarHBondContact NH1-OD1 3.26Å; R43-D212 IonicContact NH2-OD1 3.36Å; R43-D212 PolarHBondContact NH2-OD1 3.01Å; R43-D212 IonicContact NH2-OD2 3.7Å; R43-D212 PolarHBondContact NH2-OD2 3.47Å; D212-D214 VanDerWaalsContact C-N 3.3Å
213	G	87.8	Confident	90.1	Very high	85 Å²	85	59.7 Å²	59.7	88%	0.876	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-8.5	-176.2	0	0	0	0	0	114.6	K211	K211-G213 PolarHBondContact O-N 3.48Å
214	D	87.5	Confident	89.7	Confident	76 Å²	76	59.1 Å²	59.1	41%	0.406	36%	0.364	S	S	.	.			trans	-65.5	146.5	170.5	-72.8	-15.9	0	0	0	110.2	H210 K211 D212 W216	H210-D214 PolarHBondContact CE1-O 3.46Å; K211-D214 WeakPolarHBondContact CB-OD2 3.4Å; K211-D214 PolarHBondContact N-OD2 3.46Å; K211-D214 VanDerWaalsContact O-CB 3.28Å; K211-D214 WeakPolarHBondContact O-CB 3.35Å; K211-D214 PolarHBondContact O-N 2.97Å; D212-D214 VanDerWaalsContact C-N 3.3Å; D214-W216 PolarHBondContact O-N 3.4Å
215	S	85.8	Confident	89.3	Confident	84 Å²	84	62.4 Å²	62.4	59%	0.587	40%	0.398	S	S	*	.			trans	-62.4	134.7	169.7	175.8	0	0	0	0	110	H210 G217	H210-S215 PolarHBondContact CE1-O 3Å; S215-G217 PolarHBondContact O-N 2.95Å; S215-G217 PolarHBondContact OG-N 3.42Å
216	W	85.9	Confident	89	Confident	97 Å²	97	61.5 Å²	61.5	37%	0.367	39%	0.39	S	S	.	.			trans	-59.5	-15.7	172.5	-67.2	105	0	0	0	113	R57 V59 L179 K180 H210 D214 A218	R57-W216 WeakPolarHBondContact CD-O 3.44Å; V59-W216 HydrophobicContact CB-CE3 4.37Å; V59-W216 HydrophobicContact CB-CZ3 4.47Å; V59-W216 HydrophobicContact CG1-CE3 4.13Å; V59-W216 HydrophobicContact CG1-CZ3 3.88Å; V59-W216 HydrophobicContact CG2-CE3 4.23Å; L179-W216 HydrophobicContact CD1-CZ3 4.37Å; K180-W216 HydrophobicContact CG-CD2 4.22Å; K180-W216 HydrophobicContact CG-CE3 3.71Å; K180-W216 HydrophobicContact CG-CZ3 4.19Å; H210-W216 AromaticContact NE2-CD2 3.98Å; H210-W216 AromaticContact NE2-CE3 3.63Å; H210-W216 AromaticContact NE2-CZ3 3.72Å; D214-W216 PolarHBondContact O-N 3.4Å; W216-A218 HydrophobicContact CB-CB 4.36Å; W216-A218 PolarHBondContact O-N 3.15Å; W216-A218 VanDerWaalsContact O-N 3.15Å
217	G	81.5	Confident	88.7	Confident	22 Å²	22	62.3 Å²	62.3	23%	0.227	41%	0.405	C	S	.	.			trans	59.8	23.6	-177.4	0	0	0	0	0	112.9	S215	S215-G217 PolarHBondContact O-N 2.95Å; S215-G217 PolarHBondContact OG-N 3.42Å
218	A	78.1	Confident	88.5	Confident	23 Å²	23	63.5 Å²	63.5	19%	0.19	41%	0.41	C	S	.	.			trans	-76	-27.9	-178.2	0	0	0	0	0	111.8	W216 P229 D230 D234	W216-A218 HydrophobicContact CB-CB 4.36Å; W216-A218 PolarHBondContact O-N 3.15Å; W216-A218 VanDerWaalsContact O-N 3.15Å; A218-P229 HydrophobicContact CB-CB 4.03Å; A218-P229 HydrophobicContact CB-CG 3.96Å; A218-P229 WeakPolarHBondContact O-CA 3.28Å; A218-D230 PolarHBondContact O-N 2.99Å; A218-D234 HydrophobicContact CB-CB 4.45Å
219	T	84.3	Confident	88.2	Confident	56 Å²	56	63.8 Å²	63.8	34%	0.344	41%	0.41	S	S	.	.	S	Bend	trans	-81.8	142.9	176.7	56	0	0	0	0	111.1	D221 A227	T219-D221 PolarHBondContact O-N 2.97Å; T219-A227 VanDerWaalsContact CG2-C 3.5Å; T219-A227 VanDerWaalsContact CG2-O 3.28Å; T219-A227 WeakPolarHBondContact CG2-O 3.45Å
220	P	83.3	Confident	87.8	Confident	21 Å²	21	62.8 Å²	62.8	14%	0.136	41%	0.407	C	S	.	.			trans	-58	132.5	175.4	-24.3	33.8	0	0	0	112.7	D222 D226 H228 D230	P220-D222 HydrophobicContact CB-CB 4.38Å; P220-D226 HydrophobicContact CG-CB 4.43Å; P220-H228 VanDerWaalsContact CD-O 3.22Å; P220-H228 WeakPolarHBondContact CD-O 3.41Å; P220-D230 WeakPolarHBondContact CG-OD1 3.38Å
221	D	82.5	Confident	87.5	Confident	153 Å²	153	63.6 Å²	63.6	82%	0.818	41%	0.41	S	S	*	.			trans	-99.6	61.9	166.4	-171.4	22.7	0	0	0	109.8	T219	T219-D221 PolarHBondContact O-N 2.97Å
222	D	83.2	Confident	87.5	Confident	79 Å²	79	57.4 Å²	57.4	42%	0.422	38%	0.384	S	S	.	.	S	Bend	trans	-109.8	8.8	-177.5	61.6	1.9	0	0	0	112.5	P220 T224 K271	P220-D222 HydrophobicContact CB-CB 4.38Å; D222-T224 HydrophobicContact CB-CG2 4.3Å; D222-T224 VanDerWaalsContact CG-CG2 3.45Å; D222-T224 PolarHBondContact O-N 3.3Å; D222-T224 WeakPolarHBondContact OD1-CB 3.45Å; D222-T224 VanDerWaalsContact OD1-CG2 3.3Å; D222-T224 WeakPolarHBondContact OD1-CG2 3.47Å; D222-T224 PolarHBondContact OD1-N 3.11Å; D222-T224 VanDerWaalsContact OD1-N 3.13Å; D222-T224 PolarHBondContact OD1-OG1 3.13Å; D222-K271 IonicContact OD1-NZ 2.89Å; D222-K271 VanDerWaalsContact OD2-CE 3.3Å; D222-K271 WeakPolarHBondContact OD2-CE 3.18Å; D222-K271 IonicContact OD2-NZ 2.66Å; D222-K271 PolarHBondContact OD2-NZ 3.32Å
223	G	86.4	Confident	87.5	Confident	76 Å²	76	54.9 Å²	54.9	78%	0.784	37%	0.368	S	S	*	.	S	Bend	trans	72.4	6.1	-179.2	0	0	0	0	0	114.6	G225	G223-G225 VanDerWaalsContact C-N 3.32Å
224	T	89.9	Confident	87.6	Confident	33 Å²	33	51.6 Å²	51.6	20%	0.202	33%	0.33	C	S	.	.	S	Bend	trans	-84.6	-6.9	-177.1	77.8	0	0	0	0	113.7	D222 D226 I255 M259 K271	D222-T224 HydrophobicContact CB-CG2 4.3Å; D222-T224 VanDerWaalsContact CG-CG2 3.45Å; D222-T224 PolarHBondContact O-N 3.3Å; D222-T224 WeakPolarHBondContact OD1-CB 3.45Å; D222-T224 VanDerWaalsContact OD1-CG2 3.3Å; D222-T224 WeakPolarHBondContact OD1-CG2 3.47Å; D222-T224 PolarHBondContact OD1-N 3.11Å; D222-T224 VanDerWaalsContact OD1-N 3.13Å; D222-T224 PolarHBondContact OD1-OG1 3.13Å; T224-D226 PolarHBondContact O-N 3.43Å; T224-D226 WeakPolarHBondContact OG1-CB 3.43Å; T224-I255 HydrophobicContact CG2-CG2 4.31Å; T224-M259 HydrophobicContact CG2-CE 3.33Å; T224-M259 HydrophobicContact CG2-SD 4.47Å; T224-K271 WeakPolarHBondContact OG1-CE 3.46Å; T224-K271 PolarHBondContact OG1-NZ 3.03Å
225	G	90.4	Very high	87.7	Confident	72 Å²	72	49 Å²	49	74%	0.742	32%	0.318	S	S	*	.			trans	70	21.1	-173.3	0	0	0	0	0	113.5	G223 A227	G223-G225 VanDerWaalsContact C-N 3.32Å; G225-A227 PolarHBondContact O-N 3.15Å
226	D	92.9	Very high	87.9	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.032	33%	0.33	C	S	.	.			trans	-71.7	110.9	178.5	-173.9	-16.8	0	0	0	110.2	P220 T224 H228 I255 K271 K274	P220-D226 HydrophobicContact CG-CB 4.43Å; T224-D226 PolarHBondContact O-N 3.43Å; T224-D226 WeakPolarHBondContact OG1-CB 3.43Å; D226-H228 VanDerWaalsContact C-N 3.32Å; D226-H228 IonicContact OD1-CD2 3.62Å; D226-H228 PolarHBondContact OD1-N 3.03Å; D226-I255 HydrophobicContact CB-CD1 3.68Å; D226-K271 IonicContact OD2-NZ 3.58Å; D226-K271 PolarHBondContact OD2-NZ 3.3Å; D226-K274 IonicContact OD1-NZ 3.82Å; D226-K274 PolarHBondContact OD1-NZ 3.11Å; D226-K274 VanDerWaalsContact OD1-NZ 3.1Å; D226-K274 WeakPolarHBondContact OD2-CE 3.35Å; D226-K274 IonicContact OD2-NZ 3.75Å; D226-K274 PolarHBondContact OD2-NZ 3.4Å
227	A	91.7	Very high	88.2	Confident	76 Å²	76	49.1 Å²	49.1	63%	0.628	32%	0.318	S	S	*	.			trans	-89	3.8	-176.2	0	0	0	0	0	113.7	T219 G225	T219-A227 VanDerWaalsContact CG2-C 3.5Å; T219-A227 VanDerWaalsContact CG2-O 3.28Å; T219-A227 WeakPolarHBondContact CG2-O 3.45Å; G225-A227 PolarHBondContact O-N 3.15Å
228	H	93.1	Very high	88.7	Confident	34 Å²	34	52.8 Å²	52.8	16%	0.157	33%	0.333	C	S	.	.	S	Bend	trans	-104.7	142.5	-175.5	-55.2	-70	0	0	0	110.6	P220 D226 T248 V252 K274 Y278	P220-H228 VanDerWaalsContact CD-O 3.22Å; P220-H228 WeakPolarHBondContact CD-O 3.41Å; D226-H228 VanDerWaalsContact C-N 3.32Å; D226-H228 IonicContact OD1-CD2 3.62Å; D226-H228 PolarHBondContact OD1-N 3.03Å; H228-T248 HydrophobicContact CB-CG2 4.32Å; H228-T248 WeakPolarHBondContact ND1-CG2 3.31Å; H228-V252 HydrophobicContact CB-CG2 4.22Å; H228-K274 PolarHBondContact O-NZ 3.02Å; H228-Y278 HydrophobicContact CB-CE2 4.4Å
229	P	92.4	Very high	89.5	Confident	13 Å²	13	52.7 Å²	52.7	8%	0.084	33%	0.328	C	S	.	.			trans	-56.2	148.1	171.1	-31.5	38.2	0	0	0	113.8	A218 F231 D234 K274 Y278	A218-P229 HydrophobicContact CB-CB 4.03Å; A218-P229 HydrophobicContact CB-CG 3.96Å; A218-P229 WeakPolarHBondContact O-CA 3.28Å; P229-F231 WeakPolarHBondContact CB-O 3.38Å; P229-F231 PolarHBondContact O-N 2.91Å; P229-D234 HydrophobicContact CB-CB 4Å; P229-D234 HydrophobicContact CG-CB 4.47Å; P229-K274 WeakPolarHBondContact O-CE 3.13Å; P229-K274 PolarHBondContact O-NZ 3.32Å; P229-Y278 VanDerWaalsContact CD-OH 3.31Å; P229-Y278 WeakPolarHBondContact CD-OH 3.43Å; P229-Y278 WeakPolarHBondContact O-CE2 3.44Å; P229-Y278 PolarHBondContact O-OH 3.4Å
230	D	89.1	Confident	89.8	Confident	43 Å²	43	57.1 Å²	57.1	23%	0.23	34%	0.343	C	S	.	.	S	Bend	trans	-64.8	-27.5	175.9	-84.4	-32	0	0	0	113.6	A218 P220 K274 R277	A218-D230 PolarHBondContact O-N 2.99Å; P220-D230 WeakPolarHBondContact CG-OD1 3.38Å; D230-K274 IonicContact OD1-NZ 3.43Å; D230-K274 PolarHBondContact OD1-NZ 3.36Å; D230-R277 PolarHBondContact O-NE 2.94Å; D230-R277 PolarHBondContact O-NH2 2.85Å
231	F	90.8	Very high	90.4	Very high	23 Å²	23	59.8 Å²	59.8	10%	0.101	36%	0.356	C	S	.	.	S	Bend	trans	-114.5	122.8	177.1	-66.9	-76.7	0	0	0	110.2	G183 V184 M187 P229 E233 D234	G183-F231 VanDerWaalsContact CA-CD1 3.46Å; G183-F231 WeakPolarHBondContact O-CZ 3.25Å; V184-F231 HydrophobicContact CG2-CD2 4.41Å; V184-F231 HydrophobicContact CG2-CE2 3.98Å; M187-F231 HydrophobicContact CE-CE2 3.48Å; M187-F231 VanDerWaalsContact CE-CE2 3.48Å; M187-F231 HydrophobicContact CE-CZ 3.41Å; M187-F231 VanDerWaalsContact CE-CZ 3.41Å; M187-F231 HydrophobicContact CG-CZ 3.83Å; M187-F231 HydrophobicContact SD-CE2 4.35Å; M187-F231 HydrophobicContact SD-CZ 3.68Å; P229-F231 WeakPolarHBondContact CB-O 3.38Å; P229-F231 PolarHBondContact O-N 2.91Å; F231-E233 PolarHBondContact O-N 2.95Å; F231-D234 PolarHBondContact O-N 3.15Å
232	P	92	Very high	91	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.013	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-57.4	-32.3	-175.6	-19.1	26.6	0	0	0	113.3	D234 S235 F239 R277 Y278 M281	P232-D234 PolarHBondContact O-N 3.23Å; P232-D234 VanDerWaalsContact O-N 3.14Å; P232-S235 WeakPolarHBondContact O-CB 3.03Å; P232-S235 PolarHBondContact O-N 2.96Å; P232-F239 HydrophobicContact CB-CE1 3.63Å; P232-F239 HydrophobicContact CB-CE2 4.2Å; P232-F239 HydrophobicContact CB-CZ 3.26Å; P232-F239 WeakPolarHBondContact O-CE2 3.43Å; P232-F239 VanDerWaalsContact O-CZ 3.28Å; P232-F239 WeakPolarHBondContact O-CZ 3.47Å; P232-R277 VanDerWaalsContact CG-C 3.5Å; P232-R277 HydrophobicContact CG-CB 3.81Å; P232-R277 WeakPolarHBondContact CG-O 3.15Å; P232-Y278 HydrophobicContact CB-CD1 4.04Å; P232-Y278 HydrophobicContact CB-CD2 4.35Å; P232-Y278 HydrophobicContact CB-CE1 4.05Å; P232-Y278 HydrophobicContact CB-CE2 4.38Å; P232-Y278 HydrophobicContact CB-CG 4.18Å; P232-Y278 HydrophobicContact CG-CD1 4.4Å; P232-Y278 HydrophobicContact CG-CD2 3.9Å; P232-Y278 HydrophobicContact CG-CE2 4.15Å; P232-Y278 HydrophobicContact CG-CG 4.04Å; P232-M281 HydrophobicContact CB-CB 4.2Å; P232-M281 HydrophobicContact CB-CE 4.43Å; P232-M281 HydrophobicContact CB-CG 4.41Å
233	E	88.8	Confident	91.5	Very high	79 Å²	79	55.2 Å²	55.2	37%	0.369	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-62.2	-20.6	179	-56.4	94.1	144.5	0	0	113.6	K186 F231 S235 M281	K186-E233 IonicContact NZ-OE1 3.98Å; F231-E233 PolarHBondContact O-N 2.95Å; E233-S235 VanDerWaalsContact C-N 3.34Å; E233-M281 VanDerWaalsContact CD-CE 3.46Å; E233-M281 HydrophobicContact CG-CE 3.54Å
234	D	89.6	Confident	92	Very high	16 Å²	16	56.8 Å²	56.8	9%	0.086	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-88.7	-5.1	176.8	-69.1	-43	0	0	0	112.7	K180 G181 A218 P229 F231 P232	K180-D234 VanDerWaalsContact CA-OD1 3.25Å; K180-D234 WeakPolarHBondContact CA-OD1 3.48Å; K180-D234 HydrophobicContact CD-CB 4.03Å; K180-D234 VanDerWaalsContact CD-OD1 3.32Å; K180-D234 WeakPolarHBondContact CD-OD1 3.5Å; K180-D234 PolarHBondContact NZ-O 2.92Å; G181-D234 VanDerWaalsContact CA-OD2 3.3Å; G181-D234 WeakPolarHBondContact CA-OD2 3.43Å; G181-D234 VanDerWaalsContact N-CG 3.32Å; G181-D234 PolarHBondContact N-OD1 3.45Å; G181-D234 VanDerWaalsContact N-OD1 3.07Å; G181-D234 PolarHBondContact N-OD2 3.09Å; A218-D234 HydrophobicContact CB-CB 4.45Å; P229-D234 HydrophobicContact CB-CB 4Å; P229-D234 HydrophobicContact CG-CB 4.47Å; F231-D234 PolarHBondContact O-N 3.15Å; P232-D234 PolarHBondContact O-N 3.23Å; P232-D234 VanDerWaalsContact O-N 3.14Å
235	S	91	Very high	92.4	Very high	21 Å²	21	55.2 Å²	55.2	15%	0.147	31%	0.307	C	S	.	.	S	Bend	trans	-86.2	150.5	179.9	-163.8	0	0	0	0	112.5	P232 E233 I237	P232-S235 WeakPolarHBondContact O-CB 3.03Å; P232-S235 PolarHBondContact O-N 2.96Å; E233-S235 VanDerWaalsContact C-N 3.34Å; S235-I237 PolarHBondContact O-N 3.45Å; S235-I237 WeakPolarHBondContact OG-CG1 3.36Å
236	D	88.7	Confident	92.7	Very high	159 Å²	159	53.2 Å²	53.2	85%	0.85	28%	0.28	S	S	*	.			trans	-84.3	11	174.5	-55.9	-38.8	0	0	0	113
237	I	92.2	Very high	92.9	Very high	24 Å²	24	55.6 Å²	55.6	12%	0.123	30%	0.298	C	S	.	.			trans	-72.5	133.2	178.6	-68	176.6	0	0	0	109.6	S235 F239 K244 V245 T248 Y278	S235-I237 PolarHBondContact O-N 3.45Å; S235-I237 WeakPolarHBondContact OG-CG1 3.36Å; I237-F239 HydrophobicContact CB-CZ 4.41Å; I237-F239 WeakPolarHBondContact O-CD2 3.22Å; I237-F239 PolarHBondContact O-N 2.85Å; I237-K244 HydrophobicContact CG1-CG 4.43Å; I237-K244 HydrophobicContact CG2-CG 4.18Å; I237-V245 HydrophobicContact CG2-CG2 3.71Å; I237-T248 HydrophobicContact CD1-CG2 3.75Å; I237-T248 WeakPolarHBondContact CD1-OG1 3.03Å; I237-Y278 HydrophobicContact CD1-CD1 4.34Å; I237-Y278 HydrophobicContact CD1-CE1 3.93Å
238	D	92.9	Very high	93.2	Very high	100 Å²	100	52 Å²	52	54%	0.535	27%	0.268	S	S	.	.			trans	-74.9	109.3	163	-174.9	-5	0	0	0	108.9	K240 D241	D238-K240 PolarHBondContact O-N 3.35Å; D238-K240 VanDerWaalsContact O-N 3.11Å; D238-K240 WeakPolarHBondContact OD1-CB 3.39Å; D238-K240 PolarHBondContact OD1-N 3.01Å; D238-D241 WeakPolarHBondContact O-CB 3.45Å; D238-D241 PolarHBondContact O-N 3.09Å
239	F	93.8	Very high	93.5	Very high	21 Å²	21	50.4 Å²	50.4	9%	0.092	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-2.7	-178.8	-72.2	-81.1	0	0	0	114.2	P232 I237 V245 Y278 M281 S282 L285	P232-F239 HydrophobicContact CB-CE1 3.63Å; P232-F239 HydrophobicContact CB-CE2 4.2Å; P232-F239 HydrophobicContact CB-CZ 3.26Å; P232-F239 WeakPolarHBondContact O-CE2 3.43Å; P232-F239 VanDerWaalsContact O-CZ 3.28Å; P232-F239 WeakPolarHBondContact O-CZ 3.47Å; I237-F239 HydrophobicContact CB-CZ 4.41Å; I237-F239 WeakPolarHBondContact O-CD2 3.22Å; I237-F239 PolarHBondContact O-N 2.85Å; F239-V245 HydrophobicContact CD1-CG2 3.81Å; F239-V245 HydrophobicContact CE1-CG2 4.37Å; F239-Y278 AromaticContact CE1-CD1 3.79Å; F239-Y278 HydrophobicContact CE1-CD1 3.79Å; F239-Y278 HydrophobicContact CE1-CE1 4.29Å; F239-Y278 HydrophobicContact CZ-CD1 4.08Å; F239-Y278 HydrophobicContact CZ-CE1 4.11Å; F239-M281 HydrophobicContact CB-CG 4.06Å; F239-M281 HydrophobicContact CD1-CB 3.52Å; F239-M281 HydrophobicContact CD1-CG 3.39Å; F239-M281 HydrophobicContact CD2-CG 3.66Å; F239-M281 HydrophobicContact CE1-CB 3.68Å; F239-M281 HydrophobicContact CE1-CG 3.68Å; F239-M281 HydrophobicContact CE2-CG 3.94Å; F239-M281 HydrophobicContact CG-CB 4.07Å; F239-M281 HydrophobicContact CG-CG 3.39Å; F239-M281 HydrophobicContact CZ-CB 4.35Å; F239-M281 HydrophobicContact CZ-CG 3.98Å; F239-S282 WeakPolarHBondContact O-CB 3.36Å; F239-S282 PolarHBondContact O-OG 3.45Å; F239-L285 HydrophobicContact CB-CD1 3.64Å
240	K	91.6	Very high	93.8	Very high	149 Å²	149	52.2 Å²	52.2	65%	0.648	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-17.5	167.1	-61.3	-179.9	179.9	-178.8	0	112.6	D238 L242	D238-K240 PolarHBondContact O-N 3.35Å; D238-K240 VanDerWaalsContact O-N 3.11Å; D238-K240 WeakPolarHBondContact OD1-CB 3.39Å; D238-K240 PolarHBondContact OD1-N 3.01Å; K240-L242 PolarHBondContact O-N 3.45Å
241	D	94.9	Very high	94.2	Very high	76 Å²	76	53.8 Å²	53.8	41%	0.406	28%	0.276	S	S	.	.			trans	-83.3	87.9	171.6	-174.4	-17.9	0	0	0	109.7	D238 D243 K244 V245	D238-D241 WeakPolarHBondContact O-CB 3.45Å; D238-D241 PolarHBondContact O-N 3.09Å; D241-D243 VanDerWaalsContact C-N 3.27Å; D241-D243 PolarHBondContact O-N 3.36Å; D241-D243 PolarHBondContact OD1-N 3.38Å; D241-K244 HydrophobicContact CB-CB 4.02Å; D241-K244 VanDerWaalsContact CG-CB 3.47Å; D241-K244 PolarHBondContact O-N 3.44Å; D241-K244 PolarHBondContact OD1-N 3.38Å; D241-V245 VanDerWaalsContact O-CG2 3.3Å; D241-V245 WeakPolarHBondContact O-CG2 3.5Å; D241-V245 PolarHBondContact O-N 3.26Å
242	L	95.1	Very high	94.5	Very high	9 Å²	9	52.7 Å²	52.7	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-64.7	-31.7	-175.6	-53.9	-177.9	0	0	0	112.9	K240 K244 V245 V246 V286 E291 K294 L295	K240-L242 PolarHBondContact O-N 3.45Å; L242-K244 VanDerWaalsContact C-N 3.33Å; L242-V245 PolarHBondContact O-N 3.36Å; L242-V246 WeakPolarHBondContact O-CB 3.4Å; L242-V246 VanDerWaalsContact O-CG2 3.24Å; L242-V246 WeakPolarHBondContact O-CG2 3.39Å; L242-V246 PolarHBondContact O-N 3.34Å; L242-V286 HydrophobicContact CD1-CG2 4.06Å; L242-V286 HydrophobicContact CD2-CG2 3.59Å; L242-V286 HydrophobicContact CG-CG2 4.33Å; L242-E291 HydrophobicContact CD1-CB 3.64Å; L242-E291 HydrophobicContact CD1-CG 4.15Å; L242-K294 HydrophobicContact CD1-CD 4.36Å; L242-L295 HydrophobicContact CD2-CD2 4.28Å
