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tRNA (guanine-N(7)-)-methyltransferase

Catalyzes the formation of N(7)-methylguanine at position 46 (m7G46) in tRNA.

AlphaFold DB (A0A2K6CT32), UniProt , Accession A0A096MQ97, Species PAPAN (Papio anubis, Olive baboon), Gene METTL1, Length 276 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	40.4	Very low	38	Very low	244 Å²	244	134.3 Å²	134.3	100%	1.202	82%	0.817	S	S	*	*				0	114.1	0	-71.5	-144.5	-81.9	0	0	107
2	A	33.4	Very low	39.9	Very low	103 Å²	103	134.2 Å²	134.2	85%	0.851	80%	0.8	S	S	*	*			trans	-72.2	133.4	-170.2	0	0	0	0	0	110.7
3	A	36	Very low	41.8	Very low	92 Å²	92	130.5 Å²	130.5	76%	0.76	79%	0.793	S	S	*	*			trans	-76.1	116.9	167.8	0	0	0	0	0	108.3	T5	A3-T5 PolarHBondContact O-N 3.47Å; A3-T5 VanDerWaalsContact O-N 3.13Å
4	E	35	Very low	44.3	Very low	169 Å²	169	128.6 Å²	128.6	79%	0.79	79%	0.785	S	S	*	*			trans	-70.9	102.7	171.9	-78.3	177	153.4	0	0	109.4	W6	E4-W6 PolarHBondContact O-N 3.37Å
5	T	34.7	Very low	47	Very low	128 Å²	128	126.3 Å²	126.3	79%	0.785	77%	0.774	S	S	*	*			trans	-73.8	110.1	165.3	50.2	0	0	0	0	108.6	A3 N7	A3-T5 PolarHBondContact O-N 3.47Å; A3-T5 VanDerWaalsContact O-N 3.13Å; T5-N7 PolarHBondContact O-N 3.03Å
6	W	35	Very low	49.8	Very low	217 Å²	217	119.8 Å²	119.8	82%	0.822	73%	0.734	S	S	*	*			trans	-70.3	95.5	169	-72.9	75.5	0	0	0	109	E4 V8	E4-W6 PolarHBondContact O-N 3.37Å; W6-V8 PolarHBondContact O-N 2.95Å
7	N	34.4	Very low	52.1	Low	149 Å²	149	117.8 Å²	117.8	80%	0.797	72%	0.715	S	S	*	*			trans	-81.6	89.2	173.3	-156.8	8.4	0	0	0	108.3	T5 A9	T5-N7 PolarHBondContact O-N 3.03Å; N7-A9 PolarHBondContact O-N 2.9Å
8	V	41.5	Very low	53.9	Low	128 Å²	128	114.7 Å²	114.7	78%	0.776	69%	0.69	S	S	*	*			trans	-80.6	73.5	172.5	-167.7	0	0	0	0	108.2	W6	W6-V8 PolarHBondContact O-N 2.95Å
9	A	40.5	Very low	55.7	Low	75 Å²	75	116.4 Å²	116.4	62%	0.62	68%	0.683	S	S	*	*			trans	-69.4	130.6	162.4	0	0	0	0	0	108.1	N7 A11	N7-A9 PolarHBondContact O-N 2.9Å; A9-A11 PolarHBondContact O-N 3.27Å
10	G	44	Very low	57.4	Low	77 Å²	77	117.9 Å²	117.9	79%	0.794	68%	0.677	S	S	*	*			trans	-50.2	97.1	-170.1	0	0	0	0	0	114.5	E12	G10-E12 PolarHBondContact O-N 3.33Å
11	A	43.2	Very low	59	Low	95 Å²	95	114.7 Å²	114.7	79%	0.785	66%	0.655	S	S	*	*			trans	-71.8	109.6	166.2	0	0	0	0	0	108.1	A9 A13	A9-A11 PolarHBondContact O-N 3.27Å; A11-A13 PolarHBondContact O-N 3.18Å
12	E	61	Low	61.1	Low	133 Å²	133	111.9 Å²	111.9	62%	0.621	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-50.1	123.4	167.3	-75.1	178.1	167.2	0	0	108.9	G10	G10-E12 PolarHBondContact O-N 3.33Å
13	A	64.2	Low	63.8	Low	86 Å²	86	110.8 Å²	110.8	71%	0.711	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-61	132.8	177	0	0	0	0	0	109	A11	A11-A13 PolarHBondContact O-N 3.18Å
14	P	77.4	Confident	66	Low	105 Å²	105	116.8 Å²	116.8	68%	0.682	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-60.8	146	-179	25	-33.7	0	0	0	110.4
15	P	84.5	Confident	68.1	Low	94 Å²	94	111.9 Å²	111.9	61%	0.61	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-58.4	147.3	-179.2	24.4	-34.1	0	0	0	110.9	Q17	P15-Q17 PolarHBondContact O-N 3.16Å
16	P	90.9	Very high	70.2	Confident	21 Å²	21	111.8 Å²	111.8	14%	0.136	59%	0.589	C	S	.	*	P	Polyproline II helix	trans	-62.1	140.4	-176.1	28	-36.7	0	0	0	110.6	Y21 Y115 D118 R119	P16-Y21 HydrophobicContact CB-CE2 3.99Å; P16-Y115 HydrophobicContact CB-CD2 3.9Å; P16-Y115 HydrophobicContact CB-CE2 3.84Å; P16-Y115 HydrophobicContact CG-CD2 4.18Å; P16-Y115 HydrophobicContact CG-CE2 3.9Å; P16-Y115 VanDerWaalsContact O-CE2 3.27Å; P16-Y115 WeakPolarHBondContact O-CE2 3.22Å; P16-D118 HydrophobicContact CB-CB 3.89Å; P16-D118 HydrophobicContact CG-CB 3.81Å; P16-R119 HydrophobicContact CG-CB 3.92Å
17	Q	88.9	Confident	72.5	Confident	87 Å²	87	103 Å²	103	41%	0.407	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-102.4	118.3	-179.7	-59.7	179.4	15.4	0	0	110.6	P15 R19 Y20 Y21	P15-Q17 PolarHBondContact O-N 3.16Å; Q17-R19 HydrophobicContact CB-CG 4.22Å; Q17-R19 PolarHBondContact O-N 3.22Å; Q17-Y20 HydrophobicContact CB-CD2 3.81Å; Q17-Y20 HydrophobicContact CB-CE2 3.92Å; Q17-Y20 HydrophobicContact CG-CE2 4.42Å; Q17-Y20 PolarHBondContact O-N 2.97Å; Q17-Y21 WeakPolarHBondContact O-CD2 3.37Å
18	K	85.9	Confident	75	Confident	61 Å²	61	98.5 Å²	98.5	27%	0.265	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-49.2	-32.7	-176	-67	175.4	-178	157.3	0	114.1	Y20 Y21 R22 Y87 Y115 E239	K18-Y20 PolarHBondContact O-N 3.06Å; K18-Y20 VanDerWaalsContact O-N 3.13Å; K18-Y21 PolarHBondContact O-N 2.92Å; K18-R22 PolarHBondContact O-N 3.33Å; K18-Y87 HydrophobicContact CB-CE1 4.49Å; K18-Y87 HydrophobicContact CD-CD1 4.46Å; K18-Y87 HydrophobicContact CG-CD1 4.18Å; K18-Y87 HydrophobicContact CG-CE1 4.3Å; K18-Y115 HydrophobicContact CB-CE2 4.19Å; K18-Y115 HydrophobicContact CG-CD2 4.26Å; K18-Y115 HydrophobicContact CG-CE1 3.97Å; K18-Y115 HydrophobicContact CG-CE2 3.5Å; K18-Y115 VanDerWaalsContact CG-CE2 3.5Å; K18-Y115 WeakPolarHBondContact CG-OH 3.36Å; K18-E239 IonicContact NZ-OE1 2.78Å; K18-E239 PolarHBondContact NZ-OE1 3.39Å; K18-E239 IonicContact NZ-OE2 2.66Å; K18-E239 PolarHBondContact NZ-OE2 2.87Å
19	R	88.2	Confident	77.1	Confident	147 Å²	147	92.9 Å²	92.9	56%	0.555	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-54.8	-30.8	-179.5	65.3	177.7	172.5	173.7	-2.1	113.4	Q17	Q17-R19 HydrophobicContact CB-CG 4.22Å; Q17-R19 PolarHBondContact O-N 3.22Å
20	Y	89.5	Confident	79.3	Confident	147 Å²	147	93.6 Å²	93.6	58%	0.576	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-84.5	-13.8	-179.9	-57.2	-57.6	0	0	0	113.9	Q17 K18	Q17-Y20 HydrophobicContact CB-CD2 3.81Å; Q17-Y20 HydrophobicContact CB-CE2 3.92Å; Q17-Y20 HydrophobicContact CG-CE2 4.42Å; Q17-Y20 PolarHBondContact O-N 2.97Å; K18-Y20 PolarHBondContact O-N 3.06Å; K18-Y20 VanDerWaalsContact O-N 3.13Å
21	Y	90.8	Very high	81.3	Confident	51 Å²	51	91.4 Å²	91.4	20%	0.2	47%	0.469	C	S	.	.	S	Bend	trans	-112.3	9.6	-174.6	-62.5	-100.5	0	0	0	112.6	P16 Q17 K18 Q23 K111 D114 Y115 D118	P16-Y21 HydrophobicContact CB-CE2 3.99Å; Q17-Y21 WeakPolarHBondContact O-CD2 3.37Å; K18-Y21 PolarHBondContact O-N 2.92Å; Y21-Q23 PolarHBondContact O-N 3.19Å; Y21-K111 WeakPolarHBondContact CB-O 3.46Å; Y21-K111 VanDerWaalsContact CD1-O 3.29Å; Y21-K111 WeakPolarHBondContact CD1-O 3.37Å; Y21-K111 VanDerWaalsContact O-CB 3.3Å; Y21-K111 WeakPolarHBondContact O-CB 3.28Å; Y21-D114 HydrophobicContact CD1-CB 4.26Å; Y21-D114 HydrophobicContact CE1-CB 4.17Å; Y21-Y115 AromaticContact CD2-CD2 3.67Å; Y21-Y115 HydrophobicContact CD2-CD2 3.67Å; Y21-Y115 HydrophobicContact CD2-CG 4.48Å; Y21-Y115 HydrophobicContact CE2-CD2 4.12Å; Y21-Y115 AromaticContact CG-CD2 3.88Å; Y21-Y115 HydrophobicContact CG-CD2 3.88Å; Y21-Y115 HydrophobicContact CG-CG 4.26Å; Y21-D118 PolarHBondContact OH-OD2 2.58Å
22	R	84.4	Confident	83.1	Confident	184 Å²	184	94.6 Å²	94.6	69%	0.694	47%	0.473	S	S	*	.			trans	-60.9	130	-179.6	-71.5	-177.8	176.6	179.6	-0.4	111	K18	K18-R22 PolarHBondContact O-N 3.33Å
23	Q	88.8	Confident	84	Confident	81 Å²	81	91 Å²	91	38%	0.379	46%	0.456	S	S	.	.			trans	-137.1	159.7	172.2	-175.3	167.5	-9.1	0	0	108.9	Y21 A25 K111 V112	Y21-Q23 PolarHBondContact O-N 3.19Å; Q23-A25 PolarHBondContact O-N 2.86Å; Q23-K111 HydrophobicContact CB-CB 4.37Å; Q23-V112 HydrophobicContact CB-CG2 4.38Å
24	R	84.2	Confident	85.1	Confident	218 Å²	218	93.4 Å²	93.4	82%	0.823	46%	0.462	S	S	*	.			trans	-55.8	140.7	174.8	-67.4	-172.8	-170.5	-178.7	3.8	110.3	H26 R109	R24-H26 PolarHBondContact O-N 3.31Å; R24-R109 WeakPolarHBondContact O-CD 3.19Å
25	A	77.9	Confident	85.6	Confident	65 Å²	65	89.3 Å²	89.3	54%	0.537	43%	0.434	S	S	.	.	S	Bend	trans	-61.5	-45.8	-176.4	0	0	0	0	0	111.8	Q23 R109	Q23-A25 PolarHBondContact O-N 2.86Å; A25-R109 PolarHBondContact O-NH1 3.45Å
26	H	79.8	Confident	85.9	Confident	127 Å²	127	96 Å²	96	59%	0.588	45%	0.447	S	S	*	.			trans	-86.8	135.6	-174.9	-47.1	-63.4	0	0	0	111.6	R24 D163	R24-H26 PolarHBondContact O-N 3.31Å; H26-D163 WeakPolarHBondContact CB-OD2 3.48Å; H26-D163 IonicContact CE1-OD1 3.16Å; H26-D163 IonicContact CE1-OD2 2.92Å; H26-D163 IonicContact CG-OD2 3.66Å; H26-D163 VanDerWaalsContact CG-OD2 3.32Å; H26-D163 IonicContact ND1-OD1 3.59Å; H26-D163 PolarHBondContact ND1-OD1 3.33Å; H26-D163 IonicContact ND1-OD2 3.19Å; H26-D163 PolarHBondContact ND1-OD2 2.87Å
27	S	81.9	Confident	86	Confident	31 Å²	31	101 Å²	101	22%	0.217	46%	0.464	C	S	.	.			trans	-121.9	152.1	170.6	-170.2	0	0	0	0	109.4	P29	S27-P29 VanDerWaalsContact O-CD 3.24Å; S27-P29 WeakPolarHBondContact O-CD 3.45Å
28	N	87.2	Confident	86.3	Confident	56 Å²	56	97.5 Å²	97.5	30%	0.299	45%	0.449	S	S	.	.			trans	-85.3	108.3	166.4	176.6	6.9	0	0	0	107.5	M30 A31 H33 W173	N28-M30 PolarHBondContact O-N 3.02Å; N28-M30 WeakPolarHBondContact OD1-CB 3.39Å; N28-M30 PolarHBondContact OD1-N 3.42Å; N28-A31 HydrophobicContact CB-CB 4.1Å; N28-A31 WeakPolarHBondContact O-CB 3.26Å; N28-A31 PolarHBondContact O-N 2.7Å; N28-H33 PolarHBondContact O-NE2 2.84Å; N28-H33 VanDerWaalsContact O-NE2 3.1Å; N28-W173 HydrophobicContact CB-CH2 4.38Å; N28-W173 HydrophobicContact CB-CZ2 4.48Å; N28-W173 VanDerWaalsContact OD1-CE2 3.3Å; N28-W173 PolarHBondContact OD1-NE1 3.45Å
29	P	86.3	Confident	86.8	Confident	9 Å²	9	99.3 Å²	99.3	6%	0.058	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.5	179.6	28.5	-34.8	0	0	0	112.1	S27 N140 M142 K143 W173	S27-P29 VanDerWaalsContact O-CD 3.24Å; S27-P29 WeakPolarHBondContact O-CD 3.45Å; P29-N140 PolarHBondContact O-ND2 2.85Å; P29-M142 HydrophobicContact CB-CE 4.45Å; P29-M142 HydrophobicContact CB-CG 4.38Å; P29-M142 HydrophobicContact CB-SD 3.32Å; P29-M142 WeakPolarHBondContact CB-SD 3.5Å; P29-M142 HydrophobicContact CG-CE 4.12Å; P29-M142 HydrophobicContact CG-SD 3.38Å; P29-M142 WeakPolarHBondContact CG-SD 3.18Å; P29-K143 VanDerWaalsContact O-CE 3.28Å; P29-K143 WeakPolarHBondContact O-CE 3.41Å; P29-W173 HydrophobicContact CG-CB 3.8Å; P29-W173 HydrophobicContact CG-CG 4.09Å
30	M	86.4	Confident	87.2	Confident	90 Å²	90	97.6 Å²	97.6	44%	0.443	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-9	178.8	-58.5	-59.5	175.7	0	0	113.3	N28 M142	N28-M30 PolarHBondContact O-N 3.02Å; N28-M30 WeakPolarHBondContact OD1-CB 3.39Å; N28-M30 PolarHBondContact OD1-N 3.42Å; M30-M142 HydrophobicContact CE-CE 3.81Å
31	A	85.9	Confident	87.5	Confident	32 Å²	32	91.3 Å²	91.3	26%	0.264	44%	0.439	S	S	.	.	S	Bend	trans	-65	157.7	177.5	0	0	0	0	0	111.9	N28 H33 K143	N28-A31 HydrophobicContact CB-CB 4.1Å; N28-A31 WeakPolarHBondContact O-CB 3.26Å; N28-A31 PolarHBondContact O-N 2.7Å; A31-H33 PolarHBondContact O-CD2 3.02Å; A31-H33 PolarHBondContact O-N 3.05Å; A31-K143 PolarHBondContact O-NZ 3.31Å
32	D	80.1	Confident	87.7	Confident	162 Å²	162	94 Å²	94	87%	0.866	45%	0.454	S	S	*	.			trans	-76.3	106.8	172.5	-64.3	-30.3	0	0	0	108.7
33	H	80.7	Confident	88.3	Confident	58 Å²	58	90.7 Å²	90.7	27%	0.269	45%	0.446	S	S	.	.			trans	-109.2	134.5	174.4	-62.9	-83.2	0	0	0	108.3	N28 A31 L35	N28-H33 PolarHBondContact O-NE2 2.84Å; N28-H33 VanDerWaalsContact O-NE2 3.1Å; A31-H33 PolarHBondContact O-CD2 3.02Å; A31-H33 PolarHBondContact O-N 3.05Å; H33-L35 VanDerWaalsContact C-N 3.33Å; H33-L35 HydrophobicContact CB-CD1 3.81Å; H33-L35 HydrophobicContact CB-CD2 4.35Å; H33-L35 HydrophobicContact CB-CG 3.68Å; H33-L35 PolarHBondContact O-N 2.98Å
34	T	86.5	Confident	88.7	Confident	135 Å²	135	88.5 Å²	88.5	83%	0.828	44%	0.436	S	S	*	.			trans	-72.4	91.9	167.4	-41.9	0	0	0	0	108.5	R138	T34-R138 PolarHBondContact O-NH1 2.89Å
35	L	88.8	Confident	89.2	Confident	20 Å²	20	82 Å²	82	11%	0.105	42%	0.417	C	S	.	.			trans	-115.8	137.7	178.8	-64.4	170.5	0	0	0	108.8	H33 Y37 R138 N140	H33-L35 VanDerWaalsContact C-N 3.33Å; H33-L35 HydrophobicContact CB-CD1 3.81Å; H33-L35 HydrophobicContact CB-CD2 4.35Å; H33-L35 HydrophobicContact CB-CG 3.68Å; H33-L35 PolarHBondContact O-N 2.98Å; L35-Y37 HydrophobicContact CB-CD1 4.35Å; L35-Y37 WeakPolarHBondContact O-CD1 3.33Å; L35-R138 HydrophobicContact CD2-CG 3.95Å; L35-N140 HydrophobicContact CD1-CB 3.62Å
36	R	89.9	Confident	90.1	Very high	235 Å²	235	79.9 Å²	79.9	89%	0.887	40%	0.396	S	S	*	.			trans	-87.5	133.2	167.1	-67.1	-176	-177.7	175.7	0.3	108.3
37	Y	93.8	Very high	90.8	Very high	124 Å²	124	75.9 Å²	75.9	49%	0.486	38%	0.382	S	S	.	.			trans	-148.9	144.5	173.9	50.2	-87.8	0	0	0	107.6	L35 H144	L35-Y37 HydrophobicContact CB-CD1 4.35Å; L35-Y37 WeakPolarHBondContact O-CD1 3.33Å; Y37-H144 AromaticContact CD1-CE1 3.34Å; Y37-H144 WeakPolarHBondContact CD1-CE1 3.46Å; Y37-H144 AromaticContact CD1-ND1 3.6Å; Y37-H144 AromaticContact CD1-NE2 3.69Å; Y37-H144 AromaticContact CE1-CE1 3.53Å; Y37-H144 AromaticContact CE1-NE2 3.54Å; Y37-H144 HydrophobicContact CG-CB 4.48Å; Y37-H144 AromaticContact CG-CE1 3.97Å; Y37-H144 AromaticContact CG-CG 3.89Å; Y37-H144 AromaticContact CG-ND1 3.85Å; Y37-H144 AromaticContact CZ-NE2 3.83Å
38	P	95.9	Very high	91.4	Very high	15 Å²	15	81.6 Å²	81.6	10%	0.097	41%	0.405	C	S	.	.			trans	-67.9	159.2	177.1	32.8	-39	0	0	0	110.4	K40 E43 M44 N147 F148	P38-K40 VanDerWaalsContact C-N 3.35Å; P38-K40 WeakPolarHBondContact CB-O 3.38Å; P38-E43 HydrophobicContact CB-CB 4.03Å; P38-M44 HydrophobicContact CB-CB 4.43Å; P38-M44 HydrophobicContact CG-CB 4.16Å; P38-M44 HydrophobicContact CG-SD 4.38Å; P38-N147 HydrophobicContact CG-CB 4.4Å; P38-N147 VanDerWaalsContact CG-O 3.25Å; P38-N147 WeakPolarHBondContact CG-O 3.43Å; P38-N147 WeakPolarHBondContact O-CB 2.64Å; P38-N147 PolarHBondContact O-ND2 3.43Å; P38-F148 HydrophobicContact CG-CD1 3.86Å; P38-F148 HydrophobicContact CG-CE1 4.05Å
39	V	95.1	Very high	91.9	Very high	99 Å²	99	80.5 Å²	80.5	60%	0.6	40%	0.399	S	S	*	.	S	Bend	trans	-70.2	-39.8	173.7	-176.4	0	0	0	0	109.6	E43 N147	V39-E43 VanDerWaalsContact CB-OE2 3.29Å; V39-E43 WeakPolarHBondContact CB-OE2 3.32Å; V39-E43 WeakPolarHBondContact CG2-OE2 3.19Å; V39-E43 PolarHBondContact N-OE2 3.32Å; V39-E43 VanDerWaalsContact N-OE2 3.15Å; V39-N147 PolarHBondContact O-ND2 2.78Å
40	K	96.4	Very high	92.4	Very high	110 Å²	110	80 Å²	80	48%	0.478	40%	0.396	S	S	.	.	S	Bend	trans	-142.6	160.6	178.9	-59.6	179.1	-178.5	174.7	0	111.6	P38 E42 E43 N147	P38-K40 VanDerWaalsContact C-N 3.35Å; P38-K40 WeakPolarHBondContact CB-O 3.38Å; K40-E42 VanDerWaalsContact CB-CD 3.48Å; K40-E42 HydrophobicContact CB-CG 4.27Å; K40-E42 VanDerWaalsContact CB-OE2 3.28Å; K40-E42 WeakPolarHBondContact CB-OE2 3.23Å; K40-E42 WeakPolarHBondContact CD-OE1 3.45Å; K40-E42 PolarHBondContact O-N 3.39Å; K40-E42 VanDerWaalsContact O-N 3.12Å; K40-E43 PolarHBondContact O-N 3.37Å; K40-N147 CarbonylContact C-O 3.55Å
41	P	97.3	Very high	92.8	Very high	16 Å²	16	78.8 Å²	78.8	10%	0.104	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-56.3	-32	-175.7	-27.9	36.2	0	0	0	115	E43 M44 P146 N147 F149 Y150	P41-E43 PolarHBondContact O-N 3.23Å; P41-M44 PolarHBondContact O-N 3.19Å; P41-P146 WeakPolarHBondContact CG-O 3.12Å; P41-N147 WeakPolarHBondContact CA-O 3.31Å; P41-N147 WeakPolarHBondContact CD-O 3.28Å; P41-F149 VanDerWaalsContact CG-C 3.45Å; P41-F149 WeakPolarHBondContact CG-O 3.5Å; P41-Y150 HydrophobicContact CB-CD1 3.75Å; P41-Y150 HydrophobicContact CB-CD2 4.03Å; P41-Y150 HydrophobicContact CB-CE1 3.72Å; P41-Y150 HydrophobicContact CB-CE2 3.98Å; P41-Y150 HydrophobicContact CB-CG 3.91Å; P41-Y150 HydrophobicContact CG-CD1 4.21Å; P41-Y150 HydrophobicContact CG-CE1 4.5Å; P41-Y150 HydrophobicContact CG-CG 4.48Å
42	E	95.3	Very high	93.1	Very high	107 Å²	107	83.1 Å²	83.1	50%	0.5	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-66	-19	177.6	58.8	-95.3	-144.2	0	0	115	K40 Y150	K40-E42 VanDerWaalsContact CB-CD 3.48Å; K40-E42 HydrophobicContact CB-CG 4.27Å; K40-E42 VanDerWaalsContact CB-OE2 3.28Å; K40-E42 WeakPolarHBondContact CB-OE2 3.23Å; K40-E42 WeakPolarHBondContact CD-OE1 3.45Å; K40-E42 PolarHBondContact O-N 3.39Å; K40-E42 VanDerWaalsContact O-N 3.12Å; E42-Y150 WeakPolarHBondContact CA-OH 3.48Å; E42-Y150 HydrophobicContact CB-CE1 4.46Å; E42-Y150 VanDerWaalsContact CB-OH 3.31Å; E42-Y150 WeakPolarHBondContact CB-OH 3.46Å; E42-Y150 PolarHBondContact N-OH 3.08Å
43	E	96.4	Very high	93.7	Very high	114 Å²	114	77.7 Å²	77.7	53%	0.533	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-89.9	-5.2	178.2	-62.4	177.4	-172.3	0	0	112.7	P38 V39 K40 P41 D45	P38-E43 HydrophobicContact CB-CB 4.03Å; V39-E43 VanDerWaalsContact CB-OE2 3.29Å; V39-E43 WeakPolarHBondContact CB-OE2 3.32Å; V39-E43 WeakPolarHBondContact CG2-OE2 3.19Å; V39-E43 PolarHBondContact N-OE2 3.32Å; V39-E43 VanDerWaalsContact N-OE2 3.15Å; K40-E43 PolarHBondContact O-N 3.37Å; P41-E43 PolarHBondContact O-N 3.23Å; E43-D45 PolarHBondContact O-N 2.82Å
44	M	96.3	Very high	94.1	Very high	36 Å²	36	77.5 Å²	77.5	18%	0.177	38%	0.377	C	S	.	.			trans	-79.1	114.6	177.9	-173	62.4	-155.8	0	0	110.8	P38 P41 W46 L49 L137 F148	P38-M44 HydrophobicContact CB-CB 4.43Å; P38-M44 HydrophobicContact CG-CB 4.16Å; P38-M44 HydrophobicContact CG-SD 4.38Å; P41-M44 PolarHBondContact O-N 3.19Å; M44-W46 HydrophobicContact CB-CZ2 4.32Å; M44-W46 HydrophobicContact CE-CE3 4.17Å; M44-W46 HydrophobicContact CE-CZ3 4.16Å; M44-W46 HydrophobicContact CG-CD2 3.8Å; M44-W46 VanDerWaalsContact CG-CE2 3.44Å; M44-W46 HydrophobicContact CG-CE3 4.22Å; M44-W46 HydrophobicContact CG-CG 4.32Å; M44-W46 HydrophobicContact CG-CH2 4.02Å; M44-W46 HydrophobicContact CG-CZ2 3.6Å; M44-W46 HydrophobicContact CG-CZ3 4.31Å; M44-W46 PolarHBondContact O-N 2.88Å; M44-L49 HydrophobicContact CE-CD1 4.24Å; M44-L137 HydrophobicContact CE-CD1 3.67Å; M44-L137 HydrophobicContact SD-CD1 4.42Å; M44-F148 HydrophobicContact CG-CD1 4.36Å; M44-F148 HydrophobicContact SD-CD1 3.92Å; M44-F148 HydrophobicContact SD-CE1 3.96Å
45	D	95.4	Very high	94	Very high	80 Å²	80	74 Å²	74	43%	0.428	36%	0.361	S	S	.	.			trans	-81.6	97	171.4	-170.2	-5.1	0	0	0	111	E43 S47	E43-D45 PolarHBondContact O-N 2.82Å; D45-S47 VanDerWaalsContact C-N 3.26Å; D45-S47 VanDerWaalsContact CG-OG 3.31Å; D45-S47 PolarHBondContact O-N 3.4Å; D45-S47 VanDerWaalsContact OD1-CB 3.22Å; D45-S47 WeakPolarHBondContact OD1-CB 3.46Å; D45-S47 PolarHBondContact OD1-N 3.36Å; D45-S47 PolarHBondContact OD1-OG 3.13Å; D45-S47 PolarHBondContact OD2-OG 3.33Å
46	W	96.3	Very high	93.3	Very high	21 Å²	21	78.7 Å²	78.7	8%	0.08	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-74.4	-14.2	176.7	-65.1	108.3	0	0	0	113.7	M44 E48 L49 Y50 F54 V78 L104 F149	M44-W46 HydrophobicContact CB-CZ2 4.32Å; M44-W46 HydrophobicContact CE-CE3 4.17Å; M44-W46 HydrophobicContact CE-CZ3 4.16Å; M44-W46 HydrophobicContact CG-CD2 3.8Å; M44-W46 VanDerWaalsContact CG-CE2 3.44Å; M44-W46 HydrophobicContact CG-CE3 4.22Å; M44-W46 HydrophobicContact CG-CG 4.32Å; M44-W46 HydrophobicContact CG-CH2 4.02Å; M44-W46 HydrophobicContact CG-CZ2 3.6Å; M44-W46 HydrophobicContact CG-CZ3 4.31Å; M44-W46 PolarHBondContact O-N 2.88Å; W46-E48 VanDerWaalsContact C-N 3.28Å; W46-E48 PolarHBondContact O-N 3.19Å; W46-L49 HydrophobicContact CE3-CD1 3.99Å; W46-L49 HydrophobicContact CZ3-CD1 3.94Å; W46-L49 PolarHBondContact O-N 2.99Å; W46-L49 VanDerWaalsContact O-N 3.15Å; W46-Y50 HydrophobicContact CB-CD2 4.46Å; W46-Y50 HydrophobicContact CE3-CD2 4.47Å; W46-Y50 AromaticContact CE3-CE2 3.93Å; W46-Y50 HydrophobicContact CE3-CE2 3.93Å; W46-Y50 HydrophobicContact CZ3-CE2 4.49Å; W46-Y50 PolarHBondContact O-N 3.08Å; W46-F54 HydrophobicContact CB-CE2 3.8Å; W46-F54 HydrophobicContact CB-CZ 3.65Å; W46-V78 HydrophobicContact CD2-CG2 4.11Å; W46-V78 HydrophobicContact CE3-CG2 3.76Å; W46-V78 HydrophobicContact CH2-CG2 4.03Å; W46-V78 HydrophobicContact CZ2-CG2 4.33Å; W46-V78 HydrophobicContact CZ3-CG2 3.73Å; W46-L104 HydrophobicContact CH2-CD2 3.61Å; W46-L104 HydrophobicContact CZ3-CD1 4.15Å; W46-L104 HydrophobicContact CZ3-CD2 3.61Å; W46-L104 HydrophobicContact CZ3-CG 4.46Å; W46-F149 AromaticContact CH2-CE1 3.81Å; W46-F149 HydrophobicContact CH2-CE1 3.81Å; W46-F149 HydrophobicContact CH2-CZ 4.44Å; W46-F149 HydrophobicContact CZ2-CD1 4.21Å; W46-F149 AromaticContact CZ2-CE1 3.91Å; W46-F149 HydrophobicContact CZ2-CE1 3.91Å
47	S	94.8	Very high	92	Very high	43 Å²	43	74.4 Å²	74.4	30%	0.301	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-67.3	-29	-177.4	75.3	0	0	0	0	112.5	D45 L49 P51	D45-S47 VanDerWaalsContact C-N 3.26Å; D45-S47 VanDerWaalsContact CG-OG 3.31Å; D45-S47 PolarHBondContact O-N 3.4Å; D45-S47 VanDerWaalsContact OD1-CB 3.22Å; D45-S47 WeakPolarHBondContact OD1-CB 3.46Å; D45-S47 PolarHBondContact OD1-N 3.36Å; D45-S47 PolarHBondContact OD1-OG 3.13Å; D45-S47 PolarHBondContact OD2-OG 3.33Å; S47-L49 VanDerWaalsContact C-N 3.27Å; S47-L49 PolarHBondContact O-N 3.18Å; S47-P51 WeakPolarHBondContact O-CA 3.49Å; S47-P51 WeakPolarHBondContact O-CG 3.47Å
48	E	94.4	Very high	90	Very high	151 Å²	151	74 Å²	74	71%	0.706	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-63	-34.5	174.1	-64.4	-169	168.6	0	0	112.3	W46	W46-E48 VanDerWaalsContact C-N 3.28Å; W46-E48 PolarHBondContact O-N 3.19Å
49	L	97.3	Very high	87.8	Confident	33 Å²	33	81.5 Å²	81.5	17%	0.173	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-33.3	-176.8	-66	-175	0	0	0	112.9	M44 W46 S47 P51 L104 R124 A135 L137	M44-L49 HydrophobicContact CE-CD1 4.24Å; W46-L49 HydrophobicContact CE3-CD1 3.99Å; W46-L49 HydrophobicContact CZ3-CD1 3.94Å; W46-L49 PolarHBondContact O-N 2.99Å; W46-L49 VanDerWaalsContact O-N 3.15Å; S47-L49 VanDerWaalsContact C-N 3.27Å; S47-L49 PolarHBondContact O-N 3.18Å; L49-P51 VanDerWaalsContact C-CD 3.48Å; L49-L104 HydrophobicContact CD1-CD1 3.89Å; L49-R124 PolarHBondContact O-NH1 3.14Å; L49-R124 PolarHBondContact O-NH2 2.79Å; L49-A135 HydrophobicContact CB-CB 3.78Å; L49-A135 HydrophobicContact CD1-CB 4.25Å; L49-A135 HydrophobicContact CD2-CB 4.3Å; L49-A135 HydrophobicContact CG-CB 4.34Å; L49-L137 HydrophobicContact CD1-CD1 4.13Å
50	Y	97.3	Very high	85.5	Confident	0 Å²	0	84.5 Å²	84.5	0%	0	44%	0.444	C	S	.	.			trans	-127.5	58.6	-175.9	-51.3	-77.9	0	0	0	112.9	W46 E52 F53 F54 V78 L102 I103 L104 Q132 N133 A135	W46-Y50 HydrophobicContact CB-CD2 4.46Å; W46-Y50 HydrophobicContact CE3-CD2 4.47Å; W46-Y50 AromaticContact CE3-CE2 3.93Å; W46-Y50 HydrophobicContact CE3-CE2 3.93Å; W46-Y50 HydrophobicContact CZ3-CE2 4.49Å; W46-Y50 PolarHBondContact O-N 3.08Å; Y50-E52 VanDerWaalsContact C-N 3.28Å; Y50-E52 PolarHBondContact O-N 2.93Å; Y50-E52 VanDerWaalsContact O-N 3.09Å; Y50-F53 PolarHBondContact O-N 3.33Å; Y50-F54 WeakPolarHBondContact O-CD2 3.4Å; Y50-V78 HydrophobicContact CE2-CG2 3.64Å; Y50-L102 HydrophobicContact CD1-CD2 3.61Å; Y50-L102 HydrophobicContact CD1-CG 4.46Å; Y50-L102 HydrophobicContact CD2-CD1 3.88Å; Y50-L102 HydrophobicContact CD2-CD2 4.45Å; Y50-L102 HydrophobicContact CE1-CB 4.32Å; Y50-L102 HydrophobicContact CE1-CD2 4.04Å; Y50-L102 HydrophobicContact CE2-CB 4.49Å; Y50-L102 HydrophobicContact CE2-CD1 4.26Å; Y50-L102 HydrophobicContact CG-CD1 3.99Å; Y50-L102 HydrophobicContact CG-CD2 3.81Å; Y50-L102 HydrophobicContact CG-CG 4.43Å; Y50-I103 PolarHBondContact OH-O 3.01Å; Y50-I103 VanDerWaalsContact OH-O 3.08Å; Y50-L104 WeakPolarHBondContact OH-CD1 3.38Å; Y50-Q132 WeakPolarHBondContact CD1-O 3.47Å; Y50-N133 WeakPolarHBondContact CE1-O 3.4Å; Y50-A135 HydrophobicContact CD1-CB 4.3Å; Y50-A135 HydrophobicContact CE1-CB 3.59Å; Y50-A135 HydrophobicContact CE2-CB 4.25Å
