G4LXH7_SCHMA Loading...

Thioredoxin peroxidase

Thiol-specific peroxidase that catalyzes the reduction of hydrogen peroxide and organic hydroperoxides to water and alcohols, respectively.

AlphaFold DB , UniProt , Accession G4LXH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 219 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	40.8	Very low	41.3	Very low	237 Å²	237	162.1 Å²	162.1	100%	1.167	89%	0.888	S	S	*	*				0	122.3	0	-153.1	169.8	85.1	0	0	106
2	L	40.6	Very low	41	Very low	164 Å²	164	170 Å²	170	86%	0.859	90%	0.895	S	S	*	*			trans	86.6	86.6	-166.2	-61.7	152.2	0	0	0	115.5
3	L	45.2	Very low	41.1	Very low	181 Å²	181	172.9 Å²	172.9	95%	0.948	89%	0.888	S	S	*	*			trans	179.8	64.7	144.3	-98.3	145.8	0	0	0	109
4	Q	40.2	Very low	40.9	Very low	202 Å²	202	170.8 Å²	170.8	94%	0.944	88%	0.88	S	S	*	*			trans	-138.6	116.9	162.9	-81.8	-172.7	-16.2	0	0	107.2
5	G	40.8	Very low	41.1	Very low	68 Å²	68	173.5 Å²	173.5	70%	0.701	87%	0.874	S	S	*	*			trans	139.9	80.5	167.5	0	0	0	0	0	113.7
6	F	43	Very low	41	Very low	210 Å²	210	168.5 Å²	168.5	92%	0.921	86%	0.86	S	S	*	*			trans	-160.3	56.9	160.1	-105.3	-70.4	0	0	0	111.8
7	I	43.3	Very low	41.2	Very low	168 Å²	168	165.4 Å²	165.4	86%	0.862	86%	0.857	S	S	*	*			trans	-145.2	79.4	162.6	-50.5	178.3	0	0	0	109.9
8	K	40	Very low	41.4	Very low	219 Å²	219	163.3 Å²	163.3	95%	0.952	85%	0.852	S	S	*	*			trans	-156.8	102.3	154.1	-79.2	-163.3	177.6	171.3	0	109.7
9	G	40.2	Very low	41.7	Very low	72 Å²	72	158.9 Å²	158.9	74%	0.742	84%	0.837	S	S	*	*			trans	174.3	82.6	172.2	0	0	0	0	0	109.3
10	A	40.4	Very low	41.8	Very low	98 Å²	98	157.1 Å²	157.1	81%	0.81	83%	0.828	S	S	*	*				61.4	92.3	92.3	0	0	0	0	0	113.4
11	L	40	Very low	41.8	Very low	164 Å²	164	157.2 Å²	157.2	86%	0.859	83%	0.828	S	S	*	*			trans	-148.7	98.5	150.9	-100.8	143.6	0	0	0	108.1	Y13	L11-Y13 PolarHBondContact O-N 3.21Å
12	R	38.1	Very low	41.9	Very low	257 Å²	257	149.3 Å²	149.3	97%	0.97	80%	0.796	S	S	*	*			trans	-64.9	107.3	164.8	-86.7	176.7	168.2	-178.4	-3.7	107.4
13	Y	42.2	Very low	42.1	Very low	208 Å²	208	150.6 Å²	150.6	82%	0.816	79%	0.789	S	S	*	*			trans	-106.8	134.3	169.3	-153.2	-96.7	0	0	0	110.4	L11 R15	L11-Y13 PolarHBondContact O-N 3.21Å; Y13-R15 PolarHBondContact O-N 3.19Å
14	N	37.4	Very low	42.5	Very low	143 Å²	143	150 Å²	150	77%	0.765	78%	0.781	S	S	*	*			trans	-71.4	102.4	-169.2	-156	7.5	0	0	0	110.7	S16	N14-S16 PolarHBondContact O-N 2.93Å
15	R	44.2	Very low	43.3	Very low	212 Å²	212	147.8 Å²	147.8	80%	0.8	77%	0.765	S	S	*	*			trans	-89.5	90.8	178.3	-75.1	-175.7	178.5	-169.4	1.4	110.4	Y13 E142	Y13-R15 PolarHBondContact O-N 3.19Å; R15-E142 IonicContact CZ-OE1 3.35Å; R15-E142 IonicContact NH2-OE1 3.98Å; R15-E142 PolarHBondContact NH2-OE1 2.9Å
16	S	40	Very low	45.2	Very low	93 Å²	93	146.3 Å²	146.3	65%	0.65	75%	0.747	S	S	*	*			trans	-148.5	16.5	173.9	72.5	0	0	0	0	118.3	N14	N14-S16 PolarHBondContact O-N 2.93Å
17	S	43.5	Very low	47.7	Very low	115 Å²	115	136.9 Å²	136.9	80%	0.804	71%	0.708	S	S	*	*	S	Bend	trans	-134.7	3.6	179.6	68.3	0	0	0	0	118.2
18	V	45.8	Very low	50.3	Low	128 Å²	128	134 Å²	134	78%	0.776	69%	0.69	S	S	*	*	S	Bend	trans	-116.6	4	-176.2	-163.5	0	0	0	0	113.5
19	S	47.6	Very low	53	Low	80 Å²	80	126.8 Å²	126.8	56%	0.559	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-3.3	-159.9	56.6	0	0	0	0	118.2
20	N	42	Very low	55.7	Low	122 Å²	122	131.1 Å²	131.1	65%	0.652	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-23.9	-172.6	-80	-18.7	0	0	0	116.3
21	L	42.4	Very low	58.5	Low	160 Å²	160	134.4 Å²	134.4	84%	0.838	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-27.6	178.6	-112.9	81.7	0	0	0	113.5	R23	L21-R23 VanDerWaalsContact C-N 3.29Å; L21-R23 PolarHBondContact O-N 3.25Å
22	C	42.8	Very low	61.2	Low	72 Å²	72	131 Å²	131	49%	0.486	64%	0.644	S	S	.	*	G	3₁₀ helix	trans	-78.5	-10.7	-176.3	-147.5	0	0	0	0	113.5	H24	C22-H24 VanDerWaalsContact C-N 3.34Å; C22-H24 PolarHBondContact O-N 3.23Å
23	R	44.9	Very low	64.1	Low	190 Å²	190	119.2 Å²	119.2	72%	0.717	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-75.9	-14.5	-177.8	-88.5	-178.5	171.6	178	-2.6	115.1	L21	L21-R23 VanDerWaalsContact C-N 3.29Å; L21-R23 PolarHBondContact O-N 3.25Å
24	H	53.1	Low	66.7	Low	170 Å²	170	110.3 Å²	110.3	79%	0.787	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-86.4	-10.4	-177.5	-88.3	60.4	0	0	0	114.4	C22	C22-H24 VanDerWaalsContact C-N 3.34Å; C22-H24 PolarHBondContact O-N 3.23Å
25	Y	58.7	Low	69.6	Low	155 Å²	155	109 Å²	109	61%	0.608	56%	0.563	S	S	*	*	S	Bend	trans	-106.3	-8.6	-171.7	-77.1	-83.1	0	0	0	115	A27 D135	Y25-A27 PolarHBondContact O-N 2.86Å; Y25-D135 CarbonylContact C-O 3.49Å
26	A	79.7	Confident	72.2	Confident	37 Å²	37	99.2 Å²	99.2	31%	0.306	53%	0.526	S	S	.	.	S	Bend	trans	-65.5	136.1	-176.2	0	0	0	0	0	112.4	H28 D135	A26-H28 PolarHBondContact O-CD2 3.33Å; A26-H28 PolarHBondContact O-N 3.5Å; A26-H28 PolarHBondContact O-NE2 2.96Å; A26-D135 WeakPolarHBondContact CA-O 3.38Å
27	A	95.4	Very high	74.9	Confident	12 Å²	12	98.7 Å²	98.7	10%	0.099	52%	0.521	C	S	.	.			trans	-54.4	129.7	171.2	0	0	0	0	0	112.5	Y25 P34 D135 Y136 F151 I159 I162	Y25-A27 PolarHBondContact O-N 2.86Å; A27-P34 HydrophobicContact CB-CG 4.2Å; A27-D135 PolarHBondContact N-O 3.41Å; A27-Y136 HydrophobicContact CB-CD1 4.08Å; A27-F151 HydrophobicContact CB-CD1 4.08Å; A27-F151 HydrophobicContact CB-CE1 3.52Å; A27-F151 HydrophobicContact CB-CZ 4.33Å; A27-I159 HydrophobicContact CB-CD1 3.49Å; A27-I159 VanDerWaalsContact CB-CD1 3.49Å; A27-I162 HydrophobicContact CB-CD1 4.49Å
28	H	97	Very high	77.5	Confident	107 Å²	107	93.9 Å²	93.9	50%	0.495	49%	0.49	S	S	.	.			trans	-132.5	137	179.2	-72.1	-68.5	0	0	0	111.5	A26 R31	A26-H28 PolarHBondContact O-CD2 3.33Å; A26-H28 PolarHBondContact O-N 3.5Å; A26-H28 PolarHBondContact O-NE2 2.96Å; H28-R31 HydrophobicContact CB-CB 4.18Å; H28-R31 HydrophobicContact CB-CG 3.76Å; H28-R31 WeakPolarHBondContact O-CB 3.21Å; H28-R31 PolarHBondContact O-N 3.49Å; H28-R31 VanDerWaalsContact O-N 3.1Å
29	V	98	Very high	80	Confident	68 Å²	68	89.5 Å²	89.5	41%	0.412	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	141.8	172	177.7	0	0	0	0	110	R31 I159 I162	V29-R31 PolarHBondContact O-N 2.75Å; V29-I159 CarbonylContact C-O 3.52Å; V29-I159 WeakPolarHBondContact CA-O 3.45Å; V29-I159 HydrophobicContact CG2-CG2 4.23Å; V29-I162 HydrophobicContact CG2-CD1 3.99Å; V29-I162 HydrophobicContact CG2-CG1 3.86Å