243	D	95.2	Very high	94.9	Very high	127 Å²	127	53.4 Å²	53.4	68%	0.679	27%	0.274	S	S	*	.	H	α-helix	trans	-66	-41.8	177.3	-69.5	-25.6	0	0	0	110	D241 S247	D241-D243 VanDerWaalsContact C-N 3.27Å; D241-D243 PolarHBondContact O-N 3.36Å; D241-D243 PolarHBondContact OD1-N 3.38Å; D243-S247 VanDerWaalsContact O-CB 3.27Å; D243-S247 WeakPolarHBondContact O-CB 3.39Å; D243-S247 PolarHBondContact O-N 2.65Å
244	K	96.4	Very high	95.3	Very high	109 Å²	109	53.3 Å²	53.3	47%	0.474	28%	0.276	S	S	.	.	H	α-helix	trans	-66.7	-39.8	176.2	-171.3	62.2	176.6	178.4	0	112.5	I237 D241 L242 T248	I237-K244 HydrophobicContact CG1-CG 4.43Å; I237-K244 HydrophobicContact CG2-CG 4.18Å; D241-K244 HydrophobicContact CB-CB 4.02Å; D241-K244 VanDerWaalsContact CG-CB 3.47Å; D241-K244 PolarHBondContact O-N 3.44Å; D241-K244 PolarHBondContact OD1-N 3.38Å; L242-K244 VanDerWaalsContact C-N 3.33Å; K244-T248 WeakPolarHBondContact O-CB 3.27Å; K244-T248 PolarHBondContact O-N 3Å; K244-T248 PolarHBondContact O-OG1 3.21Å
245	V	97.2	Very high	95.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.6	-47.4	179	172.4	0	0	0	0	110.8	I237 F239 D241 L242 S247 T248 A249 Y278 L279 S282	I237-V245 HydrophobicContact CG2-CG2 3.71Å; F239-V245 HydrophobicContact CD1-CG2 3.81Å; F239-V245 HydrophobicContact CE1-CG2 4.37Å; D241-V245 VanDerWaalsContact O-CG2 3.3Å; D241-V245 WeakPolarHBondContact O-CG2 3.5Å; D241-V245 PolarHBondContact O-N 3.26Å; L242-V245 PolarHBondContact O-N 3.36Å; V245-S247 PolarHBondContact O-N 2.85Å; V245-T248 WeakPolarHBondContact O-CB 3.47Å; V245-T248 PolarHBondContact O-N 2.84Å; V245-A249 WeakPolarHBondContact O-CB 3.41Å; V245-A249 PolarHBondContact O-N 3.03Å; V245-Y278 WeakPolarHBondContact CG1-O 3.46Å; V245-L279 HydrophobicContact CG1-CD2 4.34Å; V245-S282 WeakPolarHBondContact CG1-OG 3.32Å; V245-S282 VanDerWaalsContact CG2-OG 3.26Å; V245-S282 WeakPolarHBondContact CG2-OG 3.4Å
246	V	97.7	Very high	96.1	Very high	30 Å²	30	52.9 Å²	52.9	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-44.3	176.4	170.8	0	0	0	0	110.6	L242 T248 A249 E250 L279 L295	L242-V246 WeakPolarHBondContact O-CB 3.4Å; L242-V246 VanDerWaalsContact O-CG2 3.24Å; L242-V246 WeakPolarHBondContact O-CG2 3.39Å; L242-V246 PolarHBondContact O-N 3.34Å; V246-T248 VanDerWaalsContact C-N 3.29Å; V246-T248 PolarHBondContact O-N 2.94Å; V246-A249 PolarHBondContact O-N 2.86Å; V246-E250 HydrophobicContact CG1-CG 4.35Å; V246-E250 WeakPolarHBondContact O-CB 3.42Å; V246-E250 WeakPolarHBondContact O-CG 3.49Å; V246-E250 PolarHBondContact O-N 3.23Å; V246-L279 HydrophobicContact CG2-CD2 4.2Å; V246-L295 HydrophobicContact CG2-CD2 3.68Å
247	S	97.6	Very high	96.5	Very high	57 Å²	57	47.2 Å²	47.2	40%	0.399	24%	0.242	S	C	.	.	H	α-helix	trans	-56.8	-44	174.9	-176.4	0	0	0	0	111.7	D243 V245 E250 D251	D243-S247 VanDerWaalsContact O-CB 3.27Å; D243-S247 WeakPolarHBondContact O-CB 3.39Å; D243-S247 PolarHBondContact O-N 2.65Å; V245-S247 PolarHBondContact O-N 2.85Å; S247-E250 PolarHBondContact O-N 3.35Å; S247-D251 VanDerWaalsContact O-CG 3.27Å; S247-D251 PolarHBondContact O-N 2.84Å
248	T	97.7	Very high	96.8	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-65.9	-43.8	178.7	-61.2	0	0	0	0	111.8	H228 I237 K244 V245 V246 E250 D251 V252 Y278	H228-T248 HydrophobicContact CB-CG2 4.32Å; H228-T248 WeakPolarHBondContact ND1-CG2 3.31Å; I237-T248 HydrophobicContact CD1-CG2 3.75Å; I237-T248 WeakPolarHBondContact CD1-OG1 3.03Å; K244-T248 WeakPolarHBondContact O-CB 3.27Å; K244-T248 PolarHBondContact O-N 3Å; K244-T248 PolarHBondContact O-OG1 3.21Å; V245-T248 WeakPolarHBondContact O-CB 3.47Å; V245-T248 PolarHBondContact O-N 2.84Å; V246-T248 VanDerWaalsContact C-N 3.29Å; V246-T248 PolarHBondContact O-N 2.94Å; T248-E250 VanDerWaalsContact C-N 3.32Å; T248-E250 PolarHBondContact O-N 2.82Å; T248-D251 PolarHBondContact O-N 2.93Å; T248-V252 WeakPolarHBondContact O-CG2 3.49Å; T248-V252 PolarHBondContact O-N 3.01Å; T248-Y278 HydrophobicContact CG2-CD1 3.75Å; T248-Y278 HydrophobicContact CG2-CE1 3.78Å; T248-Y278 HydrophobicContact CG2-CG 4.21Å
249	A	98.3	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-38.5	176.3	0	0	0	0	0	111.8	V245 V246 K253 A275 L279 T298	V245-A249 WeakPolarHBondContact O-CB 3.41Å; V245-A249 PolarHBondContact O-N 3.03Å; V246-A249 PolarHBondContact O-N 2.86Å; A249-K253 WeakPolarHBondContact O-CB 3.35Å; A249-K253 PolarHBondContact O-N 2.87Å; A249-A275 HydrophobicContact CB-CB 4.24Å; A249-A275 WeakPolarHBondContact O-CB 3.37Å; A249-L279 HydrophobicContact CB-CD1 4.25Å; A249-L279 HydrophobicContact CB-CD2 3.67Å; A249-L279 HydrophobicContact CB-CG 3.78Å; A249-T298 HydrophobicContact CB-CG2 4.01Å
250	E	98.5	Very high	97.3	Very high	51 Å²	51	48 Å²	48	24%	0.238	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-43	173.8	-77.4	-65.9	139.9	0	0	112.2	V246 S247 T248 K253 N254 T298	V246-E250 HydrophobicContact CG1-CG 4.35Å; V246-E250 WeakPolarHBondContact O-CB 3.42Å; V246-E250 WeakPolarHBondContact O-CG 3.49Å; V246-E250 PolarHBondContact O-N 3.23Å; S247-E250 PolarHBondContact O-N 3.35Å; T248-E250 VanDerWaalsContact C-N 3.32Å; T248-E250 PolarHBondContact O-N 2.82Å; E250-K253 PolarHBondContact O-N 2.97Å; E250-K253 WeakPolarHBondContact OE1-CE 3.43Å; E250-K253 IonicContact OE1-NZ 3.38Å; E250-K253 PolarHBondContact OE1-NZ 3.4Å; E250-K253 WeakPolarHBondContact OE2-CE 3.4Å; E250-K253 IonicContact OE2-NZ 3.88Å; E250-K253 PolarHBondContact OE2-NZ 3.26Å; E250-N254 WeakPolarHBondContact O-CB 3.32Å; E250-N254 PolarHBondContact O-N 3.14Å; E250-N254 PolarHBondContact O-ND2 3.3Å; E250-T298 HydrophobicContact CG-CG2 4.24Å; E250-T298 WeakPolarHBondContact OE1-CB 3.39Å; E250-T298 WeakPolarHBondContact OE1-CG2 3.48Å; E250-T298 PolarHBondContact OE1-OG1 3.12Å
251	D	98	Very high	97.6	Very high	75 Å²	75	48.7 Å²	48.7	40%	0.401	25%	0.249	S	C	.	.	H	α-helix	trans	-59.2	-50.2	176.1	-71.8	-21.4	0	0	0	110.8	S247 T248 K253 N254 I255	S247-D251 VanDerWaalsContact O-CG 3.27Å; S247-D251 PolarHBondContact O-N 2.84Å; T248-D251 PolarHBondContact O-N 2.93Å; D251-K253 PolarHBondContact O-N 3Å; D251-N254 WeakPolarHBondContact O-CB 3.43Å; D251-N254 PolarHBondContact O-N 3.1Å; D251-I255 WeakPolarHBondContact O-CG1 3.35Å; D251-I255 PolarHBondContact O-N 3.31Å; D251-I255 VanDerWaalsContact O-N 3.15Å
252	V	98.3	Very high	97.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-42.8	176.5	176.9	0	0	0	0	111.6	H228 T248 N254 I255 G256 K271 K274 A275	H228-V252 HydrophobicContact CB-CG2 4.22Å; T248-V252 WeakPolarHBondContact O-CG2 3.49Å; T248-V252 PolarHBondContact O-N 3.01Å; V252-N254 VanDerWaalsContact C-N 3.27Å; V252-N254 PolarHBondContact O-N 2.85Å; V252-I255 WeakPolarHBondContact O-CB 3.41Å; V252-I255 PolarHBondContact O-N 2.87Å; V252-G256 PolarHBondContact O-N 3.15Å; V252-K271 HydrophobicContact CG1-CB 4.25Å; V252-K271 HydrophobicContact CG1-CD 4.42Å; V252-K271 VanDerWaalsContact CG1-O 3.25Å; V252-K271 WeakPolarHBondContact CG1-O 3.19Å; V252-K274 HydrophobicContact CG1-CB 3.92Å; V252-K274 HydrophobicContact CG1-CD 3.78Å; V252-K274 HydrophobicContact CG1-CG 3.87Å; V252-K274 HydrophobicContact CG2-CD 4.37Å; V252-A275 HydrophobicContact CB-CB 4.21Å; V252-A275 HydrophobicContact CG1-CB 4.12Å
253	K	98.6	Very high	97.8	Very high	18 Å²	18	56.7 Å²	56.7	8%	0.078	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-39.2	175.8	-175.9	-170	74.1	-178.7	0	111	A249 E250 D251 I255 G256 N257 Y272 A275 T298	A249-K253 WeakPolarHBondContact O-CB 3.35Å; A249-K253 PolarHBondContact O-N 2.87Å; E250-K253 PolarHBondContact O-N 2.97Å; E250-K253 WeakPolarHBondContact OE1-CE 3.43Å; E250-K253 IonicContact OE1-NZ 3.38Å; E250-K253 PolarHBondContact OE1-NZ 3.4Å; E250-K253 WeakPolarHBondContact OE2-CE 3.4Å; E250-K253 IonicContact OE2-NZ 3.88Å; E250-K253 PolarHBondContact OE2-NZ 3.26Å; D251-K253 PolarHBondContact O-N 3Å; K253-I255 VanDerWaalsContact C-N 3.33Å; K253-I255 PolarHBondContact O-N 3.5Å; K253-G256 CarbonylContact O-C 3.48Å; K253-G256 WeakPolarHBondContact O-CA 3.26Å; K253-G256 PolarHBondContact O-N 3.44Å; K253-G256 VanDerWaalsContact O-N 3.11Å; K253-N257 VanDerWaalsContact O-CG 3.3Å; K253-N257 PolarHBondContact O-N 3.47Å; K253-N257 PolarHBondContact O-ND2 3.05Å; K253-Y272 HydrophobicContact CG-CD1 3.92Å; K253-Y272 HydrophobicContact CG-CE1 3.88Å; K253-Y272 WeakPolarHBondContact O-CE1 3.33Å; K253-A275 HydrophobicContact CB-CB 4.4Å; K253-T298 HydrophobicContact CD-CG2 4.47Å
254	N	98.6	Very high	97.9	Very high	76 Å²	76	54.1 Å²	54.1	41%	0.406	27%	0.274	S	S	.	.	H	α-helix	trans	-66.2	-35.6	178.7	-74.2	-33.1	0	0	0	112.3	E250 D251 V252 G256 N257 V258	E250-N254 WeakPolarHBondContact O-CB 3.32Å; E250-N254 PolarHBondContact O-N 3.14Å; E250-N254 PolarHBondContact O-ND2 3.3Å; D251-N254 WeakPolarHBondContact O-CB 3.43Å; D251-N254 PolarHBondContact O-N 3.1Å; V252-N254 VanDerWaalsContact C-N 3.27Å; V252-N254 PolarHBondContact O-N 2.85Å; N254-G256 VanDerWaalsContact C-N 3.35Å; N254-N257 WeakPolarHBondContact O-CB 3.37Å; N254-N257 PolarHBondContact O-N 2.81Å; N254-N257 PolarHBondContact OD1-ND2 3.4Å; N254-V258 WeakPolarHBondContact O-CG2 3.32Å; N254-V258 PolarHBondContact O-N 3.47Å
255	I	98.3	Very high	98	Very high	29 Å²	29	51.1 Å²	51.1	15%	0.149	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-45	169.2	-59.9	171.1	0	0	0	110.1	T224 D226 D251 V252 K253 N257 V258 M259 K271	T224-I255 HydrophobicContact CG2-CG2 4.31Å; D226-I255 HydrophobicContact CB-CD1 3.68Å; D251-I255 WeakPolarHBondContact O-CG1 3.35Å; D251-I255 PolarHBondContact O-N 3.31Å; D251-I255 VanDerWaalsContact O-N 3.15Å; V252-I255 WeakPolarHBondContact O-CB 3.41Å; V252-I255 PolarHBondContact O-N 2.87Å; K253-I255 VanDerWaalsContact C-N 3.33Å; K253-I255 PolarHBondContact O-N 3.5Å; I255-N257 VanDerWaalsContact C-N 3.27Å; I255-N257 PolarHBondContact O-N 3.22Å; I255-V258 WeakPolarHBondContact O-CB 3.31Å; I255-V258 PolarHBondContact O-N 2.98Å; I255-M259 HydrophobicContact CG2-CE 4.45Å; I255-M259 WeakPolarHBondContact O-CG 3.38Å; I255-M259 PolarHBondContact O-N 3.06Å; I255-K271 HydrophobicContact CG2-CD 4.16Å; I255-K271 HydrophobicContact CG2-CG 4.12Å
256	G	98.1	Very high	97.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-56.3	-39.4	172.5	0	0	0	0	0	113.1	V252 K253 N254 V258 M259 F260 A268 Y272	V252-G256 PolarHBondContact O-N 3.15Å; K253-G256 CarbonylContact O-C 3.48Å; K253-G256 WeakPolarHBondContact O-CA 3.26Å; K253-G256 PolarHBondContact O-N 3.44Å; K253-G256 VanDerWaalsContact O-N 3.11Å; N254-G256 VanDerWaalsContact C-N 3.35Å; G256-V258 VanDerWaalsContact C-N 3.33Å; G256-V258 PolarHBondContact O-N 3.02Å; G256-M259 PolarHBondContact O-N 3.35Å; G256-F260 WeakPolarHBondContact O-CB 3.45Å; G256-F260 PolarHBondContact O-N 3.4Å; G256-A268 WeakPolarHBondContact O-CB 3.33Å; G256-Y272 PolarHBondContact O-OH 2.9Å
257	N	98.6	Very high	97.8	Very high	40 Å²	40	54.1 Å²	54.1	21%	0.214	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-35.2	175.8	-67	-32	0	0	0	112.1	K253 N254 I255 K261 Y272 N305	K253-N257 VanDerWaalsContact O-CG 3.3Å; K253-N257 PolarHBondContact O-N 3.47Å; K253-N257 PolarHBondContact O-ND2 3.05Å; N254-N257 WeakPolarHBondContact O-CB 3.37Å; N254-N257 PolarHBondContact O-N 2.81Å; N254-N257 PolarHBondContact OD1-ND2 3.4Å; I255-N257 VanDerWaalsContact C-N 3.27Å; I255-N257 PolarHBondContact O-N 3.22Å; N257-K261 VanDerWaalsContact O-CG 3.32Å; N257-K261 WeakPolarHBondContact O-CG 3.4Å; N257-K261 PolarHBondContact O-N 3.3Å; N257-Y272 WeakPolarHBondContact CA-OH 3.32Å; N257-Y272 PolarHBondContact N-OH 3.28Å; N257-Y272 PolarHBondContact OD1-OH 2.83Å; N257-N305 PolarHBondContact OD1-ND2 3.29Å
258	V	98.4	Very high	97.8	Very high	72 Å²	72	51.4 Å²	51.4	44%	0.436	26%	0.262	S	S	.	.	H	α-helix	trans	-65.5	-46.6	173.4	173.6	0	0	0	0	110.2	N254 I255 G256 F260 K261 N262	N254-V258 WeakPolarHBondContact O-CG2 3.32Å; N254-V258 PolarHBondContact O-N 3.47Å; I255-V258 WeakPolarHBondContact O-CB 3.31Å; I255-V258 PolarHBondContact O-N 2.98Å; G256-V258 VanDerWaalsContact C-N 3.33Å; G256-V258 PolarHBondContact O-N 3.02Å; V258-F260 VanDerWaalsContact C-N 3.31Å; V258-F260 PolarHBondContact O-N 2.97Å; V258-K261 PolarHBondContact O-N 2.98Å; V258-K261 VanDerWaalsContact O-N 3.15Å; V258-N262 PolarHBondContact O-N 3.14Å
259	M	97.5	Very high	97.8	Very high	28 Å²	28	52.1 Å²	52.1	14%	0.138	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-43.4	175.8	-63.4	-61.5	140.9	0	0	111.8	T224 I255 G256 K261 N262 Q263 D264 A267 A268	T224-M259 HydrophobicContact CG2-CE 3.33Å; T224-M259 HydrophobicContact CG2-SD 4.47Å; I255-M259 HydrophobicContact CG2-CE 4.45Å; I255-M259 WeakPolarHBondContact O-CG 3.38Å; I255-M259 PolarHBondContact O-N 3.06Å; G256-M259 PolarHBondContact O-N 3.35Å; M259-K261 PolarHBondContact O-N 3.45Å; M259-N262 CarbonylContact O-C 3.51Å; M259-N262 WeakPolarHBondContact O-CA 3.48Å; M259-N262 PolarHBondContact O-N 3.27Å; M259-N262 VanDerWaalsContact O-N 3.11Å; M259-Q263 PolarHBondContact O-N 2.92Å; M259-Q263 VanDerWaalsContact O-N 3.13Å; M259-D264 HydrophobicContact CB-CB 4.47Å; M259-D264 PolarHBondContact O-N 3.27Å; M259-A267 HydrophobicContact CB-CB 4.29Å; M259-A267 HydrophobicContact CG-CB 4.05Å; M259-A267 HydrophobicContact SD-CB 4.08Å; M259-A268 HydrophobicContact CB-CB 3.81Å
260	F	98.3	Very high	97.7	Very high	62 Å²	62	57.1 Å²	57.1	27%	0.272	29%	0.288	S	S	.	.	H	α-helix	trans	-58.2	-46.4	174.8	-173.8	-85.9	0	0	0	111.8	G256 V258 N262 Q263 W265 A268 A308 C309	G256-F260 WeakPolarHBondContact O-CB 3.45Å; G256-F260 PolarHBondContact O-N 3.4Å; V258-F260 VanDerWaalsContact C-N 3.31Å; V258-F260 PolarHBondContact O-N 2.97Å; F260-N262 PolarHBondContact O-N 2.66Å; F260-Q263 PolarHBondContact O-N 2.8Å; F260-W265 HydrophobicContact CB-CZ3 4.37Å; F260-W265 AromaticContact CD1-CZ3 3.81Å; F260-W265 HydrophobicContact CD1-CZ3 3.81Å; F260-W265 AromaticContact CD2-CE3 3.52Å; F260-W265 HydrophobicContact CD2-CE3 3.52Å; F260-W265 AromaticContact CD2-CZ3 3.44Å; F260-W265 HydrophobicContact CD2-CZ3 3.44Å; F260-W265 VanDerWaalsContact CD2-CZ3 3.44Å; F260-W265 HydrophobicContact CE1-CH2 4.48Å; F260-W265 AromaticContact CE1-CZ3 3.82Å; F260-W265 HydrophobicContact CE1-CZ3 3.82Å; F260-W265 AromaticContact CE2-CE3 3.68Å; F260-W265 HydrophobicContact CE2-CE3 3.68Å; F260-W265 AromaticContact CE2-CZ3 3.46Å; F260-W265 HydrophobicContact CE2-CZ3 3.46Å; F260-W265 VanDerWaalsContact CE2-CZ3 3.46Å; F260-W265 HydrophobicContact CG-CE3 4.05Å; F260-W265 AromaticContact CG-CZ3 3.62Å; F260-W265 HydrophobicContact CG-CZ3 3.62Å; F260-W265 HydrophobicContact CZ-CE3 4.33Å; F260-W265 HydrophobicContact CZ-CH2 4.43Å; F260-W265 AromaticContact CZ-CZ3 3.65Å; F260-W265 HydrophobicContact CZ-CZ3 3.65Å; F260-W265 WeakPolarHBondContact O-CH2 3.35Å; F260-W265 WeakPolarHBondContact O-CZ3 3.42Å; F260-A268 HydrophobicContact CB-CB 4.17Å; F260-A308 HydrophobicContact CE2-CB 4.05Å; F260-A308 HydrophobicContact CZ-CB 4.34Å; F260-C309 WeakPolarHBondContact CD2-SG 3.28Å
261	K	98.1	Very high	97.6	Very high	162 Å²	162	55.1 Å²	55.1	70%	0.704	28%	0.278	S	S	*	.	H	α-helix	trans	-62.1	-33.8	177.2	-72.9	170.5	-175.3	175.7	0	112.2	N257 V258 M259 Q263	N257-K261 VanDerWaalsContact O-CG 3.32Å; N257-K261 WeakPolarHBondContact O-CG 3.4Å; N257-K261 PolarHBondContact O-N 3.3Å; V258-K261 PolarHBondContact O-N 2.98Å; V258-K261 VanDerWaalsContact O-N 3.15Å; M259-K261 PolarHBondContact O-N 3.45Å; K261-Q263 PolarHBondContact O-N 3.14Å
262	N	97.4	Very high	97.7	Very high	114 Å²	114	51.6 Å²	51.6	61%	0.61	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	2.4	175.8	-65.5	-14.3	0	0	0	113.5	V258 M259 F260 D264	V258-N262 PolarHBondContact O-N 3.14Å; M259-N262 CarbonylContact O-C 3.51Å; M259-N262 WeakPolarHBondContact O-CA 3.48Å; M259-N262 PolarHBondContact O-N 3.27Å; M259-N262 VanDerWaalsContact O-N 3.11Å; F260-N262 PolarHBondContact O-N 2.66Å; N262-D264 PolarHBondContact O-N 3.18Å
263	Q	97.9	Very high	97.6	Very high	139 Å²	139	56.8 Å²	56.8	65%	0.65	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	17.1	-177.9	-48.6	-175.7	39.2	0	0	114.6	M259 F260 K261 W265	M259-Q263 PolarHBondContact O-N 2.92Å; M259-Q263 VanDerWaalsContact O-N 3.13Å; F260-Q263 PolarHBondContact O-N 2.8Å; K261-Q263 PolarHBondContact O-N 3.14Å; Q263-W265 VanDerWaalsContact C-N 3.31Å; Q263-W265 VanDerWaalsContact CA-CZ2 3.46Å; Q263-W265 HydrophobicContact CB-CH2 3.87Å; Q263-W265 HydrophobicContact CB-CZ2 3.37Å; Q263-W265 HydrophobicContact CG-CH2 3.74Å; Q263-W265 HydrophobicContact CG-CZ2 3.55Å; Q263-W265 PolarHBondContact O-N 2.91Å; Q263-W265 VanDerWaalsContact O-N 3.15Å; Q263-W265 PolarHBondContact O-NE1 2.9Å