51	P	94.9	Very high	83.1	Confident	63 Å²	63	86.7 Å²	86.7	41%	0.409	46%	0.456	S	S	.	.	H	α-helix	trans	-54.1	-39.1	-169	-26.7	34.4	0	0	0	114.8	S47 L49 F53 F54 A55	S47-P51 WeakPolarHBondContact O-CA 3.49Å; S47-P51 WeakPolarHBondContact O-CG 3.47Å; L49-P51 VanDerWaalsContact C-CD 3.48Å; P51-F53 VanDerWaalsContact C-N 3.27Å; P51-F53 PolarHBondContact O-N 2.94Å; P51-F54 CarbonylContact O-C 3.55Å; P51-F54 PolarHBondContact O-N 3.32Å; P51-A55 PolarHBondContact O-N 3.34Å
52	E	92.6	Very high	80.6	Confident	123 Å²	123	90.1 Å²	90.1	58%	0.575	48%	0.481	S	S	*	.	H	α-helix	trans	-67.3	-24	-178.5	-65.9	-165.6	-168.4	0	0	114	Y50 Q132	Y50-E52 VanDerWaalsContact C-N 3.28Å; Y50-E52 PolarHBondContact O-N 2.93Å; Y50-E52 VanDerWaalsContact O-N 3.09Å; E52-Q132 HydrophobicContact CB-CB 4.42Å; E52-Q132 VanDerWaalsContact CD-CG 3.45Å; E52-Q132 HydrophobicContact CG-CG 4.29Å; E52-Q132 PolarHBondContact OE1-NE2 3.3Å; E52-Q132 VanDerWaalsContact OE2-CG 3.28Å; E52-Q132 WeakPolarHBondContact OE2-CG 3.38Å
53	F	91.9	Very high	78.3	Confident	48 Å²	48	92.7 Å²	92.7	21%	0.211	49%	0.492	C	S	.	.	H	α-helix	trans	-82.7	-17.9	177.6	-76.4	-101.4	0	0	0	113	Y50 P51 A76 L102 Q132 N133	Y50-F53 PolarHBondContact O-N 3.33Å; P51-F53 VanDerWaalsContact C-N 3.27Å; P51-F53 PolarHBondContact O-N 2.94Å; F53-A76 HydrophobicContact CB-CB 4.19Å; F53-A76 HydrophobicContact CD1-CB 4.01Å; F53-L102 HydrophobicContact CB-CD2 4.35Å; F53-L102 HydrophobicContact CD1-CD2 3.67Å; F53-L102 HydrophobicContact CD1-CG 4.29Å; F53-L102 HydrophobicContact CD2-CD2 3.64Å; F53-L102 HydrophobicContact CE1-CD2 3.77Å; F53-L102 HydrophobicContact CE2-CD2 3.75Å; F53-L102 HydrophobicContact CG-CD2 3.61Å; F53-L102 HydrophobicContact CG-CG 4.49Å; F53-L102 HydrophobicContact CZ-CD2 3.82Å; F53-Q132 HydrophobicContact CE2-CB 4.14Å; F53-N133 HydrophobicContact CE2-CB 3.88Å; F53-N133 HydrophobicContact CZ-CB 3.72Å
54	F	90.3	Very high	76.1	Confident	54 Å²	54	95.1 Å²	95.1	24%	0.237	51%	0.509	C	S	.	.	H	α-helix	trans	-116.4	1.1	-178.2	-64.8	-88.5	0	0	0	112.9	W46 Y50 P51 Q75 A76 L102	W46-F54 HydrophobicContact CB-CE2 3.8Å; W46-F54 HydrophobicContact CB-CZ 3.65Å; Y50-F54 WeakPolarHBondContact O-CD2 3.4Å; P51-F54 CarbonylContact O-C 3.55Å; P51-F54 PolarHBondContact O-N 3.32Å; F54-Q75 HydrophobicContact CE1-CG 3.92Å; F54-A76 HydrophobicContact CZ-CB 4.49Å; F54-A76 WeakPolarHBondContact CZ-O 3.37Å; F54-L102 HydrophobicContact CE2-CD1 4.18Å
55	A	83.6	Confident	74.1	Confident	61 Å²	61	97.8 Å²	97.8	50%	0.504	52%	0.524	S	S	.	.	S	Bend	trans	-61.2	138.6	175.9	0	0	0	0	0	110.6	P51 L57	P51-A55 PolarHBondContact O-N 3.34Å; A55-L57 PolarHBondContact O-N 3.04Å
56	P	73.9	Confident	71.9	Confident	119 Å²	119	99 Å²	99	77%	0.773	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-57.9	138	173.9	-19.9	30.4	0	0	0	110.5	T58	P56-T58 PolarHBondContact O-N 3.01Å; P56-T58 VanDerWaalsContact O-N 3.16Å
57	L	62.5	Low	69.5	Low	145 Å²	145	105.2 Å²	105.2	76%	0.759	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-56.6	122.4	167.5	-68.3	166.3	0	0	0	107.9	A55 Q59	A55-L57 PolarHBondContact O-N 3.04Å; L57-Q59 PolarHBondContact O-N 3.27Å
58	T	53	Low	67.4	Low	115 Å²	115	107.3 Å²	107.3	71%	0.706	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-59	133.6	178.7	46.9	0	0	0	0	110.1	P56 N60	P56-T58 PolarHBondContact O-N 3.01Å; P56-T58 VanDerWaalsContact O-N 3.16Å; T58-N60 PolarHBondContact O-N 2.81Å
59	Q	49	Very low	65	Low	173 Å²	173	109 Å²	109	81%	0.808	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-55.9	-5	-176.1	-81	175.7	-27.3	0	0	116.3	L57 Q61 S62	L57-Q59 PolarHBondContact O-N 3.27Å; Q59-Q61 PolarHBondContact O-N 2.86Å; Q59-S62 PolarHBondContact O-N 3.41Å; Q59-S62 PolarHBondContact O-OG 2.89Å
60	N	45.9	Very low	62.2	Low	162 Å²	162	116.6 Å²	116.6	87%	0.866	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-81.9	8.5	-179.9	-75.5	-5.2	0	0	0	114.7	T58	T58-N60 PolarHBondContact O-N 2.81Å
61	Q	47.7	Very low	59.7	Low	156 Å²	156	123.7 Å²	123.7	73%	0.729	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-118.6	24.6	167	-73.5	-176.4	-8.6	0	0	112.2	Q59 H63	Q59-Q61 PolarHBondContact O-N 2.86Å; Q61-H63 PolarHBondContact O-N 2.71Å
62	S	43	Very low	57.3	Low	89 Å²	89	129.7 Å²	129.7	62%	0.622	66%	0.661	S	S	*	*			trans	-75.9	77.3	165.1	68.9	0	0	0	0	109.7	Q59	Q59-S62 PolarHBondContact O-N 3.41Å; Q59-S62 PolarHBondContact O-OG 2.89Å
63	H	47.7	Very low	55.2	Low	160 Å²	160	133.1 Å²	133.1	74%	0.741	67%	0.669	S	S	*	*			trans	-72	124.1	140.3	-89	-80.7	0	0	0	105.1	Q61 D65	Q61-H63 PolarHBondContact O-N 2.71Å; H63-D65 PolarHBondContact O-N 2.92Å
64	D	49.6	Very low	53.6	Low	166 Å²	166	135.1 Å²	135.1	89%	0.888	69%	0.694	S	S	*	*			trans	-66.6	61.1	170.5	-84.3	-42	0	0	0	109.5
65	D	55.1	Low	52.9	Low	91 Å²	91	139.9 Å²	139.9	49%	0.487	72%	0.717	S	S	.	*			trans	-94.4	120.6	173.7	-154	-28.4	0	0	0	107.4	H63 K67 D68	H63-D65 PolarHBondContact O-N 2.92Å; D65-K67 PolarHBondContact O-N 2.78Å; D65-D68 PolarHBondContact O-N 2.93Å
66	P	49.8	Very low	53.2	Low	105 Å²	105	138.4 Å²	138.4	68%	0.682	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	-11.5	176	-25.3	33.4	0	0	0	114.3
67	K	45.9	Very low	54.2	Low	152 Å²	152	136.4 Å²	136.4	66%	0.661	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-32.4	174.2	-135.2	178.7	-178.9	-172.9	0	113.5	D65 K69 K70 E71	D65-K67 PolarHBondContact O-N 2.78Å; K67-K69 VanDerWaalsContact C-N 3.26Å; K67-K69 PolarHBondContact O-N 2.91Å; K67-K70 PolarHBondContact O-N 2.98Å; K67-E71 PolarHBondContact O-N 3.16Å
68	D	49.9	Very low	56	Low	87 Å²	87	129.5 Å²	129.5	47%	0.465	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.6	-24.5	179.8	-78.3	-14.7	0	0	0	112.9	D65 K70	D65-D68 PolarHBondContact O-N 2.93Å; D68-K70 PolarHBondContact O-N 2.84Å
69	K	43.7	Very low	58.1	Low	187 Å²	187	126.7 Å²	126.7	81%	0.813	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-15.1	173.1	-69.7	-176.4	-179.4	175.6	0	113.1	K67	K67-K69 VanDerWaalsContact C-N 3.26Å; K67-K69 PolarHBondContact O-N 2.91Å
70	K	39.8	Very low	60.5	Low	192 Å²	192	118.7 Å²	118.7	84%	0.835	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-21.1	178.7	-111.2	-178	178.9	-178.8	0	113.4	K67 D68 K72	K67-K70 PolarHBondContact O-N 2.98Å; D68-K70 PolarHBondContact O-N 2.84Å; K70-K72 PolarHBondContact O-N 2.78Å
71	E	44.2	Very low	63	Low	150 Å²	150	111 Å²	111	70%	0.701	55%	0.549	S	S	*	.			trans	-83.4	59.4	169.1	-73.7	-173.9	-179.5	0	0	110.6	K67 R73	K67-E71 PolarHBondContact O-N 3.16Å; E71-R73 PolarHBondContact O-N 2.99Å
72	K	43.5	Very low	65.5	Low	188 Å²	188	103.7 Å²	103.7	82%	0.817	52%	0.515	S	S	*	.			trans	-63	96.2	153.6	-81.9	-175.7	177.4	-178	0	105.5	K70 A74	K70-K72 PolarHBondContact O-N 2.78Å; K72-A74 PolarHBondContact O-N 3.23Å
73	R	50.2	Low	68.1	Low	195 Å²	195	100 Å²	100	74%	0.736	49%	0.488	S	S	*	.			trans	-44.1	118.1	166.3	-154.7	175.1	-171.6	-176.5	1.2	105.4	E71 Q75	E71-R73 PolarHBondContact O-N 2.99Å; R73-Q75 PolarHBondContact O-N 3.39Å
74	A	57.7	Low	70.5	Confident	91 Å²	91	94.3 Å²	94.3	75%	0.752	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-48.6	123.1	177	0	0	0	0	0	106.3	K72 A76	K72-A74 PolarHBondContact O-N 3.23Å; A74-A76 PolarHBondContact O-N 3Å
75	Q	75.6	Confident	72.8	Confident	154 Å²	154	86.8 Å²	86.8	72%	0.72	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-55.6	121.3	-170.9	-170.3	167.1	10	0	0	107.5	F54 R73 Q77	F54-Q75 HydrophobicContact CE1-CG 3.92Å; R73-Q75 PolarHBondContact O-N 3.39Å; Q75-Q77 WeakPolarHBondContact O-CG 3.46Å; Q75-Q77 PolarHBondContact O-N 3.29Å
76	A	88.7	Confident	74.8	Confident	29 Å²	29	83 Å²	83	24%	0.24	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-56.5	131.2	-176.4	0	0	0	0	0	108.9	F53 F54 A74 L102	F53-A76 HydrophobicContact CB-CB 4.19Å; F53-A76 HydrophobicContact CD1-CB 4.01Å; F54-A76 HydrophobicContact CZ-CB 4.49Å; F54-A76 WeakPolarHBondContact CZ-O 3.37Å; A74-A76 PolarHBondContact O-N 3Å; A76-L102 HydrophobicContact CB-CD1 3.9Å; A76-L102 HydrophobicContact CB-CG 4.43Å
77	Q	96.7	Very high	77	Confident	78 Å²	78	80.4 Å²	80.4	36%	0.364	39%	0.393	S	S	.	.			trans	-122.6	150.1	178.5	-69.5	-175	-51.1	0	0	109.1	Q75 E79 Q153	Q75-Q77 WeakPolarHBondContact O-CG 3.46Å; Q75-Q77 PolarHBondContact O-N 3.29Å; Q77-E79 PolarHBondContact O-N 3.12Å; Q77-Q153 HydrophobicContact CB-CG 4.23Å
78	V	98.5	Very high	79.5	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	122.5	165.6	176.6	0	0	0	0	108.2	W46 Y50 F80 L102 L104 F149 Q153 L154	W46-V78 HydrophobicContact CD2-CG2 4.11Å; W46-V78 HydrophobicContact CE3-CG2 3.76Å; W46-V78 HydrophobicContact CH2-CG2 4.03Å; W46-V78 HydrophobicContact CZ2-CG2 4.33Å; W46-V78 HydrophobicContact CZ3-CG2 3.73Å; Y50-V78 HydrophobicContact CE2-CG2 3.64Å; V78-F80 WeakPolarHBondContact CG1-O 3.28Å; V78-L102 HydrophobicContact CG2-CB 4.24Å; V78-L104 HydrophobicContact CG1-CB 3.59Å; V78-L104 HydrophobicContact CG2-CB 4.26Å; V78-F149 HydrophobicContact CB-CE1 3.93Å; V78-F149 HydrophobicContact CG1-CE1 3.76Å; V78-F149 HydrophobicContact CG1-CZ 4.2Å; V78-Q153 WeakPolarHBondContact O-CG 3.41Å; V78-Q153 PolarHBondContact O-NE2 3.38Å; V78-L154 HydrophobicContact CG1-CD2 4.19Å
79	E	98.8	Very high	81.8	Confident	56 Å²	56	69.2 Å²	69.2	26%	0.262	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	-23.2	176.9	-56.9	-162.5	126.2	0	0	112.2	Q77 T101 L102 L154 T155 K156 R189	Q77-E79 PolarHBondContact O-N 3.12Å; E79-T101 HydrophobicContact CB-CG2 3.84Å; E79-T101 HydrophobicContact CG-CG2 4.37Å; E79-L102 PolarHBondContact N-O 3.44Å; E79-L154 CarbonylContact O-C 3.58Å; E79-L154 VanDerWaalsContact O-CA 3.28Å; E79-L154 WeakPolarHBondContact O-CA 3.38Å; E79-T155 HydrophobicContact CB-CG2 4.31Å; E79-T155 PolarHBondContact O-N 2.88Å; E79-T155 PolarHBondContact O-OG1 3.4Å; E79-K156 PolarHBondContact O-N 3.16Å; E79-R189 IonicContact OE1-CZ 3.66Å; E79-R189 IonicContact OE1-NH1 3.6Å; E79-R189 IonicContact OE1-NH2 2.81Å; E79-R189 PolarHBondContact OE1-NH2 3.3Å
80	F	98.9	Very high	84.4	Confident	5 Å²	5	60.4 Å²	60.4	2%	0.022	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.9	179.4	-70.8	15.5	0	0	0	110	V78 L94 F98 T101 L102 I103 L104 T155 K156 F158	V78-F80 WeakPolarHBondContact CG1-O 3.28Å; F80-L94 HydrophobicContact CD2-CD1 4.47Å; F80-F98 HydrophobicContact CE2-CB 4.11Å; F80-F98 AromaticContact CE2-CD1 3.93Å; F80-F98 HydrophobicContact CE2-CD1 3.93Å; F80-F98 AromaticContact CE2-CD2 3.68Å; F80-F98 HydrophobicContact CE2-CD2 3.68Å; F80-F98 HydrophobicContact CE2-CE1 4.26Å; F80-F98 HydrophobicContact CE2-CE2 4.03Å; F80-F98 AromaticContact CE2-CG 3.62Å; F80-F98 HydrophobicContact CE2-CG 3.62Å; F80-F98 HydrophobicContact CE2-CZ 4.31Å; F80-F98 HydrophobicContact CZ-CB 4.46Å; F80-F98 AromaticContact CZ-CD1 3.74Å; F80-F98 HydrophobicContact CZ-CD1 3.74Å; F80-F98 HydrophobicContact CZ-CD2 4.33Å; F80-F98 AromaticContact CZ-CE1 4Å; F80-F98 HydrophobicContact CZ-CE1 4Å; F80-F98 AromaticContact CZ-CG 3.92Å; F80-F98 HydrophobicContact CZ-CG 3.92Å; F80-F98 HydrophobicContact CZ-CZ 4.4Å; F80-T101 HydrophobicContact CD1-CG2 3.73Å; F80-T101 HydrophobicContact CD2-CG2 4.4Å; F80-T101 HydrophobicContact CE1-CG2 3.68Å; F80-T101 HydrophobicContact CE2-CG2 4.37Å; F80-T101 HydrophobicContact CG-CG2 4.08Å; F80-T101 HydrophobicContact CZ-CG2 4Å; F80-L102 PolarHBondContact N-O 2.87Å; F80-I103 HydrophobicContact CB-CB 4.09Å; F80-I103 HydrophobicContact CB-CG1 4.01Å; F80-I103 HydrophobicContact CB-CG2 3.74Å; F80-I103 HydrophobicContact CD2-CD1 3.92Å; F80-I103 HydrophobicContact CD2-CG1 3.91Å; F80-I103 HydrophobicContact CD2-CG2 4.47Å; F80-I103 HydrophobicContact CE2-CD1 4.48Å; F80-I103 HydrophobicContact CG-CG1 4.29Å; F80-I103 WeakPolarHBondContact O-CA 3.25Å; F80-L104 PolarHBondContact O-N 3.04Å; F80-T155 VanDerWaalsContact CD1-OG1 3.24Å; F80-T155 WeakPolarHBondContact CD1-OG1 3.44Å; F80-T155 WeakPolarHBondContact CE1-OG1 3.47Å; F80-K156 WeakPolarHBondContact CA-O 3.45Å; F80-K156 HydrophobicContact CD1-CB 3.71Å; F80-K156 HydrophobicContact CD1-CD 3.96Å; F80-K156 HydrophobicContact CD1-CG 3.81Å; F80-K156 HydrophobicContact CD2-CD 4.18Å; F80-K156 HydrophobicContact CE1-CB 4.12Å; F80-K156 HydrophobicContact CE1-CD 3.52Å; F80-K156 HydrophobicContact CE1-CG 3.67Å; F80-K156 HydrophobicContact CE2-CD 3.76Å; F80-K156 HydrophobicContact CG-CB 3.98Å; F80-K156 HydrophobicContact CG-CD 4.31Å; F80-K156 HydrophobicContact CG-CG 4.41Å; F80-K156 HydrophobicContact CZ-CD 3.43Å; F80-K156 VanDerWaalsContact CZ-CD 3.43Å; F80-K156 VanDerWaalsContact CZ-CE 3.43Å; F80-K156 HydrophobicContact CZ-CG 4.13Å; F80-F158 HydrophobicContact CB-CE2 4.1Å; F80-F158 HydrophobicContact CD2-CE2 4.28Å; F80-F158 HydrophobicContact CD2-CZ 4.28Å; F80-F158 HydrophobicContact CG-CE2 4.33Å
81	A	98.9	Very high	87.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	116.7	177.8	0	0	0	0	0	112.3	I83 L104 L106 F149 L154 K156 M157 F158	A81-I83 HydrophobicContact CB-CD1 4.02Å; A81-L104 CarbonylContact C-O 3.43Å; A81-L104 WeakPolarHBondContact CA-O 3.33Å; A81-L106 HydrophobicContact CB-CD1 4.23Å; A81-F149 HydrophobicContact CB-CE2 4.4Å; A81-F149 HydrophobicContact CB-CZ 4.39Å; A81-L154 HydrophobicContact CB-CD1 3.71Å; A81-L154 HydrophobicContact CB-CD2 4.24Å; A81-K156 PolarHBondContact N-O 2.79Å; A81-M157 CarbonylContact O-C 3.57Å; A81-M157 WeakPolarHBondContact O-CA 3.5Å; A81-F158 WeakPolarHBondContact O-CD2 3.41Å; A81-F158 PolarHBondContact O-N 3.32Å
82	D	98.9	Very high	89.8	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	102.5	172.9	-176.1	9.2	0	0	0	109.9	G84 C85 L90 L91 L104 L106 F158	D82-G84 PolarHBondContact O-N 3.09Å; D82-C85 HydrophobicContact CB-CB 3.94Å; D82-C85 VanDerWaalsContact CG-CB 3.41Å; D82-C85 WeakPolarHBondContact OD2-CA 3.46Å; D82-C85 WeakPolarHBondContact OD2-CB 3.13Å; D82-L90 HydrophobicContact CB-CD2 4.3Å; D82-L91 HydrophobicContact CB-CD2 3.85Å; D82-L104 PolarHBondContact N-O 3.42Å; D82-L106 PolarHBondContact O-N 3.36Å; D82-F158 HydrophobicContact CB-CD2 4.39Å
83	I	98.5	Very high	92.4	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.051	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	111.5	-171.5	-52.3	-58.7	0	0	0	110.1	A81 L106 A141 L145 M157 F158 F159 I175	A81-I83 HydrophobicContact CB-CD1 4.02Å; I83-L106 HydrophobicContact CD1-CD1 4.08Å; I83-L106 HydrophobicContact CD1-CD2 4.39Å; I83-A141 HydrophobicContact CD1-CB 4.27Å; I83-A141 HydrophobicContact CG2-CB 3.43Å; I83-A141 VanDerWaalsContact CG2-CB 3.43Å; I83-L145 HydrophobicContact CD1-CD2 4.12Å; I83-M157 HydrophobicContact CD1-CE 4.24Å; I83-M157 HydrophobicContact CG1-CE 4.15Å; I83-F158 WeakPolarHBondContact CB-O 3.36Å; I83-F158 PolarHBondContact N-O 2.71Å; I83-F159 HydrophobicContact CB-CD1 3.78Å; I83-F159 HydrophobicContact CB-CE1 3.62Å; I83-F159 HydrophobicContact CB-CG 4.49Å; I83-F159 HydrophobicContact CB-CZ 4.22Å; I83-F159 HydrophobicContact CG1-CD1 4.29Å; I83-F159 HydrophobicContact CG1-CE1 3.75Å; I83-F159 HydrophobicContact CG1-CE2 4.42Å; I83-F159 HydrophobicContact CG1-CZ 3.83Å; I83-F159 HydrophobicContact CG2-CD1 3.93Å; I83-F159 HydrophobicContact CG2-CE1 3.58Å; I83-F159 HydrophobicContact CG2-CZ 4.46Å; I83-I175 HydrophobicContact CG2-CD1 4.16Å; I83-I175 HydrophobicContact CG2-CG1 4.15Å
84	G	97.6	Very high	94.7	Very high	42 Å²	42	30.3 Å²	30.3	43%	0.433	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	45.7	-172.6	0	0	0	0	0	111.7	D82 G86 L106	D82-G84 PolarHBondContact O-N 3.09Å; G84-G86 PolarHBondContact O-N 3.44Å; G84-L106 WeakPolarHBondContact CA-O 3.48Å; G84-L106 PolarHBondContact N-O 3.21Å
85	C	97.9	Very high	96.7	Very high	8 Å²	8	26.1 Å²	26.1	5%	0.054	14%	0.144	C	C	.	.			trans	-60.9	-9.1	-168.3	67.8	0	0	0	0	115.7	D82 Y87 G88 L91 L106	D82-C85 HydrophobicContact CB-CB 3.94Å; D82-C85 VanDerWaalsContact CG-CB 3.41Å; D82-C85 WeakPolarHBondContact OD2-CA 3.46Å; D82-C85 WeakPolarHBondContact OD2-CB 3.13Å; C85-Y87 PolarHBondContact O-N 3.15Å; C85-G88 PolarHBondContact O-N 3.16Å; C85-L91 HydrophobicContact CB-CD1 4.5Å; C85-L106 PolarHBondContact N-O 2.91Å
86	G	96.7	Very high	97.7	Very high	12 Å²	12	23 Å²	23	12%	0.124	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-129.5	-178.2	0	0	0	0	0	110.9	G84 G88 E107 V112 V116	G84-G86 PolarHBondContact O-N 3.44Å; G86-G88 PolarHBondContact O-N 3.33Å; G86-E107 VanDerWaalsContact CA-OE2 3.28Å; G86-E107 WeakPolarHBondContact CA-OE2 3.48Å; G86-E107 PolarHBondContact N-OE2 2.86Å; G86-V112 VanDerWaalsContact C-CG1 3.42Å; G86-V112 WeakPolarHBondContact O-CG1 3.3Å; G86-V116 WeakPolarHBondContact O-CG2 3.35Å
87	Y	97.2	Very high	98.2	Very high	49 Å²	49	25.2 Å²	25.2	19%	0.192	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	17.1	179.3	-65.5	-81.8	0	0	0	114.1	K18 C85 G89 V112 Y115 R119 E239	K18-Y87 HydrophobicContact CB-CE1 4.49Å; K18-Y87 HydrophobicContact CD-CD1 4.46Å; K18-Y87 HydrophobicContact CG-CD1 4.18Å; K18-Y87 HydrophobicContact CG-CE1 4.3Å; C85-Y87 PolarHBondContact O-N 3.15Å; Y87-G89 PolarHBondContact O-N 3.25Å; Y87-V112 HydrophobicContact CD1-CG1 4.17Å; Y87-V112 HydrophobicContact CE1-CG1 4.23Å; Y87-V112 HydrophobicContact CG-CG1 4.35Å; Y87-Y115 AromaticContact CD1-CD1 3.46Å; Y87-Y115 HydrophobicContact CD1-CD1 3.46Å; Y87-Y115 VanDerWaalsContact CD1-CD1 3.46Å; Y87-Y115 AromaticContact CD1-CE1 3.79Å; Y87-Y115 HydrophobicContact CD1-CE1 3.79Å; Y87-Y115 AromaticContact CD1-CG 3.93Å; Y87-Y115 HydrophobicContact CD1-CG 3.93Å; Y87-Y115 HydrophobicContact CE1-CD1 4.28Å; Y87-Y115 HydrophobicContact CE1-CG 4.32Å; Y87-Y115 HydrophobicContact CG-CD1 4.36Å; Y87-Y115 HydrophobicContact CG-CE1 4.44Å; Y87-R119 PolarHBondContact O-NH1 3.32Å; Y87-E239 HydrophobicContact CD2-CG 4.38Å
88	G	98.1	Very high	98.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	27.5	170.1	0	0	0	0	0	114.4	C85 G86 V92	C85-G88 PolarHBondContact O-N 3.16Å; G86-G88 PolarHBondContact O-N 3.33Å; G88-V92 WeakPolarHBondContact O-CG2 3.35Å; G88-V92 PolarHBondContact O-N 3.11Å
89	G	98.1	Very high	98.2	Very high	5 Å²	5	27.1 Å²	27.1	5%	0.052	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-47.5	-179	0	0	0	0	0	112.7	Y87 L91 V92 E93 S237	Y87-G89 PolarHBondContact O-N 3.25Å; G89-L91 PolarHBondContact O-N 3.34Å; G89-V92 PolarHBondContact O-N 3.44Å; G89-E93 PolarHBondContact O-N 3.35Å; G89-S237 CarbonylContact C-O 3.14Å; G89-S237 WeakPolarHBondContact CA-O 3.16Å
90	L	98.7	Very high	98	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-43.9	178.9	-176.9	71	0	0	0	112.1	D82 V92 E93 L94 F158 L160 S237 T238	D82-L90 HydrophobicContact CB-CD2 4.3Å; L90-V92 VanDerWaalsContact C-N 3.27Å; L90-V92 PolarHBondContact O-N 3.06Å; L90-E93 PolarHBondContact O-N 2.85Å; L90-E93 VanDerWaalsContact O-N 3.12Å; L90-L94 HydrophobicContact CD1-CD1 3.91Å; L90-L94 HydrophobicContact CD1-CD2 4.25Å; L90-L94 HydrophobicContact CD1-CG 3.86Å; L90-L94 HydrophobicContact CD2-CD1 4.09Å; L90-L94 HydrophobicContact CG-CD1 3.75Å; L90-L94 HydrophobicContact CG-CG 3.97Å; L90-L94 WeakPolarHBondContact O-CG 3.22Å; L90-L94 PolarHBondContact O-N 3.4Å; L90-F158 HydrophobicContact CD2-CB 3.69Å; L90-F158 HydrophobicContact CD2-CD1 3.7Å; L90-F158 HydrophobicContact CD2-CD2 3.91Å; L90-F158 HydrophobicContact CD2-CE1 4.33Å; L90-F158 HydrophobicContact CD2-CG 3.47Å; L90-F158 VanDerWaalsContact CD2-CG 3.47Å; L90-L160 HydrophobicContact CB-CD1 4.24Å; L90-L160 HydrophobicContact CD1-CD1 3.97Å; L90-L160 HydrophobicContact CD2-CD1 3.67Å; L90-L160 HydrophobicContact CD2-CG 4.32Å; L90-L160 HydrophobicContact CG-CD1 4.17Å; L90-S237 WeakPolarHBondContact CD1-OG 3.37Å; L90-T238 HydrophobicContact CB-CG2 4.24Å
91	L	98.8	Very high	98	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-52.6	-46.9	177.9	-56.8	176.1	0	0	0	111.7	D82 C85 G89 L94 S95 I103 V116 I120 I134	D82-L91 HydrophobicContact CB-CD2 3.85Å; C85-L91 HydrophobicContact CB-CD1 4.5Å; G89-L91 PolarHBondContact O-N 3.34Å; L91-L94 PolarHBondContact O-N 3.3Å; L91-S95 WeakPolarHBondContact O-CB 3.08Å; L91-S95 PolarHBondContact O-N 3.46Å; L91-I103 HydrophobicContact CD2-CG2 3.62Å; L91-V116 HydrophobicContact CD1-CG1 4.15Å; L91-I120 HydrophobicContact CD1-CD1 4.4Å; L91-I134 HydrophobicContact CB-CB 4.4Å; L91-I134 HydrophobicContact CB-CD1 4.09Å
92	V	98.3	Very high	98	Very high	20 Å²	20	32 Å²	32	12%	0.121	19%	0.188	C	C	.	.	H	α-helix	trans	-65.6	-39.8	-179.2	175.1	0	0	0	0	111.6	G88 G89 L90 P96 L123 F131 I134	G88-V92 WeakPolarHBondContact O-CG2 3.35Å; G88-V92 PolarHBondContact O-N 3.11Å; G89-V92 PolarHBondContact O-N 3.44Å; L90-V92 VanDerWaalsContact C-N 3.27Å; L90-V92 PolarHBondContact O-N 3.06Å; V92-P96 VanDerWaalsContact O-CD 3.25Å; V92-P96 WeakPolarHBondContact O-CD 3.46Å; V92-L123 HydrophobicContact CG1-CD1 4.2Å; V92-L123 HydrophobicContact CG2-CD1 3.59Å; V92-F131 HydrophobicContact CG1-CE1 3.84Å; V92-F131 HydrophobicContact CG1-CZ 4.41Å; V92-F131 WeakPolarHBondContact O-CE1 3.39Å; V92-I134 HydrophobicContact CG2-CD1 4.25Å
93	E	98.4	Very high	98	Very high	73 Å²	73	31.9 Å²	31.9	34%	0.341	19%	0.187	S	C	.	.	H	α-helix	trans	-71.9	-37.7	178.9	-64	-68.3	150.6	0	0	112.5	G89 L90 P96 H233	G89-E93 PolarHBondContact O-N 3.35Å; L90-E93 PolarHBondContact O-N 2.85Å; L90-E93 VanDerWaalsContact O-N 3.12Å; E93-P96 WeakPolarHBondContact O-CD 3.29Å; E93-H233 IonicContact OE2-ND1 3.65Å
94	L	98.6	Very high	98	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-78.8	-26.8	-178.7	-64.5	-172	0	0	0	113.4	F80 L90 L91 L97 F98 I103 F158 I230	F80-L94 HydrophobicContact CD2-CD1 4.47Å; L90-L94 HydrophobicContact CD1-CD1 3.91Å; L90-L94 HydrophobicContact CD1-CD2 4.25Å; L90-L94 HydrophobicContact CD1-CG 3.86Å; L90-L94 HydrophobicContact CD2-CD1 4.09Å; L90-L94 HydrophobicContact CG-CD1 3.75Å; L90-L94 HydrophobicContact CG-CG 3.97Å; L90-L94 WeakPolarHBondContact O-CG 3.22Å; L90-L94 PolarHBondContact O-N 3.4Å; L91-L94 PolarHBondContact O-N 3.3Å; L94-L97 HydrophobicContact CD2-CD1 4.25Å; L94-L97 PolarHBondContact O-N 2.9Å; L94-L97 VanDerWaalsContact O-N 3.07Å; L94-F98 HydrophobicContact CB-CD2 4.48Å; L94-F98 HydrophobicContact CD2-CE2 4.31Å; L94-F98 PolarHBondContact O-N 3.19Å; L94-F98 VanDerWaalsContact O-N 3.07Å; L94-I103 HydrophobicContact CB-CD1 3.62Å; L94-F158 HydrophobicContact CD1-CE1 4.09Å; L94-F158 HydrophobicContact CD1-CE2 4.01Å; L94-F158 HydrophobicContact CD1-CZ 3.63Å; L94-I230 HydrophobicContact CD2-CG1 4.03Å