30	Q	97.4	Very high	82.5	Confident	162 Å²	162	85.7 Å²	85.7	76%	0.757	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	9.6	-171.4	-55.6	176.7	20.4	0	0	115.5	I159	Q30-I159 PolarHBondContact N-O 3.39Å
31	R	97.8	Very high	85.2	Confident	168 Å²	168	80 Å²	80	63%	0.634	41%	0.407	S	S	*	.	S	Bend	trans	-112.6	156.7	172.3	-57.4	-58.7	-174.4	178.2	0.7	110.8	H28 V29 A33 I159	H28-R31 HydrophobicContact CB-CB 4.18Å; H28-R31 HydrophobicContact CB-CG 3.76Å; H28-R31 WeakPolarHBondContact O-CB 3.21Å; H28-R31 PolarHBondContact O-N 3.49Å; H28-R31 VanDerWaalsContact O-N 3.1Å; V29-R31 PolarHBondContact O-N 2.75Å; R31-A33 PolarHBondContact O-N 3.16Å; R31-I159 PolarHBondContact O-N 3.11Å
32	P	97.6	Very high	87.9	Confident	92 Å²	92	73.5 Å²	73.5	60%	0.597	37%	0.373	S	S	*	.	B	Isolated β-bridge	trans	-52.3	138.9	168.3	-25.2	34.9	0	0	0	110.9	G157 I158	P32-G157 CarbonylContact C-O 3.51Å; P32-G157 WeakPolarHBondContact CA-O 3.26Å; P32-I158 HydrophobicContact CB-CD1 4.41Å; P32-I158 HydrophobicContact CG-CD1 3.96Å
33	A	98.3	Very high	90.4	Very high	9 Å²	9	75.9 Å²	75.9	7%	0.074	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-64.6	138.2	174.1	0	0	0	0	0	110.2	R31 D35 L51 I153 G157 I159	R31-A33 PolarHBondContact O-N 3.16Å; A33-D35 PolarHBondContact O-N 3.04Å; A33-L51 HydrophobicContact CB-CD2 4.07Å; A33-I153 HydrophobicContact CB-CD1 3.68Å; A33-I153 HydrophobicContact CB-CG1 3.96Å; A33-I153 HydrophobicContact CB-CG2 4.07Å; A33-G157 PolarHBondContact N-O 3.11Å; A33-I159 HydrophobicContact CB-CD1 4.12Å; A33-I159 HydrophobicContact CB-CG1 3.7Å
34	P	98	Very high	92.8	Very high	22 Å²	22	68.7 Å²	68.7	14%	0.143	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-53.8	131.8	172.6	-24.6	33.3	0	0	0	110.7	A27 D135 Y136	A27-P34 HydrophobicContact CB-CG 4.2Å; P34-D135 HydrophobicContact CB-CB 3.96Å; P34-Y136 HydrophobicContact CB-CD2 4.18Å; P34-Y136 HydrophobicContact CB-CE2 3.84Å; P34-Y136 HydrophobicContact CG-CD2 4.36Å; P34-Y136 HydrophobicContact CG-CE2 4.25Å; P34-Y136 VanDerWaalsContact O-CE2 3.28Å; P34-Y136 WeakPolarHBondContact O-CE2 3.48Å; P34-Y136 PolarHBondContact O-OH 2.96Å
35	D	97.5	Very high	95	Very high	116 Å²	116	66.3 Å²	66.3	62%	0.62	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-64.8	151.1	-179.3	-165.1	22	0	0	0	110.7	A33 L51	A33-D35 PolarHBondContact O-N 3.04Å; D35-L51 WeakPolarHBondContact OD1-CB 3.39Å
36	F	98	Very high	96.9	Very high	6 Å²	6	63 Å²	63	3%	0.026	35%	0.345	C	S	.	.			trans	-146.1	150.6	174.5	66.7	-102.2	0	0	0	110.7	I49 K50 L51 F54 L59 L61 L125 V132 Y136	F36-I49 HydrophobicContact CE2-CD1 4.47Å; F36-K50 CarbonylContact O-C 3.55Å; F36-K50 WeakPolarHBondContact O-CA 3.47Å; F36-K50 WeakPolarHBondContact O-CB 3.32Å; F36-L51 HydrophobicContact CD1-CB 3.79Å; F36-L51 HydrophobicContact CD1-CD1 4.35Å; F36-L51 HydrophobicContact CD1-CG 4.5Å; F36-L51 HydrophobicContact CE1-CB 3.69Å; F36-L51 HydrophobicContact CE1-CD1 3.66Å; F36-L51 HydrophobicContact CE1-CG 4.2Å; F36-L51 HydrophobicContact CE2-CB 4.49Å; F36-L51 HydrophobicContact CG-CB 4.26Å; F36-L51 HydrophobicContact CZ-CB 4.05Å; F36-L51 HydrophobicContact CZ-CD1 4.26Å; F36-L51 PolarHBondContact O-N 3.37Å; F36-F54 HydrophobicContact CE2-CE2 4.38Å; F36-F54 HydrophobicContact CZ-CD2 4.37Å; F36-F54 HydrophobicContact CZ-CE2 4.17Å; F36-L59 HydrophobicContact CE1-CD2 4.43Å; F36-L59 HydrophobicContact CZ-CD2 4.35Å; F36-L61 HydrophobicContact CD1-CD2 4.22Å; F36-L61 HydrophobicContact CE1-CD1 4.06Å; F36-L61 HydrophobicContact CE1-CD2 3.85Å; F36-L61 HydrophobicContact CZ-CD1 4.1Å; F36-L125 HydrophobicContact CD2-CD2 3.83Å; F36-L125 HydrophobicContact CE2-CD2 4.14Å; F36-L125 HydrophobicContact CG-CD2 4.49Å; F36-V132 HydrophobicContact CB-CB 4.47Å; F36-V132 HydrophobicContact CB-CG1 3.79Å; F36-V132 HydrophobicContact CB-CG2 3.81Å; F36-V132 HydrophobicContact CG-CG1 4.37Å; F36-Y136 HydrophobicContact CD1-CE2 4.26Å
37	C	97.8	Very high	97.8	Very high	82 Å²	82	65.2 Å²	65.2	55%	0.554	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.2	140.7	170.5	-173.7	0	0	0	0	108.5	I49 K50	C37-I49 CarbonylContact C-O 3.58Å; C37-I49 VanDerWaalsContact CA-O 3.31Å; C37-I49 WeakPolarHBondContact CA-O 3.39Å; C37-K50 HydrophobicContact CB-CB 4.11Å
38	G	98.2	Very high	97.9	Very high	14 Å²	14	70.1 Å²	70.1	14%	0.144	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	179.9	171.4	0	0	0	0	0	113.8	I49	G38-I49 PolarHBondContact N-O 3.47Å; G38-I49 PolarHBondContact O-N 2.89Å
39	T	98.7	Very high	98	Very high	36 Å²	36	65.7 Å²	65.7	22%	0.221	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	124.2	-178.5	-44.7	0	0	0	0	111.1	F46 E48 H101 A126	T39-F46 HydrophobicContact CG2-CB 4.02Å; T39-E48 WeakPolarHBondContact CA-OE1 3.49Å; T39-E48 WeakPolarHBondContact CB-OE1 3.39Å; T39-E48 PolarHBondContact N-OE1 2.78Å; T39-E48 VanDerWaalsContact N-OE1 3.15Å; T39-E48 PolarHBondContact OG1-OE1 2.94Å; T39-H101 HydrophobicContact CG2-CB 3.99Å; T39-A126 WeakPolarHBondContact O-CB 3.42Å; T39-A126 PolarHBondContact O-N 2.83Å
40	A	98.8	Very high	98	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	156.2	171.8	0	0	0	0	0	111.6	V42 F46 K47 I49 P123 L124 L125	A40-V42 HydrophobicContact CB-CG2 4.17Å; A40-F46 WeakPolarHBondContact O-CA 3.49Å; A40-K47 PolarHBondContact N-O 3.29Å; A40-K47 PolarHBondContact O-N 3.34Å; A40-I49 HydrophobicContact CB-CD1 3.68Å; A40-I49 HydrophobicContact CB-CG1 3.87Å; A40-I49 HydrophobicContact CB-CG2 4.26Å; A40-P123 HydrophobicContact CB-CB 4.21Å; A40-L124 CarbonylContact C-O 3.55Å; A40-L124 WeakPolarHBondContact CA-O 3.43Å; A40-L124 WeakPolarHBondContact CB-O 3.42Å; A40-L125 HydrophobicContact CB-CB 4.37Å; A40-L125 HydrophobicContact CB-CD1 4.3Å
41	V	98.7	Very high	98	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.018	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.6	163.8	-173.1	0	0	0	0	108.4	Q45 F46 H101 H104 L105 I108 P123 L124	V41-Q45 CarbonylContact C-O 3.33Å; V41-Q45 WeakPolarHBondContact CA-O 3.45Å; V41-F46 HydrophobicContact CG2-CD1 4.08Å; V41-F46 HydrophobicContact CG2-CE1 4.04Å; V41-H101 HydrophobicContact CG2-CB 4.37Å; V41-H101 WeakPolarHBondContact CG2-O 3.4Å; V41-H104 HydrophobicContact CB-CB 4.5Å; V41-H104 HydrophobicContact CG2-CB 3.63Å; V41-L105 HydrophobicContact CG1-CD1 4.06Å; V41-L105 HydrophobicContact CG2-CB 4.2Å; V41-I108 HydrophobicContact CB-CD1 3.81Å; V41-I108 HydrophobicContact CG1-CD1 3.56Å; V41-I108 HydrophobicContact CG2-CD1 4.45Å; V41-P123 WeakPolarHBondContact O-CA 3.3Å; V41-L124 PolarHBondContact N-O 2.99Å; V41-L124 PolarHBondContact O-N 2.96Å; V41-L124 VanDerWaalsContact O-N 3.08Å