264	D	97.4	Very high	97.5	Very high	74 Å²	74	56 Å²	56	40%	0.396	28%	0.278	S	S	.	.			trans	-86.7	77.9	168.7	-167.6	-19.4	0	0	0	109.3	M259 N262 T266 A267 A268	M259-D264 HydrophobicContact CB-CB 4.47Å; M259-D264 PolarHBondContact O-N 3.27Å; N262-D264 PolarHBondContact O-N 3.18Å; D264-T266 VanDerWaalsContact C-N 3.28Å; D264-T266 PolarHBondContact O-N 3.09Å; D264-A267 HydrophobicContact CB-CB 4.2Å; D264-A267 VanDerWaalsContact OD1-CB 3.29Å; D264-A267 WeakPolarHBondContact OD1-CB 3.41Å; D264-A267 PolarHBondContact OD1-N 3.41Å; D264-A267 WeakPolarHBondContact OD2-CB 3.29Å; D264-A268 VanDerWaalsContact O-CB 3.3Å; D264-A268 WeakPolarHBondContact O-CB 3.36Å; D264-A268 PolarHBondContact O-N 2.8Å
265	W	98.1	Very high	97.5	Very high	45 Å²	45	52.3 Å²	52.3	17%	0.17	26%	0.259	C	S	.	.	H	α-helix	trans	-64.9	-34.4	-175.8	-41.7	118.1	0	0	0	112	F260 Q263 A268 V269 C309 K312 L313	F260-W265 HydrophobicContact CB-CZ3 4.37Å; F260-W265 AromaticContact CD1-CZ3 3.81Å; F260-W265 HydrophobicContact CD1-CZ3 3.81Å; F260-W265 AromaticContact CD2-CE3 3.52Å; F260-W265 HydrophobicContact CD2-CE3 3.52Å; F260-W265 AromaticContact CD2-CZ3 3.44Å; F260-W265 HydrophobicContact CD2-CZ3 3.44Å; F260-W265 VanDerWaalsContact CD2-CZ3 3.44Å; F260-W265 HydrophobicContact CE1-CH2 4.48Å; F260-W265 AromaticContact CE1-CZ3 3.82Å; F260-W265 HydrophobicContact CE1-CZ3 3.82Å; F260-W265 AromaticContact CE2-CE3 3.68Å; F260-W265 HydrophobicContact CE2-CE3 3.68Å; F260-W265 AromaticContact CE2-CZ3 3.46Å; F260-W265 HydrophobicContact CE2-CZ3 3.46Å; F260-W265 VanDerWaalsContact CE2-CZ3 3.46Å; F260-W265 HydrophobicContact CG-CE3 4.05Å; F260-W265 AromaticContact CG-CZ3 3.62Å; F260-W265 HydrophobicContact CG-CZ3 3.62Å; F260-W265 HydrophobicContact CZ-CE3 4.33Å; F260-W265 HydrophobicContact CZ-CH2 4.43Å; F260-W265 AromaticContact CZ-CZ3 3.65Å; F260-W265 HydrophobicContact CZ-CZ3 3.65Å; F260-W265 WeakPolarHBondContact O-CH2 3.35Å; F260-W265 WeakPolarHBondContact O-CZ3 3.42Å; Q263-W265 VanDerWaalsContact C-N 3.31Å; Q263-W265 VanDerWaalsContact CA-CZ2 3.46Å; Q263-W265 HydrophobicContact CB-CH2 3.87Å; Q263-W265 HydrophobicContact CB-CZ2 3.37Å; Q263-W265 HydrophobicContact CG-CH2 3.74Å; Q263-W265 HydrophobicContact CG-CZ2 3.55Å; Q263-W265 PolarHBondContact O-N 2.91Å; Q263-W265 VanDerWaalsContact O-N 3.15Å; Q263-W265 PolarHBondContact O-NE1 2.9Å; W265-A268 PolarHBondContact O-N 3.14Å; W265-V269 VanDerWaalsContact O-CG2 3.31Å; W265-V269 WeakPolarHBondContact O-CG2 3.49Å; W265-V269 PolarHBondContact O-N 3.1Å; W265-C309 HydrophobicContact CB-CB 4.08Å; W265-K312 HydrophobicContact CD2-CB 4.04Å; W265-K312 HydrophobicContact CD2-CG 4.25Å; W265-K312 HydrophobicContact CG-CB 4.05Å; W265-K312 HydrophobicContact CZ2-CD 4.48Å; W265-K312 HydrophobicContact CZ2-CG 4.3Å; W265-L313 HydrophobicContact CB-CD1 3.93Å; W265-L313 HydrophobicContact CB-CD2 4.02Å; W265-L313 HydrophobicContact CB-CG 3.81Å; W265-L313 HydrophobicContact CG-CD2 4.41Å; W265-L313 HydrophobicContact CG-CG 4.41Å
266	T	95.7	Very high	97.5	Very high	70 Å²	70	51.4 Å²	51.4	43%	0.429	25%	0.254	S	S	.	.	H	α-helix	trans	-69.1	-48.3	-179.7	-56.2	0	0	0	0	110.6	D264 A268 V269 K270	D264-T266 VanDerWaalsContact C-N 3.28Å; D264-T266 PolarHBondContact O-N 3.09Å; T266-A268 VanDerWaalsContact C-N 3.31Å; T266-A268 PolarHBondContact O-N 2.95Å; T266-V269 PolarHBondContact O-N 2.89Å; T266-K270 PolarHBondContact O-N 3.16Å; T266-K270 VanDerWaalsContact O-N 3.08Å
267	A	94.6	Very high	97.4	Very high	24 Å²	24	55 Å²	55	20%	0.198	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-37.8	175.2	0	0	0	0	0	111.8	M259 D264 V269 K270 K271	M259-A267 HydrophobicContact CB-CB 4.29Å; M259-A267 HydrophobicContact CG-CB 4.05Å; M259-A267 HydrophobicContact SD-CB 4.08Å; D264-A267 HydrophobicContact CB-CB 4.2Å; D264-A267 VanDerWaalsContact OD1-CB 3.29Å; D264-A267 WeakPolarHBondContact OD1-CB 3.41Å; D264-A267 PolarHBondContact OD1-N 3.41Å; D264-A267 WeakPolarHBondContact OD2-CB 3.29Å; A267-V269 PolarHBondContact O-N 3.2Å; A267-K270 WeakPolarHBondContact O-CB 3.24Å; A267-K270 PolarHBondContact O-N 3.04Å; A267-K271 PolarHBondContact O-N 3.03Å; A267-K271 VanDerWaalsContact O-N 3.1Å
268	A	98.1	Very high	97.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-47.7	174.9	0	0	0	0	0	111.7	G256 M259 F260 D264 W265 T266 K270 K271 Y272	G256-A268 WeakPolarHBondContact O-CB 3.33Å; M259-A268 HydrophobicContact CB-CB 3.81Å; F260-A268 HydrophobicContact CB-CB 4.17Å; D264-A268 VanDerWaalsContact O-CB 3.3Å; D264-A268 WeakPolarHBondContact O-CB 3.36Å; D264-A268 PolarHBondContact O-N 2.8Å; W265-A268 PolarHBondContact O-N 3.14Å; T266-A268 VanDerWaalsContact C-N 3.31Å; T266-A268 PolarHBondContact O-N 2.95Å; A268-K270 VanDerWaalsContact C-N 3.33Å; A268-K270 PolarHBondContact O-N 3.11Å; A268-K271 PolarHBondContact O-N 3.05Å; A268-Y272 HydrophobicContact CB-CD2 4.48Å; A268-Y272 HydrophobicContact CB-CE2 3.8Å; A268-Y272 WeakPolarHBondContact O-CD2 3.3Å; A268-Y272 WeakPolarHBondContact O-CE2 3.41Å; A268-Y272 PolarHBondContact O-N 3.45Å
269	V	97.9	Very high	97.3	Very high	15 Å²	15	49.9 Å²	49.9	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-42.1	175.7	170.4	0	0	0	0	111.5	W265 T266 A267 K271 Y272 K273 M306 C309	W265-V269 VanDerWaalsContact O-CG2 3.31Å; W265-V269 WeakPolarHBondContact O-CG2 3.49Å; W265-V269 PolarHBondContact O-N 3.1Å; T266-V269 PolarHBondContact O-N 2.89Å; A267-V269 PolarHBondContact O-N 3.2Å; V269-K271 VanDerWaalsContact C-N 3.31Å; V269-K271 PolarHBondContact O-N 2.87Å; V269-Y272 PolarHBondContact O-N 3.27Å; V269-K273 HydrophobicContact CG1-CD 4.1Å; V269-K273 HydrophobicContact CG1-CG 4.29Å; V269-K273 WeakPolarHBondContact O-CB 3.42Å; V269-K273 WeakPolarHBondContact O-CG 3.39Å; V269-K273 PolarHBondContact O-N 3.45Å; V269-M306 HydrophobicContact CG1-CE 4.37Å; V269-M306 HydrophobicContact CG1-CG 4.48Å; V269-C309 HydrophobicContact CG2-CB 3.35Å
270	K	95	Very high	97.2	Very high	105 Å²	105	52.8 Å²	52.8	46%	0.457	25%	0.254	S	S	.	.	H	α-helix	trans	-56.9	-44.4	176.5	-71.6	179.8	178.5	-177.7	0	111.4	E53 T266 A267 A268 K274	E53-K270 IonicContact OE1-NZ 3.33Å; E53-K270 IonicContact OE2-NZ 2.77Å; E53-K270 PolarHBondContact OE2-NZ 3Å; T266-K270 PolarHBondContact O-N 3.16Å; T266-K270 VanDerWaalsContact O-N 3.08Å; A267-K270 WeakPolarHBondContact O-CB 3.24Å; A267-K270 PolarHBondContact O-N 3.04Å; A268-K270 VanDerWaalsContact C-N 3.33Å; A268-K270 PolarHBondContact O-N 3.11Å; K270-K274 PolarHBondContact O-N 3.01Å
271	K	97.8	Very high	96.9	Very high	10 Å²	10	52 Å²	52	4%	0.043	25%	0.251	C	S	.	.	H	α-helix	trans	-69.3	-41.9	177.7	-63.1	-60.8	-175.9	-174.1	0	112.8	D222 T224 D226 V252 I255 A267 A268 V269 K273 K274 A275	D222-K271 IonicContact OD1-NZ 2.89Å; D222-K271 VanDerWaalsContact OD2-CE 3.3Å; D222-K271 WeakPolarHBondContact OD2-CE 3.18Å; D222-K271 IonicContact OD2-NZ 2.66Å; D222-K271 PolarHBondContact OD2-NZ 3.32Å; T224-K271 WeakPolarHBondContact OG1-CE 3.46Å; T224-K271 PolarHBondContact OG1-NZ 3.03Å; D226-K271 IonicContact OD2-NZ 3.58Å; D226-K271 PolarHBondContact OD2-NZ 3.3Å; V252-K271 HydrophobicContact CG1-CB 4.25Å; V252-K271 HydrophobicContact CG1-CD 4.42Å; V252-K271 VanDerWaalsContact CG1-O 3.25Å; V252-K271 WeakPolarHBondContact CG1-O 3.19Å; I255-K271 HydrophobicContact CG2-CD 4.16Å; I255-K271 HydrophobicContact CG2-CG 4.12Å; A267-K271 PolarHBondContact O-N 3.03Å; A267-K271 VanDerWaalsContact O-N 3.1Å; A268-K271 PolarHBondContact O-N 3.05Å; V269-K271 VanDerWaalsContact C-N 3.31Å; V269-K271 PolarHBondContact O-N 2.87Å; K271-K273 PolarHBondContact O-N 3.21Å; K271-K274 WeakPolarHBondContact O-CB 3.3Å; K271-K274 PolarHBondContact O-N 3.28Å; K271-K274 VanDerWaalsContact O-N 3.14Å; K271-A275 PolarHBondContact O-N 3.47Å
272	Y	98.6	Very high	96.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.3	-41.3	176	-59.2	-46.6	0	0	0	112.5	K253 G256 N257 A268 V269 K274 A275 L276 N305 M306	K253-Y272 HydrophobicContact CG-CD1 3.92Å; K253-Y272 HydrophobicContact CG-CE1 3.88Å; K253-Y272 WeakPolarHBondContact O-CE1 3.33Å; G256-Y272 PolarHBondContact O-OH 2.9Å; N257-Y272 WeakPolarHBondContact CA-OH 3.32Å; N257-Y272 PolarHBondContact N-OH 3.28Å; N257-Y272 PolarHBondContact OD1-OH 2.83Å; A268-Y272 HydrophobicContact CB-CD2 4.48Å; A268-Y272 HydrophobicContact CB-CE2 3.8Å; A268-Y272 WeakPolarHBondContact O-CD2 3.3Å; A268-Y272 WeakPolarHBondContact O-CE2 3.41Å; A268-Y272 PolarHBondContact O-N 3.45Å; V269-Y272 PolarHBondContact O-N 3.27Å; Y272-K274 VanDerWaalsContact C-N 3.28Å; Y272-K274 PolarHBondContact O-N 2.8Å; Y272-A275 PolarHBondContact O-N 3.3Å; Y272-L276 WeakPolarHBondContact O-CG 3.48Å; Y272-L276 PolarHBondContact O-N 2.89Å; Y272-N305 HydrophobicContact CD1-CB 4.2Å; Y272-N305 HydrophobicContact CD2-CB 3.88Å; Y272-N305 HydrophobicContact CE1-CB 3.84Å; Y272-N305 HydrophobicContact CE2-CB 3.5Å; Y272-N305 HydrophobicContact CG-CB 4.24Å; Y272-N305 VanDerWaalsContact CZ-CB 3.48Å; Y272-M306 VanDerWaalsContact CB-CG 3.46Å; Y272-M306 HydrophobicContact CD2-CG 3.86Å; Y272-M306 HydrophobicContact CG-CG 4.08Å
273	K	97.2	Very high	96.3	Very high	109 Å²	109	39.6 Å²	39.6	47%	0.474	20%	0.197	S	C	.	.	H	α-helix	trans	-60.3	-38.7	172.8	-75.1	-175.6	175.5	-173.9	0	111.8	V269 K271 L276 R277 M306	V269-K273 HydrophobicContact CG1-CD 4.1Å; V269-K273 HydrophobicContact CG1-CG 4.29Å; V269-K273 WeakPolarHBondContact O-CB 3.42Å; V269-K273 WeakPolarHBondContact O-CG 3.39Å; V269-K273 PolarHBondContact O-N 3.45Å; K271-K273 PolarHBondContact O-N 3.21Å; K273-L276 PolarHBondContact O-N 3.49Å; K273-R277 WeakPolarHBondContact O-CG 3.39Å; K273-R277 PolarHBondContact O-N 3.46Å; K273-M306 HydrophobicContact CD-CE 4.24Å; K273-M306 HydrophobicContact CG-CE 3.59Å; K273-M306 HydrophobicContact CG-SD 3.79Å
274	K	96.6	Very high	95.8	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-47.2	174.9	179.7	-179.5	174.9	165.3	0	112.1	D226 H228 P229 D230 V252 K270 K271 Y272 L276 R277 Y278	D226-K274 IonicContact OD1-NZ 3.82Å; D226-K274 PolarHBondContact OD1-NZ 3.11Å; D226-K274 VanDerWaalsContact OD1-NZ 3.1Å; D226-K274 WeakPolarHBondContact OD2-CE 3.35Å; D226-K274 IonicContact OD2-NZ 3.75Å; D226-K274 PolarHBondContact OD2-NZ 3.4Å; H228-K274 PolarHBondContact O-NZ 3.02Å; P229-K274 WeakPolarHBondContact O-CE 3.13Å; P229-K274 PolarHBondContact O-NZ 3.32Å; D230-K274 IonicContact OD1-NZ 3.43Å; D230-K274 PolarHBondContact OD1-NZ 3.36Å; V252-K274 HydrophobicContact CG1-CB 3.92Å; V252-K274 HydrophobicContact CG1-CD 3.78Å; V252-K274 HydrophobicContact CG1-CG 3.87Å; V252-K274 HydrophobicContact CG2-CD 4.37Å; K270-K274 PolarHBondContact O-N 3.01Å; K271-K274 WeakPolarHBondContact O-CB 3.3Å; K271-K274 PolarHBondContact O-N 3.28Å; K271-K274 VanDerWaalsContact O-N 3.14Å; Y272-K274 VanDerWaalsContact C-N 3.28Å; Y272-K274 PolarHBondContact O-N 2.8Å; K274-L276 VanDerWaalsContact C-N 3.27Å; K274-L276 PolarHBondContact O-N 2.79Å; K274-R277 WeakPolarHBondContact O-CB 3.48Å; K274-R277 PolarHBondContact O-N 3.02Å; K274-R277 VanDerWaalsContact O-N 3.15Å; K274-Y278 HydrophobicContact CG-CD2 4.41Å; K274-Y278 HydrophobicContact CG-CE2 4.32Å; K274-Y278 WeakPolarHBondContact O-CD2 3.38Å; K274-Y278 PolarHBondContact O-N 3.37Å
275	A	98.3	Very high	95.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.9	-42.5	176	0	0	0	0	0	111.6	A249 V252 K253 K271 Y272 Y278 L279	A249-A275 HydrophobicContact CB-CB 4.24Å; A249-A275 WeakPolarHBondContact O-CB 3.37Å; V252-A275 HydrophobicContact CB-CB 4.21Å; V252-A275 HydrophobicContact CG1-CB 4.12Å; K253-A275 HydrophobicContact CB-CB 4.4Å; K271-A275 PolarHBondContact O-N 3.47Å; Y272-A275 PolarHBondContact O-N 3.3Å; A275-Y278 PolarHBondContact O-N 3.05Å; A275-L279 WeakPolarHBondContact O-CG 3.36Å; A275-L279 PolarHBondContact O-N 3.49Å
276	L	98.1	Very high	94.9	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.052	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-43.6	175.3	-71.1	166.1	0	0	0	112.6	Y272 K273 K274 Y278 L279 D280 A299 C302 F303 M306	Y272-L276 WeakPolarHBondContact O-CG 3.48Å; Y272-L276 PolarHBondContact O-N 2.89Å; K273-L276 PolarHBondContact O-N 3.49Å; K274-L276 VanDerWaalsContact C-N 3.27Å; K274-L276 PolarHBondContact O-N 2.79Å; L276-Y278 PolarHBondContact O-N 3.12Å; L276-L279 PolarHBondContact O-N 2.78Å; L276-D280 VanDerWaalsContact O-CG 3.25Å; L276-D280 PolarHBondContact O-N 2.94Å; L276-A299 HydrophobicContact CD2-CB 3.86Å; L276-C302 HydrophobicContact CD1-CB 4.1Å; L276-C302 HydrophobicContact CD2-CB 3.91Å; L276-C302 HydrophobicContact CG-CB 3.78Å; L276-F303 HydrophobicContact CD1-CD1 3.71Å; L276-F303 HydrophobicContact CD1-CE1 3.44Å; L276-F303 VanDerWaalsContact CD1-CE1 3.44Å; L276-F303 HydrophobicContact CD1-CG 4.36Å; L276-F303 HydrophobicContact CD1-CZ 3.89Å; L276-F303 HydrophobicContact CD2-CD1 4.49Å; L276-F303 HydrophobicContact CD2-CD2 4.14Å; L276-F303 HydrophobicContact CD2-CE1 4.12Å; L276-F303 HydrophobicContact CD2-CE2 3.73Å; L276-F303 HydrophobicContact CD2-CG 4.49Å; L276-F303 HydrophobicContact CD2-CZ 3.71Å; L276-F303 HydrophobicContact CG-CE1 4.41Å; L276-F303 HydrophobicContact CG-CZ 4.42Å; L276-M306 HydrophobicContact CD1-SD 3.72Å
277	R	96.3	Very high	94.5	Very high	76 Å²	76	45.2 Å²	45.2	29%	0.287	23%	0.226	S	C	.	.	H	α-helix	trans	-55	-40.1	175.8	-71.4	-170.2	-64.3	-87.1	10.7	112.7	D230 P232 K273 K274 M281	D230-R277 PolarHBondContact O-NE 2.94Å; D230-R277 PolarHBondContact O-NH2 2.85Å; P232-R277 VanDerWaalsContact CG-C 3.5Å; P232-R277 HydrophobicContact CG-CB 3.81Å; P232-R277 WeakPolarHBondContact CG-O 3.15Å; K273-R277 WeakPolarHBondContact O-CG 3.39Å; K273-R277 PolarHBondContact O-N 3.46Å; K274-R277 WeakPolarHBondContact O-CB 3.48Å; K274-R277 PolarHBondContact O-N 3.02Å; K274-R277 VanDerWaalsContact O-N 3.15Å; R277-M281 PolarHBondContact O-N 2.82Å
278	Y	96.8	Very high	94.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-42.6	176.9	-88.9	-92.8	0	0	0	112.1	H228 P229 P232 I237 F239 V245 T248 K274 A275 L276	H228-Y278 HydrophobicContact CB-CE2 4.4Å; P229-Y278 VanDerWaalsContact CD-OH 3.31Å; P229-Y278 WeakPolarHBondContact CD-OH 3.43Å; P229-Y278 WeakPolarHBondContact O-CE2 3.44Å; P229-Y278 PolarHBondContact O-OH 3.4Å; P232-Y278 HydrophobicContact CB-CD1 4.04Å; P232-Y278 HydrophobicContact CB-CD2 4.35Å; P232-Y278 HydrophobicContact CB-CE1 4.05Å; P232-Y278 HydrophobicContact CB-CE2 4.38Å; P232-Y278 HydrophobicContact CB-CG 4.18Å; P232-Y278 HydrophobicContact CG-CD1 4.4Å; P232-Y278 HydrophobicContact CG-CD2 3.9Å; P232-Y278 HydrophobicContact CG-CE2 4.15Å; P232-Y278 HydrophobicContact CG-CG 4.04Å; I237-Y278 HydrophobicContact CD1-CD1 4.34Å; I237-Y278 HydrophobicContact CD1-CE1 3.93Å; F239-Y278 AromaticContact CE1-CD1 3.79Å; F239-Y278 HydrophobicContact CE1-CD1 3.79Å; F239-Y278 HydrophobicContact CE1-CE1 4.29Å; F239-Y278 HydrophobicContact CZ-CD1 4.08Å; F239-Y278 HydrophobicContact CZ-CE1 4.11Å; V245-Y278 WeakPolarHBondContact CG1-O 3.46Å; T248-Y278 HydrophobicContact CG2-CD1 3.75Å; T248-Y278 HydrophobicContact CG2-CE1 3.78Å; T248-Y278 HydrophobicContact CG2-CG 4.21Å; K274-Y278 HydrophobicContact CG-CD2 4.41Å; K274-Y278 HydrophobicContact CG-CE2 4.32Å; K274-Y278 WeakPolarHBondContact O-CD2 3.38Å; K274-Y278 PolarHBondContact O-N 3.37Å; A275-Y278 PolarHBondContact O-N 3.05Å; L276-Y278 PolarHBondContact O-N 3.12Å
279	L	97.2	Very high	93.9	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-65.9	-44.7	177.2	-61.6	172.9	0	0	0	111.4	V245 V246 A249 A275 L276 M281 S282 G283 L295 T298 A299	V245-L279 HydrophobicContact CG1-CD2 4.34Å; V246-L279 HydrophobicContact CG2-CD2 4.2Å; A249-L279 HydrophobicContact CB-CD1 4.25Å; A249-L279 HydrophobicContact CB-CD2 3.67Å; A249-L279 HydrophobicContact CB-CG 3.78Å; A275-L279 WeakPolarHBondContact O-CG 3.36Å; A275-L279 PolarHBondContact O-N 3.49Å; L276-L279 PolarHBondContact O-N 2.78Å; L279-M281 VanDerWaalsContact C-N 3.25Å; L279-M281 PolarHBondContact O-N 3.1Å; L279-S282 PolarHBondContact O-N 3.4Å; L279-S282 VanDerWaalsContact O-N 3.13Å; L279-G283 PolarHBondContact O-N 2.96Å; L279-L295 HydrophobicContact CD2-CB 4.31Å; L279-L295 HydrophobicContact CD2-CD2 4.05Å; L279-T298 HydrophobicContact CD1-CG2 3.91Å; L279-A299 HydrophobicContact CD1-CB 3.86Å
280	D	95	Very high	93.5	Very high	89 Å²	89	60 Å²	60	48%	0.476	29%	0.292	S	S	.	.	H	α-helix	trans	-60.6	-35.4	-179.6	-66.1	-17.4	0	0	0	111.9	L276 S282 G283 N284	L276-D280 VanDerWaalsContact O-CG 3.25Å; L276-D280 PolarHBondContact O-N 2.94Å; D280-S282 VanDerWaalsContact C-N 3.32Å; D280-S282 PolarHBondContact O-N 3.32Å; D280-G283 PolarHBondContact O-N 3.28Å; D280-N284 PolarHBondContact O-N 3.21Å; D280-N284 PolarHBondContact O-ND2 3.22Å
281	M	93.1	Very high	93.3	Very high	44 Å²	44	58.8 Å²	58.8	22%	0.217	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-43.2	176.9	-172.7	60	60.2	0	0	111.6	P232 E233 F239 R277 L279 L285	P232-M281 HydrophobicContact CB-CB 4.2Å; P232-M281 HydrophobicContact CB-CE 4.43Å; P232-M281 HydrophobicContact CB-CG 4.41Å; E233-M281 VanDerWaalsContact CD-CE 3.46Å; E233-M281 HydrophobicContact CG-CE 3.54Å; F239-M281 HydrophobicContact CB-CG 4.06Å; F239-M281 HydrophobicContact CD1-CB 3.52Å; F239-M281 HydrophobicContact CD1-CG 3.39Å; F239-M281 HydrophobicContact CD2-CG 3.66Å; F239-M281 HydrophobicContact CE1-CB 3.68Å; F239-M281 HydrophobicContact CE1-CG 3.68Å; F239-M281 HydrophobicContact CE2-CG 3.94Å; F239-M281 HydrophobicContact CG-CB 4.07Å; F239-M281 HydrophobicContact CG-CG 3.39Å; F239-M281 HydrophobicContact CZ-CB 4.35Å; F239-M281 HydrophobicContact CZ-CG 3.98Å; R277-M281 PolarHBondContact O-N 2.82Å; L279-M281 VanDerWaalsContact C-N 3.25Å; L279-M281 PolarHBondContact O-N 3.1Å; M281-L285 WeakPolarHBondContact O-CG 3.18Å