95	S	98.6	Very high	98	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.021	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-54.5	-179.3	176.7	0	0	0	0	114.1	L91 L97 F98 F131 N133	L91-S95 WeakPolarHBondContact O-CB 3.08Å; L91-S95 PolarHBondContact O-N 3.46Å; S95-L97 VanDerWaalsContact C-N 3.32Å; S95-L97 PolarHBondContact O-N 3.49Å; S95-F98 CarbonylContact O-C 3.58Å; S95-F131 WeakPolarHBondContact OG-CA 3.5Å; S95-F131 VanDerWaalsContact OG-CD1 3.32Å; S95-F131 WeakPolarHBondContact OG-CD1 3.28Å; S95-N133 PolarHBondContact O-ND2 2.82Å; S95-N133 PolarHBondContact OG-OD1 3.31Å
96	P	97.9	Very high	98.1	Very high	88 Å²	88	29.2 Å²	29.2	57%	0.571	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-20.7	179.6	29.9	-37.5	0	0	0	113.9	V92 E93	V92-P96 VanDerWaalsContact O-CD 3.25Å; V92-P96 WeakPolarHBondContact O-CD 3.46Å; E93-P96 WeakPolarHBondContact O-CD 3.29Å
97	L	97.9	Very high	98.1	Very high	76 Å²	76	28.8 Å²	28.8	40%	0.398	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-27.2	179.1	-60.9	179.3	0	0	0	112.2	L94 S95	L94-L97 HydrophobicContact CD2-CD1 4.25Å; L94-L97 PolarHBondContact O-N 2.9Å; L94-L97 VanDerWaalsContact O-N 3.07Å; S95-L97 VanDerWaalsContact C-N 3.32Å; S95-L97 PolarHBondContact O-N 3.49Å
98	F	98	Very high	98	Very high	44 Å²	44	27.8 Å²	27.8	19%	0.193	16%	0.155	C	C	.	.	S	Bend	trans	-131.5	62.1	-178.1	-60.2	-86	0	0	0	110.8	F80 L94 S95 D100 T101 N133 P229 I230	F80-F98 HydrophobicContact CE2-CB 4.11Å; F80-F98 AromaticContact CE2-CD1 3.93Å; F80-F98 HydrophobicContact CE2-CD1 3.93Å; F80-F98 AromaticContact CE2-CD2 3.68Å; F80-F98 HydrophobicContact CE2-CD2 3.68Å; F80-F98 HydrophobicContact CE2-CE1 4.26Å; F80-F98 HydrophobicContact CE2-CE2 4.03Å; F80-F98 AromaticContact CE2-CG 3.62Å; F80-F98 HydrophobicContact CE2-CG 3.62Å; F80-F98 HydrophobicContact CE2-CZ 4.31Å; F80-F98 HydrophobicContact CZ-CB 4.46Å; F80-F98 AromaticContact CZ-CD1 3.74Å; F80-F98 HydrophobicContact CZ-CD1 3.74Å; F80-F98 HydrophobicContact CZ-CD2 4.33Å; F80-F98 AromaticContact CZ-CE1 4Å; F80-F98 HydrophobicContact CZ-CE1 4Å; F80-F98 AromaticContact CZ-CG 3.92Å; F80-F98 HydrophobicContact CZ-CG 3.92Å; F80-F98 HydrophobicContact CZ-CZ 4.4Å; L94-F98 HydrophobicContact CB-CD2 4.48Å; L94-F98 HydrophobicContact CD2-CE2 4.31Å; L94-F98 PolarHBondContact O-N 3.19Å; L94-F98 VanDerWaalsContact O-N 3.07Å; S95-F98 CarbonylContact O-C 3.58Å; F98-D100 PolarHBondContact O-N 3.47Å; F98-D100 VanDerWaalsContact O-N 3.14Å; F98-T101 PolarHBondContact O-N 2.98Å; F98-N133 PolarHBondContact O-ND2 3.36Å; F98-P229 HydrophobicContact CZ-CG 4.17Å; F98-I230 HydrophobicContact CE2-CD1 3.92Å; F98-I230 HydrophobicContact CE2-CG1 3.81Å; F98-I230 HydrophobicContact CZ-CD1 3.85Å; F98-I230 HydrophobicContact CZ-CG1 3.95Å
99	P	96.8	Very high	97.9	Very high	74 Å²	74	29.5 Å²	29.5	48%	0.481	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.2	-168.1	25.3	-35.4	0	0	0	113.8
100	D	95.9	Very high	97.7	Very high	136 Å²	136	31.9 Å²	31.9	73%	0.727	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.8	-178.8	-60.5	-49.4	0	0	0	113.7	F98	F98-D100 PolarHBondContact O-N 3.47Å; F98-D100 VanDerWaalsContact O-N 3.14Å
101	T	97.9	Very high	97.5	Very high	23 Å²	23	36.8 Å²	36.8	14%	0.141	20%	0.196	C	C	.	.	S	Bend	trans	-105.5	128.3	-178.7	-55.2	0	0	0	0	111	E79 F80 F98 N133	E79-T101 HydrophobicContact CB-CG2 3.84Å; E79-T101 HydrophobicContact CG-CG2 4.37Å; F80-T101 HydrophobicContact CD1-CG2 3.73Å; F80-T101 HydrophobicContact CD2-CG2 4.4Å; F80-T101 HydrophobicContact CE1-CG2 3.68Å; F80-T101 HydrophobicContact CE2-CG2 4.37Å; F80-T101 HydrophobicContact CG-CG2 4.08Å; F80-T101 HydrophobicContact CZ-CG2 4Å; F98-T101 PolarHBondContact O-N 2.98Å; T101-N133 WeakPolarHBondContact O-CB 3.27Å; T101-N133 PolarHBondContact O-ND2 3.07Å; T101-N133 VanDerWaalsContact O-ND2 3.16Å
102	L	98.8	Very high	97.4	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.6	174	-61.2	-173.6	0	0	0	111.3	Y50 F53 F54 A76 V78 E79 F80 N133	Y50-L102 HydrophobicContact CD1-CD2 3.61Å; Y50-L102 HydrophobicContact CD1-CG 4.46Å; Y50-L102 HydrophobicContact CD2-CD1 3.88Å; Y50-L102 HydrophobicContact CD2-CD2 4.45Å; Y50-L102 HydrophobicContact CE1-CB 4.32Å; Y50-L102 HydrophobicContact CE1-CD2 4.04Å; Y50-L102 HydrophobicContact CE2-CB 4.49Å; Y50-L102 HydrophobicContact CE2-CD1 4.26Å; Y50-L102 HydrophobicContact CG-CD1 3.99Å; Y50-L102 HydrophobicContact CG-CD2 3.81Å; Y50-L102 HydrophobicContact CG-CG 4.43Å; F53-L102 HydrophobicContact CB-CD2 4.35Å; F53-L102 HydrophobicContact CD1-CD2 3.67Å; F53-L102 HydrophobicContact CD1-CG 4.29Å; F53-L102 HydrophobicContact CD2-CD2 3.64Å; F53-L102 HydrophobicContact CE1-CD2 3.77Å; F53-L102 HydrophobicContact CE2-CD2 3.75Å; F53-L102 HydrophobicContact CG-CD2 3.61Å; F53-L102 HydrophobicContact CG-CG 4.49Å; F53-L102 HydrophobicContact CZ-CD2 3.82Å; F54-L102 HydrophobicContact CE2-CD1 4.18Å; A76-L102 HydrophobicContact CB-CD1 3.9Å; A76-L102 HydrophobicContact CB-CG 4.43Å; V78-L102 HydrophobicContact CG2-CB 4.24Å; E79-L102 PolarHBondContact N-O 3.44Å; F80-L102 PolarHBondContact N-O 2.87Å; L102-N133 CarbonylContact C-O 3.49Å; L102-N133 WeakPolarHBondContact CA-O 3.07Å; L102-N133 HydrophobicContact CD2-CB 4.23Å
103	I	98.9	Very high	97.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.7	-175.9	-43.1	-179.4	0	0	0	109.9	Y50 F80 L91 L94 N133 I134 A135	Y50-I103 PolarHBondContact OH-O 3.01Å; Y50-I103 VanDerWaalsContact OH-O 3.08Å; F80-I103 HydrophobicContact CB-CB 4.09Å; F80-I103 HydrophobicContact CB-CG1 4.01Å; F80-I103 HydrophobicContact CB-CG2 3.74Å; F80-I103 HydrophobicContact CD2-CD1 3.92Å; F80-I103 HydrophobicContact CD2-CG1 3.91Å; F80-I103 HydrophobicContact CD2-CG2 4.47Å; F80-I103 HydrophobicContact CE2-CD1 4.48Å; F80-I103 HydrophobicContact CG-CG1 4.29Å; F80-I103 WeakPolarHBondContact O-CA 3.25Å; L91-I103 HydrophobicContact CD2-CG2 3.62Å; L94-I103 HydrophobicContact CB-CD1 3.62Å; I103-N133 PolarHBondContact N-O 3.09Å; I103-I134 HydrophobicContact CB-CG2 3.97Å; I103-I134 HydrophobicContact CD1-CG2 4.17Å; I103-I134 HydrophobicContact CG1-CG2 4.29Å; I103-I134 WeakPolarHBondContact O-CA 3.22Å; I103-A135 PolarHBondContact O-N 3.43Å; I103-A135 VanDerWaalsContact O-N 3.08Å
104	L	98.9	Very high	97.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.1	-179.1	-170.7	70.2	0	0	0	111.9	W46 L49 Y50 V78 F80 A81 D82 L106 A135 L137 F149	W46-L104 HydrophobicContact CH2-CD2 3.61Å; W46-L104 HydrophobicContact CZ3-CD1 4.15Å; W46-L104 HydrophobicContact CZ3-CD2 3.61Å; W46-L104 HydrophobicContact CZ3-CG 4.46Å; L49-L104 HydrophobicContact CD1-CD1 3.89Å; Y50-L104 WeakPolarHBondContact OH-CD1 3.38Å; V78-L104 HydrophobicContact CG1-CB 3.59Å; V78-L104 HydrophobicContact CG2-CB 4.26Å; F80-L104 PolarHBondContact O-N 3.04Å; A81-L104 CarbonylContact C-O 3.43Å; A81-L104 WeakPolarHBondContact CA-O 3.33Å; D82-L104 PolarHBondContact N-O 3.42Å; L104-L106 HydrophobicContact CB-CD1 4.47Å; L104-L106 HydrophobicContact CD2-CD1 3.9Å; L104-L106 HydrophobicContact CD2-CG 4.43Å; L104-L106 HydrophobicContact CG-CD1 4.06Å; L104-A135 HydrophobicContact CD1-CB 4.06Å; L104-L137 HydrophobicContact CD1-CB 4.05Å; L104-L137 HydrophobicContact CD2-CB 4.42Å; L104-F149 HydrophobicContact CD2-CE1 4.29Å; L104-F149 HydrophobicContact CD2-CZ 3.83Å
105	G	98.8	Very high	97.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.4	162.9	0	0	0	0	0	111.9	A135 C136 L137	G105-A135 PolarHBondContact N-O 3.07Å; G105-C136 CarbonylContact O-C 3.53Å; G105-C136 WeakPolarHBondContact O-CA 3.17Å; G105-L137 PolarHBondContact O-N 3.15Å
106	L	98.5	Very high	97.2	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.6	171.3	-70.5	82.3	0	0	0	109.1	A81 D82 I83 G84 C85 L104 S139 A141 L145 F149	A81-L106 HydrophobicContact CB-CD1 4.23Å; D82-L106 PolarHBondContact O-N 3.36Å; I83-L106 HydrophobicContact CD1-CD1 4.08Å; I83-L106 HydrophobicContact CD1-CD2 4.39Å; G84-L106 WeakPolarHBondContact CA-O 3.48Å; G84-L106 PolarHBondContact N-O 3.21Å; C85-L106 PolarHBondContact N-O 2.91Å; L104-L106 HydrophobicContact CB-CD1 4.47Å; L104-L106 HydrophobicContact CD2-CD1 3.9Å; L104-L106 HydrophobicContact CD2-CG 4.43Å; L104-L106 HydrophobicContact CG-CD1 4.06Å; L106-S139 WeakPolarHBondContact CB-OG 3.46Å; L106-S139 WeakPolarHBondContact CD2-OG 3.41Å; L106-S139 WeakPolarHBondContact CG-OG 3.27Å; L106-A141 HydrophobicContact CD2-CB 4.22Å; L106-L145 HydrophobicContact CD2-CD2 4.39Å; L106-F149 HydrophobicContact CD1-CZ 4.47Å
107	E	97.5	Very high	97.2	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.019	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	132	179.5	171.8	58.2	-113	0	0	111.2	G86 R109 V112 L137 R138 S139	G86-E107 VanDerWaalsContact CA-OE2 3.28Å; G86-E107 WeakPolarHBondContact CA-OE2 3.48Å; G86-E107 PolarHBondContact N-OE2 2.86Å; E107-R109 HydrophobicContact CG-CB 4.45Å; E107-R109 VanDerWaalsContact OE1-CB 3.25Å; E107-R109 WeakPolarHBondContact OE1-CB 3.33Å; E107-R109 WeakPolarHBondContact OE1-CG 3.44Å; E107-R109 IonicContact OE1-CZ 2.63Å; E107-R109 PolarHBondContact OE1-N 3.28Å; E107-R109 IonicContact OE1-NE 3.72Å; E107-R109 PolarHBondContact OE1-NE 2.84Å; E107-R109 IonicContact OE1-NH2 3.34Å; E107-R109 IonicContact OE2-CZ 2.83Å; E107-R109 IonicContact OE2-NE 3.71Å; E107-R109 PolarHBondContact OE2-NE 3.41Å; E107-R109 IonicContact OE2-NH2 2.97Å; E107-R109 PolarHBondContact OE2-NH2 3.46Å; E107-V112 HydrophobicContact CG-CB 3.94Å; E107-V112 HydrophobicContact CG-CG1 3.96Å; E107-L137 PolarHBondContact N-O 3.37Å; E107-R138 CarbonylContact O-C 3.42Å; E107-R138 WeakPolarHBondContact O-CA 3.39Å; E107-S139 CarbonylContact C-O 3.53Å; E107-S139 PolarHBondContact O-N 3.08Å
108	I	95.9	Very high	97.2	Very high	27 Å²	27	32.8 Å²	32.8	14%	0.138	17%	0.169	C	C	.	.			trans	-83.2	-28.7	-175.5	-164.7	172	0	0	0	112.5	V110 S139 N140	I108-V110 PolarHBondContact O-N 3.16Å; I108-S139 VanDerWaalsContact CA-O 3.26Å; I108-S139 WeakPolarHBondContact CA-O 3.45Å; I108-S139 PolarHBondContact N-O 2.82Å; I108-N140 HydrophobicContact CD1-CB 4.06Å; I108-N140 HydrophobicContact CG1-CB 4.42Å
109	R	94.4	Very high	97.2	Very high	37 Å²	37	33.1 Å²	33.1	14%	0.14	17%	0.169	C	C	.	.			trans	-83.7	112.9	-174.6	-64	169.2	-64.5	-179.5	4.1	110.8	R24 A25 E107 K111 V112 S113	R24-R109 WeakPolarHBondContact O-CD 3.19Å; A25-R109 PolarHBondContact O-NH1 3.45Å; E107-R109 HydrophobicContact CG-CB 4.45Å; E107-R109 VanDerWaalsContact OE1-CB 3.25Å; E107-R109 WeakPolarHBondContact OE1-CB 3.33Å; E107-R109 WeakPolarHBondContact OE1-CG 3.44Å; E107-R109 IonicContact OE1-CZ 2.63Å; E107-R109 PolarHBondContact OE1-N 3.28Å; E107-R109 IonicContact OE1-NE 3.72Å; E107-R109 PolarHBondContact OE1-NE 2.84Å; E107-R109 IonicContact OE1-NH2 3.34Å; E107-R109 IonicContact OE2-CZ 2.83Å; E107-R109 IonicContact OE2-NE 3.71Å; E107-R109 PolarHBondContact OE2-NE 3.41Å; E107-R109 IonicContact OE2-NH2 2.97Å; E107-R109 PolarHBondContact OE2-NH2 3.46Å; R109-K111 PolarHBondContact O-N 3.25Å; R109-V112 HydrophobicContact CB-CB 4.02Å; R109-V112 HydrophobicContact CB-CG2 3.85Å; R109-V112 PolarHBondContact O-N 2.87Å; R109-S113 PolarHBondContact O-N 3.34Å; R109-S113 PolarHBondContact O-OG 2.59Å
110	V	93.6	Very high	97.2	Very high	55 Å²	55	30 Å²	30	33%	0.333	15%	0.148	S	C	.	.	H	α-helix	trans	-49.4	-52.3	-176.2	64.5	0	0	0	0	113.6	I108 V112 S113 D114	I108-V110 PolarHBondContact O-N 3.16Å; V110-V112 PolarHBondContact O-N 3.2Å; V110-S113 WeakPolarHBondContact CA-OG 3.4Å; V110-S113 PolarHBondContact O-N 2.91Å; V110-S113 PolarHBondContact O-OG 3.2Å; V110-D114 WeakPolarHBondContact O-CB 3.05Å; V110-D114 PolarHBondContact O-N 2.91Å; V110-D114 VanDerWaalsContact O-OD1 3.14Å
111	K	95.2	Very high	97.3	Very high	103 Å²	103	30.2 Å²	30.2	45%	0.448	14%	0.139	S	C	.	.	H	α-helix	trans	-65.3	-31.3	-177.9	-67.2	-166.2	172.6	-170.5	0	112.2	Y21 Q23 R109 Y115	Y21-K111 WeakPolarHBondContact CB-O 3.46Å; Y21-K111 VanDerWaalsContact CD1-O 3.29Å; Y21-K111 WeakPolarHBondContact CD1-O 3.37Å; Y21-K111 VanDerWaalsContact O-CB 3.3Å; Y21-K111 WeakPolarHBondContact O-CB 3.28Å; Q23-K111 HydrophobicContact CB-CB 4.37Å; R109-K111 PolarHBondContact O-N 3.25Å; K111-Y115 PolarHBondContact O-N 3.25Å; K111-Y115 VanDerWaalsContact O-N 3.14Å
112	V	96.3	Very high	97.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-75.6	-43.9	179.8	-175.5	0	0	0	0	110	Q23 G86 Y87 E107 R109 V110 D114 Y115 V116	Q23-V112 HydrophobicContact CB-CG2 4.38Å; G86-V112 VanDerWaalsContact C-CG1 3.42Å; G86-V112 WeakPolarHBondContact O-CG1 3.3Å; Y87-V112 HydrophobicContact CD1-CG1 4.17Å; Y87-V112 HydrophobicContact CE1-CG1 4.23Å; Y87-V112 HydrophobicContact CG-CG1 4.35Å; E107-V112 HydrophobicContact CG-CB 3.94Å; E107-V112 HydrophobicContact CG-CG1 3.96Å; R109-V112 HydrophobicContact CB-CB 4.02Å; R109-V112 HydrophobicContact CB-CG2 3.85Å; R109-V112 PolarHBondContact O-N 2.87Å; V110-V112 PolarHBondContact O-N 3.2Å; V112-D114 VanDerWaalsContact C-N 3.35Å; V112-D114 PolarHBondContact O-N 3.46Å; V112-Y115 WeakPolarHBondContact O-CB 3.34Å; V112-Y115 PolarHBondContact O-N 3.34Å; V112-V116 WeakPolarHBondContact O-CG2 3.46Å; V112-V116 PolarHBondContact O-N 2.97Å; V112-V116 VanDerWaalsContact O-N 3.12Å
113	S	96.8	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.4	-42.4	174	55.6	0	0	0	0	112	R109 V110 Y115 V116 Q117	R109-S113 PolarHBondContact O-N 3.34Å; R109-S113 PolarHBondContact O-OG 2.59Å; V110-S113 WeakPolarHBondContact CA-OG 3.4Å; V110-S113 PolarHBondContact O-N 2.91Å; V110-S113 PolarHBondContact O-OG 3.2Å; S113-Y115 VanDerWaalsContact C-N 3.32Å; S113-Y115 PolarHBondContact O-N 3.34Å; S113-V116 PolarHBondContact O-N 2.94Å; S113-V116 VanDerWaalsContact O-N 3.11Å; S113-Q117 WeakPolarHBondContact O-CG 3.37Å; S113-Q117 PolarHBondContact O-N 2.91Å
114	D	97.1	Very high	97	Very high	60 Å²	60	34.6 Å²	34.6	32%	0.321	16%	0.162	S	C	.	.	H	α-helix	trans	-60	-43.9	178.2	-63.4	-10.5	0	0	0	110.7	Y21 V110 V112 V116 Q117 D118	Y21-D114 HydrophobicContact CD1-CB 4.26Å; Y21-D114 HydrophobicContact CE1-CB 4.17Å; V110-D114 WeakPolarHBondContact O-CB 3.05Å; V110-D114 PolarHBondContact O-N 2.91Å; V110-D114 VanDerWaalsContact O-OD1 3.14Å; V112-D114 VanDerWaalsContact C-N 3.35Å; V112-D114 PolarHBondContact O-N 3.46Å; D114-V116 VanDerWaalsContact C-N 3.33Å; D114-V116 PolarHBondContact O-N 3.22Å; D114-Q117 PolarHBondContact O-N 2.78Å; D114-D118 PolarHBondContact O-N 2.87Å
115	Y	97.8	Very high	96.8	Very high	16 Å²	16	38 Å²	38	6%	0.063	19%	0.19	C	C	.	.	H	α-helix	trans	-57.3	-46.1	174.4	175.4	-90.4	0	0	0	112.1	P16 K18 Y21 Y87 K111 V112 S113 Q117 D118 R119	P16-Y115 HydrophobicContact CB-CD2 3.9Å; P16-Y115 HydrophobicContact CB-CE2 3.84Å; P16-Y115 HydrophobicContact CG-CD2 4.18Å; P16-Y115 HydrophobicContact CG-CE2 3.9Å; P16-Y115 VanDerWaalsContact O-CE2 3.27Å; P16-Y115 WeakPolarHBondContact O-CE2 3.22Å; K18-Y115 HydrophobicContact CB-CE2 4.19Å; K18-Y115 HydrophobicContact CG-CD2 4.26Å; K18-Y115 HydrophobicContact CG-CE1 3.97Å; K18-Y115 HydrophobicContact CG-CE2 3.5Å; K18-Y115 VanDerWaalsContact CG-CE2 3.5Å; K18-Y115 WeakPolarHBondContact CG-OH 3.36Å; Y21-Y115 AromaticContact CD2-CD2 3.67Å; Y21-Y115 HydrophobicContact CD2-CD2 3.67Å; Y21-Y115 HydrophobicContact CD2-CG 4.48Å; Y21-Y115 HydrophobicContact CE2-CD2 4.12Å; Y21-Y115 AromaticContact CG-CD2 3.88Å; Y21-Y115 HydrophobicContact CG-CD2 3.88Å; Y21-Y115 HydrophobicContact CG-CG 4.26Å; Y87-Y115 AromaticContact CD1-CD1 3.46Å; Y87-Y115 HydrophobicContact CD1-CD1 3.46Å; Y87-Y115 VanDerWaalsContact CD1-CD1 3.46Å; Y87-Y115 AromaticContact CD1-CE1 3.79Å; Y87-Y115 HydrophobicContact CD1-CE1 3.79Å; Y87-Y115 AromaticContact CD1-CG 3.93Å; Y87-Y115 HydrophobicContact CD1-CG 3.93Å; Y87-Y115 HydrophobicContact CE1-CD1 4.28Å; Y87-Y115 HydrophobicContact CE1-CG 4.32Å; Y87-Y115 HydrophobicContact CG-CD1 4.36Å; Y87-Y115 HydrophobicContact CG-CE1 4.44Å; K111-Y115 PolarHBondContact O-N 3.25Å; K111-Y115 VanDerWaalsContact O-N 3.14Å; V112-Y115 WeakPolarHBondContact O-CB 3.34Å; V112-Y115 PolarHBondContact O-N 3.34Å; S113-Y115 VanDerWaalsContact C-N 3.32Å; S113-Y115 PolarHBondContact O-N 3.34Å; Y115-Q117 VanDerWaalsContact C-N 3.34Å; Y115-D118 PolarHBondContact O-N 3.02Å; Y115-R119 HydrophobicContact CE1-CB 4.26Å; Y115-R119 VanDerWaalsContact O-CB 3.23Å; Y115-R119 WeakPolarHBondContact O-CB 3.2Å; Y115-R119 PolarHBondContact O-N 3.01Å
116	V	98.1	Very high	96.5	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	21%	0.205	C	C	.	.	H	α-helix	trans	-67	-39.4	-178	-178.8	0	0	0	0	110.6	G86 L91 V112 S113 D114 R119 I120 C136	G86-V116 WeakPolarHBondContact O-CG2 3.35Å; L91-V116 HydrophobicContact CD1-CG1 4.15Å; V112-V116 WeakPolarHBondContact O-CG2 3.46Å; V112-V116 PolarHBondContact O-N 2.97Å; V112-V116 VanDerWaalsContact O-N 3.12Å; S113-V116 PolarHBondContact O-N 2.94Å; S113-V116 VanDerWaalsContact O-N 3.11Å; D114-V116 VanDerWaalsContact C-N 3.33Å; D114-V116 PolarHBondContact O-N 3.22Å; V116-R119 PolarHBondContact O-N 3.31Å; V116-I120 HydrophobicContact CG1-CD1 3.79Å; V116-I120 HydrophobicContact CG1-CG1 4.29Å; V116-I120 WeakPolarHBondContact O-CB 3.13Å; V116-I120 VanDerWaalsContact O-CG1 3.31Å; V116-I120 WeakPolarHBondContact O-CG1 3.24Å; V116-I120 PolarHBondContact O-N 3.45Å; V116-C136 HydrophobicContact CB-CB 3.87Å; V116-C136 HydrophobicContact CG1-CB 3.43Å; V116-C136 VanDerWaalsContact CG1-CB 3.43Å
117	Q	98.3	Very high	96.1	Very high	59 Å²	59	45.2 Å²	45.2	28%	0.276	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-46.5	175.4	-70	172.1	-4.4	0	0	111.8	S113 D114 Y115 R119 I120 R121 C136	S113-Q117 WeakPolarHBondContact O-CG 3.37Å; S113-Q117 PolarHBondContact O-N 2.91Å; D114-Q117 PolarHBondContact O-N 2.78Å; Y115-Q117 VanDerWaalsContact C-N 3.34Å; Q117-R119 VanDerWaalsContact C-N 3.3Å; Q117-R119 PolarHBondContact O-N 2.92Å; Q117-I120 PolarHBondContact O-N 3.34Å; Q117-R121 WeakPolarHBondContact O-CB 3.29Å; Q117-R121 WeakPolarHBondContact O-CG 3.38Å; Q117-R121 PolarHBondContact O-N 2.91Å; Q117-C136 HydrophobicContact CG-CB 4.3Å; Q117-C136 PolarHBondContact NE2-O 3.38Å
118	D	97.8	Very high	95.3	Very high	40 Å²	40	49.1 Å²	49.1	21%	0.214	28%	0.282	C	S	.	.	H	α-helix	trans	-62.6	-38.4	174.5	-72.8	-27.2	0	0	0	111.4	P16 Y21 D114 Y115 R121 A122	P16-D118 HydrophobicContact CB-CB 3.89Å; P16-D118 HydrophobicContact CG-CB 3.81Å; Y21-D118 PolarHBondContact OH-OD2 2.58Å; D114-D118 PolarHBondContact O-N 2.87Å; Y115-D118 PolarHBondContact O-N 3.02Å; D118-R121 PolarHBondContact O-N 3.17Å; D118-R121 IonicContact OD1-CZ 2.79Å; D118-R121 IonicContact OD1-NH1 3.61Å; D118-R121 PolarHBondContact OD1-NH1 3.33Å; D118-R121 IonicContact OD1-NH2 2.73Å; D118-R121 PolarHBondContact OD1-NH2 3.08Å; D118-A122 WeakPolarHBondContact O-CB 3.22Å; D118-A122 PolarHBondContact O-N 3.19Å
119	R	97.4	Very high	94.7	Very high	52 Å²	52	49.4 Å²	49.4	20%	0.196	29%	0.291	C	S	.	.	H	α-helix	trans	-66.1	-45.6	-179.7	-178.6	-179.6	-178.3	-163.5	-2.6	111	P16 Y87 Y115 V116 Q117 A122 L123	P16-R119 HydrophobicContact CG-CB 3.92Å; Y87-R119 PolarHBondContact O-NH1 3.32Å; Y115-R119 HydrophobicContact CE1-CB 4.26Å; Y115-R119 VanDerWaalsContact O-CB 3.23Å; Y115-R119 WeakPolarHBondContact O-CB 3.2Å; Y115-R119 PolarHBondContact O-N 3.01Å; V116-R119 PolarHBondContact O-N 3.31Å; Q117-R119 VanDerWaalsContact C-N 3.3Å; Q117-R119 PolarHBondContact O-N 2.92Å; R119-A122 PolarHBondContact O-N 3.05Å; R119-L123 HydrophobicContact CG-CD1 4.22Å; R119-L123 VanDerWaalsContact O-CG 3.32Å; R119-L123 WeakPolarHBondContact O-CG 3.37Å; R119-L123 PolarHBondContact O-N 3Å
120	I	98	Very high	94.6	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.036	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-42.6	177.4	-69.1	171.2	0	0	0	110.2	L91 V116 Q117 A122 L123 R124 I134 C136	L91-I120 HydrophobicContact CD1-CD1 4.4Å; V116-I120 HydrophobicContact CG1-CD1 3.79Å; V116-I120 HydrophobicContact CG1-CG1 4.29Å; V116-I120 WeakPolarHBondContact O-CB 3.13Å; V116-I120 VanDerWaalsContact O-CG1 3.31Å; V116-I120 WeakPolarHBondContact O-CG1 3.24Å; V116-I120 PolarHBondContact O-N 3.45Å; Q117-I120 PolarHBondContact O-N 3.34Å; I120-A122 VanDerWaalsContact C-N 3.34Å; I120-A122 PolarHBondContact O-N 3.2Å; I120-L123 PolarHBondContact O-N 2.74Å; I120-R124 HydrophobicContact CG2-CG 4.39Å; I120-R124 WeakPolarHBondContact O-CG 3.4Å; I120-R124 PolarHBondContact O-N 2.74Å; I120-I134 HydrophobicContact CD1-CD1 4.21Å; I120-I134 HydrophobicContact CD1-CG1 4.14Å; I120-I134 HydrophobicContact CG1-CD1 3.99Å; I120-I134 HydrophobicContact CG1-CG1 4.19Å; I120-I134 HydrophobicContact CG2-CG1 4.21Å; I120-I134 WeakPolarHBondContact CG2-O 3.12Å; I120-C136 HydrophobicContact CD1-CB 4.35Å
121	R	97.2	Very high	94.9	Very high	142 Å²	142	49.1 Å²	49.1	54%	0.536	30%	0.298	S	S	.	.	H	α-helix	trans	-58.2	-44.7	174.4	-80.6	-172.5	-95.2	121.4	0.1	112.1	Q117 D118 R124 A125	Q117-R121 WeakPolarHBondContact O-CB 3.29Å; Q117-R121 WeakPolarHBondContact O-CG 3.38Å; Q117-R121 PolarHBondContact O-N 2.91Å; D118-R121 PolarHBondContact O-N 3.17Å; D118-R121 IonicContact OD1-CZ 2.79Å; D118-R121 IonicContact OD1-NH1 3.61Å; D118-R121 PolarHBondContact OD1-NH1 3.33Å; D118-R121 IonicContact OD1-NH2 2.73Å; D118-R121 PolarHBondContact OD1-NH2 3.08Å; R121-R124 PolarHBondContact O-N 3.04Å; R121-A125 WeakPolarHBondContact O-CB 3.35Å; R121-A125 PolarHBondContact O-N 2.99Å; R121-A125 VanDerWaalsContact O-N 3.1Å
122	A	96.3	Very high	95	Very high	30 Å²	30	45.7 Å²	45.7	25%	0.248	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-40.2	176.2	0	0	0	0	0	112.5	D118 R119 I120 A125 A126	D118-A122 WeakPolarHBondContact O-CB 3.22Å; D118-A122 PolarHBondContact O-N 3.19Å; R119-A122 PolarHBondContact O-N 3.05Å; I120-A122 VanDerWaalsContact C-N 3.34Å; I120-A122 PolarHBondContact O-N 3.2Å; A122-A125 PolarHBondContact O-N 3.07Å; A122-A126 PolarHBondContact O-N 3.03Å; A122-A126 VanDerWaalsContact O-N 3.08Å