42	V	98.3	Very high	98	Very high	22 Å²	22	61.9 Å²	61.9	13%	0.133	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	119	179.5	-173.7	0	0	0	0	108.1	A40 G44 Q45 K47 I49 P123	A40-V42 HydrophobicContact CB-CG2 4.17Å; V42-G44 PolarHBondContact O-N 2.81Å; V42-Q45 PolarHBondContact N-O 3.16Å; V42-Q45 PolarHBondContact O-N 3.07Å; V42-K47 HydrophobicContact CB-CB 4.5Å; V42-K47 HydrophobicContact CB-CD 3.97Å; V42-K47 HydrophobicContact CB-CG 4.35Å; V42-K47 HydrophobicContact CG1-CD 4.31Å; V42-K47 HydrophobicContact CG2-CB 4.21Å; V42-K47 HydrophobicContact CG2-CD 4.44Å; V42-I49 HydrophobicContact CG2-CG2 4.39Å; V42-P123 HydrophobicContact CG2-CB 3.83Å; V42-P123 HydrophobicContact CG2-CG 3.94Å
43	D	96.1	Very high	98.1	Very high	122 Å²	122	61.5 Å²	61.5	65%	0.652	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	40.4	-177.5	-52.9	-45.6	0	0	0	113	Q45	D43-Q45 VanDerWaalsContact C-N 3.27Å; D43-Q45 PolarHBondContact O-N 3.25Å
44	G	96.2	Very high	98	Very high	40 Å²	40	62.1 Å²	62.1	41%	0.412	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	8.3	-179.9	0	0	0	0	0	115.3	V42	V42-G44 PolarHBondContact O-N 2.81Å
45	Q	97.9	Very high	98	Very high	119 Å²	119	64.5 Å²	64.5	56%	0.556	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119	152.1	179.7	-61	178.5	-4.6	0	0	111.4	V41 V42 D43	V41-Q45 CarbonylContact C-O 3.33Å; V41-Q45 WeakPolarHBondContact CA-O 3.45Å; V42-Q45 PolarHBondContact N-O 3.16Å; V42-Q45 PolarHBondContact O-N 3.07Å; D43-Q45 VanDerWaalsContact C-N 3.27Å; D43-Q45 PolarHBondContact O-N 3.25Å
46	F	98.6	Very high	98	Very high	87 Å²	87	61.9 Å²	61.9	38%	0.382	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	124.6	170.5	-54.6	-37.4	0	0	0	110	T39 A40 V41 H101 F102 L105	T39-F46 HydrophobicContact CG2-CB 4.02Å; A40-F46 WeakPolarHBondContact O-CA 3.49Å; V41-F46 HydrophobicContact CG2-CD1 4.08Å; V41-F46 HydrophobicContact CG2-CE1 4.04Å; F46-H101 HydrophobicContact CD1-CB 4.13Å; F46-H101 AromaticContact CD1-CD2 3.84Å; F46-H101 HydrophobicContact CE1-CB 4.16Å; F46-H101 AromaticContact CE1-CD2 3.74Å; F46-H101 WeakPolarHBondContact CE1-O 3.16Å; F46-H101 AromaticContact CE2-CD2 3.96Å; F46-H101 AromaticContact CZ-CD2 3.8Å; F46-F102 HydrophobicContact CE2-CD1 4.06Å; F46-F102 AromaticContact CE2-CE1 3.76Å; F46-F102 HydrophobicContact CE2-CE1 3.76Å; F46-F102 AromaticContact CZ-CD1 3.79Å; F46-F102 HydrophobicContact CZ-CD1 3.79Å; F46-F102 AromaticContact CZ-CE1 4Å; F46-F102 HydrophobicContact CZ-CE1 4Å; F46-L105 HydrophobicContact CE1-CB 3.95Å; F46-L105 HydrophobicContact CE1-CD2 3.81Å; F46-L105 HydrophobicContact CE1-CG 4.47Å; F46-L105 HydrophobicContact CZ-CB 4.35Å; F46-L105 HydrophobicContact CZ-CD2 3.66Å
47	K	98.5	Very high	98	Very high	82 Å²	82	66.1 Å²	66.1	36%	0.357	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.7	175.8	-62.2	-171.9	-172.1	166.7	0	109.7	A40 V42	A40-K47 PolarHBondContact N-O 3.29Å; A40-K47 PolarHBondContact O-N 3.34Å; V42-K47 HydrophobicContact CB-CB 4.5Å; V42-K47 HydrophobicContact CB-CD 3.97Å; V42-K47 HydrophobicContact CB-CG 4.35Å; V42-K47 HydrophobicContact CG1-CD 4.31Å; V42-K47 HydrophobicContact CG2-CB 4.21Å; V42-K47 HydrophobicContact CG2-CD 4.44Å
48	E	98.6	Very high	98.1	Very high	115 Å²	115	62.8 Å²	62.8	54%	0.537	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.1	166.4	-71.5	-63.4	114.7	0	0	109.1	T39	T39-E48 WeakPolarHBondContact CA-OE1 3.49Å; T39-E48 WeakPolarHBondContact CB-OE1 3.39Å; T39-E48 PolarHBondContact N-OE1 2.78Å; T39-E48 VanDerWaalsContact N-OE1 3.15Å; T39-E48 PolarHBondContact OG1-OE1 2.94Å
49	I	98.6	Very high	98.1	Very high	14 Å²	14	62.2 Å²	62.2	7%	0.072	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	153	171.4	67	170.2	0	0	0	109.5	F36 C37 G38 A40 V42 D53 F54 V94 P123 L125	F36-I49 HydrophobicContact CE2-CD1 4.47Å; C37-I49 CarbonylContact C-O 3.58Å; C37-I49 VanDerWaalsContact CA-O 3.31Å; C37-I49 WeakPolarHBondContact CA-O 3.39Å; G38-I49 PolarHBondContact N-O 3.47Å; G38-I49 PolarHBondContact O-N 2.89Å; A40-I49 HydrophobicContact CB-CD1 3.68Å; A40-I49 HydrophobicContact CB-CG1 3.87Å; A40-I49 HydrophobicContact CB-CG2 4.26Å; V42-I49 HydrophobicContact CG2-CG2 4.39Å; I49-D53 WeakPolarHBondContact CA-OD2 3.49Å; I49-F54 HydrophobicContact CD1-CE2 4.48Å; I49-F54 HydrophobicContact CD1-CZ 4.38Å; I49-V94 HydrophobicContact CD1-CG1 4.14Å; I49-P123 HydrophobicContact CD1-CB 4Å; I49-L125 HydrophobicContact CD1-CB 4.3Å; I49-L125 HydrophobicContact CD1-CD1 4.18Å; I49-L125 HydrophobicContact CG1-CD1 3.94Å
50	K	98.5	Very high	98.1	Very high	95 Å²	95	60.5 Å²	60.5	41%	0.413	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	157.3	174.1	54.3	-174.1	170.9	-161.4	0	111	F36 C37 R52 D53 F54	F36-K50 CarbonylContact O-C 3.55Å; F36-K50 WeakPolarHBondContact O-CA 3.47Å; F36-K50 WeakPolarHBondContact O-CB 3.32Å; C37-K50 HydrophobicContact CB-CB 4.11Å; K50-R52 HydrophobicContact CD-CB 4.48Å; K50-R52 HydrophobicContact CG-CB 4.42Å; K50-R52 PolarHBondContact O-N 3.23Å; K50-R52 VanDerWaalsContact O-N 3.09Å; K50-D53 WeakPolarHBondContact CE-OD1 3.39Å; K50-D53 VanDerWaalsContact CG-CG 3.43Å; K50-D53 WeakPolarHBondContact CG-OD1 3.27Å; K50-D53 VanDerWaalsContact CG-OD2 3.27Å; K50-D53 WeakPolarHBondContact CG-OD2 3.29Å; K50-D53 PolarHBondContact N-OD2 3.39Å; K50-D53 WeakPolarHBondContact O-CB 3.5Å; K50-D53 PolarHBondContact O-N 3.19Å; K50-F54 WeakPolarHBondContact O-CD2 3.33Å
51	L	98.3	Very high	98.1	Very high	23 Å²	23	60.5 Å²	60.5	12%	0.12	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-51.2	-39.4	179.2	176	61.5	0	0	0	112	A33 D35 F36 D53 F54 L59 I153	A33-L51 HydrophobicContact CB-CD2 4.07Å; D35-L51 WeakPolarHBondContact OD1-CB 3.39Å; F36-L51 HydrophobicContact CD1-CB 3.79Å; F36-L51 HydrophobicContact CD1-CD1 4.35Å; F36-L51 HydrophobicContact CD1-CG 4.5Å; F36-L51 HydrophobicContact CE1-CB 3.69Å; F36-L51 HydrophobicContact CE1-CD1 3.66Å; F36-L51 HydrophobicContact CE1-CG 4.2Å; F36-L51 HydrophobicContact CE2-CB 4.49Å; F36-L51 HydrophobicContact CG-CB 4.26Å; F36-L51 HydrophobicContact CZ-CB 4.05Å; F36-L51 HydrophobicContact CZ-CD1 4.26Å; F36-L51 PolarHBondContact O-N 3.37Å; L51-D53 PolarHBondContact O-N 3.07Å; L51-F54 PolarHBondContact O-N 3.43Å; L51-F54 VanDerWaalsContact O-N 3.09Å; L51-L59 HydrophobicContact CD1-CD2 3.84Å; L51-I153 HydrophobicContact CD1-CD1 4.24Å