282	S	92.8	Very high	92.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-71.7	-40.6	173.8	-70.2	0	0	0	0	112.7	F239 V245 L279 D280 N284 L285 V286	F239-S282 WeakPolarHBondContact O-CB 3.36Å; F239-S282 PolarHBondContact O-OG 3.45Å; V245-S282 WeakPolarHBondContact CG1-OG 3.32Å; V245-S282 VanDerWaalsContact CG2-OG 3.26Å; V245-S282 WeakPolarHBondContact CG2-OG 3.4Å; L279-S282 PolarHBondContact O-N 3.4Å; L279-S282 VanDerWaalsContact O-N 3.13Å; D280-S282 VanDerWaalsContact C-N 3.32Å; D280-S282 PolarHBondContact O-N 3.32Å; S282-N284 PolarHBondContact O-N 3.03Å; S282-L285 PolarHBondContact O-N 3.44Å; S282-V286 WeakPolarHBondContact O-CG2 3.29Å; S282-V286 PolarHBondContact O-N 3.3Å
283	G	90	Very high	92.6	Very high	16 Å²	16	67.7 Å²	67.7	17%	0.165	33%	0.325	C	S	.	.	H	α-helix	trans	-57.3	-33.8	178.3	0	0	0	0	0	113	L279 D280 L285	L279-G283 PolarHBondContact O-N 2.96Å; D280-G283 PolarHBondContact O-N 3.28Å; G283-L285 VanDerWaalsContact C-N 3.32Å; G283-L285 PolarHBondContact O-N 3.13Å
284	N	87.9	Confident	92.4	Very high	138 Å²	138	67.5 Å²	67.5	74%	0.738	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.9	175.9	-70.9	-49.5	0	0	0	114.6	D280 S282	D280-N284 PolarHBondContact O-N 3.21Å; D280-N284 PolarHBondContact O-ND2 3.22Å; S282-N284 PolarHBondContact O-N 3.03Å
285	L	89	Confident	92.3	Very high	93 Å²	93	67.8 Å²	67.8	49%	0.487	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-23.6	-176.5	-65.7	175.2	0	0	0	113.1	F239 M281 S282 G283	F239-L285 HydrophobicContact CB-CD1 3.64Å; M281-L285 WeakPolarHBondContact O-CG 3.18Å; S282-L285 PolarHBondContact O-N 3.44Å; G283-L285 VanDerWaalsContact C-N 3.32Å; G283-L285 PolarHBondContact O-N 3.13Å
286	V	87.7	Confident	92.2	Very high	19 Å²	19	70.4 Å²	70.4	12%	0.115	34%	0.338	C	S	.	.			trans	-90.6	118.6	-178.8	176.6	0	0	0	0	109.2	L242 S282 D288 E291	L242-V286 HydrophobicContact CD1-CG2 4.06Å; L242-V286 HydrophobicContact CD2-CG2 3.59Å; L242-V286 HydrophobicContact CG-CG2 4.33Å; S282-V286 WeakPolarHBondContact O-CG2 3.29Å; S282-V286 PolarHBondContact O-N 3.3Å; V286-D288 HydrophobicContact CG1-CB 4.36Å; V286-D288 WeakPolarHBondContact CG1-O 3.38Å; V286-E291 HydrophobicContact CG1-CB 3.49Å; V286-E291 VanDerWaalsContact CG1-CB 3.49Å
287	E	87.5	Confident	92.2	Very high	196 Å²	196	74.1 Å²	74.1	92%	0.916	36%	0.362	S	S	*	.			trans	-88.3	-19.4	175.1	-63.5	-178.2	177	0	0	112.5
288	D	91.1	Very high	92.3	Very high	83 Å²	83	70.9 Å²	70.9	44%	0.444	35%	0.351	S	S	.	.			trans	-79.1	122.9	-178.1	-177.8	-91.8	0	0	0	111.9	V286 E290 E291 H292	V286-D288 HydrophobicContact CG1-CB 4.36Å; V286-D288 WeakPolarHBondContact CG1-O 3.38Å; D288-E290 VanDerWaalsContact C-N 3.34Å; D288-E290 PolarHBondContact O-N 2.91Å; D288-E290 WeakPolarHBondContact OD1-CA 3.17Å; D288-E290 WeakPolarHBondContact OD1-CB 3.05Å; D288-E290 PolarHBondContact OD1-N 3.05Å; D288-E291 HydrophobicContact CB-CB 4.07Å; D288-E291 HydrophobicContact CB-CG 4.22Å; D288-E291 PolarHBondContact O-N 2.77Å; D288-E291 PolarHBondContact OD1-N 3.41Å; D288-H292 PolarHBondContact O-N 2.98Å
289	E	88.4	Confident	92.3	Very high	143 Å²	143	71.2 Å²	71.2	67%	0.668	35%	0.354	S	S	*	.	H	α-helix	trans	-64.9	-34	-176.5	-70.4	-172.5	-178.1	0	0	113.2	H292 R293	E289-H292 PolarHBondContact O-N 3.39Å; E289-R293 VanDerWaalsContact O-CG 3.31Å; E289-R293 WeakPolarHBondContact O-CG 3.49Å; E289-R293 PolarHBondContact O-N 2.88Å; E289-R293 VanDerWaalsContact O-N 3.09Å
290	E	89.6	Confident	92.4	Very high	123 Å²	123	71.9 Å²	71.9	58%	0.575	36%	0.358	S	S	*	.	H	α-helix	trans	-73.9	-35.5	-179.6	-71.7	-65.4	138.5	0	0	111.2	D288 R293	D288-E290 VanDerWaalsContact C-N 3.34Å; D288-E290 PolarHBondContact O-N 2.91Å; D288-E290 WeakPolarHBondContact OD1-CA 3.17Å; D288-E290 WeakPolarHBondContact OD1-CB 3.05Å; D288-E290 PolarHBondContact OD1-N 3.05Å; E290-R293 PolarHBondContact O-N 2.8Å; E290-R293 IonicContact OE1-CZ 2.72Å; E290-R293 IonicContact OE1-NE 2.66Å
291	E	90.2	Very high	92.6	Very high	80 Å²	80	69.3 Å²	69.3	37%	0.374	35%	0.347	S	S	.	.	H	α-helix	trans	-66.7	-41.5	170.2	-75.2	-166.7	163	0	0	112.3	L242 V286 D288 R293 K294	L242-E291 HydrophobicContact CD1-CB 3.64Å; L242-E291 HydrophobicContact CD1-CG 4.15Å; V286-E291 HydrophobicContact CG1-CB 3.49Å; V286-E291 VanDerWaalsContact CG1-CB 3.49Å; D288-E291 HydrophobicContact CB-CB 4.07Å; D288-E291 HydrophobicContact CB-CG 4.22Å; D288-E291 PolarHBondContact O-N 2.77Å; D288-E291 PolarHBondContact OD1-N 3.41Å; E291-R293 VanDerWaalsContact C-N 3.28Å; E291-R293 PolarHBondContact O-N 2.89Å; E291-K294 VanDerWaalsContact O-CB 3.26Å; E291-K294 WeakPolarHBondContact O-CB 3.41Å; E291-K294 PolarHBondContact O-N 3.07Å
292	H	89.4	Confident	92.8	Very high	69 Å²	69	67.2 Å²	67.2	32%	0.319	34%	0.337	S	S	.	.	H	α-helix	trans	-58	-41.3	174.8	-170.6	-81.6	0	0	0	111.7	D288 E289 K294 L295 E296	D288-H292 PolarHBondContact O-N 2.98Å; E289-H292 PolarHBondContact O-N 3.39Å; H292-K294 PolarHBondContact O-N 3.08Å; H292-K294 VanDerWaalsContact O-N 3.09Å; H292-L295 WeakPolarHBondContact O-CB 3.19Å; H292-L295 PolarHBondContact O-N 2.98Å; H292-E296 IonicContact ND1-OE1 3.38Å
293	R	91.8	Very high	93.1	Very high	128 Å²	128	68.4 Å²	68.4	48%	0.483	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.4	176.6	-74.1	172.7	-166.7	-140.7	5.2	114.2	E289 E290 E291 L295 E296 P297	E289-R293 VanDerWaalsContact O-CG 3.31Å; E289-R293 WeakPolarHBondContact O-CG 3.49Å; E289-R293 PolarHBondContact O-N 2.88Å; E289-R293 VanDerWaalsContact O-N 3.09Å; E290-R293 PolarHBondContact O-N 2.8Å; E290-R293 IonicContact OE1-CZ 2.72Å; E290-R293 IonicContact OE1-NE 2.66Å; E291-R293 VanDerWaalsContact C-N 3.28Å; E291-R293 PolarHBondContact O-N 2.89Å; R293-L295 PolarHBondContact O-N 3.23Å; R293-E296 PolarHBondContact O-N 2.89Å; R293-P297 WeakPolarHBondContact O-CD 3.35Å
294	K	93.9	Very high	93.5	Very high	105 Å²	105	68.3 Å²	68.3	46%	0.457	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-25.7	175.6	-61.1	175.9	-176.5	169.6	0	112.4	L242 E291 H292	L242-K294 HydrophobicContact CD1-CD 4.36Å; E291-K294 VanDerWaalsContact O-CB 3.26Å; E291-K294 WeakPolarHBondContact O-CB 3.41Å; E291-K294 PolarHBondContact O-N 3.07Å; H292-K294 PolarHBondContact O-N 3.08Å; H292-K294 VanDerWaalsContact O-N 3.09Å
295	L	95.3	Very high	94.1	Very high	7 Å²	7	63.3 Å²	63.3	4%	0.037	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-28.9	-178.6	-52	179.8	0	0	0	112.2	L242 V246 L279 H292 R293 T298 A299	L242-L295 HydrophobicContact CD2-CD2 4.28Å; V246-L295 HydrophobicContact CG2-CD2 3.68Å; L279-L295 HydrophobicContact CD2-CB 4.31Å; L279-L295 HydrophobicContact CD2-CD2 4.05Å; H292-L295 WeakPolarHBondContact O-CB 3.19Å; H292-L295 PolarHBondContact O-N 2.98Å; R293-L295 PolarHBondContact O-N 3.23Å; L295-T298 PolarHBondContact O-N 3.38Å; L295-A299 PolarHBondContact O-N 3.19Å; L295-A299 VanDerWaalsContact O-N 3.14Å
296	E	95.4	Very high	94.5	Very high	56 Å²	56	59.4 Å²	59.4	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-59.3	-41.8	-170.7	-62.9	176.2	-180	0	0	114.6	H292 R293 T298 A299 V300 L329	H292-E296 IonicContact ND1-OE1 3.38Å; R293-E296 PolarHBondContact O-N 2.89Å; E296-T298 VanDerWaalsContact C-N 3.34Å; E296-T298 PolarHBondContact O-N 3.29Å; E296-A299 PolarHBondContact O-N 3.26Å; E296-V300 WeakPolarHBondContact O-CB 3.3Å; E296-V300 VanDerWaalsContact O-CG2 3.3Å; E296-V300 WeakPolarHBondContact O-CG2 3.45Å; E296-V300 PolarHBondContact O-N 2.84Å; E296-L329 HydrophobicContact CG-CD2 4.34Å
297	P	97.4	Very high	95	Very high	88 Å²	88	58.5 Å²	58.5	57%	0.571	29%	0.285	S	S	*	.	H	α-helix	trans	-60.3	-42.6	-178.1	-25.8	35.6	0	0	0	113.1	R293 S301	R293-P297 WeakPolarHBondContact O-CD 3.35Å; P297-S301 WeakPolarHBondContact O-CB 3.48Å; P297-S301 PolarHBondContact O-N 2.99Å; P297-S301 VanDerWaalsContact O-N 3.07Å
298	T	98.3	Very high	95.6	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.043	25%	0.246	C	C	.	.	H	α-helix	trans	-70.5	-41.9	177.2	-58.7	0	0	0	0	110.6	A249 E250 K253 L279 L295 E296 S301 C302	A249-T298 HydrophobicContact CB-CG2 4.01Å; E250-T298 HydrophobicContact CG-CG2 4.24Å; E250-T298 WeakPolarHBondContact OE1-CB 3.39Å; E250-T298 WeakPolarHBondContact OE1-CG2 3.48Å; E250-T298 PolarHBondContact OE1-OG1 3.12Å; K253-T298 HydrophobicContact CD-CG2 4.47Å; L279-T298 HydrophobicContact CD1-CG2 3.91Å; L295-T298 PolarHBondContact O-N 3.38Å; E296-T298 VanDerWaalsContact C-N 3.34Å; E296-T298 PolarHBondContact O-N 3.29Å; T298-S301 WeakPolarHBondContact O-CB 3.48Å; T298-S301 PolarHBondContact O-N 3.23Å; T298-C302 PolarHBondContact O-N 3.28Å; T298-C302 PolarHBondContact O-SG 3.25Å; T298-C302 VanDerWaalsContact O-SG 3.4Å
299	A	98.2	Very high	95.9	Very high	8 Å²	8	45.8 Å²	45.8	7%	0.066	23%	0.225	C	C	.	.	H	α-helix	trans	-59.4	-52	176.6	0	0	0	0	0	112	L276 L279 L295 E296 S301 C302 F303 L329	L276-A299 HydrophobicContact CD2-CB 3.86Å; L279-A299 HydrophobicContact CD1-CB 3.86Å; L295-A299 PolarHBondContact O-N 3.19Å; L295-A299 VanDerWaalsContact O-N 3.14Å; E296-A299 PolarHBondContact O-N 3.26Å; A299-S301 VanDerWaalsContact C-N 3.27Å; A299-S301 PolarHBondContact O-N 3.32Å; A299-C302 WeakPolarHBondContact O-CB 3.47Å; A299-C302 PolarHBondContact O-N 3.27Å; A299-F303 HydrophobicContact CB-CE2 4.3Å; A299-F303 WeakPolarHBondContact O-CD2 3.49Å; A299-F303 PolarHBondContact O-N 2.7Å; A299-L329 HydrophobicContact CB-CD1 3.82Å
300	V	98.4	Very high	96.4	Very high	17 Å²	17	39.4 Å²	39.4	10%	0.103	20%	0.195	C	C	.	.	H	α-helix	trans	-56.8	-42.3	175.9	171	0	0	0	0	110.8	E296 C302 F303 L304 L329	E296-V300 WeakPolarHBondContact O-CB 3.3Å; E296-V300 VanDerWaalsContact O-CG2 3.3Å; E296-V300 WeakPolarHBondContact O-CG2 3.45Å; E296-V300 PolarHBondContact O-N 2.84Å; V300-C302 VanDerWaalsContact C-N 3.35Å; V300-C302 PolarHBondContact O-N 2.87Å; V300-F303 PolarHBondContact O-N 2.64Å; V300-L304 HydrophobicContact CG1-CD1 3.91Å; V300-L304 HydrophobicContact CG1-CG 4.28Å; V300-L304 VanDerWaalsContact O-CB 3.26Å; V300-L304 WeakPolarHBondContact O-CB 3.48Å; V300-L304 WeakPolarHBondContact O-CG 2.99Å; V300-L304 PolarHBondContact O-N 3.47Å; V300-L329 HydrophobicContact CG2-CB 3.64Å; V300-L329 HydrophobicContact CG2-CD1 3.77Å; V300-L329 HydrophobicContact CG2-CG 4.37Å
301	S	98.6	Very high	96.9	Very high	35 Å²	35	34.9 Å²	34.9	25%	0.245	18%	0.175	C	C	.	.	H	α-helix	trans	-61.5	-41.8	176.1	-175	0	0	0	0	112.3	P297 T298 A299 N305	P297-S301 WeakPolarHBondContact O-CB 3.48Å; P297-S301 PolarHBondContact O-N 2.99Å; P297-S301 VanDerWaalsContact O-N 3.07Å; T298-S301 WeakPolarHBondContact O-CB 3.48Å; T298-S301 PolarHBondContact O-N 3.23Å; A299-S301 VanDerWaalsContact C-N 3.27Å; A299-S301 PolarHBondContact O-N 3.32Å; S301-N305 WeakPolarHBondContact O-CB 3.33Å; S301-N305 PolarHBondContact O-N 3.45Å; S301-N305 PolarHBondContact O-ND2 3.27Å
302	C	98.8	Very high	97.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-49.4	177.4	-73.7	0	0	0	0	111.5	L276 T298 A299 V300 L304 N305 M306	L276-C302 HydrophobicContact CD1-CB 4.1Å; L276-C302 HydrophobicContact CD2-CB 3.91Å; L276-C302 HydrophobicContact CG-CB 3.78Å; T298-C302 PolarHBondContact O-N 3.28Å; T298-C302 PolarHBondContact O-SG 3.25Å; T298-C302 VanDerWaalsContact O-SG 3.4Å; A299-C302 WeakPolarHBondContact O-CB 3.47Å; A299-C302 PolarHBondContact O-N 3.27Å; V300-C302 VanDerWaalsContact C-N 3.35Å; V300-C302 PolarHBondContact O-N 2.87Å; C302-L304 PolarHBondContact O-N 3.26Å; C302-N305 PolarHBondContact O-N 2.64Å; C302-N305 VanDerWaalsContact O-N 3.13Å; C302-M306 WeakPolarHBondContact O-CG 3.5Å; C302-M306 PolarHBondContact O-N 3.43Å
303	F	98.8	Very high	97.7	Very high	26 Å²	26	37.1 Å²	37.1	11%	0.114	19%	0.185	C	C	.	.	H	α-helix	trans	-58.7	-45.3	177.2	-73.9	-52.6	0	0	0	112.5	L276 A299 V300 N305 M306 A307 S322 E325 A326 L329	L276-F303 HydrophobicContact CD1-CD1 3.71Å; L276-F303 HydrophobicContact CD1-CE1 3.44Å; L276-F303 VanDerWaalsContact CD1-CE1 3.44Å; L276-F303 HydrophobicContact CD1-CG 4.36Å; L276-F303 HydrophobicContact CD1-CZ 3.89Å; L276-F303 HydrophobicContact CD2-CD1 4.49Å; L276-F303 HydrophobicContact CD2-CD2 4.14Å; L276-F303 HydrophobicContact CD2-CE1 4.12Å; L276-F303 HydrophobicContact CD2-CE2 3.73Å; L276-F303 HydrophobicContact CD2-CG 4.49Å; L276-F303 HydrophobicContact CD2-CZ 3.71Å; L276-F303 HydrophobicContact CG-CE1 4.41Å; L276-F303 HydrophobicContact CG-CZ 4.42Å; A299-F303 HydrophobicContact CB-CE2 4.3Å; A299-F303 WeakPolarHBondContact O-CD2 3.49Å; A299-F303 PolarHBondContact O-N 2.7Å; V300-F303 PolarHBondContact O-N 2.64Å; F303-N305 PolarHBondContact O-N 2.84Å; F303-M306 PolarHBondContact O-N 3.38Å; F303-A307 PolarHBondContact O-N 2.84Å; F303-S322 WeakPolarHBondContact CB-O 3.29Å; F303-E325 HydrophobicContact CD1-CB 3.6Å; F303-E325 HydrophobicContact CD1-CG 4.18Å; F303-E325 HydrophobicContact CD2-CB 3.95Å; F303-E325 HydrophobicContact CE1-CB 3.51Å; F303-E325 HydrophobicContact CE1-CG 3.77Å; F303-E325 HydrophobicContact CE2-CB 3.88Å; F303-E325 HydrophobicContact CG-CB 3.83Å; F303-E325 HydrophobicContact CZ-CB 3.66Å; F303-E325 HydrophobicContact CZ-CG 4.1Å; F303-A326 HydrophobicContact CB-CB 3.89Å; F303-L329 HydrophobicContact CD2-CD1 4.18Å; F303-L329 HydrophobicContact CE2-CD1 3.96Å
304	L	98.8	Very high	98	Very high	14 Å²	14	37.3 Å²	37.3	7%	0.073	19%	0.191	C	C	.	.	H	α-helix	trans	-57.8	-49.6	173.7	-77.3	178.9	0	0	0	110.9	V300 C302 M306 A307 A308 A326 K335 A336 R339	V300-L304 HydrophobicContact CG1-CD1 3.91Å; V300-L304 HydrophobicContact CG1-CG 4.28Å; V300-L304 VanDerWaalsContact O-CB 3.26Å; V300-L304 WeakPolarHBondContact O-CB 3.48Å; V300-L304 WeakPolarHBondContact O-CG 2.99Å; V300-L304 PolarHBondContact O-N 3.47Å; C302-L304 PolarHBondContact O-N 3.26Å; L304-M306 VanDerWaalsContact C-N 3.32Å; L304-M306 PolarHBondContact O-N 2.67Å; L304-A307 WeakPolarHBondContact O-CB 3.38Å; L304-A307 PolarHBondContact O-N 3.47Å; L304-A308 PolarHBondContact O-N 3.05Å; L304-A326 HydrophobicContact CD2-CB 4.4Å; L304-A326 HydrophobicContact CG-CB 4.42Å; L304-K335 HydrophobicContact CD1-CB 4.29Å; L304-K335 HydrophobicContact CD1-CD 4.44Å; L304-K335 HydrophobicContact CD2-CB 3.94Å; L304-A336 HydrophobicContact CD2-CB 3.75Å; L304-R339 PolarHBondContact O-NH1 2.9Å
305	N	98.8	Very high	98.2	Very high	32 Å²	32	35.6 Å²	35.6	17%	0.171	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-37.2	-179.4	-72.3	-9.4	0	0	0	112.4	N257 Y272 S301 C302 F303 A308 C309	N257-N305 PolarHBondContact OD1-ND2 3.29Å; Y272-N305 HydrophobicContact CD1-CB 4.2Å; Y272-N305 HydrophobicContact CD2-CB 3.88Å; Y272-N305 HydrophobicContact CE1-CB 3.84Å; Y272-N305 HydrophobicContact CE2-CB 3.5Å; Y272-N305 HydrophobicContact CG-CB 4.24Å; Y272-N305 VanDerWaalsContact CZ-CB 3.48Å; S301-N305 WeakPolarHBondContact O-CB 3.33Å; S301-N305 PolarHBondContact O-N 3.45Å; S301-N305 PolarHBondContact O-ND2 3.27Å; C302-N305 PolarHBondContact O-N 2.64Å; C302-N305 VanDerWaalsContact O-N 3.13Å; F303-N305 PolarHBondContact O-N 2.84Å; N305-A308 WeakPolarHBondContact O-CB 3.49Å; N305-A308 PolarHBondContact O-N 2.83Å; N305-C309 PolarHBondContact O-N 3.06Å; N305-C309 PolarHBondContact O-SG 2.8Å
306	M	98.8	Very high	98.3	Very high	11 Å²	11	38.4 Å²	38.4	5%	0.054	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-47.8	171.7	-73.5	174.6	51.4	0	0	111.9	V269 Y272 K273 L276 C302 F303 L304 A308 C309 N310	V269-M306 HydrophobicContact CG1-CE 4.37Å; V269-M306 HydrophobicContact CG1-CG 4.48Å; Y272-M306 VanDerWaalsContact CB-CG 3.46Å; Y272-M306 HydrophobicContact CD2-CG 3.86Å; Y272-M306 HydrophobicContact CG-CG 4.08Å; K273-M306 HydrophobicContact CD-CE 4.24Å; K273-M306 HydrophobicContact CG-CE 3.59Å; K273-M306 HydrophobicContact CG-SD 3.79Å; L276-M306 HydrophobicContact CD1-SD 3.72Å; C302-M306 WeakPolarHBondContact O-CG 3.5Å; C302-M306 PolarHBondContact O-N 3.43Å; F303-M306 PolarHBondContact O-N 3.38Å; L304-M306 VanDerWaalsContact C-N 3.32Å; L304-M306 PolarHBondContact O-N 2.67Å; M306-A308 PolarHBondContact O-N 2.69Å; M306-C309 WeakPolarHBondContact O-CB 3.36Å; M306-C309 PolarHBondContact O-N 3.1Å; M306-N310 PolarHBondContact O-N 2.73Å; M306-N310 PolarHBondContact O-ND2 2.86Å
307	A	98.8	Very high	98.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.1	-40.9	175.2	0	0	0	0	0	111.6	F303 L304 N310 L311 C323 R339	F303-A307 PolarHBondContact O-N 2.84Å; L304-A307 WeakPolarHBondContact O-CB 3.38Å; L304-A307 PolarHBondContact O-N 3.47Å; A307-N310 PolarHBondContact O-N 3.31Å; A307-L311 WeakPolarHBondContact O-CB 3.48Å; A307-L311 VanDerWaalsContact O-CG 3.22Å; A307-L311 WeakPolarHBondContact O-CG 3.3Å; A307-L311 PolarHBondContact O-N 3.05Å; A307-C323 WeakPolarHBondContact CB-SG 3.47Å; A307-R339 HydrophobicContact CB-CB 4.48Å