123	L	96.2	Very high	95.1	Very high	43 Å²	43	45.9 Å²	45.9	23%	0.225	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-42.3	176.8	-75.1	169.1	0	0	0	112.5	V92 R119 I120 A125 A126 F131	V92-L123 HydrophobicContact CG1-CD1 4.2Å; V92-L123 HydrophobicContact CG2-CD1 3.59Å; R119-L123 HydrophobicContact CG-CD1 4.22Å; R119-L123 VanDerWaalsContact O-CG 3.32Å; R119-L123 WeakPolarHBondContact O-CG 3.37Å; R119-L123 PolarHBondContact O-N 3Å; I120-L123 PolarHBondContact O-N 2.74Å; L123-A125 VanDerWaalsContact C-N 3.32Å; L123-A125 PolarHBondContact O-N 3.25Å; L123-A126 PolarHBondContact O-N 3.23Å; L123-F131 HydrophobicContact CB-CB 4.18Å; L123-F131 HydrophobicContact CB-CD2 3.71Å; L123-F131 HydrophobicContact CB-CE2 4.28Å; L123-F131 HydrophobicContact CB-CG 3.95Å; L123-F131 HydrophobicContact CD1-CD1 4.32Å; L123-F131 HydrophobicContact CD1-CG 4.34Å; L123-F131 HydrophobicContact CD2-CD2 4.36Å; L123-F131 HydrophobicContact CD2-CE2 4.07Å; L123-F131 HydrophobicContact CD2-CZ 4.36Å; L123-F131 HydrophobicContact CG-CD2 4.44Å
124	R	96.7	Very high	95.2	Very high	46 Å²	46	45.9 Å²	45.9	17%	0.174	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-35.3	176.4	-71.6	174.8	-178.5	-177.2	-2.6	112.6	L49 I120 R121 F131 Q132 I134	L49-R124 PolarHBondContact O-NH1 3.14Å; L49-R124 PolarHBondContact O-NH2 2.79Å; I120-R124 HydrophobicContact CG2-CG 4.39Å; I120-R124 WeakPolarHBondContact O-CG 3.4Å; I120-R124 PolarHBondContact O-N 2.74Å; R121-R124 PolarHBondContact O-N 3.04Å; R124-F131 HydrophobicContact CG-CB 4.27Å; R124-F131 PolarHBondContact NE-O 3.2Å; R124-Q132 PolarHBondContact NH2-O 3.07Å; R124-I134 PolarHBondContact NH2-O 2.57Å
125	A	95.3	Very high	95.3	Very high	72 Å²	72	43.3 Å²	43.3	60%	0.595	27%	0.271	S	S	*	.	H	α-helix	trans	-81.4	-15.1	180	0	0	0	0	0	113.8	R121 A122 L123	R121-A125 WeakPolarHBondContact O-CB 3.35Å; R121-A125 PolarHBondContact O-N 2.99Å; R121-A125 VanDerWaalsContact O-N 3.1Å; A122-A125 PolarHBondContact O-N 3.07Å; L123-A125 VanDerWaalsContact C-N 3.32Å; L123-A125 PolarHBondContact O-N 3.25Å
126	A	93.1	Very high	95.3	Very high	39 Å²	39	42.7 Å²	42.7	32%	0.322	27%	0.269	S	S	.	.	S	Bend	trans	-66.6	154	-176.6	0	0	0	0	0	112.1	A122 L123 G128 G129	A122-A126 PolarHBondContact O-N 3.03Å; A122-A126 VanDerWaalsContact O-N 3.08Å; L123-A126 PolarHBondContact O-N 3.23Å; A126-G128 PolarHBondContact O-N 3.49Å; A126-G129 PolarHBondContact O-N 3.31Å
127	P	88.4	Confident	95.3	Very high	115 Å²	115	43.6 Å²	43.6	75%	0.747	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	127.5	175.4	-25.8	34.8	0	0	0	111.9
128	G	82.3	Confident	95.2	Very high	87 Å²	87	44.3 Å²	44.3	90%	0.897	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.6	-15.9	-174.3	0	0	0	0	0	114.3	A126	A126-G128 PolarHBondContact O-N 3.49Å
129	G	82.5	Confident	95.1	Very high	32 Å²	32	42.5 Å²	42.5	33%	0.33	26%	0.264	S	S	.	.			trans	63.2	-149.9	176.8	0	0	0	0	0	113.7	A126	A126-G129 PolarHBondContact O-N 3.31Å
130	G	93.4	Very high	95	Very high	39 Å²	39	40.3 Å²	40.3	40%	0.402	26%	0.257	S	S	.	.			trans	94.8	-169.9	-177	0	0	0	0	0	113.4	Q132	G130-Q132 PolarHBondContact O-N 3.02Å
131	F	98	Very high	94.8	Very high	48 Å²	48	40.5 Å²	40.5	21%	0.211	26%	0.259	C	S	.	.			trans	57.9	21.8	179.7	-50.7	-81.5	0	0	0	115.1	V92 S95 L123 R124 N133 I134	V92-F131 HydrophobicContact CG1-CE1 3.84Å; V92-F131 HydrophobicContact CG1-CZ 4.41Å; V92-F131 WeakPolarHBondContact O-CE1 3.39Å; S95-F131 WeakPolarHBondContact OG-CA 3.5Å; S95-F131 VanDerWaalsContact OG-CD1 3.32Å; S95-F131 WeakPolarHBondContact OG-CD1 3.28Å; L123-F131 HydrophobicContact CB-CB 4.18Å; L123-F131 HydrophobicContact CB-CD2 3.71Å; L123-F131 HydrophobicContact CB-CE2 4.28Å; L123-F131 HydrophobicContact CB-CG 3.95Å; L123-F131 HydrophobicContact CD1-CD1 4.32Å; L123-F131 HydrophobicContact CD1-CG 4.34Å; L123-F131 HydrophobicContact CD2-CD2 4.36Å; L123-F131 HydrophobicContact CD2-CE2 4.07Å; L123-F131 HydrophobicContact CD2-CZ 4.36Å; L123-F131 HydrophobicContact CG-CD2 4.44Å; R124-F131 HydrophobicContact CG-CB 4.27Å; R124-F131 PolarHBondContact NE-O 3.2Å; F131-N133 PolarHBondContact O-N 2.99Å; F131-I134 HydrophobicContact CB-CD1 4.13Å; F131-I134 HydrophobicContact CB-CG1 4.07Å; F131-I134 HydrophobicContact CD1-CD1 3.9Å; F131-I134 HydrophobicContact CG-CD1 4.47Å; F131-I134 WeakPolarHBondContact O-CG1 3.32Å
132	Q	97.9	Very high	94.6	Very high	30 Å²	30	34.7 Å²	34.7	14%	0.14	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-20.1	179.3	-60.6	-66.1	-6.2	0	0	112.1	Y50 E52 F53 R124 G130	Y50-Q132 WeakPolarHBondContact CD1-O 3.47Å; E52-Q132 HydrophobicContact CB-CB 4.42Å; E52-Q132 VanDerWaalsContact CD-CG 3.45Å; E52-Q132 HydrophobicContact CG-CG 4.29Å; E52-Q132 PolarHBondContact OE1-NE2 3.3Å; E52-Q132 VanDerWaalsContact OE2-CG 3.28Å; E52-Q132 WeakPolarHBondContact OE2-CG 3.38Å; F53-Q132 HydrophobicContact CE2-CB 4.14Å; R124-Q132 PolarHBondContact NH2-O 3.07Å; G130-Q132 PolarHBondContact O-N 3.02Å
133	N	98.5	Very high	94.4	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.027	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	2.4	-179.3	70	-34.3	0	0	0	113.9	Y50 F53 S95 F98 T101 L102 I103 F131	Y50-N133 WeakPolarHBondContact CE1-O 3.4Å; F53-N133 HydrophobicContact CE2-CB 3.88Å; F53-N133 HydrophobicContact CZ-CB 3.72Å; S95-N133 PolarHBondContact O-ND2 2.82Å; S95-N133 PolarHBondContact OG-OD1 3.31Å; F98-N133 PolarHBondContact O-ND2 3.36Å; T101-N133 WeakPolarHBondContact O-CB 3.27Å; T101-N133 PolarHBondContact O-ND2 3.07Å; T101-N133 VanDerWaalsContact O-ND2 3.16Å; L102-N133 CarbonylContact C-O 3.49Å; L102-N133 WeakPolarHBondContact CA-O 3.07Å; L102-N133 HydrophobicContact CD2-CB 4.23Å; I103-N133 PolarHBondContact N-O 3.09Å; F131-N133 PolarHBondContact O-N 2.99Å
134	I	98.8	Very high	94.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.9	179.6	66.2	170	0	0	0	112.7	L91 V92 I103 I120 R124 F131	L91-I134 HydrophobicContact CB-CB 4.4Å; L91-I134 HydrophobicContact CB-CD1 4.09Å; V92-I134 HydrophobicContact CG2-CD1 4.25Å; I103-I134 HydrophobicContact CB-CG2 3.97Å; I103-I134 HydrophobicContact CD1-CG2 4.17Å; I103-I134 HydrophobicContact CG1-CG2 4.29Å; I103-I134 WeakPolarHBondContact O-CA 3.22Å; I120-I134 HydrophobicContact CD1-CD1 4.21Å; I120-I134 HydrophobicContact CD1-CG1 4.14Å; I120-I134 HydrophobicContact CG1-CD1 3.99Å; I120-I134 HydrophobicContact CG1-CG1 4.19Å; I120-I134 HydrophobicContact CG2-CG1 4.21Å; I120-I134 WeakPolarHBondContact CG2-O 3.12Å; R124-I134 PolarHBondContact NH2-O 2.57Å; F131-I134 HydrophobicContact CB-CD1 4.13Å; F131-I134 HydrophobicContact CB-CG1 4.07Å; F131-I134 HydrophobicContact CD1-CD1 3.9Å; F131-I134 HydrophobicContact CG-CD1 4.47Å; F131-I134 WeakPolarHBondContact O-CG1 3.32Å
135	A	98.8	Very high	94.3	Very high	5 Å²	5	33.6 Å²	33.6	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	168.8	174.2	0	0	0	0	0	111.7	L49 Y50 I103 L104 G105	L49-A135 HydrophobicContact CB-CB 3.78Å; L49-A135 HydrophobicContact CD1-CB 4.25Å; L49-A135 HydrophobicContact CD2-CB 4.3Å; L49-A135 HydrophobicContact CG-CB 4.34Å; Y50-A135 HydrophobicContact CD1-CB 4.3Å; Y50-A135 HydrophobicContact CE1-CB 3.59Å; Y50-A135 HydrophobicContact CE2-CB 4.25Å; I103-A135 PolarHBondContact O-N 3.43Å; I103-A135 VanDerWaalsContact O-N 3.08Å; L104-A135 HydrophobicContact CD1-CB 4.06Å; G105-A135 PolarHBondContact N-O 3.07Å
136	C	98.6	Very high	94.4	Very high	3 Å²	3	32 Å²	32	2%	0.02	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.3	174.5	177.8	0	0	0	0	110.8	G105 V116 Q117 I120	G105-C136 CarbonylContact O-C 3.53Å; G105-C136 WeakPolarHBondContact O-CA 3.17Å; V116-C136 HydrophobicContact CB-CB 3.87Å; V116-C136 HydrophobicContact CG1-CB 3.43Å; V116-C136 VanDerWaalsContact CG1-CB 3.43Å; Q117-C136 HydrophobicContact CG-CB 4.3Å; Q117-C136 PolarHBondContact NE2-O 3.38Å; I120-C136 HydrophobicContact CD1-CB 4.35Å
137	L	97.9	Very high	94.6	Very high	21 Å²	21	32 Å²	32	11%	0.11	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.2	-179.3	-169.6	155.5	0	0	0	109.9	M44 L49 L104 G105 E107 S139 F148	M44-L137 HydrophobicContact CE-CD1 3.67Å; M44-L137 HydrophobicContact SD-CD1 4.42Å; L49-L137 HydrophobicContact CD1-CD1 4.13Å; L104-L137 HydrophobicContact CD1-CB 4.05Å; L104-L137 HydrophobicContact CD2-CB 4.42Å; G105-L137 PolarHBondContact O-N 3.15Å; E107-L137 PolarHBondContact N-O 3.37Å; L137-S139 PolarHBondContact O-N 3.08Å; L137-S139 VanDerWaalsContact O-N 3.08Å; L137-S139 PolarHBondContact O-OG 3.48Å; L137-F148 HydrophobicContact CD1-CD1 4.31Å; L137-F148 HydrophobicContact CD1-CE1 3.79Å; L137-F148 HydrophobicContact CD1-CZ 4.33Å; L137-F148 HydrophobicContact CD2-CE1 3.95Å; L137-F148 HydrophobicContact CD2-CE2 4.3Å; L137-F148 HydrophobicContact CD2-CZ 3.64Å
138	R	96.9	Very high	95	Very high	75 Å²	75	26.8 Å²	26.8	28%	0.283	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	105.1	174.1	-171.8	-160.3	170.5	-150.5	-4.3	110.1	T34 L35 E107	T34-R138 PolarHBondContact O-NH1 2.89Å; L35-R138 HydrophobicContact CD2-CG 3.95Å; E107-R138 CarbonylContact O-C 3.42Å; E107-R138 WeakPolarHBondContact O-CA 3.39Å
139	S	95.6	Very high	95.8	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.014	13%	0.129	C	C	.	.			trans	-150.6	164.5	-173.9	49.1	0	0	0	0	112.5	L106 E107 I108 L137	L106-S139 WeakPolarHBondContact CB-OG 3.46Å; L106-S139 WeakPolarHBondContact CD2-OG 3.41Å; L106-S139 WeakPolarHBondContact CG-OG 3.27Å; E107-S139 CarbonylContact C-O 3.53Å; E107-S139 PolarHBondContact O-N 3.08Å; I108-S139 VanDerWaalsContact CA-O 3.26Å; I108-S139 WeakPolarHBondContact CA-O 3.45Å; I108-S139 PolarHBondContact N-O 2.82Å; L137-S139 PolarHBondContact O-N 3.08Å; L137-S139 VanDerWaalsContact O-N 3.08Å; L137-S139 PolarHBondContact O-OG 3.48Å
140	N	95.3	Very high	96.6	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.032	13%	0.13	C	C	.	.			trans	-106.4	101.8	169.1	-173.1	-9	0	0	0	109	P29 L35 I108 M142 K143 H144	P29-N140 PolarHBondContact O-ND2 2.85Å; L35-N140 HydrophobicContact CD1-CB 3.62Å; I108-N140 HydrophobicContact CD1-CB 4.06Å; I108-N140 HydrophobicContact CG1-CB 4.42Å; N140-M142 PolarHBondContact O-N 2.89Å; N140-M142 WeakPolarHBondContact OD1-CB 3.34Å; N140-M142 PolarHBondContact OD1-N 3.48Å; N140-K143 HydrophobicContact CB-CB 4.41Å; N140-K143 WeakPolarHBondContact ND2-CD 3.39Å; N140-K143 PolarHBondContact O-N 2.86Å; N140-K143 VanDerWaalsContact O-N 3.08Å; N140-H144 PolarHBondContact O-N 2.9Å
141	A	92.4	Very high	96.8	Very high	10 Å²	10	30.4 Å²	30.4	8%	0.083	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-23.9	179.2	0	0	0	0	0	112.8	I83 L106 K143 L145	I83-A141 HydrophobicContact CD1-CB 4.27Å; I83-A141 HydrophobicContact CG2-CB 3.43Å; I83-A141 VanDerWaalsContact CG2-CB 3.43Å; L106-A141 HydrophobicContact CD2-CB 4.22Å; A141-K143 PolarHBondContact O-N 2.89Å; A141-L145 HydrophobicContact CB-CD1 4.22Å; A141-L145 HydrophobicContact CB-CG 4.36Å; A141-L145 WeakPolarHBondContact O-CD1 2.87Å; A141-L145 WeakPolarHBondContact O-CG 3.37Å
142	M	93	Very high	96.8	Very high	21 Å²	21	29.1 Å²	29.1	10%	0.103	14%	0.14	C	C	.	.	H	α-helix	trans	-76.9	-4.6	177.2	-65.3	179.1	72.7	0	0	114.4	P29 M30 N140 I175 L180	P29-M142 HydrophobicContact CB-CE 4.45Å; P29-M142 HydrophobicContact CB-CG 4.38Å; P29-M142 HydrophobicContact CB-SD 3.32Å; P29-M142 WeakPolarHBondContact CB-SD 3.5Å; P29-M142 HydrophobicContact CG-CE 4.12Å; P29-M142 HydrophobicContact CG-SD 3.38Å; P29-M142 WeakPolarHBondContact CG-SD 3.18Å; M30-M142 HydrophobicContact CE-CE 3.81Å; N140-M142 PolarHBondContact O-N 2.89Å; N140-M142 WeakPolarHBondContact OD1-CB 3.34Å; N140-M142 PolarHBondContact OD1-N 3.48Å; M142-I175 HydrophobicContact CG-CD1 3.27Å; M142-I175 HydrophobicContact SD-CD1 4.05Å; M142-L180 HydrophobicContact CB-CD1 4.35Å; M142-L180 HydrophobicContact CB-CD2 4.2Å; M142-L180 HydrophobicContact CE-CD1 3.71Å; M142-L180 HydrophobicContact CG-CD1 3.87Å; M142-L180 HydrophobicContact CG-CD2 4.46Å
143	K	92.9	Very high	96.9	Very high	76 Å²	76	28 Å²	28	33%	0.33	14%	0.135	S	C	.	.	H	α-helix	trans	-125.9	-33.1	-175.3	-66.8	-173.6	177.9	180	0	113.7	P29 A31 N140 A141	P29-K143 VanDerWaalsContact O-CE 3.28Å; P29-K143 WeakPolarHBondContact O-CE 3.41Å; A31-K143 PolarHBondContact O-NZ 3.31Å; N140-K143 HydrophobicContact CB-CB 4.41Å; N140-K143 WeakPolarHBondContact ND2-CD 3.39Å; N140-K143 PolarHBondContact O-N 2.86Å; N140-K143 VanDerWaalsContact O-N 3.08Å; A141-K143 PolarHBondContact O-N 2.89Å
144	H	94.2	Very high	96.9	Very high	19 Å²	19	27.7 Å²	27.7	9%	0.088	13%	0.134	C	C	.	.	H	α-helix	trans	-126.3	11.2	-161.8	-47.1	140.3	0	0	0	114.4	Y37 N140 N147 F148	Y37-H144 AromaticContact CD1-CE1 3.34Å; Y37-H144 WeakPolarHBondContact CD1-CE1 3.46Å; Y37-H144 AromaticContact CD1-ND1 3.6Å; Y37-H144 AromaticContact CD1-NE2 3.69Å; Y37-H144 AromaticContact CE1-CE1 3.53Å; Y37-H144 AromaticContact CE1-NE2 3.54Å; Y37-H144 HydrophobicContact CG-CB 4.48Å; Y37-H144 AromaticContact CG-CE1 3.97Å; Y37-H144 AromaticContact CG-CG 3.89Å; Y37-H144 AromaticContact CG-ND1 3.85Å; Y37-H144 AromaticContact CZ-NE2 3.83Å; N140-H144 PolarHBondContact O-N 2.9Å; H144-N147 WeakPolarHBondContact CA-OD1 3.24Å; H144-N147 HydrophobicContact CB-CB 4.36Å; H144-N147 WeakPolarHBondContact O-CB 3.28Å; H144-N147 PolarHBondContact O-N 2.85Å; H144-F148 HydrophobicContact CB-CD2 4.17Å; H144-F148 HydrophobicContact CB-CE2 3.75Å; H144-F148 WeakPolarHBondContact O-CD2 3.25Å; H144-F148 PolarHBondContact O-N 2.95Å
145	L	95.8	Very high	96.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-55.7	-49.7	-178.2	-95.5	165	0	0	0	112.8	I83 L106 A141 N147 F148 F149 M157 Y184	I83-L145 HydrophobicContact CD1-CD2 4.12Å; L106-L145 HydrophobicContact CD2-CD2 4.39Å; A141-L145 HydrophobicContact CB-CD1 4.22Å; A141-L145 HydrophobicContact CB-CG 4.36Å; A141-L145 WeakPolarHBondContact O-CD1 2.87Å; A141-L145 WeakPolarHBondContact O-CG 3.37Å; L145-N147 PolarHBondContact O-N 2.71Å; L145-F148 PolarHBondContact O-N 3.22Å; L145-F148 VanDerWaalsContact O-N 3.16Å; L145-F149 HydrophobicContact CD2-CD2 3.69Å; L145-F149 HydrophobicContact CD2-CE2 3.62Å; L145-F149 PolarHBondContact O-N 3.2Å; L145-F149 VanDerWaalsContact O-N 3.16Å; L145-M157 HydrophobicContact CD1-CE 4.27Å; L145-M157 HydrophobicContact CD2-CE 4.49Å; L145-Y184 HydrophobicContact CD1-CD1 3.62Å; L145-Y184 HydrophobicContact CD1-CE1 3.32Å
146	P	97.4	Very high	96.9	Very high	40 Å²	40	30.2 Å²	30.2	26%	0.26	15%	0.146	S	C	.	.	H	α-helix	trans	-68.4	-14.8	176.7	-21.3	34.8	0	0	0	114.6	P41 E183 Y186	P41-P146 WeakPolarHBondContact CG-O 3.12Å; P146-E183 HydrophobicContact CG-CB 4.16Å; P146-E183 HydrophobicContact CG-CG 4Å; P146-Y186 HydrophobicContact CB-CD1 4.39Å; P146-Y186 HydrophobicContact CB-CE1 4.41Å
147	N	97.9	Very high	96.9	Very high	39 Å²	39	30 Å²	30	21%	0.209	15%	0.145	C	C	.	.	H	α-helix	trans	-74.8	-33.4	172.7	-62	91.2	0	0	0	111.4	P38 V39 K40 P41 H144 L145	P38-N147 HydrophobicContact CG-CB 4.4Å; P38-N147 VanDerWaalsContact CG-O 3.25Å; P38-N147 WeakPolarHBondContact CG-O 3.43Å; P38-N147 WeakPolarHBondContact O-CB 2.64Å; P38-N147 PolarHBondContact O-ND2 3.43Å; V39-N147 PolarHBondContact O-ND2 2.78Å; K40-N147 CarbonylContact C-O 3.55Å; P41-N147 WeakPolarHBondContact CA-O 3.31Å; P41-N147 WeakPolarHBondContact CD-O 3.28Å; H144-N147 WeakPolarHBondContact CA-OD1 3.24Å; H144-N147 HydrophobicContact CB-CB 4.36Å; H144-N147 WeakPolarHBondContact O-CB 3.28Å; H144-N147 PolarHBondContact O-N 2.85Å; L145-N147 PolarHBondContact O-N 2.71Å
148	F	98	Very high	96.9	Very high	4 Å²	4	29 Å²	29	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-87.8	-33	-178.7	-68.5	-69.4	0	0	0	113.5	P38 M44 L137 H144 L145	P38-F148 HydrophobicContact CG-CD1 3.86Å; P38-F148 HydrophobicContact CG-CE1 4.05Å; M44-F148 HydrophobicContact CG-CD1 4.36Å; M44-F148 HydrophobicContact SD-CD1 3.92Å; M44-F148 HydrophobicContact SD-CE1 3.96Å; L137-F148 HydrophobicContact CD1-CD1 4.31Å; L137-F148 HydrophobicContact CD1-CE1 3.79Å; L137-F148 HydrophobicContact CD1-CZ 4.33Å; L137-F148 HydrophobicContact CD2-CE1 3.95Å; L137-F148 HydrophobicContact CD2-CE2 4.3Å; L137-F148 HydrophobicContact CD2-CZ 3.64Å; H144-F148 HydrophobicContact CB-CD2 4.17Å; H144-F148 HydrophobicContact CB-CE2 3.75Å; H144-F148 WeakPolarHBondContact O-CD2 3.25Å; H144-F148 PolarHBondContact O-N 2.95Å; L145-F148 PolarHBondContact O-N 3.22Å; L145-F148 VanDerWaalsContact O-N 3.16Å
149	F	98.4	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-121.6	137.2	-168.7	-56.1	-57	0	0	0	112.8	P41 W46 V78 A81 L104 L106 L145 Q153 L154 V187	P41-F149 VanDerWaalsContact CG-C 3.45Å; P41-F149 WeakPolarHBondContact CG-O 3.5Å; W46-F149 AromaticContact CH2-CE1 3.81Å; W46-F149 HydrophobicContact CH2-CE1 3.81Å; W46-F149 HydrophobicContact CH2-CZ 4.44Å; W46-F149 HydrophobicContact CZ2-CD1 4.21Å; W46-F149 AromaticContact CZ2-CE1 3.91Å; W46-F149 HydrophobicContact CZ2-CE1 3.91Å; V78-F149 HydrophobicContact CB-CE1 3.93Å; V78-F149 HydrophobicContact CG1-CE1 3.76Å; V78-F149 HydrophobicContact CG1-CZ 4.2Å; A81-F149 HydrophobicContact CB-CE2 4.4Å; A81-F149 HydrophobicContact CB-CZ 4.39Å; L104-F149 HydrophobicContact CD2-CE1 4.29Å; L104-F149 HydrophobicContact CD2-CZ 3.83Å; L106-F149 HydrophobicContact CD1-CZ 4.47Å; L145-F149 HydrophobicContact CD2-CD2 3.69Å; L145-F149 HydrophobicContact CD2-CE2 3.62Å; L145-F149 PolarHBondContact O-N 3.2Å; L145-F149 VanDerWaalsContact O-N 3.16Å; F149-Q153 HydrophobicContact CB-CB 4.4Å; F149-L154 HydrophobicContact CD1-CD2 4.02Å; F149-L154 HydrophobicContact CD2-CD1 3.97Å; F149-L154 HydrophobicContact CD2-CD2 4.45Å; F149-L154 HydrophobicContact CD2-CG 4.39Å; F149-L154 HydrophobicContact CE1-CD2 4.01Å; F149-L154 HydrophobicContact CE2-CD1 4.08Å; F149-L154 HydrophobicContact CE2-CD2 4.42Å; F149-L154 HydrophobicContact CG-CD1 4.38Å; F149-L154 HydrophobicContact CG-CD2 4.23Å; F149-L154 HydrophobicContact CG-CG 4.31Å; F149-L154 HydrophobicContact CZ-CD2 4.2Å; F149-V187 HydrophobicContact CB-CB 4Å; F149-V187 HydrophobicContact CB-CG1 3.84Å
150	Y	98.4	Very high	97.2	Very high	92 Å²	92	26.1 Å²	26.1	36%	0.361	13%	0.129	S	C	.	.			trans	-66.3	163.6	170	-61.2	-78.7	0	0	0	111.4	P41 E42 G152 Q153	P41-Y150 HydrophobicContact CB-CD1 3.75Å; P41-Y150 HydrophobicContact CB-CD2 4.03Å; P41-Y150 HydrophobicContact CB-CE1 3.72Å; P41-Y150 HydrophobicContact CB-CE2 3.98Å; P41-Y150 HydrophobicContact CB-CG 3.91Å; P41-Y150 HydrophobicContact CG-CD1 4.21Å; P41-Y150 HydrophobicContact CG-CE1 4.5Å; P41-Y150 HydrophobicContact CG-CG 4.48Å; E42-Y150 WeakPolarHBondContact CA-OH 3.48Å; E42-Y150 HydrophobicContact CB-CE1 4.46Å; E42-Y150 VanDerWaalsContact CB-OH 3.31Å; E42-Y150 WeakPolarHBondContact CB-OH 3.46Å; E42-Y150 PolarHBondContact N-OH 3.08Å; Y150-G152 PolarHBondContact O-N 2.89Å; Y150-Q153 VanDerWaalsContact CD2-OE1 3.23Å; Y150-Q153 WeakPolarHBondContact O-CB 3.38Å; Y150-Q153 PolarHBondContact O-N 3.42Å; Y150-Q153 VanDerWaalsContact O-N 3.16Å
151	K	98.3	Very high	97.3	Very high	143 Å²	143	27.1 Å²	27.1	62%	0.622	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	123.9	171.4	-176.6	171.7	177.1	-81.3	0	110.4	Q153 Y186	K151-Q153 PolarHBondContact O-N 3.02Å; K151-Y186 CarbonylContact C-O 3.57Å; K151-Y186 VanDerWaalsContact CA-O 3.23Å; K151-Y186 WeakPolarHBondContact CA-O 3.37Å; K151-Y186 HydrophobicContact CB-CD1 4.49Å; K151-Y186 HydrophobicContact CB-CD2 4.32Å; K151-Y186 HydrophobicContact CB-CE1 4.04Å; K151-Y186 HydrophobicContact CB-CE2 3.84Å; K151-Y186 HydrophobicContact CD-CD2 4.15Å; K151-Y186 HydrophobicContact CD-CE2 3.85Å; K151-Y186 HydrophobicContact CG-CD2 4.09Å; K151-Y186 HydrophobicContact CG-CE2 3.97Å; K151-Y186 WeakPolarHBondContact CG-O 3.42Å
152	G	98.3	Very high	97.5	Very high	20 Å²	20	27.8 Å²	27.8	21%	0.206	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	17.4	178.8	0	0	0	0	0	115	Y150 Y186 V187 R189	Y150-G152 PolarHBondContact O-N 2.89Å; G152-Y186 PolarHBondContact N-O 3.18Å; G152-V187 CarbonylContact C-O 3.56Å; G152-V187 VanDerWaalsContact C-O 3.29Å; G152-V187 WeakPolarHBondContact CA-O 3.33Å; G152-V187 PolarHBondContact N-O 3.39Å; G152-R189 WeakPolarHBondContact O-CB 3.49Å; G152-R189 PolarHBondContact O-NE 2.98Å
153	Q	98.6	Very high	97.6	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.028	14%	0.142	C	C	.	.			trans	-63.9	-45	178.4	-171.2	-177.5	-41.5	0	0	111.5	Q77 V78 F149 Y150 K151 V187 R189	Q77-Q153 HydrophobicContact CB-CG 4.23Å; V78-Q153 WeakPolarHBondContact O-CG 3.41Å; V78-Q153 PolarHBondContact O-NE2 3.38Å; F149-Q153 HydrophobicContact CB-CB 4.4Å; Y150-Q153 VanDerWaalsContact CD2-OE1 3.23Å; Y150-Q153 WeakPolarHBondContact O-CB 3.38Å; Y150-Q153 PolarHBondContact O-N 3.42Å; Y150-Q153 VanDerWaalsContact O-N 3.16Å; K151-Q153 PolarHBondContact O-N 3.02Å; Q153-V187 PolarHBondContact N-O 2.91Å; Q153-R189 PolarHBondContact O-NH2 3.06Å
154	L	98.9	Very high	97.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	146.5	-174.8	-56.8	-178.6	0	0	0	111.6	V78 E79 A81 F149 M157 V187 L188 R189	V78-L154 HydrophobicContact CG1-CD2 4.19Å; E79-L154 CarbonylContact O-C 3.58Å; E79-L154 VanDerWaalsContact O-CA 3.28Å; E79-L154 WeakPolarHBondContact O-CA 3.38Å; A81-L154 HydrophobicContact CB-CD1 3.71Å; A81-L154 HydrophobicContact CB-CD2 4.24Å; F149-L154 HydrophobicContact CD1-CD2 4.02Å; F149-L154 HydrophobicContact CD2-CD1 3.97Å; F149-L154 HydrophobicContact CD2-CD2 4.45Å; F149-L154 HydrophobicContact CD2-CG 4.39Å; F149-L154 HydrophobicContact CE1-CD2 4.01Å; F149-L154 HydrophobicContact CE2-CD1 4.08Å; F149-L154 HydrophobicContact CE2-CD2 4.42Å; F149-L154 HydrophobicContact CG-CD1 4.38Å; F149-L154 HydrophobicContact CG-CD2 4.23Å; F149-L154 HydrophobicContact CG-CG 4.31Å; F149-L154 HydrophobicContact CZ-CD2 4.2Å; L154-M157 HydrophobicContact CD1-CE 4.5Å; L154-M157 HydrophobicContact CD1-CG 3.8Å; L154-M157 HydrophobicContact CD1-SD 4.06Å; L154-V187 HydrophobicContact CD1-CB 4.37Å; L154-V187 HydrophobicContact CD1-CG2 3.88Å; L154-V187 PolarHBondContact N-O 3Å; L154-L188 HydrophobicContact CB-CD1 4.03Å; L154-L188 WeakPolarHBondContact O-CD1 3.4Å; L154-R189 WeakPolarHBondContact O-CG 3.37Å; L154-R189 PolarHBondContact O-N 3.08Å
155	T	98.9	Very high	97.5	Very high	25 Å²	25	25.8 Å²	25.8	15%	0.153	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-27.7	167.2	55.4	0	0	0	0	111.9	E79 F80 R189 G192 L193	E79-T155 HydrophobicContact CB-CG2 4.31Å; E79-T155 PolarHBondContact O-N 2.88Å; E79-T155 PolarHBondContact O-OG1 3.4Å; F80-T155 VanDerWaalsContact CD1-OG1 3.24Å; F80-T155 WeakPolarHBondContact CD1-OG1 3.44Å; F80-T155 WeakPolarHBondContact CE1-OG1 3.47Å; T155-R189 HydrophobicContact CG2-CG 4.44Å; T155-R189 VanDerWaalsContact CG2-NE 3.33Å; T155-R189 VanDerWaalsContact CG2-NH1 3.27Å; T155-G192 CarbonylContact O-C 3.52Å; T155-G192 WeakPolarHBondContact O-CA 3.09Å; T155-L193 PolarHBondContact O-N 3.38Å