52	R	97.6	Very high	98.1	Very high	200 Å²	200	60.3 Å²	60.3	76%	0.755	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-63.6	-20.9	-179.3	-164.7	174.2	-178.9	177.3	1	114.3	K50 F54 A55	K50-R52 HydrophobicContact CD-CB 4.48Å; K50-R52 HydrophobicContact CG-CB 4.42Å; K50-R52 PolarHBondContact O-N 3.23Å; K50-R52 VanDerWaalsContact O-N 3.09Å; R52-F54 PolarHBondContact O-N 2.85Å; R52-A55 VanDerWaalsContact O-CB 3.3Å; R52-A55 WeakPolarHBondContact O-CB 3.5Å; R52-A55 PolarHBondContact O-N 2.73Å
53	D	98	Very high	98.1	Very high	85 Å²	85	59.3 Å²	59.3	46%	0.455	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-67.3	-17.7	176.2	-60.1	-27.4	0	0	0	112	I49 K50 L51	I49-D53 WeakPolarHBondContact CA-OD2 3.49Å; K50-D53 WeakPolarHBondContact CE-OD1 3.39Å; K50-D53 VanDerWaalsContact CG-CG 3.43Å; K50-D53 WeakPolarHBondContact CG-OD1 3.27Å; K50-D53 VanDerWaalsContact CG-OD2 3.27Å; K50-D53 WeakPolarHBondContact CG-OD2 3.29Å; K50-D53 PolarHBondContact N-OD2 3.39Å; K50-D53 WeakPolarHBondContact O-CB 3.5Å; K50-D53 PolarHBondContact O-N 3.19Å; L51-D53 PolarHBondContact O-N 3.07Å
54	F	98	Very high	98.2	Very high	22 Å²	22	53.5 Å²	53.5	10%	0.096	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-98.8	4.3	178.4	-53.9	-81.3	0	0	0	113.2	F36 I49 K50 L51 R52 G56 K57 L59 E92 V94	F36-F54 HydrophobicContact CE2-CE2 4.38Å; F36-F54 HydrophobicContact CZ-CD2 4.37Å; F36-F54 HydrophobicContact CZ-CE2 4.17Å; I49-F54 HydrophobicContact CD1-CE2 4.48Å; I49-F54 HydrophobicContact CD1-CZ 4.38Å; K50-F54 WeakPolarHBondContact O-CD2 3.33Å; L51-F54 PolarHBondContact O-N 3.43Å; L51-F54 VanDerWaalsContact O-N 3.09Å; R52-F54 PolarHBondContact O-N 2.85Å; F54-G56 PolarHBondContact O-N 2.92Å; F54-K57 PolarHBondContact O-N 3.09Å; F54-K57 VanDerWaalsContact O-N 3.13Å; F54-L59 HydrophobicContact CB-CB 4.38Å; F54-L59 HydrophobicContact CB-CD2 4.11Å; F54-L59 HydrophobicContact CD1-CD1 4.02Å; F54-L59 HydrophobicContact CD2-CD2 4Å; F54-L59 HydrophobicContact CE1-CD1 4.32Å; F54-L59 HydrophobicContact CG-CD1 4.16Å; F54-L59 HydrophobicContact CG-CD2 4Å; F54-E92 HydrophobicContact CD1-CB 3.66Å; F54-E92 HydrophobicContact CD1-CG 3.91Å; F54-E92 HydrophobicContact CE1-CB 4.03Å; F54-E92 HydrophobicContact CE1-CG 4.42Å; F54-V94 HydrophobicContact CE1-CG2 3.75Å; F54-V94 HydrophobicContact CE2-CG2 4.04Å; F54-V94 HydrophobicContact CZ-CG2 3.37Å
55	A	97.2	Very high	98.3	Very high	72 Å²	72	52.1 Å²	52.1	60%	0.595	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	139.3	179.8	0	0	0	0	0	111.9	R52 K57	R52-A55 VanDerWaalsContact O-CB 3.3Å; R52-A55 WeakPolarHBondContact O-CB 3.5Å; R52-A55 PolarHBondContact O-N 2.73Å; A55-K57 VanDerWaalsContact C-N 3.26Å; A55-K57 PolarHBondContact O-N 2.81Å
56	G	97.8	Very high	98.3	Very high	61 Å²	61	49.4 Å²	49.4	63%	0.629	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-2.1	-176.2	0	0	0	0	0	114.6	F54 A155	F54-G56 PolarHBondContact O-N 2.92Å; G56-A155 WeakPolarHBondContact CA-O 3.38Å; G56-A155 PolarHBondContact N-O 3.46Å
57	K	98.2	Very high	98.3	Very high	94 Å²	94	45.8 Å²	45.8	41%	0.409	24%	0.236	S	C	.	.	S	Bend	trans	-123.2	152.8	174.2	-58.7	-176.7	-175.3	176.8	0	110.5	F54 A55 E92 A155	F54-K57 PolarHBondContact O-N 3.09Å; F54-K57 VanDerWaalsContact O-N 3.13Å; A55-K57 VanDerWaalsContact C-N 3.26Å; A55-K57 PolarHBondContact O-N 2.81Å; K57-E92 HydrophobicContact CB-CG 4.38Å; K57-E92 HydrophobicContact CD-CG 3.59Å; K57-E92 IonicContact NZ-OE1 3.14Å; K57-E92 PolarHBondContact NZ-OE1 3.42Å; K57-A155 WeakPolarHBondContact O-CA 3.46Å
58	Y	98.7	Very high	98.2	Very high	12 Å²	12	47.2 Å²	47.2	5%	0.047	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	145.5	164.9	-94.1	-105.3	0	0	0	109.5	G90 V91 E92 I152 I153 A155 F183 Q184 D187	Y58-G90 PolarHBondContact N-O 2.85Å; Y58-V91 HydrophobicContact CG-CG2 4.45Å; Y58-V91 CarbonylContact O-C 3.59Å; Y58-V91 WeakPolarHBondContact O-CA 3.24Å; Y58-E92 PolarHBondContact O-N 3.29Å; Y58-I152 HydrophobicContact CD1-CG2 3.98Å; Y58-I152 HydrophobicContact CE1-CG2 4.2Å; Y58-I153 CarbonylContact C-O 3.52Å; Y58-I153 WeakPolarHBondContact CA-O 3.28Å; Y58-A155 HydrophobicContact CD2-CB 4.47Å; Y58-F183 HydrophobicContact CE1-CB 3.98Å; Y58-F183 WeakPolarHBondContact OH-CB 3.35Å; Y58-Q184 HydrophobicContact CD2-CG 4.03Å; Y58-Q184 HydrophobicContact CE1-CG 4.49Å; Y58-Q184 HydrophobicContact CE2-CG 3.79Å; Y58-Q184 HydrophobicContact CG-CG 4.48Å; Y58-D187 PolarHBondContact OH-OD2 2.88Å
59	L	98.8	Very high	98	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.4	178.3	171.4	64.5	0	0	0	110.2	F36 L51 F54 L61 E92 V94 I153	F36-L59 HydrophobicContact CE1-CD2 4.43Å; F36-L59 HydrophobicContact CZ-CD2 4.35Å; L51-L59 HydrophobicContact CD1-CD2 3.84Å; F54-L59 HydrophobicContact CB-CB 4.38Å; F54-L59 HydrophobicContact CB-CD2 4.11Å; F54-L59 HydrophobicContact CD1-CD1 4.02Å; F54-L59 HydrophobicContact CD2-CD2 4Å; F54-L59 HydrophobicContact CE1-CD1 4.32Å; F54-L59 HydrophobicContact CG-CD1 4.16Å; F54-L59 HydrophobicContact CG-CD2 4Å; L59-L61 HydrophobicContact CD2-CB 4.46Å; L59-L61 HydrophobicContact CG-CB 4.38Å; L59-E92 CarbonylContact C-O 3.44Å; L59-E92 WeakPolarHBondContact CA-O 3.37Å; L59-E92 HydrophobicContact CD1-CB 4.18Å; L59-V94 HydrophobicContact CD1-CB 4.29Å; L59-V94 HydrophobicContact CD1-CG2 3.83Å; L59-I153 HydrophobicContact CB-CB 4.26Å; L59-I153 HydrophobicContact CD2-CD1 4.01Å; L59-I153 HydrophobicContact CG-CD1 4.41Å; L59-I153 PolarHBondContact N-O 2.67Å; L59-I153 PolarHBondContact O-N 2.64Å
60	V	98.9	Very high	97.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	104.5	163.2	178.3	0	0	0	0	107.9	F79 F86 V91 E92 V93 V94 L150 F151 V176 V180	V60-F79 HydrophobicContact CG1-CE1 4.25Å; V60-F86 HydrophobicContact CG2-CD1 4.32Å; V60-F86 HydrophobicContact CG2-CE1 4.14Å; V60-V91 HydrophobicContact CG2-CG1 3.88Å; V60-E92 PolarHBondContact N-O 3.02Å; V60-V93 HydrophobicContact CB-CG2 4.26Å; V60-V93 CarbonylContact O-C 3.51Å; V60-V93 WeakPolarHBondContact O-CA 3.34Å; V60-V94 PolarHBondContact O-N 2.86Å; V60-L150 HydrophobicContact CG1-CD1 3.92Å; V60-L150 HydrophobicContact CG1-CD2 4.33Å; V60-L150 HydrophobicContact CG1-CG 4.05Å; V60-F151 WeakPolarHBondContact CA-O 3.49Å; V60-V176 HydrophobicContact CG1-CG1 3.97Å; V60-V176 HydrophobicContact CG2-CG1 3.81Å; V60-V180 HydrophobicContact CG2-CG2 4.07Å