308	A	98.8	Very high	98.5	Very high	13 Å²	13	39.8 Å²	39.8	11%	0.107	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-41.7	175.8	0	0	0	0	0	112.8	F260 L304 N305 M306 K312	F260-A308 HydrophobicContact CE2-CB 4.05Å; F260-A308 HydrophobicContact CZ-CB 4.34Å; L304-A308 PolarHBondContact O-N 3.05Å; N305-A308 WeakPolarHBondContact O-CB 3.49Å; N305-A308 PolarHBondContact O-N 2.83Å; M306-A308 PolarHBondContact O-N 2.69Å; A308-K312 WeakPolarHBondContact O-CG 3.47Å; A308-K312 PolarHBondContact O-N 2.85Å
309	C	98.8	Very high	98.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-48.5	175.1	-61.9	0	0	0	0	111.5	F260 W265 V269 N305 M306 L311 K312 L313	F260-C309 WeakPolarHBondContact CD2-SG 3.28Å; W265-C309 HydrophobicContact CB-CB 4.08Å; V269-C309 HydrophobicContact CG2-CB 3.35Å; N305-C309 PolarHBondContact O-N 3.06Å; N305-C309 PolarHBondContact O-SG 2.8Å; M306-C309 WeakPolarHBondContact O-CB 3.36Å; M306-C309 PolarHBondContact O-N 3.1Å; C309-L311 VanDerWaalsContact C-N 3.31Å; C309-L311 PolarHBondContact O-N 3.19Å; C309-K312 WeakPolarHBondContact O-CA 2.89Å; C309-K312 VanDerWaalsContact O-CB 3.31Å; C309-K312 WeakPolarHBondContact O-CB 3.35Å; C309-K312 PolarHBondContact O-N 2.82Å; C309-L313 WeakPolarHBondContact O-CG 3.37Å; C309-L313 PolarHBondContact O-N 2.95Å
310	N	98.6	Very high	98.5	Very high	9 Å²	9	39.1 Å²	39.1	5%	0.048	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-36.5	-177.3	-69.9	-19.5	0	0	0	111.6	M306 A307 K312 L313 Q314 L315 E318 A319	M306-N310 PolarHBondContact O-N 2.73Å; M306-N310 PolarHBondContact O-ND2 2.86Å; A307-N310 PolarHBondContact O-N 3.31Å; N310-K312 VanDerWaalsContact C-N 3.32Å; N310-K312 PolarHBondContact O-N 3.31Å; N310-L313 CarbonylContact O-C 3.47Å; N310-L313 PolarHBondContact O-N 3.2Å; N310-Q314 PolarHBondContact O-N 2.77Å; N310-L315 HydrophobicContact CB-CB 4.15Å; N310-L315 PolarHBondContact O-N 3.25Å; N310-E318 HydrophobicContact CB-CB 4.38Å; N310-E318 WeakPolarHBondContact ND2-CB 3.14Å; N310-E318 PolarHBondContact ND2-O 3.26Å; N310-A319 HydrophobicContact CB-CB 3.74Å
311	L	98.6	Very high	98.5	Very high	27 Å²	27	43 Å²	43	14%	0.141	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-37.1	169.8	-72.8	171.8	0	0	0	112.8	A307 C309 L313 Q314 W316 A319 R339 Q342 A343	A307-L311 WeakPolarHBondContact O-CB 3.48Å; A307-L311 VanDerWaalsContact O-CG 3.22Å; A307-L311 WeakPolarHBondContact O-CG 3.3Å; A307-L311 PolarHBondContact O-N 3.05Å; C309-L311 VanDerWaalsContact C-N 3.31Å; C309-L311 PolarHBondContact O-N 3.19Å; L311-L313 VanDerWaalsContact C-N 3.34Å; L311-Q314 PolarHBondContact O-N 2.87Å; L311-W316 HydrophobicContact CD2-CE3 4.01Å; L311-W316 HydrophobicContact CD2-CZ3 3.89Å; L311-A319 HydrophobicContact CD2-CB 4.08Å; L311-A319 HydrophobicContact CG-CB 4.03Å; L311-R339 HydrophobicContact CD1-CB 3.84Å; L311-R339 HydrophobicContact CD1-CG 3.89Å; L311-Q342 HydrophobicContact CD1-CB 4.17Å; L311-Q342 HydrophobicContact CD2-CB 3.9Å; L311-A343 HydrophobicContact CD2-CB 3.94Å
312	K	98.4	Very high	98.5	Very high	134 Å²	134	41.7 Å²	41.7	58%	0.583	20%	0.199	S	C	*	.	H	α-helix	trans	-68.7	-34.7	174.6	-67.4	-68.2	-177.2	179.6	0	112.2	W265 A308 C309 N310 Q314	W265-K312 HydrophobicContact CD2-CB 4.04Å; W265-K312 HydrophobicContact CD2-CG 4.25Å; W265-K312 HydrophobicContact CG-CB 4.05Å; W265-K312 HydrophobicContact CZ2-CD 4.48Å; W265-K312 HydrophobicContact CZ2-CG 4.3Å; A308-K312 WeakPolarHBondContact O-CG 3.47Å; A308-K312 PolarHBondContact O-N 2.85Å; C309-K312 WeakPolarHBondContact O-CA 2.89Å; C309-K312 VanDerWaalsContact O-CB 3.31Å; C309-K312 WeakPolarHBondContact O-CB 3.35Å; C309-K312 PolarHBondContact O-N 2.82Å; N310-K312 VanDerWaalsContact C-N 3.32Å; N310-K312 PolarHBondContact O-N 3.31Å; K312-Q314 VanDerWaalsContact C-N 3.3Å
313	L	98.1	Very high	98.5	Very high	62 Å²	62	41.7 Å²	41.7	33%	0.325	20%	0.199	S	C	.	.	H	α-helix	trans	-81.6	-6.4	176.9	-66.1	170.7	0	0	0	113.6	W265 C309 N310 L311 L315	W265-L313 HydrophobicContact CB-CD1 3.93Å; W265-L313 HydrophobicContact CB-CD2 4.02Å; W265-L313 HydrophobicContact CB-CG 3.81Å; W265-L313 HydrophobicContact CG-CD2 4.41Å; W265-L313 HydrophobicContact CG-CG 4.41Å; C309-L313 WeakPolarHBondContact O-CG 3.37Å; C309-L313 PolarHBondContact O-N 2.95Å; N310-L313 CarbonylContact O-C 3.47Å; N310-L313 PolarHBondContact O-N 3.2Å; L311-L313 VanDerWaalsContact C-N 3.34Å; L313-L315 HydrophobicContact CB-CB 4.41Å; L313-L315 HydrophobicContact CB-CD1 3.97Å; L313-L315 HydrophobicContact CB-CG 3.85Å; L313-L315 HydrophobicContact CD1-CD1 3.99Å; L313-L315 PolarHBondContact O-N 2.69Å
314	Q	98.2	Very high	98.5	Very high	133 Å²	133	43 Å²	43	62%	0.621	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	24.6	-172.9	-52.5	-174.3	18.1	0	0	113.8	N310 L311 K312 W316	N310-Q314 PolarHBondContact O-N 2.77Å; L311-Q314 PolarHBondContact O-N 2.87Å; K312-Q314 VanDerWaalsContact C-N 3.3Å; Q314-W316 VanDerWaalsContact C-N 3.29Å; Q314-W316 HydrophobicContact CB-CH2 3.83Å; Q314-W316 HydrophobicContact CB-CZ2 3.42Å; Q314-W316 VanDerWaalsContact CB-CZ2 3.42Å; Q314-W316 HydrophobicContact CG-CH2 3.71Å; Q314-W316 HydrophobicContact CG-CZ2 3.61Å; Q314-W316 PolarHBondContact O-N 3.21Å; Q314-W316 VanDerWaalsContact O-N 3.1Å; Q314-W316 PolarHBondContact O-NE1 2.79Å
315	L	98	Very high	98.5	Very high	68 Å²	68	46.5 Å²	46.5	36%	0.356	22%	0.223	S	C	.	.			trans	-83.9	76.1	172.4	-67.5	-179.5	0	0	0	108.3	N310 L313 Q317 E318 A319	N310-L315 HydrophobicContact CB-CB 4.15Å; N310-L315 PolarHBondContact O-N 3.25Å; L313-L315 HydrophobicContact CB-CB 4.41Å; L313-L315 HydrophobicContact CB-CD1 3.97Å; L313-L315 HydrophobicContact CB-CG 3.85Å; L313-L315 HydrophobicContact CD1-CD1 3.99Å; L313-L315 PolarHBondContact O-N 2.69Å; L315-Q317 PolarHBondContact O-N 3.37Å; L315-E318 VanDerWaalsContact C-OE2 3.29Å; L315-E318 WeakPolarHBondContact CA-OE2 3.45Å; L315-E318 HydrophobicContact CB-CB 4.18Å; L315-E318 HydrophobicContact CB-CG 4.37Å; L315-E318 WeakPolarHBondContact CB-OE2 3.34Å; L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 3.28Å
316	W	98.3	Very high	98.4	Very high	67 Å²	67	45 Å²	45	25%	0.254	22%	0.215	S	C	.	.	H	α-helix	trans	-65	-40	-168.6	-48.9	121.3	0	0	0	112.6	L311 Q314 A319 L320 L347	L311-W316 HydrophobicContact CD2-CE3 4.01Å; L311-W316 HydrophobicContact CD2-CZ3 3.89Å; Q314-W316 VanDerWaalsContact C-N 3.29Å; Q314-W316 HydrophobicContact CB-CH2 3.83Å; Q314-W316 HydrophobicContact CB-CZ2 3.42Å; Q314-W316 VanDerWaalsContact CB-CZ2 3.42Å; Q314-W316 HydrophobicContact CG-CH2 3.71Å; Q314-W316 HydrophobicContact CG-CZ2 3.61Å; Q314-W316 PolarHBondContact O-N 3.21Å; Q314-W316 VanDerWaalsContact O-N 3.1Å; Q314-W316 PolarHBondContact O-NE1 2.79Å; W316-A319 PolarHBondContact O-N 3.15Å; W316-L320 WeakPolarHBondContact O-CG 3.45Å; W316-L320 PolarHBondContact O-N 2.85Å; W316-L347 HydrophobicContact CB-CD1 4.43Å; W316-L347 HydrophobicContact CB-CD2 3.78Å; W316-L347 HydrophobicContact CB-CG 3.79Å; W316-L347 HydrophobicContact CG-CD2 4.23Å; W316-L347 HydrophobicContact CG-CG 4.41Å
317	Q	98.1	Very high	98.4	Very high	96 Å²	96	45 Å²	45	45%	0.449	22%	0.215	S	C	.	.	H	α-helix	trans	-67.7	-43.4	-177.8	-174.7	56.3	38.6	0	0	110.8	L315 A319 L320 E321	L315-Q317 PolarHBondContact O-N 3.37Å; Q317-A319 VanDerWaalsContact C-N 3.29Å; Q317-A319 PolarHBondContact O-N 3.18Å; Q317-L320 WeakPolarHBondContact O-CB 3.26Å; Q317-L320 PolarHBondContact O-N 2.82Å; Q317-L320 VanDerWaalsContact O-N 3.12Å; Q317-E321 PolarHBondContact NE2-OE1 3.06Å; Q317-E321 WeakPolarHBondContact O-CG 3.49Å; Q317-E321 PolarHBondContact O-N 2.75Å
318	E	98	Very high	98.3	Very high	77 Å²	77	51.9 Å²	51.9	36%	0.36	25%	0.247	S	C	.	.	H	α-helix	trans	-68.5	-30.4	177.6	-59.8	85.7	158.8	0	0	111.8	N310 L315 S322	N310-E318 HydrophobicContact CB-CB 4.38Å; N310-E318 WeakPolarHBondContact ND2-CB 3.14Å; N310-E318 PolarHBondContact ND2-O 3.26Å; L315-E318 VanDerWaalsContact C-OE2 3.29Å; L315-E318 WeakPolarHBondContact CA-OE2 3.45Å; L315-E318 HydrophobicContact CB-CB 4.18Å; L315-E318 HydrophobicContact CB-CG 4.37Å; L315-E318 WeakPolarHBondContact CB-OE2 3.34Å; E318-S322 WeakPolarHBondContact O-CB 3Å; E318-S322 PolarHBondContact O-N 3.13Å; E318-S322 VanDerWaalsContact O-N 3.13Å; E318-S322 PolarHBondContact O-OG 3.29Å
319	A	98.6	Very high	98.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.1	-37.7	171.2	0	0	0	0	0	112	N310 L311 L315 W316 Q317 C323 A343	N310-A319 HydrophobicContact CB-CB 3.74Å; L311-A319 HydrophobicContact CD2-CB 4.08Å; L311-A319 HydrophobicContact CG-CB 4.03Å; L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 3.28Å; W316-A319 PolarHBondContact O-N 3.15Å; Q317-A319 VanDerWaalsContact C-N 3.29Å; Q317-A319 PolarHBondContact O-N 3.18Å; A319-C323 PolarHBondContact O-N 2.6Å; A319-C323 VanDerWaalsContact O-N 3.12Å; A319-C323 PolarHBondContact O-SG 3.41Å; A319-A343 HydrophobicContact CB-CB 3.92Å
320	L	98.6	Very high	97.9	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-52.1	174.6	-69.6	171	0	0	0	110.9	W316 Q317 S322 C323 D324 R340 A343 W344 L347	W316-L320 WeakPolarHBondContact O-CG 3.45Å; W316-L320 PolarHBondContact O-N 2.85Å; Q317-L320 WeakPolarHBondContact O-CB 3.26Å; Q317-L320 PolarHBondContact O-N 2.82Å; Q317-L320 VanDerWaalsContact O-N 3.12Å; L320-S322 VanDerWaalsContact C-N 3.3Å; L320-S322 PolarHBondContact O-N 3.24Å; L320-C323 CarbonylContact O-C 3.24Å; L320-C323 WeakPolarHBondContact O-CA 3.44Å; L320-C323 WeakPolarHBondContact O-CB 3.37Å; L320-C323 PolarHBondContact O-N 2.87Å; L320-D324 PolarHBondContact O-N 3.44Å; L320-R340 HydrophobicContact CD2-CB 4.5Å; L320-R340 HydrophobicContact CD2-CG 3.42Å; L320-R340 VanDerWaalsContact CD2-CG 3.42Å; L320-A343 HydrophobicContact CD2-CB 3.65Å; L320-A343 HydrophobicContact CG-CB 3.78Å; L320-W344 HydrophobicContact CD1-CD2 4.13Å; L320-W344 HydrophobicContact CD1-CE3 3.66Å; L320-W344 HydrophobicContact CD1-CH2 3.45Å; L320-W344 VanDerWaalsContact CD1-CH2 3.45Å; L320-W344 HydrophobicContact CD1-CZ2 3.96Å; L320-W344 HydrophobicContact CD1-CZ3 3.29Å; L320-W344 HydrophobicContact CD2-CD2 3.57Å; L320-W344 VanDerWaalsContact CD2-CE2 3.42Å; L320-W344 HydrophobicContact CD2-CE3 4Å; L320-W344 HydrophobicContact CD2-CG 3.98Å; L320-W344 HydrophobicContact CD2-CH2 4.09Å; L320-W344 HydrophobicContact CD2-CZ2 3.7Å; L320-W344 HydrophobicContact CD2-CZ3 4.24Å; L320-W344 HydrophobicContact CG-CE3 4.48Å; L320-W344 HydrophobicContact CG-CH2 4.35Å; L320-W344 HydrophobicContact CG-CZ2 4.4Å; L320-W344 HydrophobicContact CG-CZ3 4.41Å; L320-L347 HydrophobicContact CD1-CD1 3.53Å
321	E	98.4	Very high	97.8	Very high	99 Å²	99	63.2 Å²	63.2	46%	0.463	30%	0.301	S	S	.	.	H	α-helix	trans	-53.9	-48.5	178.2	-71.7	166	-166.9	0	0	110.9	Q317 C323 D324 E325	Q317-E321 PolarHBondContact NE2-OE1 3.06Å; Q317-E321 WeakPolarHBondContact O-CG 3.49Å; Q317-E321 PolarHBondContact O-N 2.75Å; E321-C323 VanDerWaalsContact C-N 3.26Å; E321-C323 PolarHBondContact O-N 2.98Å; E321-D324 PolarHBondContact O-N 2.98Å; E321-D324 VanDerWaalsContact O-N 3.13Å; E321-E325 VanDerWaalsContact O-CG 3.3Å; E321-E325 WeakPolarHBondContact O-CG 3.28Å; E321-E325 PolarHBondContact O-N 3.12Å
322	S	98.6	Very high	97.7	Very high	7 Å²	7	68.4 Å²	68.4	5%	0.049	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-32	177	-56.9	0	0	0	0	113	F303 E318 L320 A326	F303-S322 WeakPolarHBondContact CB-O 3.29Å; E318-S322 WeakPolarHBondContact O-CB 3Å; E318-S322 PolarHBondContact O-N 3.13Å; E318-S322 VanDerWaalsContact O-N 3.13Å; E318-S322 PolarHBondContact O-OG 3.29Å; L320-S322 VanDerWaalsContact C-N 3.3Å; L320-S322 PolarHBondContact O-N 3.24Å; S322-A326 PolarHBondContact O-N 3Å
323	C	98.8	Very high	97.7	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-77.1	-34.8	175.6	-67.1	0	0	0	0	112.4	A307 A319 L320 E321 A326 L327 R340	A307-C323 WeakPolarHBondContact CB-SG 3.47Å; A319-C323 PolarHBondContact O-N 2.6Å; A319-C323 VanDerWaalsContact O-N 3.12Å; A319-C323 PolarHBondContact O-SG 3.41Å; L320-C323 CarbonylContact O-C 3.24Å; L320-C323 WeakPolarHBondContact O-CA 3.44Å; L320-C323 WeakPolarHBondContact O-CB 3.37Å; L320-C323 PolarHBondContact O-N 2.87Å; E321-C323 VanDerWaalsContact C-N 3.26Å; E321-C323 PolarHBondContact O-N 2.98Å; C323-A326 PolarHBondContact O-N 2.67Å; C323-L327 WeakPolarHBondContact O-CB 3.39Å; C323-L327 WeakPolarHBondContact O-CD1 3.35Å; C323-L327 VanDerWaalsContact O-CG 3.23Å; C323-L327 WeakPolarHBondContact O-CG 3.48Å; C323-L327 PolarHBondContact O-N 2.63Å; C323-R340 HydrophobicContact CB-CB 3.63Å; C323-R340 HydrophobicContact CB-CG 3.86Å; C323-R340 PolarHBondContact SG-N 2.9Å; C323-R340 VanDerWaalsContact SG-N 3.43Å
324	D	98.6	Very high	97.7	Very high	54 Å²	54	62 Å²	62	29%	0.289	30%	0.298	S	S	.	.	H	α-helix	trans	-64	-49	177.5	-70.6	-22.4	0	0	0	110.1	L320 E321 A326 L327 E328 R340	L320-D324 PolarHBondContact O-N 3.44Å; E321-D324 PolarHBondContact O-N 2.98Å; E321-D324 VanDerWaalsContact O-N 3.13Å; D324-A326 VanDerWaalsContact C-N 3.31Å; D324-A326 PolarHBondContact O-N 3.31Å; D324-L327 CarbonylContact O-C 3.56Å; D324-L327 WeakPolarHBondContact O-CA 3.33Å; D324-L327 WeakPolarHBondContact O-CB 3.3Å; D324-L327 PolarHBondContact O-N 3.11Å; D324-E328 WeakPolarHBondContact O-CG 3.31Å; D324-E328 PolarHBondContact O-N 3.27Å; D324-R340 WeakPolarHBondContact OD1-CD 3.47Å; D324-R340 IonicContact OD1-CZ 3.99Å; D324-R340 IonicContact OD1-NE 3.65Å; D324-R340 IonicContact OD1-NH1 3.45Å; D324-R340 PolarHBondContact OD1-NH1 3.05Å
325	E	98.3	Very high	97.7	Very high	87 Å²	87	61.8 Å²	61.8	41%	0.407	30%	0.296	S	S	.	.	H	α-helix	trans	-54.5	-44.7	173.6	-65.9	-72.3	173.2	0	0	112.1	F303 E321 L327 E328 L329	F303-E325 HydrophobicContact CD1-CB 3.6Å; F303-E325 HydrophobicContact CD1-CG 4.18Å; F303-E325 HydrophobicContact CD2-CB 3.95Å; F303-E325 HydrophobicContact CE1-CB 3.51Å; F303-E325 HydrophobicContact CE1-CG 3.77Å; F303-E325 HydrophobicContact CE2-CB 3.88Å; F303-E325 HydrophobicContact CG-CB 3.83Å; F303-E325 HydrophobicContact CZ-CB 3.66Å; F303-E325 HydrophobicContact CZ-CG 4.1Å; E321-E325 VanDerWaalsContact O-CG 3.3Å; E321-E325 WeakPolarHBondContact O-CG 3.28Å; E321-E325 PolarHBondContact O-N 3.12Å; E325-L327 VanDerWaalsContact C-N 3.27Å; E325-L327 PolarHBondContact O-N 2.99Å; E325-E328 PolarHBondContact O-N 2.99Å; E325-L329 PolarHBondContact O-N 3.28Å
326	A	98.3	Very high	97.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.2	-31.3	176	0	0	0	0	0	113.2	F303 L304 S322 C323 D324 N330 A336	F303-A326 HydrophobicContact CB-CB 3.89Å; L304-A326 HydrophobicContact CD2-CB 4.4Å; L304-A326 HydrophobicContact CG-CB 4.42Å; S322-A326 PolarHBondContact O-N 3Å; C323-A326 PolarHBondContact O-N 2.67Å; D324-A326 VanDerWaalsContact C-N 3.31Å; D324-A326 PolarHBondContact O-N 3.31Å; A326-N330 PolarHBondContact O-N 2.78Å; A326-A336 HydrophobicContact CB-CB 3.98Å
327	L	98.1	Very high	97.7	Very high	11 Å²	11	55.4 Å²	55.4	6%	0.058	27%	0.267	C	S	.	.	H	α-helix	trans	-84.6	-24.4	-179.7	-73	166	0	0	0	112.9	C323 D324 E325 L329 N330 Q331 N333 A336 L337 R340	C323-L327 WeakPolarHBondContact O-CB 3.39Å; C323-L327 WeakPolarHBondContact O-CD1 3.35Å; C323-L327 VanDerWaalsContact O-CG 3.23Å; C323-L327 WeakPolarHBondContact O-CG 3.48Å; C323-L327 PolarHBondContact O-N 2.63Å; D324-L327 CarbonylContact O-C 3.56Å; D324-L327 WeakPolarHBondContact O-CA 3.33Å; D324-L327 WeakPolarHBondContact O-CB 3.3Å; D324-L327 PolarHBondContact O-N 3.11Å; E325-L327 VanDerWaalsContact C-N 3.27Å; E325-L327 PolarHBondContact O-N 2.99Å; L327-L329 VanDerWaalsContact C-N 3.33Å; L327-N330 CarbonylContact O-C 3.55Å; L327-N330 VanDerWaalsContact O-C 3.31Å; L327-Q331 VanDerWaalsContact O-CA 3.23Å; L327-Q331 WeakPolarHBondContact O-CA 3.34Å; L327-Q331 WeakPolarHBondContact O-CG 3.27Å; L327-Q331 PolarHBondContact O-N 3.19Å; L327-Q331 VanDerWaalsContact O-N 3.08Å; L327-N333 HydrophobicContact CD2-CB 4.32Å; L327-A336 HydrophobicContact CD1-CB 4.19Å; L327-A336 HydrophobicContact CD2-CB 3.89Å; L327-A336 HydrophobicContact CG-CB 3.69Å; L327-L337 HydrophobicContact CD1-CD2 3.79Å; L327-L337 HydrophobicContact CD1-CG 4.37Å; L327-L337 HydrophobicContact CD2-CD2 3.9Å; L327-L337 HydrophobicContact CD2-CG 3.85Å; L327-R340 VanDerWaalsContact CD1-NH1 3.26Å
328	E	96.8	Very high	97.7	Very high	145 Å²	145	52.7 Å²	52.7	68%	0.678	25%	0.253	S	S	*	.	H	α-helix	trans	-63.5	-43.2	169.3	-73.4	-176.3	-177.8	0	0	110.4	D324 E325	D324-E328 WeakPolarHBondContact O-CG 3.31Å; D324-E328 PolarHBondContact O-N 3.27Å; E325-E328 PolarHBondContact O-N 2.99Å
329	L	94.1	Very high	97.8	Very high	58 Å²	58	51.6 Å²	51.6	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-74.1	-37.8	174.8	-60	179.7	0	0	0	112.8	E296 A299 V300 F303 E325 L327	E296-L329 HydrophobicContact CG-CD2 4.34Å; A299-L329 HydrophobicContact CB-CD1 3.82Å; V300-L329 HydrophobicContact CG2-CB 3.64Å; V300-L329 HydrophobicContact CG2-CD1 3.77Å; V300-L329 HydrophobicContact CG2-CG 4.37Å; F303-L329 HydrophobicContact CD2-CD1 4.18Å; F303-L329 HydrophobicContact CE2-CD1 3.96Å; E325-L329 PolarHBondContact O-N 3.28Å; L327-L329 VanDerWaalsContact C-N 3.33Å