156	K	98.9	Very high	97.2	Very high	32 Å²	32	32.5 Å²	32.5	14%	0.139	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	135.4	-177.4	-58.2	-172.1	-171.7	-73.8	0	112.1	E79 F80 A81 F158 L193 Y195 I230	E79-K156 PolarHBondContact O-N 3.16Å; F80-K156 WeakPolarHBondContact CA-O 3.45Å; F80-K156 HydrophobicContact CD1-CB 3.71Å; F80-K156 HydrophobicContact CD1-CD 3.96Å; F80-K156 HydrophobicContact CD1-CG 3.81Å; F80-K156 HydrophobicContact CD2-CD 4.18Å; F80-K156 HydrophobicContact CE1-CB 4.12Å; F80-K156 HydrophobicContact CE1-CD 3.52Å; F80-K156 HydrophobicContact CE1-CG 3.67Å; F80-K156 HydrophobicContact CE2-CD 3.76Å; F80-K156 HydrophobicContact CG-CB 3.98Å; F80-K156 HydrophobicContact CG-CD 4.31Å; F80-K156 HydrophobicContact CG-CG 4.41Å; F80-K156 HydrophobicContact CZ-CD 3.43Å; F80-K156 VanDerWaalsContact CZ-CD 3.43Å; F80-K156 VanDerWaalsContact CZ-CE 3.43Å; F80-K156 HydrophobicContact CZ-CG 4.13Å; A81-K156 PolarHBondContact N-O 2.79Å; K156-F158 HydrophobicContact CB-CE2 3.89Å; K156-F158 HydrophobicContact CB-CZ 3.72Å; K156-F158 HydrophobicContact CD-CZ 4.05Å; K156-L193 VanDerWaalsContact CA-O 3.32Å; K156-L193 WeakPolarHBondContact CA-O 3.28Å; K156-Y195 HydrophobicContact CB-CE2 4.07Å; K156-Y195 HydrophobicContact CD-CE2 3.86Å; K156-Y195 HydrophobicContact CG-CE2 3.96Å; K156-Y195 PolarHBondContact NZ-OH 2.93Å; K156-I230 HydrophobicContact CD-CD1 3.33Å; K156-I230 VanDerWaalsContact CE-CD1 3.44Å
157	M	98.9	Very high	96.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.7	171.7	-66	178.2	73.8	0	0	110	A81 I83 L145 L154 F159 Y184 V187 L188 L193 V194 Y195	A81-M157 CarbonylContact O-C 3.57Å; A81-M157 WeakPolarHBondContact O-CA 3.5Å; I83-M157 HydrophobicContact CD1-CE 4.24Å; I83-M157 HydrophobicContact CG1-CE 4.15Å; L145-M157 HydrophobicContact CD1-CE 4.27Å; L145-M157 HydrophobicContact CD2-CE 4.49Å; L154-M157 HydrophobicContact CD1-CE 4.5Å; L154-M157 HydrophobicContact CD1-CG 3.8Å; L154-M157 HydrophobicContact CD1-SD 4.06Å; M157-F159 HydrophobicContact CB-CE2 4.05Å; M157-F159 HydrophobicContact CE-CE2 4.26Å; M157-F159 HydrophobicContact CE-CZ 3.91Å; M157-Y184 HydrophobicContact CE-CD1 3.7Å; M157-Y184 HydrophobicContact CE-CE1 4.31Å; M157-Y184 HydrophobicContact CE-CG 3.95Å; M157-V187 HydrophobicContact CE-CG2 4.39Å; M157-V187 HydrophobicContact SD-CG2 4.1Å; M157-L188 HydrophobicContact CG-CD1 4.19Å; M157-L188 HydrophobicContact SD-CB 4.15Å; M157-L188 HydrophobicContact SD-CD1 4.48Å; M157-L188 HydrophobicContact SD-CD2 4.34Å; M157-L193 PolarHBondContact N-O 3.24Å; M157-V194 HydrophobicContact CB-CG2 4.42Å; M157-V194 CarbonylContact O-C 3.57Å; M157-V194 WeakPolarHBondContact O-CA 3.45Å; M157-Y195 PolarHBondContact O-N 3.18Å
158	F	98.9	Very high	96.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.7	-177.9	-49.3	-89.2	0	0	0	110.6	F80 A81 D82 I83 L90 L94 K156 L160 Y195 I230 L234	F80-F158 HydrophobicContact CB-CE2 4.1Å; F80-F158 HydrophobicContact CD2-CE2 4.28Å; F80-F158 HydrophobicContact CD2-CZ 4.28Å; F80-F158 HydrophobicContact CG-CE2 4.33Å; A81-F158 WeakPolarHBondContact O-CD2 3.41Å; A81-F158 PolarHBondContact O-N 3.32Å; D82-F158 HydrophobicContact CB-CD2 4.39Å; I83-F158 WeakPolarHBondContact CB-O 3.36Å; I83-F158 PolarHBondContact N-O 2.71Å; L90-F158 HydrophobicContact CD2-CB 3.69Å; L90-F158 HydrophobicContact CD2-CD1 3.7Å; L90-F158 HydrophobicContact CD2-CD2 3.91Å; L90-F158 HydrophobicContact CD2-CE1 4.33Å; L90-F158 HydrophobicContact CD2-CG 3.47Å; L90-F158 VanDerWaalsContact CD2-CG 3.47Å; L94-F158 HydrophobicContact CD1-CE1 4.09Å; L94-F158 HydrophobicContact CD1-CE2 4.01Å; L94-F158 HydrophobicContact CD1-CZ 3.63Å; K156-F158 HydrophobicContact CB-CE2 3.89Å; K156-F158 HydrophobicContact CB-CZ 3.72Å; K156-F158 HydrophobicContact CD-CZ 4.05Å; F158-L160 HydrophobicContact CB-CD2 4.3Å; F158-L160 HydrophobicContact CB-CG 4.27Å; F158-Y195 WeakPolarHBondContact CA-O 3.49Å; F158-Y195 AromaticContact CD1-CD2 3.73Å; F158-Y195 HydrophobicContact CD1-CD2 3.73Å; F158-Y195 AromaticContact CD1-CG 3.9Å; F158-Y195 HydrophobicContact CD1-CG 3.9Å; F158-Y195 AromaticContact CE1-CD2 3.45Å; F158-Y195 HydrophobicContact CE1-CD2 3.45Å; F158-Y195 VanDerWaalsContact CE1-CD2 3.45Å; F158-Y195 AromaticContact CE1-CE2 3.9Å; F158-Y195 HydrophobicContact CE1-CE2 3.9Å; F158-Y195 AromaticContact CE1-CG 3.87Å; F158-Y195 HydrophobicContact CE1-CG 3.87Å; F158-Y195 HydrophobicContact CZ-CD2 4.2Å; F158-Y195 HydrophobicContact CZ-CE2 4.36Å; F158-I230 HydrophobicContact CD1-CG2 4.46Å; F158-I230 HydrophobicContact CE1-CD1 4.3Å; F158-I230 HydrophobicContact CE1-CG2 3.63Å; F158-I230 HydrophobicContact CZ-CD1 4.22Å; F158-I230 HydrophobicContact CZ-CG2 4.48Å; F158-L234 HydrophobicContact CD1-CD2 4.45Å
159	F	98.8	Very high	96.2	Very high	1 Å²	1	51 Å²	51	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	82.4	173.6	-60.4	-92.2	0	0	0	107.8	I83 M157 I175 I176 Y184 V194 Y195 T196 I197	I83-F159 HydrophobicContact CB-CD1 3.78Å; I83-F159 HydrophobicContact CB-CE1 3.62Å; I83-F159 HydrophobicContact CB-CG 4.49Å; I83-F159 HydrophobicContact CB-CZ 4.22Å; I83-F159 HydrophobicContact CG1-CD1 4.29Å; I83-F159 HydrophobicContact CG1-CE1 3.75Å; I83-F159 HydrophobicContact CG1-CE2 4.42Å; I83-F159 HydrophobicContact CG1-CZ 3.83Å; I83-F159 HydrophobicContact CG2-CD1 3.93Å; I83-F159 HydrophobicContact CG2-CE1 3.58Å; I83-F159 HydrophobicContact CG2-CZ 4.46Å; M157-F159 HydrophobicContact CB-CE2 4.05Å; M157-F159 HydrophobicContact CE-CE2 4.26Å; M157-F159 HydrophobicContact CE-CZ 3.91Å; F159-I175 HydrophobicContact CD1-CB 4.48Å; F159-I175 HydrophobicContact CD1-CG1 3.73Å; F159-I175 HydrophobicContact CD1-CG2 3.85Å; F159-I175 HydrophobicContact CE1-CG1 3.6Å; F159-I175 HydrophobicContact CE1-CG2 4.4Å; F159-I176 HydrophobicContact CD1-CD1 3.97Å; F159-I176 HydrophobicContact CD2-CD1 4.33Å; F159-I176 HydrophobicContact CE1-CD1 4.04Å; F159-I176 HydrophobicContact CE2-CD1 4.4Å; F159-I176 HydrophobicContact CG-CD1 4.11Å; F159-I176 HydrophobicContact CZ-CD1 4.24Å; F159-Y184 HydrophobicContact CE1-CE1 4.47Å; F159-Y184 AromaticContact CE1-CE2 3.9Å; F159-Y184 HydrophobicContact CE1-CE2 3.9Å; F159-Y184 AromaticContact CE1-CZ 3.77Å; F159-Y184 HydrophobicContact CE2-CD2 4.42Å; F159-Y184 HydrophobicContact CE2-CE2 4.36Å; F159-Y184 HydrophobicContact CZ-CD1 4.43Å; F159-Y184 AromaticContact CZ-CD2 3.84Å; F159-Y184 HydrophobicContact CZ-CD2 3.84Å; F159-Y184 HydrophobicContact CZ-CE1 4.11Å; F159-Y184 AromaticContact CZ-CE2 3.49Å; F159-Y184 HydrophobicContact CZ-CE2 3.49Å; F159-Y184 VanDerWaalsContact CZ-CE2 3.49Å; F159-Y184 HydrophobicContact CZ-CG 4.32Å; F159-Y184 AromaticContact CZ-CZ 3.62Å; F159-V194 HydrophobicContact CD2-CG1 3.56Å; F159-V194 HydrophobicContact CE2-CG1 3.56Å; F159-Y195 PolarHBondContact N-O 2.97Å; F159-T196 HydrophobicContact CB-CG2 4.32Å; F159-T196 HydrophobicContact CD2-CG2 4.43Å; F159-T196 WeakPolarHBondContact O-CA 3.18Å; F159-I197 PolarHBondContact O-N 3.24Å
160	L	98.4	Very high	95.8	Very high	15 Å²	15	54.5 Å²	54.5	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	118.5	-174.2	-48.1	-167.2	0	0	0	111.4	L90 F158 I197 L234 T238	L90-L160 HydrophobicContact CB-CD1 4.24Å; L90-L160 HydrophobicContact CD1-CD1 3.97Å; L90-L160 HydrophobicContact CD2-CD1 3.67Å; L90-L160 HydrophobicContact CD2-CG 4.32Å; L90-L160 HydrophobicContact CG-CD1 4.17Å; F158-L160 HydrophobicContact CB-CD2 4.3Å; F158-L160 HydrophobicContact CB-CG 4.27Å; L160-I197 HydrophobicContact CB-CG2 3.87Å; L160-I197 HydrophobicContact CD2-CB 4.44Å; L160-I197 HydrophobicContact CD2-CG2 3.54Å; L160-I197 HydrophobicContact CG-CG2 4.18Å; L160-L234 HydrophobicContact CD1-CD2 4.4Å; L160-L234 HydrophobicContact CD2-CD2 3.74Å; L160-T238 HydrophobicContact CB-CG2 4.26Å; L160-T238 HydrophobicContact CD1-CG2 3.72Å
161	F	97.9	Very high	95.5	Very high	27 Å²	27	52.9 Å²	52.9	12%	0.118	25%	0.249	C	C	.	.	S	Bend	trans	51.8	51	-176.9	-53.4	-85.3	0	0	0	113.3	I197 D199 E240 G241 V244 N251	F161-I197 WeakPolarHBondContact CA-O 3.31Å; F161-I197 HydrophobicContact CD2-CG2 4.11Å; F161-I197 HydrophobicContact CE2-CG2 3.75Å; F161-I197 HydrophobicContact CZ-CD1 4.42Å; F161-I197 HydrophobicContact CZ-CG1 4.4Å; F161-I197 HydrophobicContact CZ-CG2 4.06Å; F161-I197 PolarHBondContact N-O 2.93Å; F161-D199 HydrophobicContact CE1-CB 4.33Å; F161-E240 HydrophobicContact CB-CB 3.94Å; F161-E240 HydrophobicContact CB-CG 3.72Å; F161-E240 HydrophobicContact CD1-CB 4.45Å; F161-E240 HydrophobicContact CD1-CG 4.04Å; F161-E240 HydrophobicContact CD2-CB 4.01Å; F161-E240 HydrophobicContact CD2-CG 4.45Å; F161-E240 HydrophobicContact CG-CB 3.86Å; F161-E240 HydrophobicContact CG-CG 3.81Å; F161-G241 VanDerWaalsContact CE2-CA 3.44Å; F161-V244 HydrophobicContact CD1-CG2 4.44Å; F161-V244 HydrophobicContact CE1-CG2 3.98Å; F161-N251 WeakPolarHBondContact CE1-OD1 3.44Å
162	P	96.9	Very high	95.1	Very high	23 Å²	23	53 Å²	53	15%	0.149	25%	0.25	C	C	.	.			trans	-62.7	154.1	177.4	27.6	-32.6	0	0	0	111	P164 I175 L203 M207	P162-P164 WeakPolarHBondContact O-CD 3.36Å; P162-I175 HydrophobicContact CB-CG2 3.66Å; P162-I175 HydrophobicContact CG-CG2 4.26Å; P162-L203 HydrophobicContact CG-CD2 3.92Å; P162-L203 VanDerWaalsContact O-CD2 3.31Å; P162-L203 WeakPolarHBondContact O-CD2 3.46Å; P162-M207 HydrophobicContact CG-SD 4.04Å
163	D	94.3	Very high	94.9	Very high	40 Å²	40	54.2 Å²	54.2	21%	0.214	25%	0.248	C	C	.	.			trans	-62.1	120.6	179.3	-173	-20.1	0	0	0	110.9	H26 H165	H26-D163 WeakPolarHBondContact CB-OD2 3.48Å; H26-D163 IonicContact CE1-OD1 3.16Å; H26-D163 IonicContact CE1-OD2 2.92Å; H26-D163 IonicContact CG-OD2 3.66Å; H26-D163 VanDerWaalsContact CG-OD2 3.32Å; H26-D163 IonicContact ND1-OD1 3.59Å; H26-D163 PolarHBondContact ND1-OD1 3.33Å; H26-D163 IonicContact ND1-OD2 3.19Å; H26-D163 PolarHBondContact ND1-OD2 2.87Å; D163-H165 PolarHBondContact O-N 3.38Å; D163-H165 IonicContact OD1-CE1 2.7Å; D163-H165 IonicContact OD1-CG 2.71Å; D163-H165 PolarHBondContact OD1-N 2.97Å; D163-H165 IonicContact OD1-ND1 3.71Å; D163-H165 PolarHBondContact OD1-ND1 3.06Å; D163-H165 VanDerWaalsContact OD1-ND1 3.16Å; D163-H165 IonicContact OD2-CE1 3.84Å; D163-H165 PolarHBondContact OD2-CE1 2.82Å; D163-H165 IonicContact OD2-ND1 3.43Å; D163-H165 PolarHBondContact OD2-ND1 3.15Å; D163-H165 IonicContact OD2-NE2 3.32Å
164	P	93.1	Very high	94.7	Very high	16 Å²	16	54 Å²	54	10%	0.104	25%	0.247	C	C	.	.			trans	-69.5	-21.7	-177.6	26.2	-35	0	0	0	113.5	P162 F166 R174 V200 L203	P162-P164 WeakPolarHBondContact O-CD 3.36Å; P164-F166 HydrophobicContact CB-CD1 4.14Å; P164-F166 HydrophobicContact CB-CD2 4.49Å; P164-F166 HydrophobicContact CB-CE1 3.83Å; P164-F166 HydrophobicContact CB-CE2 4.2Å; P164-F166 HydrophobicContact CB-CG 4.46Å; P164-F166 HydrophobicContact CB-CZ 3.86Å; P164-F166 HydrophobicContact CG-CD1 4.31Å; P164-F166 HydrophobicContact CG-CD2 3.89Å; P164-F166 HydrophobicContact CG-CE1 3.81Å; P164-F166 HydrophobicContact CG-CE2 3.34Å; P164-F166 HydrophobicContact CG-CG 4.35Å; P164-F166 HydrophobicContact CG-CZ 3.3Å; P164-F166 PolarHBondContact O-N 3.32Å; P164-R174 PolarHBondContact O-NE 3.48Å; P164-R174 PolarHBondContact O-NH2 2.64Å; P164-V200 HydrophobicContact CB-CG1 4.34Å; P164-V200 HydrophobicContact CB-CG2 4.36Å; P164-V200 HydrophobicContact CG-CG2 4.31Å; P164-L203 HydrophobicContact CB-CB 4.31Å; P164-L203 HydrophobicContact CB-CD2 3.95Å
165	H	92.6	Very high	94.6	Very high	18 Å²	18	55.3 Å²	55.3	8%	0.083	25%	0.254	C	S	.	.			trans	44	55.2	-176.3	-68.9	-44.3	0	0	0	113.9	D163 K167 K170 H171 W173 R174	D163-H165 PolarHBondContact O-N 3.38Å; D163-H165 IonicContact OD1-CE1 2.7Å; D163-H165 IonicContact OD1-CG 2.71Å; D163-H165 PolarHBondContact OD1-N 2.97Å; D163-H165 IonicContact OD1-ND1 3.71Å; D163-H165 PolarHBondContact OD1-ND1 3.06Å; D163-H165 VanDerWaalsContact OD1-ND1 3.16Å; D163-H165 IonicContact OD2-CE1 3.84Å; D163-H165 PolarHBondContact OD2-CE1 2.82Å; D163-H165 IonicContact OD2-ND1 3.43Å; D163-H165 PolarHBondContact OD2-ND1 3.15Å; D163-H165 IonicContact OD2-NE2 3.32Å; H165-K167 PolarHBondContact O-N 3.38Å; H165-K170 HydrophobicContact CB-CB 3.99Å; H165-H171 PolarHBondContact O-CD2 2.9Å; H165-W173 WeakPolarHBondContact CD2-CB 3.35Å; H165-W173 PolarHBondContact CD2-O 3.07Å; H165-W173 WeakPolarHBondContact NE2-CB 3.34Å; H165-W173 PolarHBondContact NE2-O 3.12Å; H165-R174 HydrophobicContact CB-CG 4.17Å
166	F	89.5	Confident	94.5	Very high	141 Å²	141	54.1 Å²	54.1	62%	0.618	25%	0.246	S	C	*	.			trans	-46.8	-20.7	-171.5	-60.3	-73.6	0	0	0	117.9	P164 V200	P164-F166 HydrophobicContact CB-CD1 4.14Å; P164-F166 HydrophobicContact CB-CD2 4.49Å; P164-F166 HydrophobicContact CB-CE1 3.83Å; P164-F166 HydrophobicContact CB-CE2 4.2Å; P164-F166 HydrophobicContact CB-CG 4.46Å; P164-F166 HydrophobicContact CB-CZ 3.86Å; P164-F166 HydrophobicContact CG-CD1 4.31Å; P164-F166 HydrophobicContact CG-CD2 3.89Å; P164-F166 HydrophobicContact CG-CE1 3.81Å; P164-F166 HydrophobicContact CG-CE2 3.34Å; P164-F166 HydrophobicContact CG-CG 4.35Å; P164-F166 HydrophobicContact CG-CZ 3.3Å; P164-F166 PolarHBondContact O-N 3.32Å; F166-V200 HydrophobicContact CE1-CG1 3.78Å; F166-V200 HydrophobicContact CE1-CG2 4.24Å; F166-V200 HydrophobicContact CZ-CG1 4.42Å; F166-V200 HydrophobicContact CZ-CG2 4.05Å
167	K	90.2	Very high	94.3	Very high	143 Å²	143	54 Å²	54	62%	0.622	25%	0.25	S	C	*	.	S	Bend	trans	-82.5	125	178.2	-65.2	-174.5	174.3	-174.8	0	108.7	H165 T169 K170 H171	H165-K167 PolarHBondContact O-N 3.38Å; K167-T169 PolarHBondContact O-N 3.13Å; K167-K170 HydrophobicContact CB-CB 4.48Å; K167-K170 HydrophobicContact CB-CD 4.33Å; K167-K170 HydrophobicContact CB-CG 4.25Å; K167-K170 WeakPolarHBondContact O-CA 3.49Å; K167-K170 WeakPolarHBondContact O-CB 3.46Å; K167-K170 PolarHBondContact O-N 3.35Å; K167-H171 PolarHBondContact O-CD2 3.16Å; K167-H171 VanDerWaalsContact O-CD2 3.32Å; K167-H171 PolarHBondContact O-N 3.03Å
168	R	89.4	Confident	93.8	Very high	217 Å²	217	58 Å²	58	82%	0.819	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-45.7	-41.4	177.8	-170.2	173.2	68.4	-173.5	1.2	114.3	K170 H171	R168-K170 PolarHBondContact O-N 3.48Å; R168-K170 VanDerWaalsContact O-N 3.12Å; R168-H171 PolarHBondContact O-N 3.12Å; R168-H171 VanDerWaalsContact O-N 3.13Å
169	T	92	Very high	93.4	Very high	111 Å²	111	62.9 Å²	62.9	68%	0.681	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-63.5	-15.8	178	53.1	0	0	0	0	114.4	K167	K167-T169 PolarHBondContact O-N 3.13Å
170	K	91.1	Very high	93.4	Very high	74 Å²	74	63.2 Å²	63.2	32%	0.322	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-106.7	1.4	179	-60.8	-173.4	170.3	-168.8	0	113.4	H165 K167 R168 K172 W173	H165-K170 HydrophobicContact CB-CB 3.99Å; K167-K170 HydrophobicContact CB-CB 4.48Å; K167-K170 HydrophobicContact CB-CD 4.33Å; K167-K170 HydrophobicContact CB-CG 4.25Å; K167-K170 WeakPolarHBondContact O-CA 3.49Å; K167-K170 WeakPolarHBondContact O-CB 3.46Å; K167-K170 PolarHBondContact O-N 3.35Å; R168-K170 PolarHBondContact O-N 3.48Å; R168-K170 VanDerWaalsContact O-N 3.12Å; K170-K172 PolarHBondContact O-N 3.04Å; K170-K172 VanDerWaalsContact O-N 3.15Å; K170-W173 HydrophobicContact CB-CD2 4.26Å; K170-W173 HydrophobicContact CB-CE3 3.87Å; K170-W173 HydrophobicContact CB-CZ3 4.31Å; K170-W173 HydrophobicContact CD-CE3 3.78Å; K170-W173 HydrophobicContact CD-CH2 4.24Å; K170-W173 HydrophobicContact CD-CZ3 3.46Å; K170-W173 VanDerWaalsContact CD-CZ3 3.46Å; K170-W173 VanDerWaalsContact CE-CZ3 3.43Å; K170-W173 HydrophobicContact CG-CD2 4.41Å; K170-W173 HydrophobicContact CG-CE3 3.8Å; K170-W173 HydrophobicContact CG-CH2 4.22Å; K170-W173 HydrophobicContact CG-CZ3 3.72Å; K170-W173 WeakPolarHBondContact O-CB 3.35Å; K170-W173 PolarHBondContact O-N 3.07Å
171	H	91.8	Very high	93.4	Very high	58 Å²	58	62.5 Å²	62.5	27%	0.269	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-59.9	-28.7	177.4	-71.9	-164.4	0	0	0	112.2	H165 K167 R168 W173 R174	H165-H171 PolarHBondContact O-CD2 2.9Å; K167-H171 PolarHBondContact O-CD2 3.16Å; K167-H171 VanDerWaalsContact O-CD2 3.32Å; K167-H171 PolarHBondContact O-N 3.03Å; R168-H171 PolarHBondContact O-N 3.12Å; R168-H171 VanDerWaalsContact O-N 3.13Å; H171-W173 PolarHBondContact O-N 3.47Å; H171-R174 PolarHBondContact NE2-NH2 3Å; H171-R174 WeakPolarHBondContact O-CB 3.27Å; H171-R174 WeakPolarHBondContact O-CG 3.38Å; H171-R174 PolarHBondContact O-N 3.47Å
172	K	90	Very high	93.3	Very high	146 Å²	146	63.7 Å²	63.7	64%	0.635	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-60	-11.8	170.7	66.4	175.9	179.7	178.8	0	115.2	K170	K170-K172 PolarHBondContact O-N 3.04Å; K170-K172 VanDerWaalsContact O-N 3.15Å
173	W	93.5	Very high	93.4	Very high	46 Å²	46	64.9 Å²	64.9	17%	0.174	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-97.8	-6.9	175.8	-59.7	-19	0	0	0	112.6	N28 P29 H165 K170 H171	N28-W173 HydrophobicContact CB-CH2 4.38Å; N28-W173 HydrophobicContact CB-CZ2 4.48Å; N28-W173 VanDerWaalsContact OD1-CE2 3.3Å; N28-W173 PolarHBondContact OD1-NE1 3.45Å; P29-W173 HydrophobicContact CG-CB 3.8Å; P29-W173 HydrophobicContact CG-CG 4.09Å; H165-W173 WeakPolarHBondContact CD2-CB 3.35Å; H165-W173 PolarHBondContact CD2-O 3.07Å; H165-W173 WeakPolarHBondContact NE2-CB 3.34Å; H165-W173 PolarHBondContact NE2-O 3.12Å; K170-W173 HydrophobicContact CB-CD2 4.26Å; K170-W173 HydrophobicContact CB-CE3 3.87Å; K170-W173 HydrophobicContact CB-CZ3 4.31Å; K170-W173 HydrophobicContact CD-CE3 3.78Å; K170-W173 HydrophobicContact CD-CH2 4.24Å; K170-W173 HydrophobicContact CD-CZ3 3.46Å; K170-W173 VanDerWaalsContact CD-CZ3 3.46Å; K170-W173 VanDerWaalsContact CE-CZ3 3.43Å; K170-W173 HydrophobicContact CG-CD2 4.41Å; K170-W173 HydrophobicContact CG-CE3 3.8Å; K170-W173 HydrophobicContact CG-CH2 4.22Å; K170-W173 HydrophobicContact CG-CZ3 3.72Å; K170-W173 WeakPolarHBondContact O-CB 3.35Å; K170-W173 PolarHBondContact O-N 3.07Å; H171-W173 PolarHBondContact O-N 3.47Å
174	R	95.6	Very high	93.6	Very high	2 Å²	2	63 Å²	63	1%	0.008	31%	0.312	C	S	.	.	S	Bend	trans	-67.5	145.5	176	-66	177.2	173.3	-175.2	-6.9	109.6	P164 H165 H171 I176 E202 W206	P164-R174 PolarHBondContact O-NE 3.48Å; P164-R174 PolarHBondContact O-NH2 2.64Å; H165-R174 HydrophobicContact CB-CG 4.17Å; H171-R174 PolarHBondContact NE2-NH2 3Å; H171-R174 WeakPolarHBondContact O-CB 3.27Å; H171-R174 WeakPolarHBondContact O-CG 3.38Å; H171-R174 PolarHBondContact O-N 3.47Å; R174-I176 VanDerWaalsContact C-N 3.34Å; R174-I176 PolarHBondContact O-N 3.47Å; R174-E202 IonicContact CZ-OE1 3.49Å; R174-E202 IonicContact CZ-OE2 3.63Å; R174-E202 IonicContact NH1-OE1 3.73Å; R174-E202 PolarHBondContact NH1-OE1 2.95Å; R174-E202 IonicContact NH1-OE2 3.88Å; R174-E202 VanDerWaalsContact NH2-CD 3.27Å; R174-E202 IonicContact NH2-OE1 3.54Å; R174-E202 PolarHBondContact NH2-OE1 2.79Å; R174-E202 IonicContact NH2-OE2 2.75Å; R174-E202 PolarHBondContact NH2-OE2 2.75Å; R174-W206 HydrophobicContact CB-CH2 3.04Å; R174-W206 HydrophobicContact CB-CZ2 3.6Å; R174-W206 HydrophobicContact CB-CZ3 3.6Å; R174-W206 HydrophobicContact CG-CH2 3.95Å; R174-W206 HydrophobicContact CG-CZ2 4.22Å; R174-W206 HydrophobicContact CG-CZ3 4.27Å
175	I	95.9	Very high	93.9	Very high	26 Å²	26	62.2 Å²	62.2	13%	0.133	31%	0.307	C	S	.	.	S	Bend	trans	-74.8	-18.1	-171.3	-163.7	60.7	0	0	0	113.6	I83 M142 F159 P162 L180 Y184	I83-I175 HydrophobicContact CG2-CD1 4.16Å; I83-I175 HydrophobicContact CG2-CG1 4.15Å; M142-I175 HydrophobicContact CG-CD1 3.27Å; M142-I175 HydrophobicContact SD-CD1 4.05Å; F159-I175 HydrophobicContact CD1-CB 4.48Å; F159-I175 HydrophobicContact CD1-CG1 3.73Å; F159-I175 HydrophobicContact CD1-CG2 3.85Å; F159-I175 HydrophobicContact CE1-CG1 3.6Å; F159-I175 HydrophobicContact CE1-CG2 4.4Å; P162-I175 HydrophobicContact CB-CG2 3.66Å; P162-I175 HydrophobicContact CG-CG2 4.26Å; I175-L180 WeakPolarHBondContact O-CD1 3.36Å; I175-Y184 WeakPolarHBondContact CD1-OH 3.46Å; I175-Y184 WeakPolarHBondContact CG1-OH 3.44Å; I175-Y184 PolarHBondContact O-OH 3.04Å
176	I	97.4	Very high	94.1	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.324	C	S	.	.			trans	-106.7	81.1	179.4	-47.2	-55.7	0	0	0	112.2	F159 R174 L181 Y184 W206 M207 H210 F211	F159-I176 HydrophobicContact CD1-CD1 3.97Å; F159-I176 HydrophobicContact CD2-CD1 4.33Å; F159-I176 HydrophobicContact CE1-CD1 4.04Å; F159-I176 HydrophobicContact CE2-CD1 4.4Å; F159-I176 HydrophobicContact CG-CD1 4.11Å; F159-I176 HydrophobicContact CZ-CD1 4.24Å; R174-I176 VanDerWaalsContact C-N 3.34Å; R174-I176 PolarHBondContact O-N 3.47Å; I176-L181 HydrophobicContact CG2-CD1 4.31Å; I176-L181 HydrophobicContact CG2-CD2 3.89Å; I176-L181 HydrophobicContact CG2-CG 4.19Å; I176-Y184 HydrophobicContact CD1-CE2 3.9Å; I176-W206 HydrophobicContact CB-CE3 4.17Å; I176-W206 HydrophobicContact CB-CH2 3.68Å; I176-W206 HydrophobicContact CB-CZ3 3.35Å; I176-W206 HydrophobicContact CG1-CZ3 3.97Å; I176-W206 HydrophobicContact CG2-CZ3 4.45Å; I176-W206 VanDerWaalsContact N-CH2 3.34Å; I176-W206 WeakPolarHBondContact O-CH2 3.26Å; I176-W206 WeakPolarHBondContact O-CZ2 3.38Å; I176-W206 WeakPolarHBondContact O-CZ3 3.32Å; I176-M207 HydrophobicContact CB-CG 4.2Å; I176-M207 HydrophobicContact CG1-CB 4.37Å; I176-M207 HydrophobicContact CG1-CG 3.65Å; I176-M207 HydrophobicContact CG1-SD 3.89Å; I176-H210 HydrophobicContact CG2-CB 4.1Å; I176-F211 HydrophobicContact CB-CE2 4.41Å; I176-F211 HydrophobicContact CD1-CE2 3.75Å; I176-F211 HydrophobicContact CD1-CZ 3.95Å; I176-F211 HydrophobicContact CG1-CE2 3.99Å; I176-F211 HydrophobicContact CG2-CD2 3.8Å; I176-F211 HydrophobicContact CG2-CE2 3.52Å; I176-F211 HydrophobicContact CG2-CZ 4.16Å
177	S	93.4	Very high	94.6	Very high	31 Å²	31	60 Å²	60	22%	0.217	30%	0.295	C	S	.	.			trans	-111.1	161.9	175.5	68.6	0	0	0	0	111.2	T179 L180 L181	S177-T179 PolarHBondContact O-N 2.89Å; S177-L180 PolarHBondContact O-N 3.12Å; S177-L180 WeakPolarHBondContact OG-CD1 3.38Å; S177-L180 WeakPolarHBondContact OG-CG 3.22Å; S177-L180 PolarHBondContact OG-N 3.28Å; S177-L181 WeakPolarHBondContact O-CG 3.32Å; S177-L181 PolarHBondContact O-N 3.41Å
178	P	90.1	Very high	95	Very high	84 Å²	84	53.2 Å²	53.2	55%	0.545	27%	0.265	S	S	.	.	H	α-helix	trans	-53.6	-41.1	178.8	-27.5	36.5	0	0	0	113.2	L181 A182	P178-L181 PolarHBondContact O-N 2.89Å; P178-A182 PolarHBondContact O-N 3.26Å
179	T	90.7	Very high	95.4	Very high	102 Å²	102	47.1 Å²	47.1	63%	0.626	24%	0.242	S	C	*	.	H	α-helix	trans	-64	-44.8	176.6	-53.6	0	0	0	0	112.1	S177 L181 A182 E183	S177-T179 PolarHBondContact O-N 2.89Å; T179-L181 VanDerWaalsContact C-N 3.34Å; T179-L181 PolarHBondContact O-N 3.21Å; T179-A182 WeakPolarHBondContact O-CB 3.4Å; T179-A182 PolarHBondContact O-N 2.69Å; T179-E183 PolarHBondContact O-N 2.87Å