61	L	98.9	Very high	96.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.1	173.9	-174.4	73.3	0	0	0	108.5	F36 L59 F63 V94 V96 Y136 L150 F151 I153	F36-L61 HydrophobicContact CD1-CD2 4.22Å; F36-L61 HydrophobicContact CE1-CD1 4.06Å; F36-L61 HydrophobicContact CE1-CD2 3.85Å; F36-L61 HydrophobicContact CZ-CD1 4.1Å; L59-L61 HydrophobicContact CD2-CB 4.46Å; L59-L61 HydrophobicContact CG-CB 4.38Å; L61-F63 HydrophobicContact CD2-CE2 3.96Å; L61-F63 HydrophobicContact CD2-CZ 4.14Å; L61-F63 HydrophobicContact CG-CE2 4.18Å; L61-V94 HydrophobicContact CD1-CB 3.75Å; L61-V94 HydrophobicContact CD1-CG1 3.73Å; L61-V96 HydrophobicContact CD1-CG2 3.52Å; L61-V96 HydrophobicContact CG-CG2 4.14Å; L61-Y136 HydrophobicContact CD2-CD1 4.09Å; L61-Y136 HydrophobicContact CD2-CE1 3.47Å; L61-Y136 VanDerWaalsContact CD2-CE1 3.47Å; L61-Y136 HydrophobicContact CD2-CE2 3.97Å; L61-L150 WeakPolarHBondContact O-CA 3.48Å; L61-F151 HydrophobicContact CB-CB 4.5Å; L61-F151 PolarHBondContact N-O 3.19Å; L61-F151 PolarHBondContact O-N 3.5Å; L61-I153 HydrophobicContact CB-CD1 4.21Å
62	F	98.7	Very high	96.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.8	-178.7	77.1	-83.4	0	0	0	113.2	L76 F79 V93 V94 G95 V96 Y122 G149 L150	F62-L76 HydrophobicContact CE2-CD2 3.84Å; F62-L76 HydrophobicContact CZ-CD2 3.74Å; F62-F79 HydrophobicContact CE1-CD2 4.14Å; F62-F79 HydrophobicContact CE1-CG 4.35Å; F62-F79 HydrophobicContact CE2-CD2 4.39Å; F62-F79 AromaticContact CZ-CD2 3.97Å; F62-F79 HydrophobicContact CZ-CD2 3.97Å; F62-F79 HydrophobicContact CZ-CE2 4.49Å; F62-F79 HydrophobicContact CZ-CG 4.46Å; F62-V93 HydrophobicContact CD1-CG1 4.04Å; F62-V93 HydrophobicContact CE1-CG1 3.63Å; F62-V94 VanDerWaalsContact CD1-O 3.26Å; F62-V94 WeakPolarHBondContact CD1-O 3.37Å; F62-V94 PolarHBondContact N-O 3.43Å; F62-G95 CarbonylContact O-C 3.46Å; F62-G95 WeakPolarHBondContact O-CA 3.01Å; F62-V96 PolarHBondContact O-N 2.83Å; F62-Y122 AromaticContact CE1-CE2 3.89Å; F62-Y122 HydrophobicContact CE1-CE2 3.89Å; F62-Y122 AromaticContact CZ-CE2 3.95Å; F62-Y122 HydrophobicContact CZ-CE2 3.95Å; F62-Y122 AromaticContact CZ-CZ 3.96Å; F62-Y122 WeakPolarHBondContact CZ-OH 3.19Å; F62-G149 CarbonylContact C-O 3.59Å; F62-G149 WeakPolarHBondContact CA-O 3.44Å; F62-L150 HydrophobicContact CB-CB 3.98Å; F62-L150 HydrophobicContact CB-CD1 3.99Å; F62-L150 HydrophobicContact CB-CG 3.96Å
63	F	98.8	Very high	96.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	145.7	179.3	-61.6	-101.8	0	0	0	110	L61 V96 V132 T133 Y136 V138 A146 G149 F151 R171	L61-F63 HydrophobicContact CD2-CE2 3.96Å; L61-F63 HydrophobicContact CD2-CZ 4.14Å; L61-F63 HydrophobicContact CG-CE2 4.18Å; F63-V96 CarbonylContact C-O 3.6Å; F63-V96 WeakPolarHBondContact CA-O 3.43Å; F63-V96 HydrophobicContact CD1-CB 3.68Å; F63-V96 HydrophobicContact CD1-CG1 3.78Å; F63-V96 HydrophobicContact CD1-CG2 4.46Å; F63-V96 HydrophobicContact CE1-CB 3.8Å; F63-V96 HydrophobicContact CE1-CG1 3.59Å; F63-V96 HydrophobicContact CE1-CG2 4.24Å; F63-V96 HydrophobicContact CG-CB 4.2Å; F63-V96 HydrophobicContact CZ-CB 4.41Å; F63-V96 HydrophobicContact CZ-CG1 4.44Å; F63-V96 HydrophobicContact CZ-CG2 4.39Å; F63-V132 HydrophobicContact CE1-CG1 4.11Å; F63-V132 HydrophobicContact CZ-CG1 3.98Å; F63-T133 HydrophobicContact CD1-CG2 4.17Å; F63-T133 HydrophobicContact CE1-CG2 4.49Å; F63-Y136 AromaticContact CE2-CD1 3.98Å; F63-Y136 HydrophobicContact CE2-CD1 3.98Å; F63-Y136 HydrophobicContact CE2-CD2 4.42Å; F63-Y136 AromaticContact CE2-CG 3.78Å; F63-Y136 HydrophobicContact CE2-CG 3.78Å; F63-Y136 HydrophobicContact CZ-CD1 4.27Å; F63-Y136 AromaticContact CZ-CD2 3.89Å; F63-Y136 HydrophobicContact CZ-CD2 3.89Å; F63-Y136 AromaticContact CZ-CG 3.67Å; F63-Y136 HydrophobicContact CZ-CG 3.67Å; F63-V138 HydrophobicContact CB-CG2 4.18Å; F63-V138 HydrophobicContact CD1-CG2 3.97Å; F63-V138 HydrophobicContact CD2-CG2 3.85Å; F63-V138 HydrophobicContact CE1-CG2 4.33Å; F63-V138 HydrophobicContact CE2-CG2 4.22Å; F63-V138 HydrophobicContact CG-CG2 3.72Å; F63-V138 HydrophobicContact CZ-CG2 4.45Å; F63-A146 HydrophobicContact CB-CB 3.81Å; F63-A146 HydrophobicContact CD1-CB 4.31Å; F63-A146 HydrophobicContact CG-CB 4.5Å; F63-G149 PolarHBondContact N-O 3.49Å; F63-F151 HydrophobicContact CD2-CD2 4.05Å; F63-F151 AromaticContact CD2-CE2 3.71Å; F63-F151 HydrophobicContact CD2-CE2 3.71Å; F63-F151 AromaticContact CE2-CD2 3.82Å; F63-F151 HydrophobicContact CE2-CD2 3.82Å; F63-F151 AromaticContact CE2-CE2 3.61Å; F63-F151 HydrophobicContact CE2-CE2 3.61Å; F63-R171 VanDerWaalsContact O-CZ 3.3Å; F63-R171 PolarHBondContact O-NH1 3.09Å; F63-R171 PolarHBondContact O-NH2 3.09Å
64	Y	98.6	Very high	96.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.221	C	C	.	.			trans	-134.8	154.2	170.4	65.2	-78.9	0	0	0	109.9	D67 C72 L76 V96 S97 H104 W107 L124	Y64-D67 WeakPolarHBondContact CE2-OD1 3.31Å; Y64-D67 PolarHBondContact OH-OD1 3.39Å; Y64-C72 HydrophobicContact CD2-CB 3.79Å; Y64-C72 HydrophobicContact CG-CB 4.46Å; Y64-L76 HydrophobicContact CD1-CD1 4.49Å; Y64-L76 HydrophobicContact CD1-CD2 4.03Å; Y64-L76 HydrophobicContact CD2-CD1 4.31Å; Y64-L76 HydrophobicContact CE1-CD1 4.26Å; Y64-L76 HydrophobicContact CE1-CD2 3.93Å; Y64-L76 HydrophobicContact CE2-CD1 4.02Å; Y64-V96 WeakPolarHBondContact CD1-O 3.35Å; Y64-V96 VanDerWaalsContact CE1-C 3.48Å; Y64-V96 WeakPolarHBondContact CE1-O 3.14Å; Y64-V96 PolarHBondContact N-O 3.47Å; Y64-S97 VanDerWaalsContact CZ-CB 3.41Å; Y64-S97 VanDerWaalsContact O-CB 3.23Å; Y64-S97 WeakPolarHBondContact O-CB 3.48Å; Y64-S97 PolarHBondContact OH-OG 3.18Å; Y64-H104 PolarHBondContact OH-CE1 2.77Å; Y64-H104 PolarHBondContact OH-ND1 3.05Å; Y64-W107 HydrophobicContact CD2-CZ3 4.49Å; Y64-W107 HydrophobicContact CE2-CH2 4.46Å; Y64-W107 AromaticContact CE2-CZ3 3.75Å; Y64-W107 HydrophobicContact CE2-CZ3 3.75Å; Y64-L124 HydrophobicContact CE1-CD1 3.54Å; Y64-L124 WeakPolarHBondContact OH-CD1 3.45Å; Y64-L124 WeakPolarHBondContact OH-CD2 3.29Å
65	P	97.7	Very high	96.1	Very high	11 Å²	11	38.5 Å²	38.5	7%	0.071	22%	0.218	C	C	.	.	S	Bend	trans	-58.9	-60.2	-171.7	-27.6	32.2	0	0	0	115.5	C72 V145 A146 R148 L167	P65-C72 VanDerWaalsContact CD-SG 3.59Å; P65-V145 HydrophobicContact CB-CB 4.47Å; P65-V145 HydrophobicContact CB-CG2 4.44Å; P65-A146 VanDerWaalsContact CA-O 3.28Å; P65-A146 WeakPolarHBondContact CA-O 3.25Å; P65-A146 WeakPolarHBondContact CG-O 3.27Å; P65-R148 HydrophobicContact CG-CG 4.34Å; P65-L167 HydrophobicContact CB-CD2 4.15Å; P65-L167 HydrophobicContact CG-CD2 3.54Å