330	N	95.2	Very high	97.8	Very high	69 Å²	69	53.7 Å²	53.7	37%	0.369	25%	0.254	S	S	.	.			trans	-144.4	94.2	179.4	-177.8	-13.9	0	0	0	112	A326 L327 E332 N333	A326-N330 PolarHBondContact O-N 2.78Å; L327-N330 CarbonylContact O-C 3.55Å; L327-N330 VanDerWaalsContact O-C 3.31Å; N330-E332 PolarHBondContact O-N 3.02Å; N330-E332 VanDerWaalsContact O-N 3.08Å; N330-E332 PolarHBondContact OD1-N 3.17Å; N330-E332 VanDerWaalsContact OD1-N 3.13Å; N330-N333 HydrophobicContact CB-CB 4.26Å; N330-N333 VanDerWaalsContact O-CB 3.27Å; N330-N333 WeakPolarHBondContact O-CB 3.25Å; N330-N333 PolarHBondContact O-N 2.9Å; N330-N333 PolarHBondContact OD1-N 3.02Å
331	Q	95.7	Very high	97.8	Very high	133 Å²	133	53.6 Å²	53.6	62%	0.621	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.2	-175.5	-64.4	-176.4	21.8	0	0	114.9	L327 K359	L327-Q331 VanDerWaalsContact O-CA 3.23Å; L327-Q331 WeakPolarHBondContact O-CA 3.34Å; L327-Q331 WeakPolarHBondContact O-CG 3.27Å; L327-Q331 PolarHBondContact O-N 3.19Å; L327-Q331 VanDerWaalsContact O-N 3.08Å; Q331-K359 WeakPolarHBondContact O-CE 3.33Å; Q331-K359 PolarHBondContact O-NZ 3.42Å
332	E	96.1	Very high	97.8	Very high	136 Å²	136	51.8 Å²	51.8	64%	0.636	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	9	-179.7	-60.9	-168.8	160.8	0	0	112.5	N330 T334 I363	N330-E332 PolarHBondContact O-N 3.02Å; N330-E332 VanDerWaalsContact O-N 3.08Å; N330-E332 PolarHBondContact OD1-N 3.17Å; N330-E332 VanDerWaalsContact OD1-N 3.13Å; E332-T334 PolarHBondContact O-N 3.38Å; E332-I363 HydrophobicContact CB-CD1 4.04Å; E332-I363 HydrophobicContact CG-CD1 4.41Å
333	N	98.1	Very high	97.8	Very high	23 Å²	23	51.4 Å²	51.4	12%	0.123	24%	0.243	C	C	.	.			trans	-68.9	101.2	179.6	-164.3	-66.3	0	0	0	111.8	L327 N330 K335 A336 L337	L327-N333 HydrophobicContact CD2-CB 4.32Å; N330-N333 HydrophobicContact CB-CB 4.26Å; N330-N333 VanDerWaalsContact O-CB 3.27Å; N330-N333 WeakPolarHBondContact O-CB 3.25Å; N330-N333 PolarHBondContact O-N 2.9Å; N330-N333 PolarHBondContact OD1-N 3.02Å; N333-K335 VanDerWaalsContact C-N 3.28Å; N333-K335 PolarHBondContact O-N 3.2Å; N333-K335 WeakPolarHBondContact OD1-CB 3.13Å; N333-K335 PolarHBondContact OD1-N 3.35Å; N333-A336 HydrophobicContact CB-CB 4.04Å; N333-A336 PolarHBondContact O-N 2.85Å; N333-A336 PolarHBondContact OD1-N 2.94Å; N333-L337 PolarHBondContact O-N 3.15Å; N333-L337 VanDerWaalsContact O-N 3.1Å
334	T	98	Very high	97.8	Very high	37 Å²	37	53.4 Å²	53.4	23%	0.227	25%	0.25	C	S	.	.	H	α-helix	trans	-63.1	-31.4	-177.9	55.8	0	0	0	0	113.3	E332 F338 I363 A364	E332-T334 PolarHBondContact O-N 3.38Å; T334-F338 WeakPolarHBondContact O-CB 3.32Å; T334-F338 PolarHBondContact O-N 2.84Å; T334-I363 HydrophobicContact CG2-CB 3.76Å; T334-I363 HydrophobicContact CG2-CD1 4.4Å; T334-I363 HydrophobicContact CG2-CG2 3.56Å; T334-A364 HydrophobicContact CG2-CB 4.05Å
335	K	98.2	Very high	97.8	Very high	130 Å²	130	52.5 Å²	52.5	57%	0.565	24%	0.244	S	C	*	.	H	α-helix	trans	-68.1	-40.5	176.4	-68.4	177.9	-178.7	170.8	0	111.6	L304 N333 R339	L304-K335 HydrophobicContact CD1-CB 4.29Å; L304-K335 HydrophobicContact CD1-CD 4.44Å; L304-K335 HydrophobicContact CD2-CB 3.94Å; N333-K335 VanDerWaalsContact C-N 3.28Å; N333-K335 PolarHBondContact O-N 3.2Å; N333-K335 WeakPolarHBondContact OD1-CB 3.13Å; N333-K335 PolarHBondContact OD1-N 3.35Å; K335-R339 WeakPolarHBondContact O-CB 3.48Å; K335-R339 VanDerWaalsContact O-CG 3.29Å; K335-R339 WeakPolarHBondContact O-CG 3.31Å; K335-R339 PolarHBondContact O-N 2.82Å
336	A	98.6	Very high	97.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-49.3	176.3	0	0	0	0	0	110.7	L304 A326 L327 N333 F338 R339 R340	L304-A336 HydrophobicContact CD2-CB 3.75Å; A326-A336 HydrophobicContact CB-CB 3.98Å; L327-A336 HydrophobicContact CD1-CB 4.19Å; L327-A336 HydrophobicContact CD2-CB 3.89Å; L327-A336 HydrophobicContact CG-CB 3.69Å; N333-A336 HydrophobicContact CB-CB 4.04Å; N333-A336 PolarHBondContact O-N 2.85Å; N333-A336 PolarHBondContact OD1-N 2.94Å; A336-F338 VanDerWaalsContact C-N 3.31Å; A336-F338 PolarHBondContact O-N 3.39Å; A336-R339 PolarHBondContact O-N 3.32Å; A336-R340 VanDerWaalsContact O-CB 3.31Å; A336-R340 WeakPolarHBondContact O-CB 3.15Å; A336-R340 PolarHBondContact O-N 3.27Å
337	L	98.8	Very high	97.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.7	-44.4	175.9	-67.5	170.2	0	0	0	112.2	L327 N333 R340 A341 K359 A360 I363	L327-L337 HydrophobicContact CD1-CD2 3.79Å; L327-L337 HydrophobicContact CD1-CG 4.37Å; L327-L337 HydrophobicContact CD2-CD2 3.9Å; L327-L337 HydrophobicContact CD2-CG 3.85Å; N333-L337 PolarHBondContact O-N 3.15Å; N333-L337 VanDerWaalsContact O-N 3.1Å; L337-R340 PolarHBondContact O-N 3.49Å; L337-A341 WeakPolarHBondContact O-CB 3.44Å; L337-A341 PolarHBondContact O-N 2.82Å; L337-K359 HydrophobicContact CD1-CB 4.08Å; L337-K359 HydrophobicContact CD1-CD 3.93Å; L337-K359 HydrophobicContact CD1-CG 3.81Å; L337-K359 HydrophobicContact CD2-CD 3.91Å; L337-A360 HydrophobicContact CB-CB 3.8Å; L337-A360 HydrophobicContact CD1-CB 4.01Å; L337-I363 HydrophobicContact CD1-CD1 3.83Å
338	F	98.7	Very high	97.6	Very high	39 Å²	39	59.1 Å²	59.1	17%	0.171	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-46.3	178.6	-175.8	-93	0	0	0	112.1	T334 A336 A341 Q342 L357 A369 I370 E373	T334-F338 WeakPolarHBondContact O-CB 3.32Å; T334-F338 PolarHBondContact O-N 2.84Å; A336-F338 VanDerWaalsContact C-N 3.31Å; A336-F338 PolarHBondContact O-N 3.39Å; F338-A341 WeakPolarHBondContact O-CB 3.37Å; F338-A341 PolarHBondContact O-N 3.19Å; F338-Q342 HydrophobicContact CE1-CG 4.27Å; F338-Q342 WeakPolarHBondContact O-CG 3.42Å; F338-Q342 PolarHBondContact O-N 3.36Å; F338-Q342 VanDerWaalsContact O-N 3.13Å; F338-L357 HydrophobicContact CD2-CD2 3.73Å; F338-L357 HydrophobicContact CE2-CD2 4.21Å; F338-A369 HydrophobicContact CE2-CB 4.33Å; F338-A369 HydrophobicContact CZ-CB 4.36Å; F338-I370 HydrophobicContact CD2-CG1 3.9Å; F338-I370 HydrophobicContact CE2-CG1 4.46Å; F338-E373 HydrophobicContact CE2-CB 3.57Å; F338-E373 HydrophobicContact CE2-CG 3.87Å; F338-E373 HydrophobicContact CZ-CB 4.07Å; F338-E373 HydrophobicContact CZ-CG 4.06Å
339	R	98.7	Very high	97.6	Very high	55 Å²	55	56.2 Å²	56.2	21%	0.208	27%	0.268	C	S	.	.	H	α-helix	trans	-67.8	-38.9	178.6	-73.7	174.2	-178.2	171.4	1.4	112	L304 A307 L311 K335 A336 A341 Q342 A343	L304-R339 PolarHBondContact O-NH1 2.9Å; A307-R339 HydrophobicContact CB-CB 4.48Å; L311-R339 HydrophobicContact CD1-CB 3.84Å; L311-R339 HydrophobicContact CD1-CG 3.89Å; K335-R339 WeakPolarHBondContact O-CB 3.48Å; K335-R339 VanDerWaalsContact O-CG 3.29Å; K335-R339 WeakPolarHBondContact O-CG 3.31Å; K335-R339 PolarHBondContact O-N 2.82Å; A336-R339 PolarHBondContact O-N 3.32Å; R339-A341 VanDerWaalsContact C-N 3.31Å; R339-A341 PolarHBondContact O-N 2.99Å; R339-Q342 WeakPolarHBondContact O-CB 3.48Å; R339-Q342 PolarHBondContact O-N 3.48Å; R339-Q342 VanDerWaalsContact O-N 3.09Å; R339-A343 PolarHBondContact O-N 3.31Å
340	R	98.7	Very high	97.8	Very high	43 Å²	43	55 Å²	55	16%	0.162	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-41.7	174.6	-157.5	171.1	63	-177.1	-1.8	111.2	L320 C323 D324 L327 A336 L337 Q342 A343 W344 D356	L320-R340 HydrophobicContact CD2-CB 4.5Å; L320-R340 HydrophobicContact CD2-CG 3.42Å; L320-R340 VanDerWaalsContact CD2-CG 3.42Å; C323-R340 HydrophobicContact CB-CB 3.63Å; C323-R340 HydrophobicContact CB-CG 3.86Å; C323-R340 PolarHBondContact SG-N 2.9Å; C323-R340 VanDerWaalsContact SG-N 3.43Å; D324-R340 WeakPolarHBondContact OD1-CD 3.47Å; D324-R340 IonicContact OD1-CZ 3.99Å; D324-R340 IonicContact OD1-NE 3.65Å; D324-R340 IonicContact OD1-NH1 3.45Å; D324-R340 PolarHBondContact OD1-NH1 3.05Å; L327-R340 VanDerWaalsContact CD1-NH1 3.26Å; A336-R340 VanDerWaalsContact O-CB 3.31Å; A336-R340 WeakPolarHBondContact O-CB 3.15Å; A336-R340 PolarHBondContact O-N 3.27Å; L337-R340 PolarHBondContact O-N 3.49Å; R340-Q342 VanDerWaalsContact C-N 3.32Å; R340-Q342 PolarHBondContact O-N 2.79Å; R340-A343 PolarHBondContact O-N 2.89Å; R340-W344 VanDerWaalsContact O-CD1 3.24Å; R340-W344 PolarHBondContact O-N 3.07Å; R340-D356 IonicContact CZ-OD1 3.53Å; R340-D356 IonicContact CZ-OD2 3.55Å; R340-D356 IonicContact NE-OD1 3.68Å; R340-D356 PolarHBondContact NE-OD1 2.95Å; R340-D356 IonicContact NE-OD2 2.7Å; R340-D356 PolarHBondContact NE-OD2 3.14Å; R340-D356 IonicContact NH2-OD1 3.48Å; R340-D356 PolarHBondContact NH2-OD1 3.03Å; R340-D356 IonicContact NH2-OD2 3.66Å
341	A	98.7	Very high	97.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-37.3	172.7	0	0	0	0	0	113.3	L337 F338 R339 W344 Q345 A353 D356 L357	L337-A341 WeakPolarHBondContact O-CB 3.44Å; L337-A341 PolarHBondContact O-N 2.82Å; F338-A341 WeakPolarHBondContact O-CB 3.37Å; F338-A341 PolarHBondContact O-N 3.19Å; R339-A341 VanDerWaalsContact C-N 3.31Å; R339-A341 PolarHBondContact O-N 2.99Å; A341-W344 PolarHBondContact O-N 3.1Å; A341-Q345 VanDerWaalsContact O-CG 3.32Å; A341-Q345 WeakPolarHBondContact O-CG 3.35Å; A341-Q345 PolarHBondContact O-N 2.96Å; A341-A353 HydrophobicContact CB-CB 4.2Å; A341-A353 WeakPolarHBondContact CB-O 3.29Å; A341-A353 WeakPolarHBondContact O-CB 3.22Å; A341-D356 HydrophobicContact CB-CB 4.01Å; A341-L357 HydrophobicContact CB-CD1 4.11Å; A341-L357 HydrophobicContact CB-CD2 3.9Å; A341-L357 HydrophobicContact CB-CG 3.58Å
342	Q	98.6	Very high	98.1	Very high	60 Å²	60	55.7 Å²	55.7	28%	0.28	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-39.9	174.1	-67.2	178.8	-47.4	0	0	112	L311 F338 R339 R340 Q345 G346	L311-Q342 HydrophobicContact CD1-CB 4.17Å; L311-Q342 HydrophobicContact CD2-CB 3.9Å; F338-Q342 HydrophobicContact CE1-CG 4.27Å; F338-Q342 WeakPolarHBondContact O-CG 3.42Å; F338-Q342 PolarHBondContact O-N 3.36Å; F338-Q342 VanDerWaalsContact O-N 3.13Å; R339-Q342 WeakPolarHBondContact O-CB 3.48Å; R339-Q342 PolarHBondContact O-N 3.48Å; R339-Q342 VanDerWaalsContact O-N 3.09Å; R340-Q342 VanDerWaalsContact C-N 3.32Å; R340-Q342 PolarHBondContact O-N 2.79Å; Q342-Q345 WeakPolarHBondContact O-CB 3.32Å; Q342-Q345 PolarHBondContact O-N 3.42Å; Q342-G346 PolarHBondContact O-N 2.92Å; Q342-G346 VanDerWaalsContact O-N 3.13Å
343	A	98.6	Very high	98.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.7	-42.9	175.7	0	0	0	0	0	112.1	L311 A319 L320 R339 R340 Q345 G346 L347	L311-A343 HydrophobicContact CD2-CB 3.94Å; A319-A343 HydrophobicContact CB-CB 3.92Å; L320-A343 HydrophobicContact CD2-CB 3.65Å; L320-A343 HydrophobicContact CG-CB 3.78Å; R339-A343 PolarHBondContact O-N 3.31Å; R340-A343 PolarHBondContact O-N 2.89Å; A343-Q345 VanDerWaalsContact C-N 3.28Å; A343-Q345 PolarHBondContact O-N 3.19Å; A343-G346 WeakPolarHBondContact O-CA 3.42Å; A343-G346 PolarHBondContact O-N 3.5Å; A343-L347 PolarHBondContact O-N 3.08Å
344	W	98.6	Very high	98.2	Very high	42 Å²	42	49.2 Å²	49.2	16%	0.159	23%	0.233	C	C	.	.	H	α-helix	trans	-57.7	-39.3	172.3	-72.8	132.2	0	0	0	112.8	L320 R340 A341 G346 L347 K348 E349 K352 A353 D356	L320-W344 HydrophobicContact CD1-CD2 4.13Å; L320-W344 HydrophobicContact CD1-CE3 3.66Å; L320-W344 HydrophobicContact CD1-CH2 3.45Å; L320-W344 VanDerWaalsContact CD1-CH2 3.45Å; L320-W344 HydrophobicContact CD1-CZ2 3.96Å; L320-W344 HydrophobicContact CD1-CZ3 3.29Å; L320-W344 HydrophobicContact CD2-CD2 3.57Å; L320-W344 VanDerWaalsContact CD2-CE2 3.42Å; L320-W344 HydrophobicContact CD2-CE3 4Å; L320-W344 HydrophobicContact CD2-CG 3.98Å; L320-W344 HydrophobicContact CD2-CH2 4.09Å; L320-W344 HydrophobicContact CD2-CZ2 3.7Å; L320-W344 HydrophobicContact CD2-CZ3 4.24Å; L320-W344 HydrophobicContact CG-CE3 4.48Å; L320-W344 HydrophobicContact CG-CH2 4.35Å; L320-W344 HydrophobicContact CG-CZ2 4.4Å; L320-W344 HydrophobicContact CG-CZ3 4.41Å; R340-W344 VanDerWaalsContact O-CD1 3.24Å; R340-W344 PolarHBondContact O-N 3.07Å; A341-W344 PolarHBondContact O-N 3.1Å; W344-G346 VanDerWaalsContact C-N 3.32Å; W344-G346 PolarHBondContact O-N 3.21Å; W344-L347 HydrophobicContact CE3-CD1 4.04Å; W344-L347 HydrophobicContact CZ3-CD1 3.99Å; W344-L347 CarbonylContact O-C 3.36Å; W344-L347 PolarHBondContact O-N 2.9Å; W344-K348 PolarHBondContact O-N 3.01Å; W344-E349 HydrophobicContact CB-CB 4.27Å; W344-E349 HydrophobicContact CD2-CB 4.39Å; W344-E349 HydrophobicContact CE3-CB 3.8Å; W344-E349 HydrophobicContact CE3-CG 4.08Å; W344-E349 HydrophobicContact CZ3-CG 4.48Å; W344-E349 PolarHBondContact O-N 3.28Å; W344-K352 HydrophobicContact CB-CB 4.37Å; W344-K352 HydrophobicContact CD2-CB 3.85Å; W344-K352 HydrophobicContact CD2-CD 3.9Å; W344-K352 HydrophobicContact CE3-CB 4.47Å; W344-K352 HydrophobicContact CE3-CD 3.81Å; W344-K352 HydrophobicContact CG-CB 3.77Å; W344-K352 HydrophobicContact CH2-CD 3.97Å; W344-K352 HydrophobicContact CZ2-CD 4.02Å; W344-K352 HydrophobicContact CZ3-CD 3.85Å; W344-A353 HydrophobicContact CB-CB 3.78Å; W344-D356 VanDerWaalsContact CD1-OD2 3.29Å; W344-D356 PolarHBondContact NE1-OD2 3.43Å
345	Q	98.1	Very high	98.2	Very high	34 Å²	34	49.3 Å²	49.3	16%	0.159	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-39.1	173.4	-72.5	178.2	82.4	0	0	112.3	A341 Q342 A343 L347 K348 Y350 A353 E373 V377	A341-Q345 VanDerWaalsContact O-CG 3.32Å; A341-Q345 WeakPolarHBondContact O-CG 3.35Å; A341-Q345 PolarHBondContact O-N 2.96Å; Q342-Q345 WeakPolarHBondContact O-CB 3.32Å; Q342-Q345 PolarHBondContact O-N 3.42Å; A343-Q345 VanDerWaalsContact C-N 3.28Å; A343-Q345 PolarHBondContact O-N 3.19Å; Q345-L347 VanDerWaalsContact C-N 3.28Å; Q345-L347 PolarHBondContact O-N 2.85Å; Q345-K348 PolarHBondContact O-N 3.31Å; Q345-Y350 HydrophobicContact CB-CD1 4.49Å; Q345-Y350 HydrophobicContact CB-CE1 4.27Å; Q345-Y350 HydrophobicContact CG-CD1 4.15Å; Q345-Y350 HydrophobicContact CG-CE1 4.33Å; Q345-A353 HydrophobicContact CG-CB 3.88Å; Q345-E373 PolarHBondContact NE2-OE1 3.36Å; Q345-V377 HydrophobicContact CG-CG2 3.73Å
346	G	97.3	Very high	98.2	Very high	28 Å²	28	43.8 Å²	43.8	29%	0.289	22%	0.218	S	C	.	.	H	α-helix	trans	-59.9	-38.1	173.7	0	0	0	0	0	112.7	Q342 A343 W344 K348	Q342-G346 PolarHBondContact O-N 2.92Å; Q342-G346 VanDerWaalsContact O-N 3.13Å; A343-G346 WeakPolarHBondContact O-CA 3.42Å; A343-G346 PolarHBondContact O-N 3.5Å; W344-G346 VanDerWaalsContact C-N 3.32Å; W344-G346 PolarHBondContact O-N 3.21Å; G346-K348 VanDerWaalsContact C-N 3.27Å; G346-K348 PolarHBondContact O-N 2.96Å
347	L	97.5	Very high	98.2	Very high	67 Å²	67	43.8 Å²	43.8	35%	0.351	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	0.7	173.2	-63.5	-179.8	0	0	0	114.4	W316 L320 A343 W344 Q345 E349	W316-L347 HydrophobicContact CB-CD1 4.43Å; W316-L347 HydrophobicContact CB-CD2 3.78Å; W316-L347 HydrophobicContact CB-CG 3.79Å; W316-L347 HydrophobicContact CG-CD2 4.23Å; W316-L347 HydrophobicContact CG-CG 4.41Å; L320-L347 HydrophobicContact CD1-CD1 3.53Å; A343-L347 PolarHBondContact O-N 3.08Å; W344-L347 HydrophobicContact CE3-CD1 4.04Å; W344-L347 HydrophobicContact CZ3-CD1 3.99Å; W344-L347 CarbonylContact O-C 3.36Å; W344-L347 PolarHBondContact O-N 2.9Å; Q345-L347 VanDerWaalsContact C-N 3.28Å; Q345-L347 PolarHBondContact O-N 2.85Å; L347-E349 HydrophobicContact CB-CG 4.23Å; L347-E349 PolarHBondContact O-N 3.15Å
348	K	96.6	Very high	98.2	Very high	142 Å²	142	49.6 Å²	49.6	62%	0.617	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	20.2	-174.7	-51	176.4	-177.3	170.7	0	114.4	W344 Q345 G346 Y350	W344-K348 PolarHBondContact O-N 3.01Å; Q345-K348 PolarHBondContact O-N 3.31Å; G346-K348 VanDerWaalsContact C-N 3.27Å; G346-K348 PolarHBondContact O-N 2.96Å; K348-Y350 HydrophobicContact CB-CE2 4.01Å; K348-Y350 WeakPolarHBondContact O-CD2 3.17Å; K348-Y350 PolarHBondContact O-N 3.16Å
349	E	97.8	Very high	98.2	Very high	85 Å²	85	52 Å²	52	40%	0.397	25%	0.254	S	S	.	.			trans	-85.6	59.5	175	-71.7	-69.7	151.4	0	0	110.6	W344 L347 N351 K352 A353	W344-E349 HydrophobicContact CB-CB 4.27Å; W344-E349 HydrophobicContact CD2-CB 4.39Å; W344-E349 HydrophobicContact CE3-CB 3.8Å; W344-E349 HydrophobicContact CE3-CG 4.08Å; W344-E349 HydrophobicContact CZ3-CG 4.48Å; W344-E349 PolarHBondContact O-N 3.28Å; L347-E349 HydrophobicContact CB-CG 4.23Å; L347-E349 PolarHBondContact O-N 3.15Å; E349-N351 VanDerWaalsContact C-N 3.27Å; E349-N351 PolarHBondContact O-N 3.22Å; E349-K352 HydrophobicContact CB-CB 4.32Å; E349-K352 HydrophobicContact CB-CD 4.05Å; E349-K352 HydrophobicContact CB-CG 4.32Å; E349-K352 HydrophobicContact CG-CD 4.36Å; E349-K352 WeakPolarHBondContact O-CB 3.42Å; E349-K352 PolarHBondContact O-N 2.87Å; E349-K352 VanDerWaalsContact O-N 3.07Å; E349-K352 VanDerWaalsContact OE2-CE 3.29Å; E349-K352 WeakPolarHBondContact OE2-CE 3.22Å; E349-K352 IonicContact OE2-NZ 2.77Å; E349-A353 PolarHBondContact O-N 3.37Å; E349-A353 VanDerWaalsContact O-N 3.11Å