180	L	97	Very high	95.7	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-68.9	-33.9	-179.5	-72.1	171.7	0	0	0	112.1	M142 I175 S177 A182 E183 Y184	M142-L180 HydrophobicContact CB-CD1 4.35Å; M142-L180 HydrophobicContact CB-CD2 4.2Å; M142-L180 HydrophobicContact CE-CD1 3.71Å; M142-L180 HydrophobicContact CG-CD1 3.87Å; M142-L180 HydrophobicContact CG-CD2 4.46Å; I175-L180 WeakPolarHBondContact O-CD1 3.36Å; S177-L180 PolarHBondContact O-N 3.12Å; S177-L180 WeakPolarHBondContact OG-CD1 3.38Å; S177-L180 WeakPolarHBondContact OG-CG 3.22Å; S177-L180 PolarHBondContact OG-N 3.28Å; L180-A182 VanDerWaalsContact C-N 3.26Å; L180-A182 PolarHBondContact O-N 3.4Å; L180-E183 WeakPolarHBondContact O-CB 3.28Å; L180-E183 PolarHBondContact O-N 3.18Å; L180-E183 VanDerWaalsContact O-N 3.11Å; L180-Y184 HydrophobicContact CB-CE1 4.11Å; L180-Y184 HydrophobicContact CB-CE2 3.96Å; L180-Y184 HydrophobicContact CD2-CE1 4.46Å; L180-Y184 WeakPolarHBondContact O-CD1 3.46Å; L180-Y184 WeakPolarHBondContact O-CD2 3.33Å; L180-Y184 PolarHBondContact O-N 2.86Å
181	L	98.3	Very high	96.1	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-36.8	174.9	-72.4	176.1	0	0	0	112.3	I176 S177 P178 T179 Y184 A185 H210 F211 H214 F217	I176-L181 HydrophobicContact CG2-CD1 4.31Å; I176-L181 HydrophobicContact CG2-CD2 3.89Å; I176-L181 HydrophobicContact CG2-CG 4.19Å; S177-L181 WeakPolarHBondContact O-CG 3.32Å; S177-L181 PolarHBondContact O-N 3.41Å; P178-L181 PolarHBondContact O-N 2.89Å; T179-L181 VanDerWaalsContact C-N 3.34Å; T179-L181 PolarHBondContact O-N 3.21Å; L181-Y184 HydrophobicContact CD2-CD2 4.04Å; L181-Y184 PolarHBondContact O-N 3.49Å; L181-A185 VanDerWaalsContact O-CB 3.32Å; L181-A185 WeakPolarHBondContact O-CB 3.33Å; L181-A185 PolarHBondContact O-N 2.86Å; L181-H210 HydrophobicContact CD1-CB 3.95Å; L181-H210 WeakPolarHBondContact CD1-O 3.25Å; L181-F211 HydrophobicContact CD2-CD1 3.45Å; L181-F211 VanDerWaalsContact CD2-CD1 3.45Å; L181-F211 HydrophobicContact CD2-CD2 4.31Å; L181-F211 HydrophobicContact CD2-CE1 3.17Å; L181-F211 HydrophobicContact CD2-CE2 4.09Å; L181-F211 HydrophobicContact CD2-CG 4.01Å; L181-F211 HydrophobicContact CD2-CZ 3.5Å; L181-F211 VanDerWaalsContact CD2-CZ 3.5Å; L181-H214 HydrophobicContact CB-CB 4.48Å; L181-H214 HydrophobicContact CD1-CB 3.88Å; L181-F217 HydrophobicContact CB-CE2 4.3Å; L181-F217 HydrophobicContact CD2-CD2 4.33Å; L181-F217 HydrophobicContact CD2-CE2 4.07Å; L181-F217 WeakPolarHBondContact O-CE2 3.49Å
182	A	97.5	Very high	96.4	Very high	51 Å²	51	41.3 Å²	41.3	42%	0.421	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-41.9	173.9	0	0	0	0	0	111.8	P178 T179 L180 A185 Y186	P178-A182 PolarHBondContact O-N 3.26Å; T179-A182 WeakPolarHBondContact O-CB 3.4Å; T179-A182 PolarHBondContact O-N 2.69Å; L180-A182 VanDerWaalsContact C-N 3.26Å; L180-A182 PolarHBondContact O-N 3.4Å; A182-A185 PolarHBondContact O-N 3.18Å; A182-Y186 WeakPolarHBondContact O-CB 3.32Å; A182-Y186 PolarHBondContact O-N 3.23Å
183	E	98.1	Very high	96.8	Very high	48 Å²	48	35.2 Å²	35.2	22%	0.224	20%	0.2	C	C	.	.	H	α-helix	trans	-65	-41.6	174.5	-66.7	-177.9	-162.1	0	0	111.8	P146 T179 L180 Y186 V187	P146-E183 HydrophobicContact CG-CB 4.16Å; P146-E183 HydrophobicContact CG-CG 4Å; T179-E183 PolarHBondContact O-N 2.87Å; L180-E183 WeakPolarHBondContact O-CB 3.28Å; L180-E183 PolarHBondContact O-N 3.18Å; L180-E183 VanDerWaalsContact O-N 3.11Å; E183-Y186 WeakPolarHBondContact O-CB 3.38Å; E183-Y186 PolarHBondContact O-N 3.49Å; E183-V187 PolarHBondContact O-N 2.8Å; E183-V187 VanDerWaalsContact O-N 3.09Å
184	Y	98.7	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-45.1	176.6	-56.7	-16.1	0	0	0	110.7	L145 M157 F159 I175 I176 L180 L181 Y186 V187 L188	L145-Y184 HydrophobicContact CD1-CD1 3.62Å; L145-Y184 HydrophobicContact CD1-CE1 3.32Å; M157-Y184 HydrophobicContact CE-CD1 3.7Å; M157-Y184 HydrophobicContact CE-CE1 4.31Å; M157-Y184 HydrophobicContact CE-CG 3.95Å; F159-Y184 HydrophobicContact CE1-CE1 4.47Å; F159-Y184 AromaticContact CE1-CE2 3.9Å; F159-Y184 HydrophobicContact CE1-CE2 3.9Å; F159-Y184 AromaticContact CE1-CZ 3.77Å; F159-Y184 HydrophobicContact CE2-CD2 4.42Å; F159-Y184 HydrophobicContact CE2-CE2 4.36Å; F159-Y184 HydrophobicContact CZ-CD1 4.43Å; F159-Y184 AromaticContact CZ-CD2 3.84Å; F159-Y184 HydrophobicContact CZ-CD2 3.84Å; F159-Y184 HydrophobicContact CZ-CE1 4.11Å; F159-Y184 AromaticContact CZ-CE2 3.49Å; F159-Y184 HydrophobicContact CZ-CE2 3.49Å; F159-Y184 VanDerWaalsContact CZ-CE2 3.49Å; F159-Y184 HydrophobicContact CZ-CG 4.32Å; F159-Y184 AromaticContact CZ-CZ 3.62Å; I175-Y184 WeakPolarHBondContact CD1-OH 3.46Å; I175-Y184 WeakPolarHBondContact CG1-OH 3.44Å; I175-Y184 PolarHBondContact O-OH 3.04Å; I176-Y184 HydrophobicContact CD1-CE2 3.9Å; L180-Y184 HydrophobicContact CB-CE1 4.11Å; L180-Y184 HydrophobicContact CB-CE2 3.96Å; L180-Y184 HydrophobicContact CD2-CE1 4.46Å; L180-Y184 WeakPolarHBondContact O-CD1 3.46Å; L180-Y184 WeakPolarHBondContact O-CD2 3.33Å; L180-Y184 PolarHBondContact O-N 2.86Å; L181-Y184 HydrophobicContact CD2-CD2 4.04Å; L181-Y184 PolarHBondContact O-N 3.49Å; Y184-Y186 PolarHBondContact O-N 3.08Å; Y184-V187 PolarHBondContact O-N 3.21Å; Y184-L188 WeakPolarHBondContact O-CB 3.46Å; Y184-L188 PolarHBondContact O-N 2.82Å
185	A	98.4	Very high	97.3	Very high	1 Å²	1	33 Å²	33	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-66.7	-24.5	177	0	0	0	0	0	113.5	L181 A182 L216 F217 R258	L181-A185 VanDerWaalsContact O-CB 3.32Å; L181-A185 WeakPolarHBondContact O-CB 3.33Å; L181-A185 PolarHBondContact O-N 2.86Å; A182-A185 PolarHBondContact O-N 3.18Å; A185-L216 HydrophobicContact CB-CB 3.91Å; A185-L216 HydrophobicContact CB-CD1 3.63Å; A185-L216 HydrophobicContact CB-CG 4.4Å; A185-F217 HydrophobicContact CB-CE2 3.8Å; A185-F217 HydrophobicContact CB-CZ 3.85Å; A185-R258 PolarHBondContact O-NE 2.8Å; A185-R258 PolarHBondContact O-NH2 3.07Å; A185-R258 VanDerWaalsContact O-NH2 3.13Å
186	Y	98.4	Very high	97.4	Very high	112 Å²	112	31.7 Å²	31.7	44%	0.439	19%	0.185	S	C	.	.	H	α-helix	trans	-71	-52	173.2	179	-94.1	0	0	0	110.9	P146 K151 G152 A182 E183 Y184	P146-Y186 HydrophobicContact CB-CD1 4.39Å; P146-Y186 HydrophobicContact CB-CE1 4.41Å; K151-Y186 CarbonylContact C-O 3.57Å; K151-Y186 VanDerWaalsContact CA-O 3.23Å; K151-Y186 WeakPolarHBondContact CA-O 3.37Å; K151-Y186 HydrophobicContact CB-CD1 4.49Å; K151-Y186 HydrophobicContact CB-CD2 4.32Å; K151-Y186 HydrophobicContact CB-CE1 4.04Å; K151-Y186 HydrophobicContact CB-CE2 3.84Å; K151-Y186 HydrophobicContact CD-CD2 4.15Å; K151-Y186 HydrophobicContact CD-CE2 3.85Å; K151-Y186 HydrophobicContact CG-CD2 4.09Å; K151-Y186 HydrophobicContact CG-CE2 3.97Å; K151-Y186 WeakPolarHBondContact CG-O 3.42Å; G152-Y186 PolarHBondContact N-O 3.18Å; A182-Y186 WeakPolarHBondContact O-CB 3.32Å; A182-Y186 PolarHBondContact O-N 3.23Å; E183-Y186 WeakPolarHBondContact O-CB 3.38Å; E183-Y186 PolarHBondContact O-N 3.49Å; Y184-Y186 PolarHBondContact O-N 3.08Å
187	V	98.6	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-78.8	-23.5	-176.4	-58.7	0	0	0	0	113.7	F149 G152 Q153 L154 M157 E183 Y184	F149-V187 HydrophobicContact CB-CB 4Å; F149-V187 HydrophobicContact CB-CG1 3.84Å; G152-V187 CarbonylContact C-O 3.56Å; G152-V187 VanDerWaalsContact C-O 3.29Å; G152-V187 WeakPolarHBondContact CA-O 3.33Å; G152-V187 PolarHBondContact N-O 3.39Å; Q153-V187 PolarHBondContact N-O 2.91Å; L154-V187 HydrophobicContact CD1-CB 4.37Å; L154-V187 HydrophobicContact CD1-CG2 3.88Å; L154-V187 PolarHBondContact N-O 3Å; M157-V187 HydrophobicContact CE-CG2 4.39Å; M157-V187 HydrophobicContact SD-CG2 4.1Å; E183-V187 PolarHBondContact O-N 2.8Å; E183-V187 VanDerWaalsContact O-N 3.09Å; Y184-V187 PolarHBondContact O-N 3.21Å
188	L	98.8	Very high	97.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.5	179.8	-170.4	64.2	0	0	0	111.5	L154 M157 Y184 V194 F217 R258	L154-L188 HydrophobicContact CB-CD1 4.03Å; L154-L188 WeakPolarHBondContact O-CD1 3.4Å; M157-L188 HydrophobicContact CG-CD1 4.19Å; M157-L188 HydrophobicContact SD-CB 4.15Å; M157-L188 HydrophobicContact SD-CD1 4.48Å; M157-L188 HydrophobicContact SD-CD2 4.34Å; Y184-L188 WeakPolarHBondContact O-CB 3.46Å; Y184-L188 PolarHBondContact O-N 2.82Å; L188-V194 HydrophobicContact CD2-CG2 3.47Å; L188-V194 VanDerWaalsContact CD2-CG2 3.47Å; L188-F217 HydrophobicContact CD2-CE1 4.09Å; L188-R258 HydrophobicContact CB-CG 4.3Å; L188-R258 HydrophobicContact CD2-CB 3.76Å; L188-R258 HydrophobicContact CD2-CG 4.31Å; L188-R258 HydrophobicContact CG-CB 3.97Å; L188-R258 HydrophobicContact CG-CG 4.28Å; L188-R258 PolarHBondContact O-NE 3.16Å
189	R	98.6	Very high	98.1	Very high	90 Å²	90	29.7 Å²	29.7	34%	0.34	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	157.9	179	67.2	-174.1	72.1	162.8	5.6	112.5	E79 G152 Q153 L154 T155 G191 G192 R258	E79-R189 IonicContact OE1-CZ 3.66Å; E79-R189 IonicContact OE1-NH1 3.6Å; E79-R189 IonicContact OE1-NH2 2.81Å; E79-R189 PolarHBondContact OE1-NH2 3.3Å; G152-R189 WeakPolarHBondContact O-CB 3.49Å; G152-R189 PolarHBondContact O-NE 2.98Å; Q153-R189 PolarHBondContact O-NH2 3.06Å; L154-R189 WeakPolarHBondContact O-CG 3.37Å; L154-R189 PolarHBondContact O-N 3.08Å; T155-R189 HydrophobicContact CG2-CG 4.44Å; T155-R189 VanDerWaalsContact CG2-NE 3.33Å; T155-R189 VanDerWaalsContact CG2-NH1 3.27Å; R189-G191 PolarHBondContact O-N 2.87Å; R189-G192 WeakPolarHBondContact O-CA 3.28Å; R189-G192 PolarHBondContact O-N 3.32Å; R189-R258 WeakPolarHBondContact O-CB 3.44Å
190	V	98.6	Very high	98.4	Very high	72 Å²	72	26 Å²	26	44%	0.436	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	132.2	165.7	179.2	0	0	0	0	109.3	G192 R258 Q260	V190-G192 PolarHBondContact O-N 3.33Å; V190-R258 CarbonylContact C-O 3.58Å; V190-R258 WeakPolarHBondContact CA-O 3.35Å; V190-Q260 HydrophobicContact CB-CG 4.31Å; V190-Q260 HydrophobicContact CG1-CG 3.83Å; V190-Q260 HydrophobicContact CG2-CG 3.45Å; V190-Q260 VanDerWaalsContact CG2-CG 3.45Å
191	G	98.5	Very high	98.4	Very high	44 Å²	44	29.9 Å²	29.9	45%	0.454	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.8	-10.9	-173.8	0	0	0	0	0	114.2	R189 R258	R189-G191 PolarHBondContact O-N 2.87Å; G191-R258 PolarHBondContact N-O 3.45Å
192	G	98.8	Very high	98.4	Very high	4 Å²	4	33.8 Å²	33.8	4%	0.041	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	154	173.6	0	0	0	0	0	112	T155 R189 V190 R257 R258	T155-G192 CarbonylContact O-C 3.52Å; T155-G192 WeakPolarHBondContact O-CA 3.09Å; R189-G192 WeakPolarHBondContact O-CA 3.28Å; R189-G192 PolarHBondContact O-N 3.32Å; V190-G192 PolarHBondContact O-N 3.33Å; G192-R257 WeakPolarHBondContact O-CA 3.41Å; G192-R258 PolarHBondContact O-N 3.34Å
193	L	98.9	Very high	98.4	Very high	19 Å²	19	31.4 Å²	31.4	10%	0.099	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.6	-173.2	-65.9	175.7	0	0	0	111.8	T155 K156 M157 Y195 V220 L225 I255 F256 R257	T155-L193 PolarHBondContact O-N 3.38Å; K156-L193 VanDerWaalsContact CA-O 3.32Å; K156-L193 WeakPolarHBondContact CA-O 3.28Å; M157-L193 PolarHBondContact N-O 3.24Å; L193-Y195 HydrophobicContact CB-CD2 4.29Å; L193-Y195 HydrophobicContact CB-CE2 3.58Å; L193-Y195 HydrophobicContact CD1-CE2 4.47Å; L193-Y195 VanDerWaalsContact CD1-OH 3.29Å; L193-Y195 WeakPolarHBondContact CD1-OH 3.47Å; L193-V220 HydrophobicContact CD2-CG2 4.14Å; L193-L225 HydrophobicContact CD1-CD2 4.41Å; L193-I255 HydrophobicContact CB-CG2 4.38Å; L193-I255 HydrophobicContact CD2-CG2 4.1Å; L193-F256 CarbonylContact C-O 3.47Å; L193-F256 WeakPolarHBondContact CA-O 3.27Å; L193-R257 HydrophobicContact CD2-CB 3.81Å; L193-R257 HydrophobicContact CD2-CG 4.09Å
194	V	98.9	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.5	167.7	-177.1	0	0	0	0	108.5	M157 F159 L188 T196 F211 F217 I255 F256	M157-V194 HydrophobicContact CB-CG2 4.42Å; M157-V194 CarbonylContact O-C 3.57Å; M157-V194 WeakPolarHBondContact O-CA 3.45Å; F159-V194 HydrophobicContact CD2-CG1 3.56Å; F159-V194 HydrophobicContact CE2-CG1 3.56Å; L188-V194 HydrophobicContact CD2-CG2 3.47Å; L188-V194 VanDerWaalsContact CD2-CG2 3.47Å; V194-T196 HydrophobicContact CG1-CG2 4.02Å; V194-F211 HydrophobicContact CB-CE1 4.26Å; V194-F211 HydrophobicContact CB-CZ 4.31Å; V194-F211 HydrophobicContact CG1-CE1 4.11Å; V194-F211 HydrophobicContact CG1-CE2 4.42Å; V194-F211 HydrophobicContact CG1-CZ 3.67Å; V194-F211 HydrophobicContact CG2-CE1 4.13Å; V194-F211 HydrophobicContact CG2-CZ 4.47Å; V194-F217 HydrophobicContact CG2-CD1 4.49Å; V194-F217 HydrophobicContact CG2-CE1 3.83Å; V194-I255 CarbonylContact O-C 3.5Å; V194-I255 VanDerWaalsContact O-CA 3.27Å; V194-I255 WeakPolarHBondContact O-CA 3.2Å; V194-F256 HydrophobicContact CB-CB 4.41Å; V194-F256 PolarHBondContact N-O 3.49Å; V194-F256 PolarHBondContact O-N 2.73Å
195	Y	98.9	Very high	98.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	118.7	177.5	-58.8	-98.2	0	0	0	109.3	K156 M157 F158 F159 L193 D228 I230 V231 L234 I255	K156-Y195 HydrophobicContact CB-CE2 4.07Å; K156-Y195 HydrophobicContact CD-CE2 3.86Å; K156-Y195 HydrophobicContact CG-CE2 3.96Å; K156-Y195 PolarHBondContact NZ-OH 2.93Å; M157-Y195 PolarHBondContact O-N 3.18Å; F158-Y195 WeakPolarHBondContact CA-O 3.49Å; F158-Y195 AromaticContact CD1-CD2 3.73Å; F158-Y195 HydrophobicContact CD1-CD2 3.73Å; F158-Y195 AromaticContact CD1-CG 3.9Å; F158-Y195 HydrophobicContact CD1-CG 3.9Å; F158-Y195 AromaticContact CE1-CD2 3.45Å; F158-Y195 HydrophobicContact CE1-CD2 3.45Å; F158-Y195 VanDerWaalsContact CE1-CD2 3.45Å; F158-Y195 AromaticContact CE1-CE2 3.9Å; F158-Y195 HydrophobicContact CE1-CE2 3.9Å; F158-Y195 AromaticContact CE1-CG 3.87Å; F158-Y195 HydrophobicContact CE1-CG 3.87Å; F158-Y195 HydrophobicContact CZ-CD2 4.2Å; F158-Y195 HydrophobicContact CZ-CE2 4.36Å; F159-Y195 PolarHBondContact N-O 2.97Å; L193-Y195 HydrophobicContact CB-CD2 4.29Å; L193-Y195 HydrophobicContact CB-CE2 3.58Å; L193-Y195 HydrophobicContact CD1-CE2 4.47Å; L193-Y195 VanDerWaalsContact CD1-OH 3.29Å; L193-Y195 WeakPolarHBondContact CD1-OH 3.47Å; Y195-D228 VanDerWaalsContact CE1-OD2 3.28Å; Y195-D228 WeakPolarHBondContact CE1-OD2 3.32Å; Y195-D228 PolarHBondContact OH-OD2 2.98Å; Y195-I230 HydrophobicContact CD1-CG2 3.91Å; Y195-I230 HydrophobicContact CE1-CB 4.15Å; Y195-I230 HydrophobicContact CE1-CG2 3.77Å; Y195-I230 HydrophobicContact CE2-CD1 4.42Å; Y195-I230 HydrophobicContact CG-CG2 4.35Å; Y195-V231 HydrophobicContact CE1-CG2 4.43Å; Y195-L234 HydrophobicContact CD1-CD1 4.26Å; Y195-L234 HydrophobicContact CD1-CD2 4.22Å; Y195-L234 HydrophobicContact CG-CD2 4.33Å; Y195-I255 HydrophobicContact CD1-CG1 3.69Å; Y195-I255 HydrophobicContact CD1-CG2 4.38Å; Y195-I255 HydrophobicContact CE1-CG1 4.24Å; Y195-I255 HydrophobicContact CE1-CG2 4.45Å; Y195-I255 HydrophobicContact CG-CG1 4.41Å
196	T	98.8	Very high	98.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.5	175	75.3	0	0	0	0	110.1	F159 V194 M207 F211 P253 A254 F256	F159-T196 HydrophobicContact CB-CG2 4.32Å; F159-T196 HydrophobicContact CD2-CG2 4.43Å; F159-T196 WeakPolarHBondContact O-CA 3.18Å; V194-T196 HydrophobicContact CG1-CG2 4.02Å; T196-M207 HydrophobicContact CG2-SD 4.23Å; T196-F211 HydrophobicContact CG2-CE2 4.04Å; T196-P253 CarbonylContact O-C 3.6Å; T196-P253 VanDerWaalsContact O-CA 3.28Å; T196-P253 WeakPolarHBondContact O-CA 3.17Å; T196-A254 WeakPolarHBondContact CA-O 3.39Å; T196-A254 WeakPolarHBondContact CB-O 3.36Å; T196-A254 PolarHBondContact N-O 3.1Å; T196-A254 PolarHBondContact O-N 3.14Å; T196-A254 PolarHBondContact OG1-O 3.33Å; T196-F256 HydrophobicContact CG2-CD2 4.32Å; T196-F256 HydrophobicContact CG2-CE2 4.09Å
197	I	98.6	Very high	98.4	Very high	5 Å²	5	30 Å²	30	3%	0.026	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	142.1	169.1	-163.9	170.2	0	0	0	109.3	F159 L160 F161 L234 N251 P253	F159-I197 PolarHBondContact O-N 3.24Å; L160-I197 HydrophobicContact CB-CG2 3.87Å; L160-I197 HydrophobicContact CD2-CB 4.44Å; L160-I197 HydrophobicContact CD2-CG2 3.54Å; L160-I197 HydrophobicContact CG-CG2 4.18Å; F161-I197 WeakPolarHBondContact CA-O 3.31Å; F161-I197 HydrophobicContact CD2-CG2 4.11Å; F161-I197 HydrophobicContact CE2-CG2 3.75Å; F161-I197 HydrophobicContact CZ-CD1 4.42Å; F161-I197 HydrophobicContact CZ-CG1 4.4Å; F161-I197 HydrophobicContact CZ-CG2 4.06Å; F161-I197 PolarHBondContact N-O 2.93Å; I197-L234 HydrophobicContact CB-CB 4.41Å; I197-L234 HydrophobicContact CD1-CB 3.75Å; I197-L234 HydrophobicContact CG2-CB 4.29Å; I197-N251 HydrophobicContact CD1-CB 3.89Å; I197-N251 HydrophobicContact CG1-CB 4.09Å; I197-P253 HydrophobicContact CD1-CB 4.31Å; I197-P253 HydrophobicContact CG1-CB 4.19Å
198	T	98.5	Very high	98.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	158.6	174.3	-178.9	0	0	0	0	109.8	V200 L203 H204 M207 F252	T198-V200 WeakPolarHBondContact CG2-O 3.32Å; T198-V200 PolarHBondContact OG1-N 3.2Å; T198-V200 VanDerWaalsContact OG1-N 3.16Å; T198-L203 HydrophobicContact CG2-CB 4.26Å; T198-L203 HydrophobicContact CG2-CG 4.49Å; T198-H204 HydrophobicContact CG2-CB 3.75Å; T198-M207 HydrophobicContact CG2-CE 3.76Å; T198-F252 PolarHBondContact N-O 3.48Å; T198-F252 WeakPolarHBondContact O-CD2 3.34Å; T198-F252 PolarHBondContact O-N 2.87Å
199	D	97.5	Very high	98.4	Very high	67 Å²	67	33.4 Å²	33.4	36%	0.358	18%	0.183	S	C	.	.	S	Bend	trans	-92.8	2.6	170.5	62.2	-37.8	0	0	0	112.9	F161 V244 K250	F161-D199 HydrophobicContact CE1-CB 4.33Å; D199-V244 HydrophobicContact CB-CG1 4.02Å; D199-V244 HydrophobicContact CB-CG2 3.72Å; D199-K250 WeakPolarHBondContact CA-O 2.85Å; D199-K250 WeakPolarHBondContact CB-O 3.25Å
200	V	97.7	Very high	98.4	Very high	25 Å²	25	31 Å²	31	15%	0.152	18%	0.175	C	C	.	.			trans	-110.3	108.4	-179.7	-178.3	0	0	0	0	110.2	P164 F166 T198 E202 L203 H204	P164-V200 HydrophobicContact CB-CG1 4.34Å; P164-V200 HydrophobicContact CB-CG2 4.36Å; P164-V200 HydrophobicContact CG-CG2 4.31Å; F166-V200 HydrophobicContact CE1-CG1 3.78Å; F166-V200 HydrophobicContact CE1-CG2 4.24Å; F166-V200 HydrophobicContact CZ-CG1 4.42Å; F166-V200 HydrophobicContact CZ-CG2 4.05Å; T198-V200 WeakPolarHBondContact CG2-O 3.32Å; T198-V200 PolarHBondContact OG1-N 3.2Å; T198-V200 VanDerWaalsContact OG1-N 3.16Å; V200-E202 VanDerWaalsContact C-N 3.34Å; V200-E202 HydrophobicContact CG1-CB 4.49Å; V200-E202 PolarHBondContact O-N 3.39Å; V200-L203 HydrophobicContact CB-CB 3.98Å; V200-L203 HydrophobicContact CG1-CB 4.01Å; V200-L203 PolarHBondContact O-N 3.05Å; V200-H204 PolarHBondContact O-N 2.93Å
201	L	97.9	Very high	98.4	Very high	88 Å²	88	27.6 Å²	27.6	46%	0.461	16%	0.155	S	C	.	.	H	α-helix	trans	-56.9	-43.4	-178	-178.5	60.6	0	0	0	112.8	L203 H204 D205 F252	L201-L203 VanDerWaalsContact C-N 3.27Å; L201-L203 PolarHBondContact O-N 3.28Å; L201-H204 WeakPolarHBondContact O-CA 3.49Å; L201-H204 WeakPolarHBondContact O-CB 3.44Å; L201-H204 PolarHBondContact O-N 3.46Å; L201-H204 VanDerWaalsContact O-N 3.08Å; L201-D205 VanDerWaalsContact O-CG 3.3Å; L201-D205 PolarHBondContact O-N 3.21Å; L201-F252 HydrophobicContact CB-CD2 4.44Å; L201-F252 HydrophobicContact CB-CE2 3.97Å; L201-F252 HydrophobicContact CB-CZ 4.02Å; L201-F252 HydrophobicContact CD1-CD1 4.05Å; L201-F252 HydrophobicContact CD1-CE1 3.99Å; L201-F252 HydrophobicContact CD1-CG 4.42Å; L201-F252 HydrophobicContact CD1-CZ 4.32Å
202	E	97.6	Very high	98.3	Very high	83 Å²	83	30.2 Å²	30.2	39%	0.388	16%	0.155	S	C	.	.	H	α-helix	trans	-62.1	-35.1	177.9	-178.8	-84	156.4	0	0	112.6	R174 V200 W206	R174-E202 IonicContact CZ-OE1 3.49Å; R174-E202 IonicContact CZ-OE2 3.63Å; R174-E202 IonicContact NH1-OE1 3.73Å; R174-E202 PolarHBondContact NH1-OE1 2.95Å; R174-E202 IonicContact NH1-OE2 3.88Å; R174-E202 VanDerWaalsContact NH2-CD 3.27Å; R174-E202 IonicContact NH2-OE1 3.54Å; R174-E202 PolarHBondContact NH2-OE1 2.79Å; R174-E202 IonicContact NH2-OE2 2.75Å; R174-E202 PolarHBondContact NH2-OE2 2.75Å; V200-E202 VanDerWaalsContact C-N 3.34Å; V200-E202 HydrophobicContact CG1-CB 4.49Å; V200-E202 PolarHBondContact O-N 3.39Å; E202-W206 VanDerWaalsContact O-CB 3.22Å; E202-W206 WeakPolarHBondContact O-CB 3.35Å; E202-W206 PolarHBondContact O-N 3.43Å
203	L	98	Very high	98.2	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-71.4	-38.4	175	-174.7	63.6	0	0	0	110.8	P162 P164 T198 V200 L201 W206 M207	P162-L203 HydrophobicContact CG-CD2 3.92Å; P162-L203 VanDerWaalsContact O-CD2 3.31Å; P162-L203 WeakPolarHBondContact O-CD2 3.46Å; P164-L203 HydrophobicContact CB-CB 4.31Å; P164-L203 HydrophobicContact CB-CD2 3.95Å; T198-L203 HydrophobicContact CG2-CB 4.26Å; T198-L203 HydrophobicContact CG2-CG 4.49Å; V200-L203 HydrophobicContact CB-CB 3.98Å; V200-L203 HydrophobicContact CG1-CB 4.01Å; V200-L203 PolarHBondContact O-N 3.05Å; L201-L203 VanDerWaalsContact C-N 3.27Å; L201-L203 PolarHBondContact O-N 3.28Å; L203-W206 HydrophobicContact CD1-CD2 4.46Å; L203-W206 HydrophobicContact CD1-CE3 3.69Å; L203-W206 HydrophobicContact CD1-CZ3 4.06Å; L203-W206 PolarHBondContact O-N 3.05Å; L203-M207 HydrophobicContact CG-CE 4.48Å; L203-M207 VanDerWaalsContact O-CG 3.27Å; L203-M207 WeakPolarHBondContact O-CG 3.36Å; L203-M207 PolarHBondContact O-N 3.34Å
204	H	98.6	Very high	98.2	Very high	18 Å²	18	37.3 Å²	37.3	8%	0.083	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-51.7	173.9	171.9	86.9	0	0	0	111.4	T198 V200 L201 W206 M207 C208 F252 P253	T198-H204 HydrophobicContact CG2-CB 3.75Å; V200-H204 PolarHBondContact O-N 2.93Å; L201-H204 WeakPolarHBondContact O-CA 3.49Å; L201-H204 WeakPolarHBondContact O-CB 3.44Å; L201-H204 PolarHBondContact O-N 3.46Å; L201-H204 VanDerWaalsContact O-N 3.08Å; H204-W206 VanDerWaalsContact C-N 3.28Å; H204-W206 PolarHBondContact O-N 3.26Å; H204-M207 PolarHBondContact O-N 3.38Å; H204-C208 PolarHBondContact O-N 3.01Å; H204-C208 PolarHBondContact O-SG 3.48Å; H204-F252 HydrophobicContact CB-CB 3.75Å; H204-F252 HydrophobicContact CB-CG 4.39Å; H204-F252 WeakPolarHBondContact ND1-CB 3.4Å; H204-F252 PolarHBondContact ND1-O 3.32Å; H204-F252 VanDerWaalsContact ND1-O 3.08Å; H204-P253 PolarHBondContact CE1-O 2.9Å
205	D	98.3	Very high	98.1	Very high	79 Å²	79	40.8 Å²	40.8	42%	0.422	21%	0.209	S	C	.	.	H	α-helix	trans	-61.1	-40.8	179.5	-63.1	-23.1	0	0	0	110.8	L201 C208 T209	L201-D205 VanDerWaalsContact O-CG 3.3Å; L201-D205 PolarHBondContact O-N 3.21Å; D205-C208 PolarHBondContact O-N 3.43Å; D205-T209 WeakPolarHBondContact O-CB 3.24Å; D205-T209 PolarHBondContact O-N 2.88Å; D205-T209 PolarHBondContact O-OG1 3.45Å