66	L	97.7	Very high	96.1	Very high	63 Å²	63	35.1 Å²	35.1	33%	0.33	19%	0.19	S	C	.	.			trans	-156.4	145.7	-169.5	-76.5	174.4	0	0	0	112	T69 D99 V145	L66-T69 HydrophobicContact CB-CG2 3.67Å; L66-T69 HydrophobicContact CD1-CG2 4.49Å; L66-T69 PolarHBondContact O-OG1 3.41Å; L66-D99 WeakPolarHBondContact CA-OD2 3.48Å; L66-V145 HydrophobicContact CD1-CG1 3.84Å; L66-V145 HydrophobicContact CD2-CG1 3.83Å; L66-V145 HydrophobicContact CG-CB 4.48Å; L66-V145 HydrophobicContact CG-CG1 3.65Å
67	D	98.4	Very high	96.1	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.053	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	154.9	162.9	-71	-9.6	0	0	0	111.8	Y64 T69 D99 S103 H104 W107	Y64-D67 WeakPolarHBondContact CE2-OD1 3.31Å; Y64-D67 PolarHBondContact OH-OD1 3.39Å; D67-T69 VanDerWaalsContact C-N 3.28Å; D67-T69 PolarHBondContact O-N 2.96Å; D67-D99 HydrophobicContact CB-CB 4.42Å; D67-D99 PolarHBondContact N-OD2 2.84Å; D67-D99 WeakPolarHBondContact OD2-CB 3.13Å; D67-S103 VanDerWaalsContact OD2-C 3.28Å; D67-S103 VanDerWaalsContact OD2-CB 3.29Å; D67-S103 WeakPolarHBondContact OD2-CB 3.42Å; D67-S103 PolarHBondContact OD2-OG 3.18Å; D67-H104 IonicContact OD1-CE1 2.77Å; D67-H104 IonicContact OD1-ND1 3.48Å; D67-H104 PolarHBondContact OD1-ND1 3.44Å; D67-H104 IonicContact OD2-CE1 3.36Å; D67-H104 IonicContact OD2-CG 3.13Å; D67-H104 PolarHBondContact OD2-N 3.41Å; D67-H104 IonicContact OD2-ND1 3.02Å; D67-H104 PolarHBondContact OD2-ND1 2.67Å; D67-W107 HydrophobicContact CB-CD2 4.12Å; D67-W107 HydrophobicContact CB-CE3 3.74Å; D67-W107 HydrophobicContact CB-CZ3 4.15Å; D67-W107 WeakPolarHBondContact OD1-CZ3 3.48Å
68	F	97.3	Very high	96.1	Very high	113 Å²	113	30.3 Å²	30.3	50%	0.496	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	34.6	175.7	-56.6	-84.4	0	0	0	114.8	A106 W107	F68-A106 HydrophobicContact CZ-CB 4.21Å; F68-W107 AromaticContact CD1-CD1 3.35Å; F68-W107 HydrophobicContact CD1-CG 4.06Å; F68-W107 AromaticContact CD1-NE1 3.81Å; F68-W107 HydrophobicContact CD2-CB 4.38Å; F68-W107 HydrophobicContact CD2-CG 4.26Å; F68-W107 HydrophobicContact CE1-CB 3.96Å; F68-W107 AromaticContact CE1-CD1 3.31Å; F68-W107 AromaticContact CE1-CG 3.87Å; F68-W107 HydrophobicContact CE1-CG 3.87Å; F68-W107 HydrophobicContact CE2-CB 3.72Å; F68-W107 HydrophobicContact CE2-CG 4.06Å; F68-W107 AromaticContact CG-CD1 3.88Å; F68-W107 HydrophobicContact CG-CG 4.25Å; F68-W107 HydrophobicContact CZ-CB 3.49Å; F68-W107 VanDerWaalsContact CZ-CB 3.49Å; F68-W107 AromaticContact CZ-CD1 3.8Å; F68-W107 AromaticContact CZ-CG 3.86Å; F68-W107 HydrophobicContact CZ-CG 3.86Å; F68-W107 VanDerWaalsContact N-CE2 3.25Å
69	T	93.5	Very high	96.1	Very high	41 Å²	41	29.8 Å²	29.8	25%	0.252	16%	0.158	S	C	.	.	S	Bend	trans	-116.5	-166.4	175.3	62.5	0	0	0	0	112.5	L66 D67 C72 P73	L66-T69 HydrophobicContact CB-CG2 3.67Å; L66-T69 HydrophobicContact CD1-CG2 4.49Å; L66-T69 PolarHBondContact O-OG1 3.41Å; D67-T69 VanDerWaalsContact C-N 3.28Å; D67-T69 PolarHBondContact O-N 2.96Å; T69-C72 PolarHBondContact OG1-SG 3.28Å; T69-P73 WeakPolarHBondContact O-CD 3.49Å; T69-P73 WeakPolarHBondContact O-CG 3.45Å
70	F	88.1	Confident	96.1	Very high	188 Å²	188	29.8 Å²	29.8	83%	0.825	16%	0.158	S	C	*	.	S	Bend	trans	-90.4	-59.2	-163	-45.4	-67.7	0	0	0	114.7	P73	F70-P73 WeakPolarHBondContact O-CD 3.37Å; F70-P73 WeakPolarHBondContact O-CG 3.2Å
71	V	85.7	Confident	96.1	Very high	39 Å²	39	33.8 Å²	33.8	24%	0.236	18%	0.179	C	C	.	.	S	Bend	trans	-85.5	-27.7	-175.7	175.5	0	0	0	0	111.8	T74 E75	V71-T74 PolarHBondContact O-N 3.21Å; V71-T74 PolarHBondContact O-OG1 3.25Å; V71-E75 HydrophobicContact CG1-CG 4.41Å; V71-E75 PolarHBondContact O-N 3.05Å
72	C	87.6	Confident	96.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.5	-48.5	-179.5	-55.1	0	0	0	0	114.2	Y64 P65 T69 T74 E75 L76 W107	Y64-C72 HydrophobicContact CD2-CB 3.79Å; Y64-C72 HydrophobicContact CG-CB 4.46Å; P65-C72 VanDerWaalsContact CD-SG 3.59Å; T69-C72 PolarHBondContact OG1-SG 3.28Å; C72-T74 PolarHBondContact O-N 3.43Å; C72-E75 PolarHBondContact O-N 3.11Å; C72-L76 WeakPolarHBondContact O-CG 3.36Å; C72-L76 PolarHBondContact O-N 3.15Å; C72-W107 HydrophobicContact CB-CH2 3.81Å
73	P	94.4	Very high	96.1	Very high	13 Å²	13	36.8 Å²	36.8	8%	0.084	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-30.4	-179.8	23.8	-31.7	0	0	0	112.2	T69 F70 T77 W107 L117	T69-P73 WeakPolarHBondContact O-CD 3.49Å; T69-P73 WeakPolarHBondContact O-CG 3.45Å; F70-P73 WeakPolarHBondContact O-CD 3.37Å; F70-P73 WeakPolarHBondContact O-CG 3.2Å; P73-T77 WeakPolarHBondContact O-CB 3.39Å; P73-T77 VanDerWaalsContact O-CG2 3.31Å; P73-T77 WeakPolarHBondContact O-CG2 3.37Å; P73-T77 PolarHBondContact O-N 3.25Å; P73-T77 PolarHBondContact O-OG1 3.07Å; P73-W107 HydrophobicContact CB-CH2 4.09Å; P73-W107 HydrophobicContact CB-CZ2 3.59Å; P73-W107 HydrophobicContact CG-CH2 4.42Å; P73-W107 HydrophobicContact CG-CZ2 3.85Å; P73-L117 HydrophobicContact CB-CD2 3.81Å
74	T	95.9	Very high	96	Very high	82 Å²	82	40.4 Å²	40.4	50%	0.503	21%	0.21	S	C	.	.	H	α-helix	trans	-69	-38.4	179.3	70.2	0	0	0	0	111.5	V71 C72 T77 A78	V71-T74 PolarHBondContact O-N 3.21Å; V71-T74 PolarHBondContact O-OG1 3.25Å; C72-T74 PolarHBondContact O-N 3.43Å; T74-T77 PolarHBondContact O-OG1 3.26Å; T74-A78 WeakPolarHBondContact O-CB 3.43Å; T74-A78 PolarHBondContact O-N 2.93Å
75	E	97	Very high	96	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.037	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-48.3	174.8	-63.2	-173.4	118.6	0	0	111.1	V71 C72 T77 A78 F79 R148 G170 R171	V71-E75 HydrophobicContact CG1-CG 4.41Å; V71-E75 PolarHBondContact O-N 3.05Å; C72-E75 PolarHBondContact O-N 3.11Å; E75-T77 PolarHBondContact O-N 2.76Å; E75-A78 PolarHBondContact O-N 3.47Å; E75-F79 WeakPolarHBondContact O-CD2 3.23Å; E75-F79 PolarHBondContact O-N 3.46Å; E75-F79 VanDerWaalsContact O-N 3.1Å; E75-R148 IonicContact OE2-CZ 3.96Å; E75-R148 IonicContact OE2-NH1 2.75Å; E75-R148 PolarHBondContact OE2-NH1 2.76Å; E75-G170 WeakPolarHBondContact OE1-CA 3.48Å; E75-R171 VanDerWaalsContact CD-NH2 3.33Å; E75-R171 WeakPolarHBondContact OE1-CB 3.39Å; E75-R171 IonicContact OE1-CZ 3.91Å; E75-R171 PolarHBondContact OE1-N 3.2Å; E75-R171 IonicContact OE1-NE 3.33Å; E75-R171 PolarHBondContact OE1-NE 2.87Å; E75-R171 IonicContact OE1-NH2 2.88Å; E75-R171 PolarHBondContact OE1-NH2 3.42Å; E75-R171 IonicContact OE2-CZ 3.78Å; E75-R171 IonicContact OE2-NE 3.73Å; E75-R171 IonicContact OE2-NH2 3.05Å; E75-R171 PolarHBondContact OE2-NH2 2.84Å