350	Y	98	Very high	98.2	Very high	32 Å²	32	49.4 Å²	49.4	13%	0.125	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-29.1	-168.2	-59.9	-62.2	0	0	0	114.3	Q345 K348 A353 L354 V377 K380 I381 E384	Q345-Y350 HydrophobicContact CB-CD1 4.49Å; Q345-Y350 HydrophobicContact CB-CE1 4.27Å; Q345-Y350 HydrophobicContact CG-CD1 4.15Å; Q345-Y350 HydrophobicContact CG-CE1 4.33Å; K348-Y350 HydrophobicContact CB-CE2 4.01Å; K348-Y350 WeakPolarHBondContact O-CD2 3.17Å; K348-Y350 PolarHBondContact O-N 3.16Å; Y350-A353 PolarHBondContact O-N 3.38Å; Y350-L354 WeakPolarHBondContact O-CB 3.25Å; Y350-L354 PolarHBondContact O-N 3.43Å; Y350-V377 WeakPolarHBondContact O-CG1 3.47Å; Y350-K380 HydrophobicContact CD1-CB 3.97Å; Y350-K380 HydrophobicContact CD2-CB 4.38Å; Y350-K380 HydrophobicContact CE1-CB 3.92Å; Y350-K380 HydrophobicContact CE1-CG 4.15Å; Y350-K380 HydrophobicContact CE2-CB 4.31Å; Y350-K380 HydrophobicContact CG-CB 4.22Å; Y350-I381 VanDerWaalsContact CB-CG1 3.45Å; Y350-I381 HydrophobicContact CG-CG1 4.39Å; Y350-E384 HydrophobicContact CD2-CG 4.41Å; Y350-E384 VanDerWaalsContact CD2-OE2 3.29Å; Y350-E384 WeakPolarHBondContact CD2-OE2 3.46Å; Y350-E384 VanDerWaalsContact CE2-CD 3.45Å; Y350-E384 HydrophobicContact CE2-CG 4.18Å; Y350-E384 WeakPolarHBondContact CE2-OE1 3.22Å
351	N	97.3	Very high	98.1	Very high	118 Å²	118	50.5 Å²	50.5	63%	0.631	25%	0.251	S	S	*	.	H	α-helix	trans	-67.1	-39.5	175.8	-69.6	-54.8	0	0	0	111.9	E349 L354 G355	E349-N351 VanDerWaalsContact C-N 3.27Å; E349-N351 PolarHBondContact O-N 3.22Å; N351-L354 PolarHBondContact O-N 3.41Å; N351-G355 PolarHBondContact O-N 3.24Å
352	K	98.3	Very high	98.1	Very high	99 Å²	99	53.6 Å²	53.6	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-45.3	174.7	-62.3	-176.6	-174.2	167.8	0	110.6	W344 E349 L354 G355 D356	W344-K352 HydrophobicContact CB-CB 4.37Å; W344-K352 HydrophobicContact CD2-CB 3.85Å; W344-K352 HydrophobicContact CD2-CD 3.9Å; W344-K352 HydrophobicContact CE3-CB 4.47Å; W344-K352 HydrophobicContact CE3-CD 3.81Å; W344-K352 HydrophobicContact CG-CB 3.77Å; W344-K352 HydrophobicContact CH2-CD 3.97Å; W344-K352 HydrophobicContact CZ2-CD 4.02Å; W344-K352 HydrophobicContact CZ3-CD 3.85Å; E349-K352 HydrophobicContact CB-CB 4.32Å; E349-K352 HydrophobicContact CB-CD 4.05Å; E349-K352 HydrophobicContact CB-CG 4.32Å; E349-K352 HydrophobicContact CG-CD 4.36Å; E349-K352 WeakPolarHBondContact O-CB 3.42Å; E349-K352 PolarHBondContact O-N 2.87Å; E349-K352 VanDerWaalsContact O-N 3.07Å; E349-K352 VanDerWaalsContact OE2-CE 3.29Å; E349-K352 WeakPolarHBondContact OE2-CE 3.22Å; E349-K352 IonicContact OE2-NZ 2.77Å; K352-L354 VanDerWaalsContact C-N 3.31Å; K352-L354 PolarHBondContact O-N 3.27Å; K352-G355 WeakPolarHBondContact O-CA 3.36Å; K352-G355 PolarHBondContact O-N 3.5Å; K352-D356 PolarHBondContact O-N 2.78Å
353	A	98.6	Very high	98	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-55.3	-44.9	175	0	0	0	0	0	112.4	A341 W344 Q345 E349 Y350 G355 D356 L357 V377	A341-A353 HydrophobicContact CB-CB 4.2Å; A341-A353 WeakPolarHBondContact CB-O 3.29Å; A341-A353 WeakPolarHBondContact O-CB 3.22Å; W344-A353 HydrophobicContact CB-CB 3.78Å; Q345-A353 HydrophobicContact CG-CB 3.88Å; E349-A353 PolarHBondContact O-N 3.37Å; E349-A353 VanDerWaalsContact O-N 3.11Å; Y350-A353 PolarHBondContact O-N 3.38Å; A353-G355 VanDerWaalsContact C-N 3.33Å; A353-G355 PolarHBondContact O-N 3.39Å; A353-D356 PolarHBondContact O-N 2.7Å; A353-L357 WeakPolarHBondContact O-CG 3.4Å; A353-L357 PolarHBondContact O-N 3.15Å; A353-V377 HydrophobicContact CB-CG1 4.15Å; A353-V377 HydrophobicContact CB-CG2 4.35Å
354	L	98.4	Very high	97.9	Very high	22 Å²	22	55 Å²	55	12%	0.115	30%	0.295	C	S	.	.	H	α-helix	trans	-66.1	-35.4	177.5	-175.8	61.5	0	0	0	112.3	Y350 N351 K352 K358 M374 V377 Q378 I381	Y350-L354 WeakPolarHBondContact O-CB 3.25Å; Y350-L354 PolarHBondContact O-N 3.43Å; N351-L354 PolarHBondContact O-N 3.41Å; K352-L354 VanDerWaalsContact C-N 3.31Å; K352-L354 PolarHBondContact O-N 3.27Å; L354-K358 HydrophobicContact CD1-CG 4.48Å; L354-K358 HydrophobicContact CG-CD 4.42Å; L354-K358 WeakPolarHBondContact O-CB 3.45Å; L354-K358 VanDerWaalsContact O-CG 3.29Å; L354-K358 WeakPolarHBondContact O-CG 3.37Å; L354-K358 PolarHBondContact O-N 3.07Å; L354-M374 HydrophobicContact CD1-CE 4.18Å; L354-V377 HydrophobicContact CB-CG1 4.01Å; L354-Q378 HydrophobicContact CD1-CG 3.98Å; L354-Q378 HydrophobicContact CD2-CG 4.37Å; L354-I381 HydrophobicContact CB-CD1 4.24Å; L354-I381 HydrophobicContact CD2-CD1 3.9Å
355	G	98.4	Very high	97.9	Very high	39 Å²	39	57 Å²	57	40%	0.402	31%	0.313	S	S	.	.	H	α-helix	trans	-59.3	-50.5	174.2	0	0	0	0	0	112.1	N351 K352 A353 L357 K358 K359	N351-G355 PolarHBondContact O-N 3.24Å; K352-G355 WeakPolarHBondContact O-CA 3.36Å; K352-G355 PolarHBondContact O-N 3.5Å; A353-G355 VanDerWaalsContact C-N 3.33Å; A353-G355 PolarHBondContact O-N 3.39Å; G355-L357 PolarHBondContact O-N 3.08Å; G355-K358 PolarHBondContact O-N 3.27Å; G355-K359 PolarHBondContact O-N 3.16Å; G355-K359 VanDerWaalsContact O-N 3.08Å
356	D	98.6	Very high	97.8	Very high	15 Å²	15	63.8 Å²	63.8	8%	0.08	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-44.1	178.2	-79.1	-17.3	0	0	0	112.2	R340 A341 W344 K352 A353 K358 K359 A360	R340-D356 IonicContact CZ-OD1 3.53Å; R340-D356 IonicContact CZ-OD2 3.55Å; R340-D356 IonicContact NE-OD1 3.68Å; R340-D356 PolarHBondContact NE-OD1 2.95Å; R340-D356 IonicContact NE-OD2 2.7Å; R340-D356 PolarHBondContact NE-OD2 3.14Å; R340-D356 IonicContact NH2-OD1 3.48Å; R340-D356 PolarHBondContact NH2-OD1 3.03Å; R340-D356 IonicContact NH2-OD2 3.66Å; A341-D356 HydrophobicContact CB-CB 4.01Å; W344-D356 VanDerWaalsContact CD1-OD2 3.29Å; W344-D356 PolarHBondContact NE1-OD2 3.43Å; K352-D356 PolarHBondContact O-N 2.78Å; A353-D356 PolarHBondContact O-N 2.7Å; D356-K358 VanDerWaalsContact C-N 3.35Å; D356-K358 PolarHBondContact O-N 3.47Å; D356-K359 PolarHBondContact O-N 3.14Å; D356-A360 WeakPolarHBondContact O-CB 3.39Å; D356-A360 PolarHBondContact O-N 3.18Å
357	L	98.6	Very high	97.8	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-67.1	-34.4	179	-67.9	166.4	0	0	0	112.8	F338 A341 A353 G355 A360 Q361 I370 E373 M374 V377	F338-L357 HydrophobicContact CD2-CD2 3.73Å; F338-L357 HydrophobicContact CE2-CD2 4.21Å; A341-L357 HydrophobicContact CB-CD1 4.11Å; A341-L357 HydrophobicContact CB-CD2 3.9Å; A341-L357 HydrophobicContact CB-CG 3.58Å; A353-L357 WeakPolarHBondContact O-CG 3.4Å; A353-L357 PolarHBondContact O-N 3.15Å; G355-L357 PolarHBondContact O-N 3.08Å; L357-A360 PolarHBondContact O-N 2.71Å; L357-Q361 WeakPolarHBondContact O-CB 3.27Å; L357-Q361 PolarHBondContact O-N 3.24Å; L357-I370 HydrophobicContact CD2-CG2 4.3Å; L357-E373 HydrophobicContact CD1-CB 4.36Å; L357-E373 HydrophobicContact CD1-CG 4.17Å; L357-E373 HydrophobicContact CD2-CB 4.23Å; L357-E373 HydrophobicContact CD2-CG 4.29Å; L357-M374 HydrophobicContact CB-CG 3.33Å; L357-M374 HydrophobicContact CB-SD 4.04Å; L357-M374 HydrophobicContact CD1-CG 3.87Å; L357-M374 HydrophobicContact CG-CG 4.09Å; L357-V377 HydrophobicContact CD1-CB 4.4Å; L357-V377 HydrophobicContact CD1-CG2 3.78Å
358	K	98.3	Very high	97.8	Very high	121 Å²	121	70.1 Å²	70.1	53%	0.526	36%	0.364	S	S	.	.	H	α-helix	trans	-63.8	-43.3	172.5	-79.2	176.4	177.8	-179.9	0	111.4	L354 G355 D356 A360 Q361 G362 M374	L354-K358 HydrophobicContact CD1-CG 4.48Å; L354-K358 HydrophobicContact CG-CD 4.42Å; L354-K358 WeakPolarHBondContact O-CB 3.45Å; L354-K358 VanDerWaalsContact O-CG 3.29Å; L354-K358 WeakPolarHBondContact O-CG 3.37Å; L354-K358 PolarHBondContact O-N 3.07Å; G355-K358 PolarHBondContact O-N 3.27Å; D356-K358 VanDerWaalsContact C-N 3.35Å; D356-K358 PolarHBondContact O-N 3.47Å; K358-A360 VanDerWaalsContact C-N 3.33Å; K358-Q361 PolarHBondContact O-N 3.49Å; K358-G362 PolarHBondContact O-N 3.34Å; K358-M374 HydrophobicContact CG-CE 3.66Å
359	K	98.3	Very high	97.8	Very high	91 Å²	91	65.8 Å²	65.8	40%	0.396	36%	0.355	S	S	.	.	H	α-helix	trans	-60.6	-46.4	174.6	-171.3	-179.6	178.7	-168	0	110.2	Q331 L337 G355 D356 Q361 G362 I363	Q331-K359 WeakPolarHBondContact O-CE 3.33Å; Q331-K359 PolarHBondContact O-NZ 3.42Å; L337-K359 HydrophobicContact CD1-CB 4.08Å; L337-K359 HydrophobicContact CD1-CD 3.93Å; L337-K359 HydrophobicContact CD1-CG 3.81Å; L337-K359 HydrophobicContact CD2-CD 3.91Å; G355-K359 PolarHBondContact O-N 3.16Å; G355-K359 VanDerWaalsContact O-N 3.08Å; D356-K359 PolarHBondContact O-N 3.14Å; K359-Q361 PolarHBondContact O-N 2.97Å; K359-G362 PolarHBondContact O-N 2.77Å; K359-I363 HydrophobicContact CG-CD1 4.35Å; K359-I363 WeakPolarHBondContact O-CG1 3.42Å; K359-I363 PolarHBondContact O-N 3.44Å
360	A	98.2	Very high	97.8	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.4	-41.5	178.6	0	0	0	0	0	112.5	L337 D356 L357 K358 G362 I363 A364 I370	L337-A360 HydrophobicContact CB-CB 3.8Å; L337-A360 HydrophobicContact CD1-CB 4.01Å; D356-A360 WeakPolarHBondContact O-CB 3.39Å; D356-A360 PolarHBondContact O-N 3.18Å; L357-A360 PolarHBondContact O-N 2.71Å; K358-A360 VanDerWaalsContact C-N 3.33Å; A360-G362 VanDerWaalsContact C-N 3.34Å; A360-I363 PolarHBondContact O-N 3.42Å; A360-A364 PolarHBondContact O-N 2.9Å; A360-I370 HydrophobicContact CB-CD1 3.77Å; A360-I370 HydrophobicContact CB-CG1 4.48Å; A360-I370 HydrophobicContact CB-CG2 4.28Å
361	Q	98.1	Very high	97.8	Very high	66 Å²	66	62.5 Å²	62.5	31%	0.308	34%	0.342	S	S	.	.	H	α-helix	trans	-65.3	-36.1	175.3	-173.2	-178.3	38.3	0	0	111.9	L357 K358 K359 I363 A364 P365 I370 M374	L357-Q361 WeakPolarHBondContact O-CB 3.27Å; L357-Q361 PolarHBondContact O-N 3.24Å; K358-Q361 PolarHBondContact O-N 3.49Å; K359-Q361 PolarHBondContact O-N 2.97Å; Q361-I363 PolarHBondContact O-N 3.09Å; Q361-A364 CarbonylContact O-C 3.46Å; Q361-A364 VanDerWaalsContact O-C 3.24Å; Q361-A364 PolarHBondContact O-N 2.87Å; Q361-P365 WeakPolarHBondContact O-CA 3.08Å; Q361-P365 WeakPolarHBondContact O-CG 3.41Å; Q361-I370 HydrophobicContact CB-CG2 3.93Å; Q361-M374 HydrophobicContact CB-SD 3.86Å; Q361-M374 HydrophobicContact CG-SD 4.3Å; Q361-M374 PolarHBondContact OE1-SD 3Å; Q361-M374 VanDerWaalsContact OE1-SD 3.39Å
362	G	97.9	Very high	97.8	Very high	64 Å²	64	61 Å²	61	66%	0.66	33%	0.334	S	S	*	.	H	α-helix	trans	-59.7	-34.3	174.5	0	0	0	0	0	112.8	K358 K359 A360	K358-G362 PolarHBondContact O-N 3.34Å; K359-G362 PolarHBondContact O-N 2.77Å; A360-G362 VanDerWaalsContact C-N 3.34Å
363	I	97.6	Very high	97.8	Very high	64 Å²	64	57.1 Å²	57.1	33%	0.328	32%	0.317	S	S	.	.	H	α-helix	trans	-84.1	-39.8	179.1	-59.3	156.4	0	0	0	111.3	E332 T334 L337 K359 A360 Q361	E332-I363 HydrophobicContact CB-CD1 4.04Å; E332-I363 HydrophobicContact CG-CD1 4.41Å; T334-I363 HydrophobicContact CG2-CB 3.76Å; T334-I363 HydrophobicContact CG2-CD1 4.4Å; T334-I363 HydrophobicContact CG2-CG2 3.56Å; L337-I363 HydrophobicContact CD1-CD1 3.83Å; K359-I363 HydrophobicContact CG-CD1 4.35Å; K359-I363 WeakPolarHBondContact O-CG1 3.42Å; K359-I363 PolarHBondContact O-N 3.44Å; A360-I363 PolarHBondContact O-N 3.42Å; Q361-I363 PolarHBondContact O-N 3.09Å
364	A	96.6	Very high	97.8	Very high	26 Å²	26	57.7 Å²	57.7	22%	0.215	32%	0.32	C	S	.	.			trans	-126.5	78.9	178.8	0	0	0	0	0	111.8	T334 A360 Q361 E366 D367 I370	T334-A364 HydrophobicContact CG2-CB 4.05Å; A360-A364 PolarHBondContact O-N 2.9Å; Q361-A364 CarbonylContact O-C 3.46Å; Q361-A364 VanDerWaalsContact O-C 3.24Å; Q361-A364 PolarHBondContact O-N 2.87Å; A364-E366 VanDerWaalsContact C-N 3.27Å; A364-E366 PolarHBondContact O-N 3.49Å; A364-D367 HydrophobicContact CB-CB 4.11Å; A364-D367 PolarHBondContact O-N 3.05Å; A364-I370 HydrophobicContact CB-CD1 4.26Å
365	P	96.9	Very high	97.7	Very high	83 Å²	83	62.6 Å²	62.6	54%	0.539	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.2	-170.9	-24.8	34.9	0	0	0	115.3	Q361	Q361-P365 WeakPolarHBondContact O-CA 3.08Å; Q361-P365 WeakPolarHBondContact O-CG 3.41Å
366	E	96.7	Very high	97.7	Very high	178 Å²	178	66.4 Å²	66.4	83%	0.832	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	0.3	-175.6	-59	-170.8	169.7	0	0	113.5	A364 K368	A364-E366 VanDerWaalsContact C-N 3.27Å; A364-E366 PolarHBondContact O-N 3.49Å; E366-K368 PolarHBondContact O-N 3.16Å
367	D	97.2	Very high	97.6	Very high	62 Å²	62	65.7 Å²	65.7	33%	0.332	34%	0.342	S	S	.	.			trans	-69.5	108	-178.5	-169.6	-50	0	0	0	110.9	A364 A369 I370 I371	A364-D367 HydrophobicContact CB-CB 4.11Å; A364-D367 PolarHBondContact O-N 3.05Å; D367-A369 VanDerWaalsContact C-N 3.26Å; D367-A369 PolarHBondContact O-N 2.94Å; D367-A369 WeakPolarHBondContact OD1-CA 3.46Å; D367-A369 VanDerWaalsContact OD1-CB 3.25Å; D367-A369 WeakPolarHBondContact OD1-CB 3.42Å; D367-A369 PolarHBondContact OD1-N 2.84Å; D367-I370 HydrophobicContact CB-CB 4.19Å; D367-I370 HydrophobicContact CB-CD1 3.77Å; D367-I370 HydrophobicContact CB-CG1 3.93Å; D367-I370 PolarHBondContact O-N 3.04Å; D367-I370 PolarHBondContact OD1-N 2.77Å; D367-I370 VanDerWaalsContact OD1-N 3.13Å; D367-I371 VanDerWaalsContact O-CG1 3.31Å; D367-I371 WeakPolarHBondContact O-CG1 3.27Å; D367-I371 PolarHBondContact O-N 2.8Å
368	K	97.6	Very high	97.6	Very high	165 Å²	165	70 Å²	70	72%	0.717	36%	0.362	S	S	*	.	H	α-helix	trans	-62.6	-30.9	-178.9	-66.1	-176.7	-178.7	175.9	0	112.8	E366 N372	E366-K368 PolarHBondContact O-N 3.16Å; K368-N372 VanDerWaalsContact O-CB 3.24Å; K368-N372 WeakPolarHBondContact O-CB 3.13Å; K368-N372 PolarHBondContact O-N 2.92Å; K368-N372 PolarHBondContact O-ND2 3.36Å
369	A	97.2	Very high	97.5	Very high	51 Å²	51	69.2 Å²	69.2	42%	0.421	36%	0.363	S	S	.	.	H	α-helix	trans	-68.1	-46.5	178.5	0	0	0	0	0	110.1	F338 D367 N372 E373	F338-A369 HydrophobicContact CE2-CB 4.33Å; F338-A369 HydrophobicContact CZ-CB 4.36Å; D367-A369 VanDerWaalsContact C-N 3.26Å; D367-A369 PolarHBondContact O-N 2.94Å; D367-A369 WeakPolarHBondContact OD1-CA 3.46Å; D367-A369 VanDerWaalsContact OD1-CB 3.25Å; D367-A369 WeakPolarHBondContact OD1-CB 3.42Å; D367-A369 PolarHBondContact OD1-N 2.84Å; A369-N372 PolarHBondContact O-N 2.76Å; A369-E373 VanDerWaalsContact O-CB 3.32Å; A369-E373 WeakPolarHBondContact O-CB 3.33Å; A369-E373 PolarHBondContact O-N 2.91Å
370	I	98	Very high	97.4	Very high	3 Å²	3	68.8 Å²	68.8	2%	0.015	36%	0.362	C	S	.	.	H	α-helix	trans	-60	-50.5	176.4	-60.4	176.6	0	0	0	110.3	F338 L357 A360 Q361 A364 D367 N372 E373 M374	F338-I370 HydrophobicContact CD2-CG1 3.9Å; F338-I370 HydrophobicContact CE2-CG1 4.46Å; L357-I370 HydrophobicContact CD2-CG2 4.3Å; A360-I370 HydrophobicContact CB-CD1 3.77Å; A360-I370 HydrophobicContact CB-CG1 4.48Å; A360-I370 HydrophobicContact CB-CG2 4.28Å; Q361-I370 HydrophobicContact CB-CG2 3.93Å; A364-I370 HydrophobicContact CB-CD1 4.26Å; D367-I370 HydrophobicContact CB-CB 4.19Å; D367-I370 HydrophobicContact CB-CD1 3.77Å; D367-I370 HydrophobicContact CB-CG1 3.93Å; D367-I370 PolarHBondContact O-N 3.04Å; D367-I370 PolarHBondContact OD1-N 2.77Å; D367-I370 VanDerWaalsContact OD1-N 3.13Å; I370-N372 VanDerWaalsContact C-N 3.32Å; I370-N372 PolarHBondContact O-N 3.16Å; I370-E373 PolarHBondContact O-N 3.38Å; I370-M374 HydrophobicContact CG2-CG 4.41Å; I370-M374 HydrophobicContact CG2-SD 4.06Å; I370-M374 VanDerWaalsContact O-CG 3.31Å; I370-M374 WeakPolarHBondContact O-CG 3.44Å; I370-M374 PolarHBondContact O-N 3.3Å
371	I	97.9	Very high	97.4	Very high	46 Å²	46	69.6 Å²	69.6	24%	0.236	37%	0.366	C	S	.	.	H	α-helix	trans	-58.2	-45.3	-179.3	-66.2	164.7	0	0	0	111.3	D367 K375	D367-I371 VanDerWaalsContact O-CG1 3.31Å; D367-I371 WeakPolarHBondContact O-CG1 3.27Å; D367-I371 PolarHBondContact O-N 2.8Å; I371-K375 WeakPolarHBondContact O-CG 3.36Å; I371-K375 PolarHBondContact O-N 3.33Å
372	N	97.7	Very high	97.2	Very high	85 Å²	85	70.5 Å²	70.5	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-68.9	-39	-178.8	-72.4	-24.2	0	0	0	111.8	K368 A369 I370 K375 K376	K368-N372 VanDerWaalsContact O-CB 3.24Å; K368-N372 WeakPolarHBondContact O-CB 3.13Å; K368-N372 PolarHBondContact O-N 2.92Å; K368-N372 PolarHBondContact O-ND2 3.36Å; A369-N372 PolarHBondContact O-N 2.76Å; I370-N372 VanDerWaalsContact C-N 3.32Å; I370-N372 PolarHBondContact O-N 3.16Å; N372-K375 PolarHBondContact O-N 2.94Å; N372-K376 WeakPolarHBondContact O-CG 3.42Å; N372-K376 PolarHBondContact O-N 2.81Å
373	E	97.9	Very high	97.1	Very high	19 Å²	19	70.5 Å²	70.5	9%	0.089	35%	0.353	C	S	.	.	H	α-helix	trans	-66.8	-40.3	177.5	-160.3	66.2	-169.4	0	0	111.5	F338 Q345 L357 A369 I370 K375 K376 V377	F338-E373 HydrophobicContact CE2-CB 3.57Å; F338-E373 HydrophobicContact CE2-CG 3.87Å; F338-E373 HydrophobicContact CZ-CB 4.07Å; F338-E373 HydrophobicContact CZ-CG 4.06Å; Q345-E373 PolarHBondContact NE2-OE1 3.36Å; L357-E373 HydrophobicContact CD1-CB 4.36Å; L357-E373 HydrophobicContact CD1-CG 4.17Å; L357-E373 HydrophobicContact CD2-CB 4.23Å; L357-E373 HydrophobicContact CD2-CG 4.29Å; A369-E373 VanDerWaalsContact O-CB 3.32Å; A369-E373 WeakPolarHBondContact O-CB 3.33Å; A369-E373 PolarHBondContact O-N 2.91Å; I370-E373 PolarHBondContact O-N 3.38Å; E373-K375 VanDerWaalsContact C-N 3.32Å; E373-K375 PolarHBondContact O-N 2.87Å; E373-K376 WeakPolarHBondContact O-CB 3.44Å; E373-K376 PolarHBondContact O-N 3.03Å; E373-K376 VanDerWaalsContact O-N 3.12Å; E373-K376 WeakPolarHBondContact OE2-CD 3.46Å; E373-K376 IonicContact OE2-NZ 2.82Å; E373-K376 PolarHBondContact OE2-NZ 2.79Å; E373-V377 WeakPolarHBondContact O-CG2 3.31Å; E373-V377 PolarHBondContact O-N 2.91Å