206	W	97.9	Very high	98.1	Very high	35 Å²	35	42.5 Å²	42.5	13%	0.133	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-46.3	175.2	178.4	86.4	0	0	0	112	R174 I176 E202 L203 H204 H210	R174-W206 HydrophobicContact CB-CH2 3.04Å; R174-W206 HydrophobicContact CB-CZ2 3.6Å; R174-W206 HydrophobicContact CB-CZ3 3.6Å; R174-W206 HydrophobicContact CG-CH2 3.95Å; R174-W206 HydrophobicContact CG-CZ2 4.22Å; R174-W206 HydrophobicContact CG-CZ3 4.27Å; I176-W206 HydrophobicContact CB-CE3 4.17Å; I176-W206 HydrophobicContact CB-CH2 3.68Å; I176-W206 HydrophobicContact CB-CZ3 3.35Å; I176-W206 HydrophobicContact CG1-CZ3 3.97Å; I176-W206 HydrophobicContact CG2-CZ3 4.45Å; I176-W206 VanDerWaalsContact N-CH2 3.34Å; I176-W206 WeakPolarHBondContact O-CH2 3.26Å; I176-W206 WeakPolarHBondContact O-CZ2 3.38Å; I176-W206 WeakPolarHBondContact O-CZ3 3.32Å; E202-W206 VanDerWaalsContact O-CB 3.22Å; E202-W206 WeakPolarHBondContact O-CB 3.35Å; E202-W206 PolarHBondContact O-N 3.43Å; L203-W206 HydrophobicContact CD1-CD2 4.46Å; L203-W206 HydrophobicContact CD1-CE3 3.69Å; L203-W206 HydrophobicContact CD1-CZ3 4.06Å; L203-W206 PolarHBondContact O-N 3.05Å; H204-W206 VanDerWaalsContact C-N 3.28Å; H204-W206 PolarHBondContact O-N 3.26Å; W206-H210 AromaticContact CD1-CE1 3.28Å; W206-H210 AromaticContact CD1-ND1 3.7Å; W206-H210 AromaticContact CE2-CE1 3.64Å; W206-H210 AromaticContact CE2-ND1 3.83Å; W206-H210 AromaticContact CG-CE1 3.98Å; W206-H210 AromaticContact CG-ND1 3.96Å; W206-H210 AromaticContact NE1-CE1 3Å; W206-H210 PolarHBondContact NE1-CE1 3.24Å; W206-H210 AromaticContact NE1-ND1 3.59Å; W206-H210 AromaticContact NE1-NE2 3.56Å; W206-H210 PolarHBondContact O-N 3.43Å; W206-H210 PolarHBondContact O-ND1 2.95Å
207	M	98.5	Very high	98.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-47.8	176.5	-68.1	-171.1	-63.2	0	0	111	P162 I176 T196 T198 L203 H204 T209 H210 F211	P162-M207 HydrophobicContact CG-SD 4.04Å; I176-M207 HydrophobicContact CB-CG 4.2Å; I176-M207 HydrophobicContact CG1-CB 4.37Å; I176-M207 HydrophobicContact CG1-CG 3.65Å; I176-M207 HydrophobicContact CG1-SD 3.89Å; T196-M207 HydrophobicContact CG2-SD 4.23Å; T198-M207 HydrophobicContact CG2-CE 3.76Å; L203-M207 HydrophobicContact CG-CE 4.48Å; L203-M207 VanDerWaalsContact O-CG 3.27Å; L203-M207 WeakPolarHBondContact O-CG 3.36Å; L203-M207 PolarHBondContact O-N 3.34Å; H204-M207 PolarHBondContact O-N 3.38Å; M207-T209 PolarHBondContact O-N 3.01Å; M207-H210 PolarHBondContact O-N 3.47Å; M207-F211 VanDerWaalsContact O-CD2 3.27Å; M207-F211 WeakPolarHBondContact O-CD2 3.38Å; M207-F211 PolarHBondContact O-N 3.28Å
208	C	98.5	Very high	98.1	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-49.4	179.1	-63	0	0	0	0	111.7	H204 D205 H210 F211 E212 F256	H204-C208 PolarHBondContact O-N 3.01Å; H204-C208 PolarHBondContact O-SG 3.48Å; D205-C208 PolarHBondContact O-N 3.43Å; C208-H210 VanDerWaalsContact C-N 3.35Å; C208-H210 PolarHBondContact O-N 2.68Å; C208-F211 PolarHBondContact O-N 2.66Å; C208-E212 VanDerWaalsContact O-CB 3.28Å; C208-E212 WeakPolarHBondContact O-CB 3.49Å; C208-E212 WeakPolarHBondContact O-CG 3.42Å; C208-E212 PolarHBondContact O-N 2.93Å; C208-F256 HydrophobicContact CB-CZ 4.35Å
209	T	98.1	Very high	98.1	Very high	64 Å²	64	51.4 Å²	51.4	39%	0.393	26%	0.255	S	S	.	.	H	α-helix	trans	-54.2	-50.5	178.9	-56.4	0	0	0	0	111.3	D205 M207 E212 E213	D205-T209 WeakPolarHBondContact O-CB 3.24Å; D205-T209 PolarHBondContact O-N 2.88Å; D205-T209 PolarHBondContact O-OG1 3.45Å; M207-T209 PolarHBondContact O-N 3.01Å; T209-E212 PolarHBondContact O-N 3.43Å; T209-E213 HydrophobicContact CG2-CG 4.45Å; T209-E213 WeakPolarHBondContact CG2-OE1 3.49Å; T209-E213 WeakPolarHBondContact O-CB 3.47Å; T209-E213 VanDerWaalsContact O-CG 3.22Å; T209-E213 WeakPolarHBondContact O-CG 3.43Å; T209-E213 PolarHBondContact O-N 3.3Å
210	H	98.4	Very high	98.1	Very high	40 Å²	40	48.4 Å²	48.4	19%	0.185	24%	0.239	C	C	.	.	H	α-helix	trans	-70.5	-37.3	-175.5	-69.5	71	0	0	0	112.6	I176 L181 W206 M207 C208 H214	I176-H210 HydrophobicContact CG2-CB 4.1Å; L181-H210 HydrophobicContact CD1-CB 3.95Å; L181-H210 WeakPolarHBondContact CD1-O 3.25Å; W206-H210 AromaticContact CD1-CE1 3.28Å; W206-H210 AromaticContact CD1-ND1 3.7Å; W206-H210 AromaticContact CE2-CE1 3.64Å; W206-H210 AromaticContact CE2-ND1 3.83Å; W206-H210 AromaticContact CG-CE1 3.98Å; W206-H210 AromaticContact CG-ND1 3.96Å; W206-H210 AromaticContact NE1-CE1 3Å; W206-H210 PolarHBondContact NE1-CE1 3.24Å; W206-H210 AromaticContact NE1-ND1 3.59Å; W206-H210 AromaticContact NE1-NE2 3.56Å; W206-H210 PolarHBondContact O-N 3.43Å; W206-H210 PolarHBondContact O-ND1 2.95Å; M207-H210 PolarHBondContact O-N 3.47Å; C208-H210 VanDerWaalsContact C-N 3.35Å; C208-H210 PolarHBondContact O-N 2.68Å; H210-H214 PolarHBondContact O-N 2.93Å
211	F	98.6	Very high	98.1	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-66.8	-45.4	175	-87.3	-74.1	0	0	0	111.6	I176 L181 V194 T196 M207 C208 E213 H214 F217 F256	I176-F211 HydrophobicContact CB-CE2 4.41Å; I176-F211 HydrophobicContact CD1-CE2 3.75Å; I176-F211 HydrophobicContact CD1-CZ 3.95Å; I176-F211 HydrophobicContact CG1-CE2 3.99Å; I176-F211 HydrophobicContact CG2-CD2 3.8Å; I176-F211 HydrophobicContact CG2-CE2 3.52Å; I176-F211 HydrophobicContact CG2-CZ 4.16Å; L181-F211 HydrophobicContact CD2-CD1 3.45Å; L181-F211 VanDerWaalsContact CD2-CD1 3.45Å; L181-F211 HydrophobicContact CD2-CD2 4.31Å; L181-F211 HydrophobicContact CD2-CE1 3.17Å; L181-F211 HydrophobicContact CD2-CE2 4.09Å; L181-F211 HydrophobicContact CD2-CG 4.01Å; L181-F211 HydrophobicContact CD2-CZ 3.5Å; L181-F211 VanDerWaalsContact CD2-CZ 3.5Å; V194-F211 HydrophobicContact CB-CE1 4.26Å; V194-F211 HydrophobicContact CB-CZ 4.31Å; V194-F211 HydrophobicContact CG1-CE1 4.11Å; V194-F211 HydrophobicContact CG1-CE2 4.42Å; V194-F211 HydrophobicContact CG1-CZ 3.67Å; V194-F211 HydrophobicContact CG2-CE1 4.13Å; V194-F211 HydrophobicContact CG2-CZ 4.47Å; T196-F211 HydrophobicContact CG2-CE2 4.04Å; M207-F211 VanDerWaalsContact O-CD2 3.27Å; M207-F211 WeakPolarHBondContact O-CD2 3.38Å; M207-F211 PolarHBondContact O-N 3.28Å; C208-F211 PolarHBondContact O-N 2.66Å; F211-E213 VanDerWaalsContact C-N 3.32Å; F211-E213 PolarHBondContact O-N 2.79Å; F211-H214 PolarHBondContact O-N 3.4Å; F211-F217 HydrophobicContact CD1-CB 4.04Å; F211-F217 HydrophobicContact CD1-CD1 4.09Å; F211-F217 AromaticContact CD1-CD2 3.87Å; F211-F217 HydrophobicContact CD1-CD2 3.87Å; F211-F217 HydrophobicContact CD1-CE2 4.35Å; F211-F217 AromaticContact CD1-CG 3.74Å; F211-F217 HydrophobicContact CD1-CG 3.74Å; F211-F217 HydrophobicContact CE1-CD1 4.21Å; F211-F217 HydrophobicContact CE1-CD2 4.21Å; F211-F217 HydrophobicContact CE1-CE1 4.22Å; F211-F217 HydrophobicContact CE1-CE2 4.23Å; F211-F217 HydrophobicContact CE1-CG 4.2Å; F211-F217 HydrophobicContact CE1-CZ 4.24Å; F211-F256 HydrophobicContact CB-CD1 3.44Å; F211-F256 VanDerWaalsContact CB-CD1 3.44Å; F211-F256 HydrophobicContact CB-CD2 4.04Å; F211-F256 HydrophobicContact CB-CE1 3.46Å; F211-F256 VanDerWaalsContact CB-CE1 3.46Å; F211-F256 HydrophobicContact CB-CE2 4.06Å; F211-F256 HydrophobicContact CB-CG 3.75Å; F211-F256 HydrophobicContact CB-CZ 3.79Å; F211-F256 HydrophobicContact CD1-CB 4.02Å; F211-F256 HydrophobicContact CD1-CD1 4.39Å; F211-F256 AromaticContact CD1-CD2 3.96Å; F211-F256 HydrophobicContact CD1-CD2 3.96Å; F211-F256 AromaticContact CD1-CG 3.85Å; F211-F256 HydrophobicContact CD1-CG 3.85Å; F211-F256 AromaticContact CD2-CD2 3.58Å; F211-F256 HydrophobicContact CD2-CD2 3.58Å; F211-F256 HydrophobicContact CD2-CE1 4.44Å; F211-F256 AromaticContact CD2-CE2 3.46Å; F211-F256 HydrophobicContact CD2-CE2 3.46Å; F211-F256 VanDerWaalsContact CD2-CE2 3.46Å; F211-F256 HydrophobicContact CD2-CG 4.15Å; F211-F256 AromaticContact CD2-CZ 3.93Å; F211-F256 HydrophobicContact CD2-CZ 3.93Å; F211-F256 HydrophobicContact CE1-CB 4.5Å; F211-F256 HydrophobicContact CE1-CD2 4.33Å; F211-F256 AromaticContact CE2-CD2 3.99Å; F211-F256 HydrophobicContact CE2-CD2 3.99Å; F211-F256 HydrophobicContact CE2-CE2 4.06Å; F211-F256 HydrophobicContact CG-CB 4.34Å; F211-F256 AromaticContact CG-CD1 3.92Å; F211-F256 HydrophobicContact CG-CD1 3.92Å; F211-F256 AromaticContact CG-CD2 3.59Å; F211-F256 HydrophobicContact CG-CD2 3.59Å; F211-F256 HydrophobicContact CG-CE1 4.11Å; F211-F256 AromaticContact CG-CE2 3.81Å; F211-F256 HydrophobicContact CG-CE2 3.81Å; F211-F256 AromaticContact CG-CG 3.66Å; F211-F256 HydrophobicContact CG-CG 3.66Å; F211-F256 HydrophobicContact CG-CZ 4.07Å; F211-F256 HydrophobicContact CZ-CD2 4.37Å
212	E	97.6	Very high	98	Very high	100 Å²	100	49.8 Å²	49.8	47%	0.467	25%	0.249	S	C	.	.	H	α-helix	trans	-69.1	-28.6	-178.3	-68.4	171	-158.2	0	0	112.4	C208 T209 H214 R219 F256	C208-E212 VanDerWaalsContact O-CB 3.28Å; C208-E212 WeakPolarHBondContact O-CB 3.49Å; C208-E212 WeakPolarHBondContact O-CG 3.42Å; C208-E212 PolarHBondContact O-N 2.93Å; T209-E212 PolarHBondContact O-N 3.43Å; E212-H214 VanDerWaalsContact C-N 3.34Å; E212-R219 HydrophobicContact CG-CB 4.29Å; E212-R219 WeakPolarHBondContact OE1-CD 3.46Å; E212-R219 IonicContact OE1-CZ 2.79Å; E212-R219 IonicContact OE1-NE 3.94Å; E212-R219 IonicContact OE1-NH1 3.02Å; E212-R219 PolarHBondContact OE1-NH1 3.18Å; E212-F256 HydrophobicContact CG-CE1 4.28Å
213	E	97.4	Very high	97.9	Very high	143 Å²	143	53.3 Å²	53.3	67%	0.668	27%	0.265	S	S	*	.	H	α-helix	trans	-76.8	-17.6	173.1	-74.2	175	177.3	0	0	113.6	T209 F211	T209-E213 HydrophobicContact CG2-CG 4.45Å; T209-E213 WeakPolarHBondContact CG2-OE1 3.49Å; T209-E213 WeakPolarHBondContact O-CB 3.47Å; T209-E213 VanDerWaalsContact O-CG 3.22Å; T209-E213 WeakPolarHBondContact O-CG 3.43Å; T209-E213 PolarHBondContact O-N 3.3Å; F211-E213 VanDerWaalsContact C-N 3.32Å; F211-E213 PolarHBondContact O-N 2.79Å
214	H	97.9	Very high	97.9	Very high	29 Å²	29	58.1 Å²	58.1	13%	0.134	29%	0.291	C	S	.	.	S	Bend	trans	-89.3	125.1	-176.7	-170.9	-79.4	0	0	0	111.2	L181 H210 F211 E212 L216 F217	L181-H214 HydrophobicContact CB-CB 4.48Å; L181-H214 HydrophobicContact CD1-CB 3.88Å; H210-H214 PolarHBondContact O-N 2.93Å; F211-H214 PolarHBondContact O-N 3.4Å; E212-H214 VanDerWaalsContact C-N 3.34Å; H214-L216 PolarHBondContact ND1-N 3.12Å; H214-L216 PolarHBondContact O-N 3.11Å; H214-F217 HydrophobicContact CB-CD2 4.25Å; H214-F217 AromaticContact ND1-CD2 3.57Å; H214-F217 AromaticContact ND1-CE2 3.97Å; H214-F217 PolarHBondContact O-N 3.4Å; H214-F217 VanDerWaalsContact O-N 3.08Å
215	P	97.3	Very high	97.7	Very high	73 Å²	73	58 Å²	58	47%	0.474	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.5	-167.7	26.7	-36.6	0	0	0	115.3	P262	P215-P262 WeakPolarHBondContact O-CD 3.45Å
216	L	98.3	Very high	97.5	Very high	35 Å²	35	59.1 Å²	59.1	18%	0.183	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	6.9	-178.8	-54.6	-176.2	0	0	0	113.6	A185 H214 R258 I259 D261	A185-L216 HydrophobicContact CB-CB 3.91Å; A185-L216 HydrophobicContact CB-CD1 3.63Å; A185-L216 HydrophobicContact CB-CG 4.4Å; H214-L216 PolarHBondContact ND1-N 3.12Å; H214-L216 PolarHBondContact O-N 3.11Å; L216-R258 CarbonylContact O-C 3.58Å; L216-R258 WeakPolarHBondContact O-CA 3.47Å; L216-I259 PolarHBondContact O-N 3.34Å; L216-D261 HydrophobicContact CD2-CB 3.78Å
217	F	98.6	Very high	97.4	Very high	8 Å²	8	66.2 Å²	66.2	4%	0.035	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.6	177.5	-66.9	-74.9	0	0	0	111.7	L181 A185 L188 V194 F211 H214 F256 R257 R258	L181-F217 HydrophobicContact CB-CE2 4.3Å; L181-F217 HydrophobicContact CD2-CD2 4.33Å; L181-F217 HydrophobicContact CD2-CE2 4.07Å; L181-F217 WeakPolarHBondContact O-CE2 3.49Å; A185-F217 HydrophobicContact CB-CE2 3.8Å; A185-F217 HydrophobicContact CB-CZ 3.85Å; L188-F217 HydrophobicContact CD2-CE1 4.09Å; V194-F217 HydrophobicContact CG2-CD1 4.49Å; V194-F217 HydrophobicContact CG2-CE1 3.83Å; F211-F217 HydrophobicContact CD1-CB 4.04Å; F211-F217 HydrophobicContact CD1-CD1 4.09Å; F211-F217 AromaticContact CD1-CD2 3.87Å; F211-F217 HydrophobicContact CD1-CD2 3.87Å; F211-F217 HydrophobicContact CD1-CE2 4.35Å; F211-F217 AromaticContact CD1-CG 3.74Å; F211-F217 HydrophobicContact CD1-CG 3.74Å; F211-F217 HydrophobicContact CE1-CD1 4.21Å; F211-F217 HydrophobicContact CE1-CD2 4.21Å; F211-F217 HydrophobicContact CE1-CE1 4.22Å; F211-F217 HydrophobicContact CE1-CE2 4.23Å; F211-F217 HydrophobicContact CE1-CG 4.2Å; F211-F217 HydrophobicContact CE1-CZ 4.24Å; H214-F217 HydrophobicContact CB-CD2 4.25Å; H214-F217 AromaticContact ND1-CD2 3.57Å; H214-F217 AromaticContact ND1-CE2 3.97Å; H214-F217 PolarHBondContact O-N 3.4Å; H214-F217 VanDerWaalsContact O-N 3.08Å; F217-F256 HydrophobicContact CD1-CB 4.4Å; F217-R257 VanDerWaalsContact CA-O 3.3Å; F217-R257 WeakPolarHBondContact CA-O 3.42Å; F217-R258 HydrophobicContact CD1-CB 4.19Å; F217-R258 HydrophobicContact CE1-CB 3.86Å; F217-R258 HydrophobicContact CE1-CG 4.02Å; F217-R258 HydrophobicContact CZ-CG 4.45Å
218	E	98.2	Very high	97.3	Very high	75 Å²	75	67.5 Å²	67.5	35%	0.35	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.5	169.3	67.1	-175.3	177.6	0	0	109.3	F256 R257 I259	E218-F256 CarbonylContact O-C 3.29Å; E218-F256 WeakPolarHBondContact O-CA 3.31Å; E218-R257 HydrophobicContact CG-CB 3.91Å; E218-R257 PolarHBondContact N-O 3.21Å; E218-R257 PolarHBondContact O-N 3.23Å; E218-R257 WeakPolarHBondContact OE1-CD 3.35Å; E218-R257 IonicContact OE1-CZ 3.7Å; E218-R257 IonicContact OE1-NE 3.95Å; E218-R257 IonicContact OE1-NH1 2.71Å; E218-R257 PolarHBondContact OE1-NH1 3.45Å; E218-I259 HydrophobicContact CB-CD1 4.35Å; E218-I259 HydrophobicContact CB-CG2 4.42Å; E218-I259 HydrophobicContact CG-CG2 3.7Å; E218-I259 WeakPolarHBondContact OE1-CG2 3.34Å
219	R	98.6	Very high	97.3	Very high	110 Å²	110	70.6 Å²	70.6	42%	0.415	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	136.6	175.1	-173.9	167.3	179.5	170.7	5.4	110.2	E212 F256	E212-R219 HydrophobicContact CG-CB 4.29Å; E212-R219 WeakPolarHBondContact OE1-CD 3.46Å; E212-R219 IonicContact OE1-CZ 2.79Å; E212-R219 IonicContact OE1-NE 3.94Å; E212-R219 IonicContact OE1-NH1 3.02Å; E212-R219 PolarHBondContact OE1-NH1 3.18Å; R219-F256 HydrophobicContact CB-CD1 3.94Å; R219-F256 HydrophobicContact CB-CE1 3.92Å; R219-F256 HydrophobicContact CG-CD1 4.3Å; R219-F256 HydrophobicContact CG-CE1 4Å
220	V	98.6	Very high	97.3	Very high	3 Å²	3	67.5 Å²	67.5	2%	0.018	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.6	174.9	-170.8	0	0	0	0	108.8	L193 D224 L225 I255 R257	L193-V220 HydrophobicContact CD2-CG2 4.14Å; V220-D224 HydrophobicContact CG1-CB 4.11Å; V220-L225 HydrophobicContact CB-CD1 4.17Å; V220-L225 HydrophobicContact CG1-CD1 3.93Å; V220-L225 HydrophobicContact CG1-CD2 3.95Å; V220-L225 HydrophobicContact CG1-CG 3.77Å; V220-I255 HydrophobicContact CB-CG2 4.36Å; V220-I255 HydrophobicContact CG2-CG2 4.43Å; V220-I255 PolarHBondContact N-O 2.71Å; V220-R257 HydrophobicContact CG2-CB 3.7Å
221	P	97.7	Very high	97.2	Very high	60 Å²	60	67.4 Å²	67.4	39%	0.39	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-54.4	140.5	170.5	-25.5	34.8	0	0	0	111.6	E223 D224	P221-E223 HydrophobicContact CB-CG 3.74Å; P221-E223 PolarHBondContact O-N 2.99Å; P221-D224 WeakPolarHBondContact CD-OD2 3.17Å; P221-D224 WeakPolarHBondContact O-CB 3.41Å; P221-D224 PolarHBondContact O-N 3.28Å
222	L	95.2	Very high	97	Very high	83 Å²	83	70.1 Å²	70.1	44%	0.435	38%	0.377	S	S	.	.	S	Bend	trans	-66.6	-28.4	-179.5	-72.1	172.1	0	0	0	112.8	D224 L225 S226 V231 P253 I255	L222-D224 VanDerWaalsContact C-N 3.28Å; L222-D224 PolarHBondContact O-N 3.2Å; L222-L225 CarbonylContact O-C 3.6Å; L222-L225 PolarHBondContact O-N 2.88Å; L222-S226 PolarHBondContact O-N 2.89Å; L222-V231 HydrophobicContact CD2-CG1 4.43Å; L222-P253 HydrophobicContact CD1-CG 4.01Å; L222-P253 HydrophobicContact CD2-CG 4.45Å; L222-I255 HydrophobicContact CD2-CD1 3.49Å; L222-I255 VanDerWaalsContact CD2-CD1 3.49Å
223	E	96.2	Very high	97	Very high	156 Å²	156	67.7 Å²	67.7	73%	0.729	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-60	-37.6	173.8	55.9	-157.5	-140	0	0	112.5	P221 L225 S226	P221-E223 HydrophobicContact CB-CG 3.74Å; P221-E223 PolarHBondContact O-N 2.99Å; E223-L225 PolarHBondContact O-N 3.08Å; E223-S226 WeakPolarHBondContact O-CB 3.34Å; E223-S226 PolarHBondContact O-N 3.47Å; E223-S226 PolarHBondContact O-OG 2.84Å
224	D	96.5	Very high	96.9	Very high	104 Å²	104	60.9 Å²	60.9	56%	0.556	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-70.7	-9.4	175.6	-63	-12	0	0	0	112.9	V220 P221 L222	V220-D224 HydrophobicContact CG1-CB 4.11Å; P221-D224 WeakPolarHBondContact CD-OD2 3.17Å; P221-D224 WeakPolarHBondContact O-CB 3.41Å; P221-D224 PolarHBondContact O-N 3.28Å; L222-D224 VanDerWaalsContact C-N 3.28Å; L222-D224 PolarHBondContact O-N 3.2Å
225	L	95.9	Very high	96.8	Very high	15 Å²	15	60 Å²	60	8%	0.079	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-113.6	17.2	-179.2	-60.8	172.3	0	0	0	112.4	L193 V220 L222 E223 E227 D228 V231 I255	L193-L225 HydrophobicContact CD1-CD2 4.41Å; V220-L225 HydrophobicContact CB-CD1 4.17Å; V220-L225 HydrophobicContact CG1-CD1 3.93Å; V220-L225 HydrophobicContact CG1-CD2 3.95Å; V220-L225 HydrophobicContact CG1-CG 3.77Å; L222-L225 CarbonylContact O-C 3.6Å; L222-L225 PolarHBondContact O-N 2.88Å; E223-L225 PolarHBondContact O-N 3.08Å; L225-E227 PolarHBondContact O-N 3.27Å; L225-D228 HydrophobicContact CB-CB 4.2Å; L225-D228 HydrophobicContact CD2-CB 4.3Å; L225-D228 WeakPolarHBondContact O-CB 3.39Å; L225-D228 PolarHBondContact O-N 3.22Å; L225-V231 HydrophobicContact CB-CG2 3.97Å; L225-V231 HydrophobicContact CD1-CG2 4.37Å; L225-I255 HydrophobicContact CD1-CB 3.56Å; L225-I255 HydrophobicContact CD1-CD1 4.04Å; L225-I255 HydrophobicContact CD1-CG1 3.66Å; L225-I255 HydrophobicContact CD1-CG2 3.66Å
226	S	93.2	Very high	96.7	Very high	102 Å²	102	59.5 Å²	59.5	71%	0.713	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.7	178.4	50	0	0	0	0	113.5	L222 E223	L222-S226 PolarHBondContact O-N 2.89Å; E223-S226 WeakPolarHBondContact O-CB 3.34Å; E223-S226 PolarHBondContact O-N 3.47Å; E223-S226 PolarHBondContact O-OG 2.84Å
227	E	95.8	Very high	96.6	Very high	185 Å²	185	57.9 Å²	57.9	86%	0.864	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-5.8	176	-61	-172.9	169.9	0	0	113.7	L225 P229	L225-E227 PolarHBondContact O-N 3.27Å; E227-P229 VanDerWaalsContact O-CD 3.24Å; E227-P229 WeakPolarHBondContact O-CD 3.32Å
228	D	97.4	Very high	96.5	Very high	26 Å²	26	58.1 Å²	58.1	14%	0.139	32%	0.322	C	S	.	.			trans	-76.3	110.9	178.4	-173.8	-17.5	0	0	0	109.8	Y195 L225 I230 V231	Y195-D228 VanDerWaalsContact CE1-OD2 3.28Å; Y195-D228 WeakPolarHBondContact CE1-OD2 3.32Å; Y195-D228 PolarHBondContact OH-OD2 2.98Å; L225-D228 HydrophobicContact CB-CB 4.2Å; L225-D228 HydrophobicContact CD2-CB 4.3Å; L225-D228 WeakPolarHBondContact O-CB 3.39Å; L225-D228 PolarHBondContact O-N 3.22Å; D228-I230 PolarHBondContact O-N 3.36Å; D228-I230 VanDerWaalsContact O-N 3.07Å; D228-I230 VanDerWaalsContact OD1-CB 3.25Å; D228-I230 WeakPolarHBondContact OD1-CB 3.18Å; D228-I230 WeakPolarHBondContact OD1-CG1 3.21Å; D228-I230 PolarHBondContact OD1-N 3.32Å; D228-V231 HydrophobicContact CB-CG2 3.99Å; D228-V231 PolarHBondContact O-N 2.91Å
229	P	96.9	Very high	96.2	Very high	71 Å²	71	57.4 Å²	57.4	46%	0.461	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.9	-174.7	27.1	-35.5	0	0	0	112.1	F98 E227 V231 H233	F98-P229 HydrophobicContact CZ-CG 4.17Å; E227-P229 VanDerWaalsContact O-CD 3.24Å; E227-P229 WeakPolarHBondContact O-CD 3.32Å; P229-V231 PolarHBondContact O-N 2.75Å; P229-H233 PolarHBondContact O-CD2 3.49Å
230	I	98.2	Very high	96	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-35	-175.8	-65.4	175.2	0	0	0	111.8	L94 F98 K156 F158 Y195 D228 G232 H233 L234	L94-I230 HydrophobicContact CD2-CG1 4.03Å; F98-I230 HydrophobicContact CE2-CD1 3.92Å; F98-I230 HydrophobicContact CE2-CG1 3.81Å; F98-I230 HydrophobicContact CZ-CD1 3.85Å; F98-I230 HydrophobicContact CZ-CG1 3.95Å; K156-I230 HydrophobicContact CD-CD1 3.33Å; K156-I230 VanDerWaalsContact CE-CD1 3.44Å; F158-I230 HydrophobicContact CD1-CG2 4.46Å; F158-I230 HydrophobicContact CE1-CD1 4.3Å; F158-I230 HydrophobicContact CE1-CG2 3.63Å; F158-I230 HydrophobicContact CZ-CD1 4.22Å; F158-I230 HydrophobicContact CZ-CG2 4.48Å; Y195-I230 HydrophobicContact CD1-CG2 3.91Å; Y195-I230 HydrophobicContact CE1-CB 4.15Å; Y195-I230 HydrophobicContact CE1-CG2 3.77Å; Y195-I230 HydrophobicContact CE2-CD1 4.42Å; Y195-I230 HydrophobicContact CG-CG2 4.35Å; D228-I230 PolarHBondContact O-N 3.36Å; D228-I230 VanDerWaalsContact O-N 3.07Å; D228-I230 VanDerWaalsContact OD1-CB 3.25Å; D228-I230 WeakPolarHBondContact OD1-CB 3.18Å; D228-I230 WeakPolarHBondContact OD1-CG1 3.21Å; D228-I230 PolarHBondContact OD1-N 3.32Å; I230-G232 PolarHBondContact O-N 2.83Å; I230-H233 PolarHBondContact O-N 2.84Å; I230-L234 HydrophobicContact CG2-CD2 3.95Å; I230-L234 PolarHBondContact O-N 3Å
231	V	96.5	Very high	95.9	Very high	38 Å²	38	55.4 Å²	55.4	23%	0.23	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-59.2	-38.1	-171.8	175.7	0	0	0	0	111.1	Y195 L222 L225 D228 P229 H233 L234	Y195-V231 HydrophobicContact CE1-CG2 4.43Å; L222-V231 HydrophobicContact CD2-CG1 4.43Å; L225-V231 HydrophobicContact CB-CG2 3.97Å; L225-V231 HydrophobicContact CD1-CG2 4.37Å; D228-V231 HydrophobicContact CB-CG2 3.99Å; D228-V231 PolarHBondContact O-N 2.91Å; P229-V231 PolarHBondContact O-N 2.75Å; V231-H233 PolarHBondContact O-N 3.29Å; V231-L234 PolarHBondContact O-N 3.47Å
232	G	95.3	Very high	95.8	Very high	56 Å²	56	56 Å²	56	58%	0.577	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-65	-21.2	176	0	0	0	0	0	114.8	I230 T236	I230-G232 PolarHBondContact O-N 2.83Å; G232-T236 PolarHBondContact O-OG1 3.19Å
233	H	97.1	Very high	95.8	Very high	49 Å²	49	56.3 Å²	56.3	23%	0.227	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-94.2	-15.3	-178.1	-65.5	-78.2	0	0	0	113.9	E93 P229 I230 V231 G235 T236 S237	E93-H233 IonicContact OE2-ND1 3.65Å; P229-H233 PolarHBondContact O-CD2 3.49Å; I230-H233 PolarHBondContact O-N 2.84Å; V231-H233 PolarHBondContact O-N 3.29Å; H233-G235 VanDerWaalsContact C-N 3.34Å; H233-G235 PolarHBondContact O-N 2.63Å; H233-T236 WeakPolarHBondContact CA-OG1 3.35Å; H233-T236 PolarHBondContact O-N 2.92Å; H233-T236 PolarHBondContact O-OG1 3.43Å; H233-S237 WeakPolarHBondContact O-CB 3.43Å; H233-S237 PolarHBondContact O-N 3.16Å; H233-S237 PolarHBondContact O-OG 2.93Å
234	L	96	Very high	95.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-43.1	-173.3	-61	178.7	0	0	0	112.8	F158 L160 Y195 I197 I230 V231 P253 I255	F158-L234 HydrophobicContact CD1-CD2 4.45Å; L160-L234 HydrophobicContact CD1-CD2 4.4Å; L160-L234 HydrophobicContact CD2-CD2 3.74Å; Y195-L234 HydrophobicContact CD1-CD1 4.26Å; Y195-L234 HydrophobicContact CD1-CD2 4.22Å; Y195-L234 HydrophobicContact CG-CD2 4.33Å; I197-L234 HydrophobicContact CB-CB 4.41Å; I197-L234 HydrophobicContact CD1-CB 3.75Å; I197-L234 HydrophobicContact CG2-CB 4.29Å; I230-L234 HydrophobicContact CG2-CD2 3.95Å; I230-L234 PolarHBondContact O-N 3Å; V231-L234 PolarHBondContact O-N 3.47Å; L234-P253 HydrophobicContact CD1-CB 4.44Å; L234-I255 HydrophobicContact CD1-CD1 4.36Å