76	L	98.1	Very high	96.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-47.3	-177.7	-71.5	166.9	0	0	0	111.5	F62 Y64 C72 S80 W107 L117 L120 Y122 L124	F62-L76 HydrophobicContact CE2-CD2 3.84Å; F62-L76 HydrophobicContact CZ-CD2 3.74Å; Y64-L76 HydrophobicContact CD1-CD1 4.49Å; Y64-L76 HydrophobicContact CD1-CD2 4.03Å; Y64-L76 HydrophobicContact CD2-CD1 4.31Å; Y64-L76 HydrophobicContact CE1-CD1 4.26Å; Y64-L76 HydrophobicContact CE1-CD2 3.93Å; Y64-L76 HydrophobicContact CE2-CD1 4.02Å; C72-L76 WeakPolarHBondContact O-CG 3.36Å; C72-L76 PolarHBondContact O-N 3.15Å; L76-S80 WeakPolarHBondContact O-CB 3.16Å; L76-S80 PolarHBondContact O-N 3.38Å; L76-S80 VanDerWaalsContact O-N 3.1Å; L76-W107 HydrophobicContact CD1-CE3 4.16Å; L76-W107 HydrophobicContact CD1-CH2 3.71Å; L76-W107 HydrophobicContact CD1-CZ3 3.27Å; L76-L117 HydrophobicContact CB-CD2 3.98Å; L76-L117 HydrophobicContact CD1-CD1 4.03Å; L76-L117 HydrophobicContact CD1-CD2 3.88Å; L76-L120 HydrophobicContact CB-CD1 4.27Å; L76-Y122 VanDerWaalsContact C-OH 3.26Å; L76-Y122 WeakPolarHBondContact CA-OH 3.35Å; L76-Y122 HydrophobicContact CD2-CE2 4.48Å; L76-Y122 WeakPolarHBondContact CD2-OH 3.39Å; L76-Y122 PolarHBondContact O-OH 3.07Å; L76-L124 HydrophobicContact CD2-CD1 3.73Å
77	T	98	Very high	96.1	Very high	20 Å²	20	44.5 Å²	44.5	12%	0.123	23%	0.225	C	C	.	.	H	α-helix	trans	-69.4	-37	178.5	54.9	0	0	0	0	112.3	P73 T74 E75 F79 S80 D81 L117	P73-T77 WeakPolarHBondContact O-CB 3.39Å; P73-T77 VanDerWaalsContact O-CG2 3.31Å; P73-T77 WeakPolarHBondContact O-CG2 3.37Å; P73-T77 PolarHBondContact O-N 3.25Å; P73-T77 PolarHBondContact O-OG1 3.07Å; T74-T77 PolarHBondContact O-OG1 3.26Å; E75-T77 PolarHBondContact O-N 2.76Å; T77-F79 PolarHBondContact O-N 3.04Å; T77-S80 PolarHBondContact O-N 3.07Å; T77-D81 WeakPolarHBondContact O-CB 3.2Å; T77-D81 PolarHBondContact O-N 3.37Å; T77-L117 HydrophobicContact CG2-CB 4.43Å; T77-L117 HydrophobicContact CG2-CD2 4.22Å
78	A	98.3	Very high	96.1	Very high	35 Å²	35	50.7 Å²	50.7	29%	0.289	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-43.7	177.2	0	0	0	0	0	113	T74 E75 S80 R82 V173	T74-A78 WeakPolarHBondContact O-CB 3.43Å; T74-A78 PolarHBondContact O-N 2.93Å; E75-A78 PolarHBondContact O-N 3.47Å; A78-S80 VanDerWaalsContact C-N 3.31Å; A78-R82 PolarHBondContact O-N 2.83Å; A78-V173 HydrophobicContact CB-CG2 3.83Å
79	F	98.6	Very high	96	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-38.2	171.3	-83.3	-78.7	0	0	0	111.8	V60 F62 E75 T77 R82 I83 F86 V93 Y122 L150 V173 V176	V60-F79 HydrophobicContact CG1-CE1 4.25Å; F62-F79 HydrophobicContact CE1-CD2 4.14Å; F62-F79 HydrophobicContact CE1-CG 4.35Å; F62-F79 HydrophobicContact CE2-CD2 4.39Å; F62-F79 AromaticContact CZ-CD2 3.97Å; F62-F79 HydrophobicContact CZ-CD2 3.97Å; F62-F79 HydrophobicContact CZ-CE2 4.49Å; F62-F79 HydrophobicContact CZ-CG 4.46Å; E75-F79 WeakPolarHBondContact O-CD2 3.23Å; E75-F79 PolarHBondContact O-N 3.46Å; E75-F79 VanDerWaalsContact O-N 3.1Å; T77-F79 PolarHBondContact O-N 3.04Å; F79-R82 CarbonylContact O-C 3.6Å; F79-R82 PolarHBondContact O-N 2.84Å; F79-I83 WeakPolarHBondContact O-CA 3.41Å; F79-I83 PolarHBondContact O-N 3.42Å; F79-F86 HydrophobicContact CD1-CE1 4.45Å; F79-F86 AromaticContact CD1-CE2 3.75Å; F79-F86 HydrophobicContact CD1-CE2 3.75Å; F79-F86 AromaticContact CD1-CZ 3.64Å; F79-F86 HydrophobicContact CD1-CZ 3.64Å; F79-F86 HydrophobicContact CE1-CE1 4.15Å; F79-F86 HydrophobicContact CE1-CE2 4.12Å; F79-F86 AromaticContact CE1-CZ 3.52Å; F79-F86 HydrophobicContact CE1-CZ 3.52Å; F79-V93 HydrophobicContact CD1-CG1 4.15Å; F79-V93 HydrophobicContact CG-CG1 4.45Å; F79-Y122 HydrophobicContact CB-CE1 3.75Å; F79-L150 HydrophobicContact CE2-CD1 4.49Å; F79-L150 HydrophobicContact CZ-CD1 3.85Å; F79-V173 HydrophobicContact CD1-CG1 4.39Å; F79-V173 HydrophobicContact CD1-CG2 4.36Å; F79-V173 HydrophobicContact CD2-CG2 4.12Å; F79-V173 HydrophobicContact CE1-CG1 4.44Å; F79-V173 HydrophobicContact CE1-CG2 4.4Å; F79-V173 HydrophobicContact CE2-CG2 4.15Å; F79-V173 HydrophobicContact CG-CG2 4.22Å; F79-V173 HydrophobicContact CZ-CG2 4.29Å; F79-V176 HydrophobicContact CE1-CB 4.41Å; F79-V176 HydrophobicContact CE1-CG1 4.18Å; F79-V176 HydrophobicContact CZ-CB 4.42Å; F79-V176 HydrophobicContact CZ-CG1 4.43Å; F79-V176 HydrophobicContact CZ-CG2 4.12Å
80	S	98.3	Very high	96.2	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.014	26%	0.256	C	S	.	.	H	α-helix	trans	-70.4	-42.3	-175	-175.9	0	0	0	0	111.2	L76 T77 A78 R82 I83 R121	L76-S80 WeakPolarHBondContact O-CB 3.16Å; L76-S80 PolarHBondContact O-N 3.38Å; L76-S80 VanDerWaalsContact O-N 3.1Å; T77-S80 PolarHBondContact O-N 3.07Å; A78-S80 VanDerWaalsContact C-N 3.31Å; S80-R82 PolarHBondContact O-N 2.87Å; S80-I83 PolarHBondContact O-N 2.84Å; S80-R121 VanDerWaalsContact O-CZ 3.26Å; S80-R121 PolarHBondContact O-NE 3.26Å; S80-R121 PolarHBondContact O-NH2 3.28Å; S80-R121 PolarHBondContact OG-N 2.77Å
81	D	98.5	Very high	96.7	Very high	83 Å²	83	39.4 Å²	39.4	44%	0.444	22%	0.217	S	C	.	.	H	α-helix	trans	-64.8	-31.1	178.7	-67.4	-10.6	0	0	0	110.8	T77 R112 R121	T77-D81 WeakPolarHBondContact O-CB 3.2Å; T77-D81 PolarHBondContact O-N 3.37Å; D81-R112 VanDerWaalsContact CG-NH1 3.32Å; D81-R112 IonicContact OD1-CZ 3.76Å; D81-R112 IonicContact OD1-NH1 3.67Å; D81-R112 PolarHBondContact OD1-NH1 2.73Å; D81-R112 IonicContact OD1-NH2 3.67Å; D81-R112 PolarHBondContact OD1-NH2 3.03Å; D81-R112 IonicContact OD2-CZ 2.73Å; D81-R112 IonicContact OD2-NH1 2.86Å; D81-R112 PolarHBondContact OD2-NH1 3.47Å; D81-R112 IonicContact OD2-NH2 3.49Å; D81-R121 PolarHBondContact O-NH2 2.79Å
82	R	98.4	Very high	97.4	Very high	63 Å²	63	39.6 Å²	39.6	24%	0.238	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	13.4	-179.5	-62.5	-179.8	64.1	-179.5	3.1	114.8	A78 F79 S80 D84 E85 V173 D174	A78-R82 PolarHBondContact O-N 2.83Å; F79-R82 CarbonylContact O-C 3.6Å; F79-R82 PolarHBondContact O-N 2.84Å; S80-R82 PolarHBondContact O-N 2.87Å; R82-D84 PolarHBondContact O-N 3.31Å; R82-E85 WeakPolarHBondContact CB-OE1 3.14Å; R82-E85 WeakPolarHBondContact CG-OE1 3.48Å; R82-E85 IonicContact CZ-OE1 3.35Å; R82-E85 IonicContact CZ-OE2 3.44Å; R82-E85 IonicContact NE-OE1 3.03Å; R82-E85 PolarHBondContact NE-OE1 3.27Å; R82-E85 IonicContact NE-OE2 3.55Å; R82-E85 IonicContact NH2-OE1 2.77Å; R82-E85 PolarHBondContact NH2-OE1 3.45Å; R82-E85 IonicContact NH2-OE2 2.7Å; R82-E85 PolarHBondContact NH2-OE2 3.03Å; R82-E85 WeakPolarHBondContact O-CB 3.31Å; R82-E85 PolarHBondContact O-N 3.08Å; R82-V173 HydrophobicContact CB-CG1 4.39Å; R82-D174 IonicContact CZ-OD1 3.41Å; R82-D174 VanDerWaalsContact CZ-OD1 3.24Å; R82-D174 VanDerWaalsContact NH1-CG 3.27Å; R82-D174 IonicContact NH1-OD1 2.79Å; R82-D174 PolarHBondContact NH1-OD1 3.4Å; R82-D174 IonicContact NH1-OD2 2.73Å; R82-D174 PolarHBondContact NH1-OD2 3.32Å; R82-D174 IonicContact NH2-OD1 2.67Å; R82-D174 PolarHBondContact NH2-OD1 3.1Å