374	M	97.4	Very high	96.9	Very high	11 Å²	11	70.9 Å²	70.9	5%	0.054	35%	0.353	C	S	.	.	H	α-helix	trans	-56.3	-44.7	173.4	-75.4	179.3	72.2	0	0	112.4	L354 L357 K358 Q361 I370 K376 V377 Q378	L354-M374 HydrophobicContact CD1-CE 4.18Å; L357-M374 HydrophobicContact CB-CG 3.33Å; L357-M374 HydrophobicContact CB-SD 4.04Å; L357-M374 HydrophobicContact CD1-CG 3.87Å; L357-M374 HydrophobicContact CG-CG 4.09Å; K358-M374 HydrophobicContact CG-CE 3.66Å; Q361-M374 HydrophobicContact CB-SD 3.86Å; Q361-M374 HydrophobicContact CG-SD 4.3Å; Q361-M374 PolarHBondContact OE1-SD 3Å; Q361-M374 VanDerWaalsContact OE1-SD 3.39Å; I370-M374 HydrophobicContact CG2-CG 4.41Å; I370-M374 HydrophobicContact CG2-SD 4.06Å; I370-M374 VanDerWaalsContact O-CG 3.31Å; I370-M374 WeakPolarHBondContact O-CG 3.44Å; I370-M374 PolarHBondContact O-N 3.3Å; M374-K376 VanDerWaalsContact C-N 3.3Å; M374-K376 PolarHBondContact O-N 3.01Å; M374-V377 PolarHBondContact O-N 2.9Å; M374-Q378 WeakPolarHBondContact O-CB 3.25Å; M374-Q378 VanDerWaalsContact O-CG 3.26Å; M374-Q378 WeakPolarHBondContact O-CG 3.49Å; M374-Q378 PolarHBondContact O-N 2.86Å
375	K	97.3	Very high	96.7	Very high	126 Å²	126	74.5 Å²	74.5	55%	0.548	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-40.3	177.8	-71.4	174.4	-176.7	175.9	0	111.6	I371 N372 E373 L379	I371-K375 WeakPolarHBondContact O-CG 3.36Å; I371-K375 PolarHBondContact O-N 3.33Å; N372-K375 PolarHBondContact O-N 2.94Å; E373-K375 VanDerWaalsContact C-N 3.32Å; E373-K375 PolarHBondContact O-N 2.87Å; K375-L379 PolarHBondContact O-N 3.47Å
376	K	97.3	Very high	96.6	Very high	118 Å²	118	74.5 Å²	74.5	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-46.3	176	-65	174.9	-166.1	162.6	0	111.6	N372 E373 M374 Q378 L379 K380	N372-K376 WeakPolarHBondContact O-CG 3.42Å; N372-K376 PolarHBondContact O-N 2.81Å; E373-K376 WeakPolarHBondContact O-CB 3.44Å; E373-K376 PolarHBondContact O-N 3.03Å; E373-K376 VanDerWaalsContact O-N 3.12Å; E373-K376 WeakPolarHBondContact OE2-CD 3.46Å; E373-K376 IonicContact OE2-NZ 2.82Å; E373-K376 PolarHBondContact OE2-NZ 2.79Å; M374-K376 VanDerWaalsContact C-N 3.3Å; M374-K376 PolarHBondContact O-N 3.01Å; K376-Q378 PolarHBondContact O-N 3.01Å; K376-L379 PolarHBondContact O-N 3.36Å; K376-K380 PolarHBondContact O-N 3.42Å
377	V	97.8	Very high	96.4	Very high	0 Å²	0	72 Å²	72	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.1	-43.1	178.9	176.1	0	0	0	0	111.1	Q345 Y350 A353 L354 L357 E373 M374 L379 K380 I381	Q345-V377 HydrophobicContact CG-CG2 3.73Å; Y350-V377 WeakPolarHBondContact O-CG1 3.47Å; A353-V377 HydrophobicContact CB-CG1 4.15Å; A353-V377 HydrophobicContact CB-CG2 4.35Å; L354-V377 HydrophobicContact CB-CG1 4.01Å; L357-V377 HydrophobicContact CD1-CB 4.4Å; L357-V377 HydrophobicContact CD1-CG2 3.78Å; E373-V377 WeakPolarHBondContact O-CG2 3.31Å; E373-V377 PolarHBondContact O-N 2.91Å; M374-V377 PolarHBondContact O-N 2.9Å; V377-L379 VanDerWaalsContact C-N 3.32Å; V377-L379 PolarHBondContact O-N 2.88Å; V377-K380 WeakPolarHBondContact O-CB 3.39Å; V377-K380 PolarHBondContact O-N 3.42Å; V377-K380 VanDerWaalsContact O-N 3.15Å; V377-I381 HydrophobicContact CG1-CD1 4.05Å; V377-I381 WeakPolarHBondContact O-CG1 3.21Å; V377-I381 PolarHBondContact O-N 3.18Å
378	Q	97.6	Very high	96.1	Very high	91 Å²	91	75 Å²	75	43%	0.425	36%	0.355	S	S	.	.	H	α-helix	trans	-59.9	-41.9	176.3	-74.7	172.4	-10.4	0	0	112.2	L354 M374 K376 K380 I381 Q382	L354-Q378 HydrophobicContact CD1-CG 3.98Å; L354-Q378 HydrophobicContact CD2-CG 4.37Å; M374-Q378 WeakPolarHBondContact O-CB 3.25Å; M374-Q378 VanDerWaalsContact O-CG 3.26Å; M374-Q378 WeakPolarHBondContact O-CG 3.49Å; M374-Q378 PolarHBondContact O-N 2.86Å; K376-Q378 PolarHBondContact O-N 3.01Å; Q378-K380 VanDerWaalsContact C-N 3.35Å; Q378-I381 PolarHBondContact O-N 2.8Å; Q378-Q382 PolarHBondContact O-N 3.16Å; Q378-Q382 VanDerWaalsContact O-N 3.09Å
379	L	97	Very high	95.9	Very high	104 Å²	104	74 Å²	74	55%	0.545	35%	0.351	S	S	.	.	H	α-helix	trans	-62.1	-42.7	175	-175.3	65.5	0	0	0	111.2	K375 K376 V377 I381 Q382 E383	K375-L379 PolarHBondContact O-N 3.47Å; K376-L379 PolarHBondContact O-N 3.36Å; V377-L379 VanDerWaalsContact C-N 3.32Å; V377-L379 PolarHBondContact O-N 2.88Å; L379-I381 PolarHBondContact O-N 3.05Å; L379-Q382 WeakPolarHBondContact O-CB 3.24Å; L379-Q382 PolarHBondContact O-N 3.04Å; L379-E383 WeakPolarHBondContact O-CG 3.24Å; L379-E383 PolarHBondContact O-N 3.08Å
380	K	96.6	Very high	95.8	Very high	83 Å²	83	78.1 Å²	78.1	36%	0.361	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-44.2	176.8	-73.7	-74.3	162.5	-149.1	0	112.9	Y350 K376 V377 Q378 Q382 E383 E384	Y350-K380 HydrophobicContact CD1-CB 3.97Å; Y350-K380 HydrophobicContact CD2-CB 4.38Å; Y350-K380 HydrophobicContact CE1-CB 3.92Å; Y350-K380 HydrophobicContact CE1-CG 4.15Å; Y350-K380 HydrophobicContact CE2-CB 4.31Å; Y350-K380 HydrophobicContact CG-CB 4.22Å; K376-K380 PolarHBondContact O-N 3.42Å; V377-K380 WeakPolarHBondContact O-CB 3.39Å; V377-K380 PolarHBondContact O-N 3.42Å; V377-K380 VanDerWaalsContact O-N 3.15Å; Q378-K380 VanDerWaalsContact C-N 3.35Å; K380-Q382 VanDerWaalsContact C-N 3.27Å; K380-Q382 PolarHBondContact O-N 3.18Å; K380-E383 IonicContact NZ-OE1 2.97Å; K380-E383 IonicContact NZ-OE2 3.79Å; K380-E383 PolarHBondContact NZ-OE2 3.09Å; K380-E383 PolarHBondContact O-N 3.05Å; K380-E384 PolarHBondContact O-N 3.4Å
381	I	96.3	Very high	95.5	Very high	17 Å²	17	82.4 Å²	82.4	9%	0.087	38%	0.381	C	S	.	.	H	α-helix	trans	-59.3	-41.6	175.3	-67	167.6	0	0	0	110.7	Y350 L354 V377 Q378 L379 E384 K385	Y350-I381 VanDerWaalsContact CB-CG1 3.45Å; Y350-I381 HydrophobicContact CG-CG1 4.39Å; L354-I381 HydrophobicContact CB-CD1 4.24Å; L354-I381 HydrophobicContact CD2-CD1 3.9Å; V377-I381 HydrophobicContact CG1-CD1 4.05Å; V377-I381 WeakPolarHBondContact O-CG1 3.21Å; V377-I381 PolarHBondContact O-N 3.18Å; Q378-I381 PolarHBondContact O-N 2.8Å; L379-I381 PolarHBondContact O-N 3.05Å; I381-E384 PolarHBondContact O-N 3.35Å; I381-K385 HydrophobicContact CG2-CD 4.25Å; I381-K385 WeakPolarHBondContact O-CG 3.37Å; I381-K385 PolarHBondContact O-N 2.91Å; I381-K385 VanDerWaalsContact O-N 3.11Å
382	Q	95.7	Very high	95.2	Very high	85 Å²	85	87.5 Å²	87.5	40%	0.397	40%	0.398	S	S	.	.	H	α-helix	trans	-66.3	-43.8	178.2	-177	59.7	27.7	0	0	111.7	Q378 L379 K380 E384 K385 E386	Q378-Q382 PolarHBondContact O-N 3.16Å; Q378-Q382 VanDerWaalsContact O-N 3.09Å; L379-Q382 WeakPolarHBondContact O-CB 3.24Å; L379-Q382 PolarHBondContact O-N 3.04Å; K380-Q382 VanDerWaalsContact C-N 3.27Å; K380-Q382 PolarHBondContact O-N 3.18Å; Q382-E384 VanDerWaalsContact C-N 3.32Å; Q382-E384 PolarHBondContact O-N 2.97Å; Q382-K385 PolarHBondContact O-N 3.21Å; Q382-E386 PolarHBondContact NE2-OE1 3.42Å; Q382-E386 WeakPolarHBondContact O-CG 3.41Å; Q382-E386 PolarHBondContact O-N 3.1Å
383	E	94.9	Very high	94.9	Very high	64 Å²	64	86.4 Å²	86.4	30%	0.299	40%	0.402	S	S	.	.	H	α-helix	trans	-58.5	-41	175.5	-73.1	174.1	-179.7	0	0	112.2	L379 K380 E386 K387	L379-E383 WeakPolarHBondContact O-CG 3.24Å; L379-E383 PolarHBondContact O-N 3.08Å; K380-E383 IonicContact NZ-OE1 2.97Å; K380-E383 IonicContact NZ-OE2 3.79Å; K380-E383 PolarHBondContact NZ-OE2 3.09Å; K380-E383 PolarHBondContact O-N 3.05Å; E383-E386 PolarHBondContact O-N 3.05Å; E383-K387 WeakPolarHBondContact O-CG 3.28Å; E383-K387 PolarHBondContact O-N 2.79Å
384	E	92.8	Very high	94.5	Very high	71 Å²	71	93.5 Å²	93.5	33%	0.332	43%	0.432	S	S	.	.	H	α-helix	trans	-66.7	-46.8	177.2	-73.2	-159.8	145.1	0	0	112.3	Y350 K380 I381 Q382 E386 K387 E388	Y350-E384 HydrophobicContact CD2-CG 4.41Å; Y350-E384 VanDerWaalsContact CD2-OE2 3.29Å; Y350-E384 WeakPolarHBondContact CD2-OE2 3.46Å; Y350-E384 VanDerWaalsContact CE2-CD 3.45Å; Y350-E384 HydrophobicContact CE2-CG 4.18Å; Y350-E384 WeakPolarHBondContact CE2-OE1 3.22Å; K380-E384 PolarHBondContact O-N 3.4Å; I381-E384 PolarHBondContact O-N 3.35Å; Q382-E384 VanDerWaalsContact C-N 3.32Å; Q382-E384 PolarHBondContact O-N 2.97Å; E384-E386 PolarHBondContact O-N 3.19Å; E384-K387 WeakPolarHBondContact O-CB 3.28Å; E384-K387 PolarHBondContact O-N 2.61Å; E384-E388 WeakPolarHBondContact O-CG 3.3Å; E384-E388 PolarHBondContact O-N 3.43Å
385	K	93.3	Very high	94	Very high	103 Å²	103	99.7 Å²	99.7	45%	0.448	46%	0.462	S	S	.	.	H	α-helix	trans	-57.5	-38.6	175.7	-74	176.1	179.2	178.8	0	112.2	I381 Q382 K389	I381-K385 HydrophobicContact CG2-CD 4.25Å; I381-K385 WeakPolarHBondContact O-CG 3.37Å; I381-K385 PolarHBondContact O-N 2.91Å; I381-K385 VanDerWaalsContact O-N 3.11Å; Q382-K385 PolarHBondContact O-N 3.21Å; K385-K389 WeakPolarHBondContact O-CB 3.45Å; K385-K389 VanDerWaalsContact O-CG 3.23Å; K385-K389 WeakPolarHBondContact O-CG 3.43Å; K385-K389 PolarHBondContact O-N 3.22Å
386	E	94.5	Very high	93.3	Very high	83 Å²	83	100.6 Å²	100.6	39%	0.388	47%	0.467	S	S	.	.	H	α-helix	trans	-69.1	-37.4	176.6	-74.9	176.7	-165.8	0	0	112.7	Q382 E383 E384 K390	Q382-E386 PolarHBondContact NE2-OE1 3.42Å; Q382-E386 WeakPolarHBondContact O-CG 3.41Å; Q382-E386 PolarHBondContact O-N 3.1Å; E383-E386 PolarHBondContact O-N 3.05Å; E384-E386 PolarHBondContact O-N 3.19Å; E386-K390 VanDerWaalsContact O-CG 3.32Å; E386-K390 WeakPolarHBondContact O-CG 3.45Å; E386-K390 PolarHBondContact O-N 3.11Å; E386-K390 VanDerWaalsContact O-N 3.09Å
387	K	92.7	Very high	91.9	Very high	126 Å²	126	101.5 Å²	101.5	55%	0.548	50%	0.496	S	S	.	.	H	α-helix	trans	-65.1	-46.9	173.8	-73.9	172.7	-175.2	174.3	0	111.3	E383 E384 K389 K390 I391	E383-K387 WeakPolarHBondContact O-CG 3.28Å; E383-K387 PolarHBondContact O-N 2.79Å; E384-K387 WeakPolarHBondContact O-CB 3.28Å; E384-K387 PolarHBondContact O-N 2.61Å; K387-K389 VanDerWaalsContact C-N 3.35Å; K387-K389 PolarHBondContact O-N 2.95Å; K387-K390 PolarHBondContact O-N 2.86Å; K387-K390 VanDerWaalsContact O-N 3.15Å; K387-I391 WeakPolarHBondContact O-CG1 3.42Å; K387-I391 PolarHBondContact O-N 2.8Å
388	E	91.4	Very high	91.7	Very high	125 Å²	125	106.6 Å²	106.6	58%	0.584	52%	0.521	S	S	*	.	H	α-helix	trans	-57.8	-46.9	176.7	-72.2	175.4	171.3	0	0	111.5	E384 K390 I391 Y392	E384-E388 WeakPolarHBondContact O-CG 3.3Å; E384-E388 PolarHBondContact O-N 3.43Å; E388-K390 VanDerWaalsContact C-N 3.31Å; E388-K390 PolarHBondContact O-N 2.64Å; E388-I391 PolarHBondContact O-N 3.25Å; E388-Y392 WeakPolarHBondContact O-CB 3.29Å; E388-Y392 PolarHBondContact O-N 3.05Å
389	K	93.2	Very high	91.3	Very high	143 Å²	143	107.4 Å²	107.4	62%	0.622	53%	0.526	S	S	*	.	H	α-helix	trans	-56.9	-43.5	175.1	-77	176	-177.2	-175.8	0	112.3	K385 K387 A393	K385-K389 WeakPolarHBondContact O-CB 3.45Å; K385-K389 VanDerWaalsContact O-CG 3.23Å; K385-K389 WeakPolarHBondContact O-CG 3.43Å; K385-K389 PolarHBondContact O-N 3.22Å; K387-K389 VanDerWaalsContact C-N 3.35Å; K387-K389 PolarHBondContact O-N 2.95Å; K389-A393 WeakPolarHBondContact O-CB 3.36Å; K389-A393 PolarHBondContact O-N 3.04Å
390	K	93.9	Very high	91	Very high	137 Å²	137	107.6 Å²	107.6	60%	0.596	53%	0.525	S	S	*	.	H	α-helix	trans	-67.1	-37.9	178	-73.9	173.2	-174.4	174.4	0	112.3	E386 K387 E388 K394	E386-K390 VanDerWaalsContact O-CG 3.32Å; E386-K390 WeakPolarHBondContact O-CG 3.45Å; E386-K390 PolarHBondContact O-N 3.11Å; E386-K390 VanDerWaalsContact O-N 3.09Å; K387-K390 PolarHBondContact O-N 2.86Å; K387-K390 VanDerWaalsContact O-N 3.15Å; E388-K390 VanDerWaalsContact C-N 3.31Å; E388-K390 PolarHBondContact O-N 2.64Å; K390-K394 WeakPolarHBondContact O-CG 3.38Å; K390-K394 PolarHBondContact O-N 3.47Å
391	I	92.6	Very high	90.7	Very high	94 Å²	94	109.1 Å²	109.1	48%	0.482	54%	0.535	S	S	.	.	H	α-helix	trans	-65.3	-49.2	176	-69.2	166.7	0	0	0	109.7	K387 E388 A393 K394 M395	K387-I391 WeakPolarHBondContact O-CG1 3.42Å; K387-I391 PolarHBondContact O-N 2.8Å; E388-I391 PolarHBondContact O-N 3.25Å; I391-A393 PolarHBondContact O-N 2.96Å; I391-K394 PolarHBondContact O-N 2.82Å; I391-K394 VanDerWaalsContact O-N 3.11Å; I391-M395 HydrophobicContact CG2-CE 3.76Å; I391-M395 HydrophobicContact CG2-SD 4.17Å; I391-M395 PolarHBondContact O-N 3.45Å; I391-M395 VanDerWaalsContact O-N 3.09Å
392	Y	91.5	Very high	90.3	Very high	152 Å²	152	114.8 Å²	114.8	60%	0.596	56%	0.563	S	S	*	*	H	α-helix	trans	-58.2	-48.3	177.9	-166.1	-87.8	0	0	0	111	E388 K394 M395 F396	E388-Y392 WeakPolarHBondContact O-CB 3.29Å; E388-Y392 PolarHBondContact O-N 3.05Å; Y392-K394 PolarHBondContact O-N 3.34Å; Y392-K394 VanDerWaalsContact O-N 3.15Å; Y392-M395 PolarHBondContact O-N 3.38Å; Y392-F396 AromaticContact CD1-CD2 3.71Å; Y392-F396 HydrophobicContact CD1-CD2 3.71Å; Y392-F396 AromaticContact CD1-CE2 3.88Å; Y392-F396 HydrophobicContact CD1-CE2 3.88Å; Y392-F396 HydrophobicContact CD2-CD2 4.33Å; Y392-F396 AromaticContact CD2-CE2 3.73Å; Y392-F396 HydrophobicContact CD2-CE2 3.73Å; Y392-F396 AromaticContact CE1-CD2 3.46Å; Y392-F396 HydrophobicContact CE1-CD2 3.46Å; Y392-F396 VanDerWaalsContact CE1-CD2 3.46Å; Y392-F396 AromaticContact CE1-CE2 3.46Å; Y392-F396 HydrophobicContact CE1-CE2 3.46Å; Y392-F396 VanDerWaalsContact CE1-CE2 3.46Å; Y392-F396 HydrophobicContact CE1-CG 4.44Å; Y392-F396 HydrophobicContact CE1-CZ 4.38Å; Y392-F396 HydrophobicContact CE2-CD2 4.14Å; Y392-F396 AromaticContact CE2-CE2 3.31Å; Y392-F396 HydrophobicContact CE2-CE2 3.31Å; Y392-F396 HydrophobicContact CE2-CZ 4.01Å; Y392-F396 HydrophobicContact CG-CD2 4.13Å; Y392-F396 HydrophobicContact CG-CE2 4Å; Y392-F396 AromaticContact CZ-CD2 3.7Å; Y392-F396 AromaticContact CZ-CE2 3.14Å; Y392-F396 AromaticContact CZ-CZ 3.78Å; Y392-F396 VanDerWaalsContact O-CD2 3.29Å; Y392-F396 WeakPolarHBondContact O-CD2 3.47Å; Y392-F396 PolarHBondContact O-N 3.22Å
393	A	91.6	Very high	90	Very high	63 Å²	63	116.8 Å²	116.8	52%	0.521	57%	0.574	S	S	.	*	H	α-helix	trans	-57.7	-31.2	177.7	0	0	0	0	0	113.6	K389 I391 A397	K389-A393 WeakPolarHBondContact O-CB 3.36Å; K389-A393 PolarHBondContact O-N 3.04Å; I391-A393 PolarHBondContact O-N 2.96Å; A393-A397 VanDerWaalsContact O-CB 3.32Å; A393-A397 WeakPolarHBondContact O-CB 3.28Å; A393-A397 PolarHBondContact O-N 3.47Å
394	K	89.7	Confident	89.6	Confident	168 Å²	168	120.6 Å²	120.6	73%	0.73	59%	0.594	S	S	*	*	H	α-helix	trans	-80.9	-21.9	175.5	-74.2	-178.7	178.5	-173.5	0	114.3	K390 I391 Y392 F396	K390-K394 WeakPolarHBondContact O-CG 3.38Å; K390-K394 PolarHBondContact O-N 3.47Å; I391-K394 PolarHBondContact O-N 2.82Å; I391-K394 VanDerWaalsContact O-N 3.11Å; Y392-K394 PolarHBondContact O-N 3.34Å; Y392-K394 VanDerWaalsContact O-N 3.15Å; K394-F396 VanDerWaalsContact C-N 3.35Å
395	M	87	Confident	89.4	Confident	140 Å²	140	124.4 Å²	124.4	69%	0.69	61%	0.614	S	S	*	*	H	α-helix	trans	-78.8	-21.4	178	-74.1	178.8	169.6	0	0	112.7	I391 Y392	I391-M395 HydrophobicContact CG2-CE 3.76Å; I391-M395 HydrophobicContact CG2-SD 4.17Å; I391-M395 PolarHBondContact O-N 3.45Å; I391-M395 VanDerWaalsContact O-N 3.09Å; Y392-M395 PolarHBondContact O-N 3.38Å
396	F	82.6	Confident	89.1	Confident	145 Å²	145	126.2 Å²	126.2	64%	0.636	63%	0.628	S	S	*	*			trans	-114.1	8.7	-178.9	-63.2	-81.1	0	0	0	113.8	Y392 K394	Y392-F396 AromaticContact CD1-CD2 3.71Å; Y392-F396 HydrophobicContact CD1-CD2 3.71Å; Y392-F396 AromaticContact CD1-CE2 3.88Å; Y392-F396 HydrophobicContact CD1-CE2 3.88Å; Y392-F396 HydrophobicContact CD2-CD2 4.33Å; Y392-F396 AromaticContact CD2-CE2 3.73Å; Y392-F396 HydrophobicContact CD2-CE2 3.73Å; Y392-F396 AromaticContact CE1-CD2 3.46Å; Y392-F396 HydrophobicContact CE1-CD2 3.46Å; Y392-F396 VanDerWaalsContact CE1-CD2 3.46Å; Y392-F396 AromaticContact CE1-CE2 3.46Å; Y392-F396 HydrophobicContact CE1-CE2 3.46Å; Y392-F396 VanDerWaalsContact CE1-CE2 3.46Å; Y392-F396 HydrophobicContact CE1-CG 4.44Å; Y392-F396 HydrophobicContact CE1-CZ 4.38Å; Y392-F396 HydrophobicContact CE2-CD2 4.14Å; Y392-F396 AromaticContact CE2-CE2 3.31Å; Y392-F396 HydrophobicContact CE2-CE2 3.31Å; Y392-F396 HydrophobicContact CE2-CZ 4.01Å; Y392-F396 HydrophobicContact CG-CD2 4.13Å; Y392-F396 HydrophobicContact CG-CE2 4Å; Y392-F396 AromaticContact CZ-CD2 3.7Å; Y392-F396 AromaticContact CZ-CE2 3.14Å; Y392-F396 AromaticContact CZ-CZ 3.78Å; Y392-F396 VanDerWaalsContact O-CD2 3.29Å; Y392-F396 WeakPolarHBondContact O-CD2 3.47Å; Y392-F396 PolarHBondContact O-N 3.22Å; K394-F396 VanDerWaalsContact C-N 3.35Å
397	A	68.2	Low	88.6	Confident	138 Å²	138	130.1 Å²	130.1	100%	1.141	65%	0.65	S	S	*	*			trans	-107.1	0	169.1	0	0	0	0	0	108.5	A393	A393-A397 VanDerWaalsContact O-CB 3.32Å; A393-A397 WeakPolarHBondContact O-CB 3.28Å; A393-A397 PolarHBondContact O-N 3.47Å

Retrieved 397 of 397 residues in 110.9 ms (Link to these results)

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