235	G	95.3	Very high	95.7	Very high	9 Å²	9	48.4 Å²	48.4	9%	0.093	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-7.9	-178.1	0	0	0	0	0	115.2	H233 G241 L245	H233-G235 VanDerWaalsContact C-N 3.34Å; H233-G235 PolarHBondContact O-N 2.63Å; G235-G241 CarbonylContact O-C 3.54Å; G235-G241 WeakPolarHBondContact O-CA 3.35Å; G235-L245 WeakPolarHBondContact O-CD1 3.48Å
236	T	96.3	Very high	95.7	Very high	63 Å²	63	55.7 Å²	55.7	39%	0.387	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-20.4	-166.1	54.1	0	0	0	0	113.5	G232 H233 K242 L245	G232-T236 PolarHBondContact O-OG1 3.19Å; H233-T236 WeakPolarHBondContact CA-OG1 3.35Å; H233-T236 PolarHBondContact O-N 2.92Å; H233-T236 PolarHBondContact O-OG1 3.43Å; T236-K242 WeakPolarHBondContact O-CE 3.45Å; T236-K242 VanDerWaalsContact O-CG 3.29Å; T236-K242 WeakPolarHBondContact O-CG 3.32Å; T236-L245 HydrophobicContact CG2-CD1 3.68Å
237	S	95.7	Very high	95.8	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.007	30%	0.295	C	S	.	.	S	Bend	trans	-79.8	-34.8	-176.4	58	0	0	0	0	113.8	G89 L90 H233	G89-S237 CarbonylContact C-O 3.14Å; G89-S237 WeakPolarHBondContact CA-O 3.16Å; L90-S237 WeakPolarHBondContact CD1-OG 3.37Å; H233-S237 WeakPolarHBondContact O-CB 3.43Å; H233-S237 PolarHBondContact O-N 3.16Å; H233-S237 PolarHBondContact O-OG 2.93Å
238	T	95.8	Very high	95.8	Very high	14 Å²	14	51.1 Å²	51.1	9%	0.086	29%	0.286	C	S	.	.	S	Bend	trans	-90.6	158.2	-173.8	71.4	0	0	0	0	112.6	L90 L160 E240 G241 K242	L90-T238 HydrophobicContact CB-CG2 4.24Å; L160-T238 HydrophobicContact CB-CG2 4.26Å; L160-T238 HydrophobicContact CD1-CG2 3.72Å; T238-E240 VanDerWaalsContact C-N 3.28Å; T238-E240 PolarHBondContact O-N 3.27Å; T238-G241 PolarHBondContact O-N 2.97Å; T238-G241 PolarHBondContact OG1-N 3.49Å; T238-G241 VanDerWaalsContact OG1-N 3.08Å; T238-K242 WeakPolarHBondContact O-CB 3.46Å; T238-K242 VanDerWaalsContact O-CG 3.25Å; T238-K242 WeakPolarHBondContact O-CG 3.28Å; T238-K242 PolarHBondContact O-N 3.1Å
239	E	92.8	Very high	95.6	Very high	59 Å²	59	51.6 Å²	51.6	28%	0.276	30%	0.298	S	S	.	.	H	α-helix	trans	-61.7	-37.8	175.7	-63.8	-63.4	136.2	0	0	112.5	K18 Y87 K243	K18-E239 IonicContact NZ-OE1 2.78Å; K18-E239 PolarHBondContact NZ-OE1 3.39Å; K18-E239 IonicContact NZ-OE2 2.66Å; K18-E239 PolarHBondContact NZ-OE2 2.87Å; Y87-E239 HydrophobicContact CD2-CG 4.38Å; E239-K243 WeakPolarHBondContact O-CB 3.35Å; E239-K243 PolarHBondContact O-N 2.89Å
240	E	94.8	Very high	95.5	Very high	72 Å²	72	55.8 Å²	55.8	34%	0.336	31%	0.309	S	S	.	.	H	α-helix	trans	-70	-45.1	179.4	-159.8	63.4	-159.5	0	0	110.5	F161 T238 K242 K243 V244	F161-E240 HydrophobicContact CB-CB 3.94Å; F161-E240 HydrophobicContact CB-CG 3.72Å; F161-E240 HydrophobicContact CD1-CB 4.45Å; F161-E240 HydrophobicContact CD1-CG 4.04Å; F161-E240 HydrophobicContact CD2-CB 4.01Å; F161-E240 HydrophobicContact CD2-CG 4.45Å; F161-E240 HydrophobicContact CG-CB 3.86Å; F161-E240 HydrophobicContact CG-CG 3.81Å; T238-E240 VanDerWaalsContact C-N 3.28Å; T238-E240 PolarHBondContact O-N 3.27Å; E240-K242 PolarHBondContact O-N 2.95Å; E240-K243 WeakPolarHBondContact O-CA 3.25Å; E240-K243 WeakPolarHBondContact O-CB 3.34Å; E240-K243 PolarHBondContact O-N 2.7Å; E240-K243 IonicContact OE1-NZ 3.04Å; E240-K243 PolarHBondContact OE1-NZ 3.41Å; E240-K243 IonicContact OE2-NZ 3.94Å; E240-V244 WeakPolarHBondContact O-CG2 3.4Å; E240-V244 PolarHBondContact O-N 3.38Å
241	G	95.7	Very high	95.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59	-46.6	173.8	0	0	0	0	0	112.9	F161 G235 T238 K243 V244 L245	F161-G241 VanDerWaalsContact CE2-CA 3.44Å; G235-G241 CarbonylContact O-C 3.54Å; G235-G241 WeakPolarHBondContact O-CA 3.35Å; T238-G241 PolarHBondContact O-N 2.97Å; T238-G241 PolarHBondContact OG1-N 3.49Å; T238-G241 VanDerWaalsContact OG1-N 3.08Å; G241-K243 VanDerWaalsContact C-N 3.25Å; G241-K243 PolarHBondContact O-N 3.08Å; G241-V244 PolarHBondContact O-N 2.95Å; G241-L245 WeakPolarHBondContact O-CG 3.41Å; G241-L245 PolarHBondContact O-N 3.36Å
242	K	95.9	Very high	95.6	Very high	73 Å²	73	58.2 Å²	58.2	32%	0.317	32%	0.318	S	S	.	.	H	α-helix	trans	-58.7	-36.4	173.7	-69.7	173.2	-173.4	177.8	0	112.2	T236 T238 E240 R246	T236-K242 WeakPolarHBondContact O-CE 3.45Å; T236-K242 VanDerWaalsContact O-CG 3.29Å; T236-K242 WeakPolarHBondContact O-CG 3.32Å; T238-K242 WeakPolarHBondContact O-CB 3.46Å; T238-K242 VanDerWaalsContact O-CG 3.25Å; T238-K242 WeakPolarHBondContact O-CG 3.28Å; T238-K242 PolarHBondContact O-N 3.1Å; E240-K242 PolarHBondContact O-N 2.95Å; K242-R246 WeakPolarHBondContact O-CG 3.23Å; K242-R246 PolarHBondContact O-N 2.84Å; K242-R246 VanDerWaalsContact O-N 3.07Å; K242-R246 PolarHBondContact O-NH1 3.24Å
243	K	95.3	Very high	95.7	Very high	88 Å²	88	57.2 Å²	57.2	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-68.8	-44.5	176.3	173.1	-171.1	155.8	-147.4	0	111.6	E239 E240 G241 L245 R246 N247	E239-K243 WeakPolarHBondContact O-CB 3.35Å; E239-K243 PolarHBondContact O-N 2.89Å; E240-K243 WeakPolarHBondContact O-CA 3.25Å; E240-K243 WeakPolarHBondContact O-CB 3.34Å; E240-K243 PolarHBondContact O-N 2.7Å; E240-K243 IonicContact OE1-NZ 3.04Å; E240-K243 PolarHBondContact OE1-NZ 3.41Å; E240-K243 IonicContact OE2-NZ 3.94Å; G241-K243 VanDerWaalsContact C-N 3.25Å; G241-K243 PolarHBondContact O-N 3.08Å; K243-L245 VanDerWaalsContact C-N 3.32Å; K243-L245 PolarHBondContact O-N 2.97Å; K243-R246 PolarHBondContact O-N 2.98Å; K243-N247 PolarHBondContact O-N 3.19Å; K243-N247 VanDerWaalsContact O-N 3.09Å
244	V	95.3	Very high	95.8	Very high	7 Å²	7	55 Å²	55	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-59	-46.8	177	175.9	0	0	0	0	110.1	F161 D199 E240 G241 N247 G248 G249 N251	F161-V244 HydrophobicContact CD1-CG2 4.44Å; F161-V244 HydrophobicContact CE1-CG2 3.98Å; D199-V244 HydrophobicContact CB-CG1 4.02Å; D199-V244 HydrophobicContact CB-CG2 3.72Å; E240-V244 WeakPolarHBondContact O-CG2 3.4Å; E240-V244 PolarHBondContact O-N 3.38Å; G241-V244 PolarHBondContact O-N 2.95Å; V244-N247 CarbonylContact O-C 3.19Å; V244-N247 PolarHBondContact O-N 2.59Å; V244-N247 VanDerWaalsContact O-N 3.15Å; V244-G248 PolarHBondContact O-N 3.44Å; V244-G249 PolarHBondContact O-N 3.05Å; V244-N251 VanDerWaalsContact CG1-OD1 3.32Å; V244-N251 WeakPolarHBondContact CG1-OD1 3.29Å
245	L	94.3	Very high	95.9	Very high	88 Å²	88	55 Å²	55	46%	0.461	29%	0.292	S	S	.	.	H	α-helix	trans	-60.9	-46.2	177.1	-68.4	173.1	0	0	0	112.8	G235 T236 G241 K243 N247 G248	G235-L245 WeakPolarHBondContact O-CD1 3.48Å; T236-L245 HydrophobicContact CG2-CD1 3.68Å; G241-L245 WeakPolarHBondContact O-CG 3.41Å; G241-L245 PolarHBondContact O-N 3.36Å; K243-L245 VanDerWaalsContact C-N 3.32Å; K243-L245 PolarHBondContact O-N 2.97Å; L245-N247 PolarHBondContact O-N 3.43Å; L245-G248 PolarHBondContact O-N 3.28Å
246	R	96.1	Very high	96.1	Very high	167 Å²	167	54.6 Å²	54.6	63%	0.63	29%	0.287	S	S	*	.	H	α-helix	trans	-58.9	-31.2	176	-77.9	-169.3	-52.6	-88.5	0.6	113	K242 K243 G248	K242-R246 WeakPolarHBondContact O-CG 3.23Å; K242-R246 PolarHBondContact O-N 2.84Å; K242-R246 VanDerWaalsContact O-N 3.07Å; K242-R246 PolarHBondContact O-NH1 3.24Å; K243-R246 PolarHBondContact O-N 2.98Å; R246-G248 VanDerWaalsContact C-N 3.34Å
247	N	95.8	Very high	96.2	Very high	124 Å²	124	55.5 Å²	55.5	66%	0.663	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	3.1	-179.9	-66.7	-7.6	0	0	0	113	K243 V244 L245 G249	K243-N247 PolarHBondContact O-N 3.19Å; K243-N247 VanDerWaalsContact O-N 3.09Å; V244-N247 CarbonylContact O-C 3.19Å; V244-N247 PolarHBondContact O-N 2.59Å; V244-N247 VanDerWaalsContact O-N 3.15Å; L245-N247 PolarHBondContact O-N 3.43Å; N247-G249 PolarHBondContact O-N 2.96Å
248	G	94.7	Very high	96.4	Very high	67 Å²	67	56.7 Å²	56.7	69%	0.691	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	22.2	-176	0	0	0	0	0	113.9	V244 L245 R246	V244-G248 PolarHBondContact O-N 3.44Å; L245-G248 PolarHBondContact O-N 3.28Å; R246-G248 VanDerWaalsContact C-N 3.34Å
249	G	94.1	Very high	96.5	Very high	37 Å²	37	57.5 Å²	57.5	38%	0.381	29%	0.292	S	S	.	.			trans	-74.3	162.8	177.3	0	0	0	0	0	112.5	V244 N247	V244-G249 PolarHBondContact O-N 3.05Å; N247-G249 PolarHBondContact O-N 2.96Å
250	K	95.8	Very high	96.6	Very high	159 Å²	159	58.8 Å²	58.8	69%	0.691	30%	0.297	S	S	*	.			trans	-94.2	148.2	176.8	-65.7	-177.4	178.9	-178.3	0	110.3	D199 F252	D199-K250 WeakPolarHBondContact CA-O 2.85Å; D199-K250 WeakPolarHBondContact CB-O 3.25Å; K250-F252 HydrophobicContact CB-CE1 4.36Å; K250-F252 HydrophobicContact CB-CE2 4.34Å; K250-F252 HydrophobicContact CB-CZ 3.92Å
251	N	97	Very high	96.4	Very high	41 Å²	41	57.6 Å²	57.6	22%	0.219	29%	0.293	C	S	.	.			trans	-114.4	142.3	171.6	-71.1	-33.5	0	0	0	109.8	F161 I197 V244 P253	F161-N251 WeakPolarHBondContact CE1-OD1 3.44Å; I197-N251 HydrophobicContact CD1-CB 3.89Å; I197-N251 HydrophobicContact CG1-CB 4.09Å; V244-N251 VanDerWaalsContact CG1-OD1 3.32Å; V244-N251 WeakPolarHBondContact CG1-OD1 3.29Å; N251-P253 WeakPolarHBondContact O-CD 3.43Å
252	F	98.3	Very high	95.9	Very high	48 Å²	48	60.7 Å²	60.7	21%	0.211	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	85.8	-178.3	-52.2	-76	0	0	0	110.1	T198 L201 H204 K250	T198-F252 PolarHBondContact N-O 3.48Å; T198-F252 WeakPolarHBondContact O-CD2 3.34Å; T198-F252 PolarHBondContact O-N 2.87Å; L201-F252 HydrophobicContact CB-CD2 4.44Å; L201-F252 HydrophobicContact CB-CE2 3.97Å; L201-F252 HydrophobicContact CB-CZ 4.02Å; L201-F252 HydrophobicContact CD1-CD1 4.05Å; L201-F252 HydrophobicContact CD1-CE1 3.99Å; L201-F252 HydrophobicContact CD1-CG 4.42Å; L201-F252 HydrophobicContact CD1-CZ 4.32Å; H204-F252 HydrophobicContact CB-CB 3.75Å; H204-F252 HydrophobicContact CB-CG 4.39Å; H204-F252 WeakPolarHBondContact ND1-CB 3.4Å; H204-F252 PolarHBondContact ND1-O 3.32Å; H204-F252 VanDerWaalsContact ND1-O 3.08Å; K250-F252 HydrophobicContact CB-CE1 4.36Å; K250-F252 HydrophobicContact CB-CE2 4.34Å; K250-F252 HydrophobicContact CB-CZ 3.92Å
253	P	98.3	Very high	95.4	Very high	35 Å²	35	62.3 Å²	62.3	23%	0.227	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	143.4	176.4	30.6	-32.8	0	0	0	111.7	T196 I197 H204 L222 L234 N251 I255	T196-P253 CarbonylContact O-C 3.6Å; T196-P253 VanDerWaalsContact O-CA 3.28Å; T196-P253 WeakPolarHBondContact O-CA 3.17Å; I197-P253 HydrophobicContact CD1-CB 4.31Å; I197-P253 HydrophobicContact CG1-CB 4.19Å; H204-P253 PolarHBondContact CE1-O 2.9Å; L222-P253 HydrophobicContact CD1-CG 4.01Å; L222-P253 HydrophobicContact CD2-CG 4.45Å; L234-P253 HydrophobicContact CD1-CB 4.44Å; N251-P253 WeakPolarHBondContact O-CD 3.43Å; P253-I255 HydrophobicContact CB-CD1 4.43Å
254	A	98.7	Very high	94.7	Very high	2 Å²	2	63.4 Å²	63.4	2%	0.017	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	132.4	165.4	0	0	0	0	0	109.7	T196 F256	T196-A254 WeakPolarHBondContact CA-O 3.39Å; T196-A254 WeakPolarHBondContact CB-O 3.36Å; T196-A254 PolarHBondContact N-O 3.1Å; T196-A254 PolarHBondContact O-N 3.14Å; T196-A254 PolarHBondContact OG1-O 3.33Å; A254-F256 HydrophobicContact CB-CE2 3.74Å; A254-F256 HydrophobicContact CB-CZ 3.66Å
255	I	98.8	Very high	93.7	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.2	-179.1	-64	74	0	0	0	108.3	L193 V194 Y195 V220 L222 L225 L234 P253	L193-I255 HydrophobicContact CB-CG2 4.38Å; L193-I255 HydrophobicContact CD2-CG2 4.1Å; V194-I255 CarbonylContact O-C 3.5Å; V194-I255 VanDerWaalsContact O-CA 3.27Å; V194-I255 WeakPolarHBondContact O-CA 3.2Å; Y195-I255 HydrophobicContact CD1-CG1 3.69Å; Y195-I255 HydrophobicContact CD1-CG2 4.38Å; Y195-I255 HydrophobicContact CE1-CG1 4.24Å; Y195-I255 HydrophobicContact CE1-CG2 4.45Å; Y195-I255 HydrophobicContact CG-CG1 4.41Å; V220-I255 HydrophobicContact CB-CG2 4.36Å; V220-I255 HydrophobicContact CG2-CG2 4.43Å; V220-I255 PolarHBondContact N-O 2.71Å; L222-I255 HydrophobicContact CD2-CD1 3.49Å; L222-I255 VanDerWaalsContact CD2-CD1 3.49Å; L225-I255 HydrophobicContact CD1-CB 3.56Å; L225-I255 HydrophobicContact CD1-CD1 4.04Å; L225-I255 HydrophobicContact CD1-CG1 3.66Å; L225-I255 HydrophobicContact CD1-CG2 3.66Å; L234-I255 HydrophobicContact CD1-CD1 4.36Å; P253-I255 HydrophobicContact CB-CD1 4.43Å
256	F	98.8	Very high	92.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.1	179.9	-52.2	-85.7	0	0	0	110.4	L193 V194 T196 C208 F211 E212 F217 E218 R219 A254	L193-F256 CarbonylContact C-O 3.47Å; L193-F256 WeakPolarHBondContact CA-O 3.27Å; V194-F256 HydrophobicContact CB-CB 4.41Å; V194-F256 PolarHBondContact N-O 3.49Å; V194-F256 PolarHBondContact O-N 2.73Å; T196-F256 HydrophobicContact CG2-CD2 4.32Å; T196-F256 HydrophobicContact CG2-CE2 4.09Å; C208-F256 HydrophobicContact CB-CZ 4.35Å; F211-F256 HydrophobicContact CB-CD1 3.44Å; F211-F256 VanDerWaalsContact CB-CD1 3.44Å; F211-F256 HydrophobicContact CB-CD2 4.04Å; F211-F256 HydrophobicContact CB-CE1 3.46Å; F211-F256 VanDerWaalsContact CB-CE1 3.46Å; F211-F256 HydrophobicContact CB-CE2 4.06Å; F211-F256 HydrophobicContact CB-CG 3.75Å; F211-F256 HydrophobicContact CB-CZ 3.79Å; F211-F256 HydrophobicContact CD1-CB 4.02Å; F211-F256 HydrophobicContact CD1-CD1 4.39Å; F211-F256 AromaticContact CD1-CD2 3.96Å; F211-F256 HydrophobicContact CD1-CD2 3.96Å; F211-F256 AromaticContact CD1-CG 3.85Å; F211-F256 HydrophobicContact CD1-CG 3.85Å; F211-F256 AromaticContact CD2-CD2 3.58Å; F211-F256 HydrophobicContact CD2-CD2 3.58Å; F211-F256 HydrophobicContact CD2-CE1 4.44Å; F211-F256 AromaticContact CD2-CE2 3.46Å; F211-F256 HydrophobicContact CD2-CE2 3.46Å; F211-F256 VanDerWaalsContact CD2-CE2 3.46Å; F211-F256 HydrophobicContact CD2-CG 4.15Å; F211-F256 AromaticContact CD2-CZ 3.93Å; F211-F256 HydrophobicContact CD2-CZ 3.93Å; F211-F256 HydrophobicContact CE1-CB 4.5Å; F211-F256 HydrophobicContact CE1-CD2 4.33Å; F211-F256 AromaticContact CE2-CD2 3.99Å; F211-F256 HydrophobicContact CE2-CD2 3.99Å; F211-F256 HydrophobicContact CE2-CE2 4.06Å; F211-F256 HydrophobicContact CG-CB 4.34Å; F211-F256 AromaticContact CG-CD1 3.92Å; F211-F256 HydrophobicContact CG-CD1 3.92Å; F211-F256 AromaticContact CG-CD2 3.59Å; F211-F256 HydrophobicContact CG-CD2 3.59Å; F211-F256 HydrophobicContact CG-CE1 4.11Å; F211-F256 AromaticContact CG-CE2 3.81Å; F211-F256 HydrophobicContact CG-CE2 3.81Å; F211-F256 AromaticContact CG-CG 3.66Å; F211-F256 HydrophobicContact CG-CG 3.66Å; F211-F256 HydrophobicContact CG-CZ 4.07Å; F211-F256 HydrophobicContact CZ-CD2 4.37Å; E212-F256 HydrophobicContact CG-CE1 4.28Å; F217-F256 HydrophobicContact CD1-CB 4.4Å; E218-F256 CarbonylContact O-C 3.29Å; E218-F256 WeakPolarHBondContact O-CA 3.31Å; R219-F256 HydrophobicContact CB-CD1 3.94Å; R219-F256 HydrophobicContact CB-CE1 3.92Å; R219-F256 HydrophobicContact CG-CD1 4.3Å; R219-F256 HydrophobicContact CG-CE1 4Å; A254-F256 HydrophobicContact CB-CE2 3.74Å; A254-F256 HydrophobicContact CB-CZ 3.66Å
257	R	98.8	Very high	90.7	Very high	83 Å²	83	64.8 Å²	64.8	31%	0.313	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.4	174.3	-173.8	-178.6	-59.1	117.9	-1.3	109.6	G192 L193 F217 E218 V220 I259	G192-R257 WeakPolarHBondContact O-CA 3.41Å; L193-R257 HydrophobicContact CD2-CB 3.81Å; L193-R257 HydrophobicContact CD2-CG 4.09Å; F217-R257 VanDerWaalsContact CA-O 3.3Å; F217-R257 WeakPolarHBondContact CA-O 3.42Å; E218-R257 HydrophobicContact CG-CB 3.91Å; E218-R257 PolarHBondContact N-O 3.21Å; E218-R257 PolarHBondContact O-N 3.23Å; E218-R257 WeakPolarHBondContact OE1-CD 3.35Å; E218-R257 IonicContact OE1-CZ 3.7Å; E218-R257 IonicContact OE1-NE 3.95Å; E218-R257 IonicContact OE1-NH1 2.71Å; E218-R257 PolarHBondContact OE1-NH1 3.45Å; V220-R257 HydrophobicContact CG2-CB 3.7Å; R257-I259 PolarHBondContact O-N 3.22Å
258	R	98.7	Very high	88.7	Confident	25 Å²	25	63.2 Å²	63.2	9%	0.094	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	117.1	170.9	-168	-72.8	-164.3	-153.3	-1	108.5	A185 L188 R189 V190 G191 G192 L216 F217	A185-R258 PolarHBondContact O-NE 2.8Å; A185-R258 PolarHBondContact O-NH2 3.07Å; A185-R258 VanDerWaalsContact O-NH2 3.13Å; L188-R258 HydrophobicContact CB-CG 4.3Å; L188-R258 HydrophobicContact CD2-CB 3.76Å; L188-R258 HydrophobicContact CD2-CG 4.31Å; L188-R258 HydrophobicContact CG-CB 3.97Å; L188-R258 HydrophobicContact CG-CG 4.28Å; L188-R258 PolarHBondContact O-NE 3.16Å; R189-R258 WeakPolarHBondContact O-CB 3.44Å; V190-R258 CarbonylContact C-O 3.58Å; V190-R258 WeakPolarHBondContact CA-O 3.35Å; G191-R258 PolarHBondContact N-O 3.45Å; G192-R258 PolarHBondContact O-N 3.34Å; L216-R258 CarbonylContact O-C 3.58Å; L216-R258 WeakPolarHBondContact O-CA 3.47Å; F217-R258 HydrophobicContact CD1-CB 4.19Å; F217-R258 HydrophobicContact CE1-CB 3.86Å; F217-R258 HydrophobicContact CE1-CG 4.02Å; F217-R258 HydrophobicContact CZ-CG 4.45Å
259	I	98.3	Very high	86.6	Confident	32 Å²	32	65.1 Å²	65.1	16%	0.164	37%	0.368	C	S	.	.			trans	-106.1	163.9	179.1	55.9	171	0	0	0	111.1	L216 E218 R257 P262	L216-I259 PolarHBondContact O-N 3.34Å; E218-I259 HydrophobicContact CB-CD1 4.35Å; E218-I259 HydrophobicContact CB-CG2 4.42Å; E218-I259 HydrophobicContact CG-CG2 3.7Å; E218-I259 WeakPolarHBondContact OE1-CG2 3.34Å; R257-I259 PolarHBondContact O-N 3.22Å; I259-P262 HydrophobicContact CD1-CG 4.3Å
260	Q	95.7	Very high	84.5	Confident	85 Å²	85	72.6 Å²	72.6	40%	0.397	39%	0.392	S	S	.	.			trans	-70.3	159.7	165.2	-60.9	-179.7	31.2	0	0	109.1	V190 P262 Q265	V190-Q260 HydrophobicContact CB-CG 4.31Å; V190-Q260 HydrophobicContact CG1-CG 3.83Å; V190-Q260 HydrophobicContact CG2-CG 3.45Å; V190-Q260 VanDerWaalsContact CG2-CG 3.45Å; Q260-P262 VanDerWaalsContact O-CD 3.26Å; Q260-P262 WeakPolarHBondContact O-CD 3.29Å; Q260-P262 VanDerWaalsContact O-N 3.17Å; Q260-Q265 HydrophobicContact CB-CG 3.56Å; Q260-Q265 HydrophobicContact CG-CG 4.32Å
261	D	89.9	Confident	82.1	Confident	47 Å²	47	71.4 Å²	71.4	25%	0.251	40%	0.399	S	S	.	.			trans	-59.6	119.6	171.5	-170.1	-45.7	0	0	0	109	L216 V263 L264 Q265	L216-D261 HydrophobicContact CD2-CB 3.78Å; D261-V263 PolarHBondContact O-N 3.04Å; D261-V263 WeakPolarHBondContact OD1-CB 3.3Å; D261-V263 PolarHBondContact OD1-N 2.78Å; D261-L264 HydrophobicContact CB-CB 4.09Å; D261-L264 HydrophobicContact CB-CD1 3.9Å; D261-L264 HydrophobicContact CB-CG 3.93Å; D261-L264 PolarHBondContact O-N 3.15Å; D261-Q265 PolarHBondContact O-N 3.09Å
262	P	85.4	Confident	79.5	Confident	66 Å²	66	74.5 Å²	74.5	43%	0.429	42%	0.424	S	S	.	.	H	α-helix	trans	-58.3	-31.9	-177.1	-25.5	34.6	0	0	0	113.1	P215 I259 Q260 A266	P215-P262 WeakPolarHBondContact O-CD 3.45Å; I259-P262 HydrophobicContact CD1-CG 4.3Å; Q260-P262 VanDerWaalsContact O-CD 3.26Å; Q260-P262 WeakPolarHBondContact O-CD 3.29Å; Q260-P262 VanDerWaalsContact O-N 3.17Å; P262-A266 PolarHBondContact O-N 3.18Å
263	V	84.6	Confident	76.9	Confident	106 Å²	106	79.8 Å²	79.8	64%	0.642	45%	0.454	S	S	*	.	H	α-helix	trans	-70.2	-38.6	179	-177.1	0	0	0	0	110.4	D261 V267	D261-V263 PolarHBondContact O-N 3.04Å; D261-V263 WeakPolarHBondContact OD1-CB 3.3Å; D261-V263 PolarHBondContact OD1-N 2.78Å; V263-V267 WeakPolarHBondContact O-CG2 3.34Å
264	L	80.5	Confident	74.3	Confident	111 Å²	111	83.5 Å²	83.5	58%	0.581	48%	0.477	S	S	*	.	H	α-helix	trans	-75.6	-31.5	177.8	-61.4	179.1	0	0	0	112.4	D261 V267 T268	D261-L264 HydrophobicContact CB-CB 4.09Å; D261-L264 HydrophobicContact CB-CD1 3.9Å; D261-L264 HydrophobicContact CB-CG 3.93Å; D261-L264 PolarHBondContact O-N 3.15Å; L264-V267 PolarHBondContact O-N 2.99Å; L264-T268 PolarHBondContact O-N 3.03Å; L264-T268 PolarHBondContact O-OG1 3.31Å
265	Q	74.3	Confident	72	Confident	89 Å²	89	87.1 Å²	87.1	42%	0.416	52%	0.515	S	S	.	.	H	α-helix	trans	-61.7	-44.7	173.2	-79.2	-174.1	-32.2	0	0	112	Q260 D261 V267 T268	Q260-Q265 HydrophobicContact CB-CG 3.56Å; Q260-Q265 HydrophobicContact CG-CG 4.32Å; D261-Q265 PolarHBondContact O-N 3.09Å; Q265-V267 PolarHBondContact O-N 3.13Å; Q265-V267 VanDerWaalsContact O-N 3.16Å; Q265-T268 PolarHBondContact O-N 2.93Å
266	A	65.9	Low	69.2	Low	90 Å²	90	99.6 Å²	99.6	74%	0.744	57%	0.573	S	S	*	*	H	α-helix	trans	-62.5	-22.1	-179.7	0	0	0	0	0	113.6	P262	P262-A266 PolarHBondContact O-N 3.18Å
267	V	63.3	Low	67.7	Low	112 Å²	112	104.6 Å²	104.6	68%	0.679	60%	0.601	S	S	*	*	H	α-helix	trans	-93.3	-16.8	-178.5	-179.3	0	0	0	0	112.3	V263 L264 Q265 P269	V263-V267 WeakPolarHBondContact O-CG2 3.34Å; L264-V267 PolarHBondContact O-N 2.99Å; Q265-V267 PolarHBondContact O-N 3.13Å; Q265-V267 VanDerWaalsContact O-N 3.16Å; V267-P269 VanDerWaalsContact O-CD 3.28Å; V267-P269 WeakPolarHBondContact O-CD 3.37Å
268	T	52.8	Low	66	Low	92 Å²	92	105.7 Å²	105.7	56%	0.564	62%	0.617	S	S	*	*	S	Bend	trans	-92.7	109	-178	-44.2	0	0	0	0	109.6	L264 Q265 Q270	L264-T268 PolarHBondContact O-N 3.03Å; L264-T268 PolarHBondContact O-OG1 3.31Å; Q265-T268 PolarHBondContact O-N 2.93Å; T268-Q270 PolarHBondContact O-N 3.18Å
269	P	50.1	Low	64.2	Low	107 Å²	107	110.2 Å²	110.2	70%	0.695	65%	0.646	S	S	*	*			trans	-61.1	129.2	178.4	21.9	-30.1	0	0	0	109.7	V267 T271	V267-P269 VanDerWaalsContact O-CD 3.28Å; V267-P269 WeakPolarHBondContact O-CD 3.37Å; P269-T271 PolarHBondContact O-N 2.89Å
270	Q	51.4	Low	62.2	Low	193 Å²	193	114.8 Å²	114.8	90%	0.902	67%	0.674	S	S	*	*			trans	-56.9	105.1	170.7	-76.6	-172.9	-13.5	0	0	108.1	T268 S272	T268-Q270 PolarHBondContact O-N 3.18Å; Q270-S272 PolarHBondContact O-N 3Å
271	T	45.1	Very low	60.1	Low	134 Å²	134	116.7 Å²	116.7	82%	0.822	69%	0.691	S	S	*	*			trans	-73.3	88.9	166.7	23.2	0	0	0	0	106.5	P269 L273	P269-T271 PolarHBondContact O-N 2.89Å; T271-L273 PolarHBondContact O-N 3.37Å
272	S	42.2	Very low	58.1	Low	107 Å²	107	121.3 Å²	121.3	75%	0.748	72%	0.721	S	S	*	*			trans	-60.7	105.9	164.1	55.3	0	0	0	0	107.5	Q270	Q270-S272 PolarHBondContact O-N 3Å
273	L	43.4	Very low	56.2	Low	159 Å²	159	125.3 Å²	125.3	83%	0.832	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-61.2	129.2	164.6	-78.2	162.2	0	0	0	107.5	T271 G275	T271-L273 PolarHBondContact O-N 3.37Å; L273-G275 PolarHBondContact O-N 3.01Å
274	P	43.8	Very low	54	Low	112 Å²	112	126.8 Å²	126.8	73%	0.727	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-60.5	131.9	173.2	-16.1	28.2	0	0	0	109.1	H276	P274-H276 PolarHBondContact O-N 3.13Å
275	G	49.4	Very low	51.8	Low	78 Å²	78	128.1 Å²	128.1	80%	0.804	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-56.9	135.4	175.5	0	0	0	0	0	111.5	L273	L273-G275 PolarHBondContact O-N 3.01Å
276	H	40	Very low	49.8	Very low	264 Å²	264	131.6 Å²	131.6	100%	1.222	80%	0.795	S	S	*	*			trans	-100.5	0	159.8	-80.8	-55.4	0	0	0	109	P274	P274-H276 PolarHBondContact O-N 3.13Å

Retrieved 276 of 276 residues in 89.7 ms (Link to these results)

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