83	I	98.5	Very high	97.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-58.5	-28.6	-172.9	-159.8	58.7	0	0	0	113.1	F79 S80 E85 F86 K87 V93 R121 Y122	F79-I83 WeakPolarHBondContact O-CA 3.41Å; F79-I83 PolarHBondContact O-N 3.42Å; S80-I83 PolarHBondContact O-N 2.84Å; I83-E85 VanDerWaalsContact C-N 3.26Å; I83-E85 PolarHBondContact O-N 3.28Å; I83-F86 WeakPolarHBondContact O-CB 3.49Å; I83-F86 PolarHBondContact O-N 2.98Å; I83-F86 VanDerWaalsContact O-N 3.11Å; I83-K87 HydrophobicContact CG1-CD 4.43Å; I83-K87 HydrophobicContact CG1-CG 4.47Å; I83-K87 HydrophobicContact CG2-CD 4.48Å; I83-K87 WeakPolarHBondContact O-CG 3.45Å; I83-K87 PolarHBondContact O-N 3.16Å; I83-V93 HydrophobicContact CD1-CB 3.67Å; I83-V93 HydrophobicContact CD1-CG2 3.52Å; I83-R121 HydrophobicContact CB-CB 4.4Å; I83-R121 HydrophobicContact CG2-CB 3.83Å; I83-Y122 HydrophobicContact CD1-CD1 3.82Å; I83-Y122 HydrophobicContact CD1-CG 4.25Å; I83-Y122 HydrophobicContact CG1-CD1 4.38Å
84	D	98.6	Very high	98.1	Very high	75 Å²	75	39 Å²	39	40%	0.401	21%	0.211	S	C	.	.	H	α-helix	trans	-67	-30.1	-179.1	-57.6	-44.5	0	0	0	111.4	R82 F86 K87 N88 R121	R82-D84 PolarHBondContact O-N 3.31Å; D84-F86 VanDerWaalsContact C-N 3.3Å; D84-F86 PolarHBondContact O-N 3.2Å; D84-K87 PolarHBondContact O-N 3.08Å; D84-N88 VanDerWaalsContact O-CB 3.27Å; D84-N88 WeakPolarHBondContact O-CB 3.49Å; D84-N88 PolarHBondContact O-N 3.3Å; D84-N88 PolarHBondContact O-ND2 2.77Å; D84-N88 VanDerWaalsContact O-ND2 3.11Å; D84-R121 VanDerWaalsContact CG-NH1 3.28Å; D84-R121 IonicContact OD1-CZ 2.77Å; D84-R121 IonicContact OD1-NH1 2.79Å; D84-R121 PolarHBondContact OD1-NH1 2.9Å; D84-R121 VanDerWaalsContact OD1-NH1 3.13Å; D84-R121 IonicContact OD2-CZ 3.74Å; D84-R121 IonicContact OD2-NH1 3.66Å; D84-R121 PolarHBondContact OD2-NH1 3.43Å; D84-R121 IonicContact OD2-NH2 3.37Å; D84-R121 PolarHBondContact OD2-NH2 2.85Å
85	E	98.5	Very high	98.2	Very high	64 Å²	64	35.1 Å²	35.1	30%	0.299	19%	0.188	S	C	.	.	H	α-helix	trans	-64.1	-36.4	172.7	-67.9	176.9	-109.7	0	0	111.7	R82 I83 E89 L177	R82-E85 WeakPolarHBondContact CB-OE1 3.14Å; R82-E85 WeakPolarHBondContact CG-OE1 3.48Å; R82-E85 IonicContact CZ-OE1 3.35Å; R82-E85 IonicContact CZ-OE2 3.44Å; R82-E85 IonicContact NE-OE1 3.03Å; R82-E85 PolarHBondContact NE-OE1 3.27Å; R82-E85 IonicContact NE-OE2 3.55Å; R82-E85 IonicContact NH2-OE1 2.77Å; R82-E85 PolarHBondContact NH2-OE1 3.45Å; R82-E85 IonicContact NH2-OE2 2.7Å; R82-E85 PolarHBondContact NH2-OE2 3.03Å; R82-E85 WeakPolarHBondContact O-CB 3.31Å; R82-E85 PolarHBondContact O-N 3.08Å; I83-E85 VanDerWaalsContact C-N 3.26Å; I83-E85 PolarHBondContact O-N 3.28Å; E85-E89 VanDerWaalsContact O-CG 3.25Å; E85-E89 WeakPolarHBondContact O-CG 3.18Å; E85-L177 HydrophobicContact CB-CD1 4.11Å; E85-L177 HydrophobicContact CB-CD2 4.03Å; E85-L177 WeakPolarHBondContact OE2-CD1 3.44Å
86	F	98.6	Very high	98.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-73	-46.8	175.4	-67.2	-89.5	0	0	0	111.5	V60 F79 I83 D84 N88 E89 G90 V91 V93 V173 V176 L177	V60-F86 HydrophobicContact CG2-CD1 4.32Å; V60-F86 HydrophobicContact CG2-CE1 4.14Å; F79-F86 HydrophobicContact CD1-CE1 4.45Å; F79-F86 AromaticContact CD1-CE2 3.75Å; F79-F86 HydrophobicContact CD1-CE2 3.75Å; F79-F86 AromaticContact CD1-CZ 3.64Å; F79-F86 HydrophobicContact CD1-CZ 3.64Å; F79-F86 HydrophobicContact CE1-CE1 4.15Å; F79-F86 HydrophobicContact CE1-CE2 4.12Å; F79-F86 AromaticContact CE1-CZ 3.52Å; F79-F86 HydrophobicContact CE1-CZ 3.52Å; I83-F86 WeakPolarHBondContact O-CB 3.49Å; I83-F86 PolarHBondContact O-N 2.98Å; I83-F86 VanDerWaalsContact O-N 3.11Å; D84-F86 VanDerWaalsContact C-N 3.3Å; D84-F86 PolarHBondContact O-N 3.2Å; F86-N88 VanDerWaalsContact C-N 3.3Å; F86-N88 PolarHBondContact O-N 2.83Å; F86-E89 CarbonylContact O-C 3.59Å; F86-E89 PolarHBondContact O-N 2.96Å; F86-G90 PolarHBondContact O-N 3.36Å; F86-V91 CarbonylContact C-O 3.58Å; F86-V91 HydrophobicContact CB-CB 4.23Å; F86-V91 HydrophobicContact CB-CG1 4.47Å; F86-V91 HydrophobicContact CD1-CB 4.42Å; F86-V91 HydrophobicContact CD1-CG1 3.99Å; F86-V91 WeakPolarHBondContact O-CB 3.4Å; F86-V91 PolarHBondContact O-N 3.44Å; F86-V93 HydrophobicContact CB-CG2 4.01Å; F86-V93 HydrophobicContact CD1-CG2 3.89Å; F86-V93 HydrophobicContact CD2-CG2 4.19Å; F86-V93 HydrophobicContact CE1-CG2 4.43Å; F86-V93 HydrophobicContact CG-CG2 3.76Å; F86-V173 HydrophobicContact CE2-CG1 3.78Å; F86-V173 HydrophobicContact CZ-CG1 3.86Å; F86-V176 HydrophobicContact CE1-CG1 3.93Å; F86-V176 HydrophobicContact CZ-CG1 4.32Å; F86-L177 HydrophobicContact CD1-CD2 3.89Å; F86-L177 HydrophobicContact CD2-CD2 4.14Å; F86-L177 HydrophobicContact CE1-CD2 3.74Å; F86-L177 HydrophobicContact CE1-CG 3.94Å; F86-L177 HydrophobicContact CE2-CD1 4.29Å; F86-L177 HydrophobicContact CE2-CD2 4Å; F86-L177 HydrophobicContact CE2-CG 4.03Å; F86-L177 HydrophobicContact CG-CD2 4.09Å; F86-L177 HydrophobicContact CZ-CD1 4.3Å; F86-L177 HydrophobicContact CZ-CD2 3.8Å; F86-L177 HydrophobicContact CZ-CG 3.63Å
87	K	98	Very high	98.4	Very high	96 Å²	96	34.7 Å²	34.7	42%	0.417	19%	0.186	S	C	.	.	H	α-helix	trans	-60.2	-39.3	179.7	-71.4	179.5	177.9	176.2	0	112.2	I83 D84 E89 G90	I83-K87 HydrophobicContact CG1-CD 4.43Å; I83-K87 HydrophobicContact CG1-CG 4.47Å; I83-K87 HydrophobicContact CG2-CD 4.48Å; I83-K87 WeakPolarHBondContact O-CG 3.45Å; I83-K87 PolarHBondContact O-N 3.16Å; D84-K87 PolarHBondContact O-N 3.08Å; K87-E89 PolarHBondContact O-N 3.21Å; K87-G90 PolarHBondContact O-N 3.37Å
88	N	97.9	Very high	98.4	Very high	140 Å²	140	34.2 Å²	34.2	75%	0.749	18%	0.183	S	C	*	.	H	α-helix	trans	-64.1	-25.4	176.6	-72.3	-20.9	0	0	0	113.2	D84 F86 G90	D84-N88 VanDerWaalsContact O-CB 3.27Å; D84-N88 WeakPolarHBondContact O-CB 3.49Å; D84-N88 PolarHBondContact O-N 3.3Å; D84-N88 PolarHBondContact O-ND2 2.77Å; D84-N88 VanDerWaalsContact O-ND2 3.11Å; F86-N88 VanDerWaalsContact C-N 3.3Å; F86-N88 PolarHBondContact O-N 2.83Å; N88-G90 VanDerWaalsContact C-N 3.35Å
89	E	96.6	Very high	98.4	Very high	65 Å²	65	33.8 Å²	33.8	30%	0.304	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	6.7	175.1	-56.2	-73.6	-177.2	0	0	112	E85 F86 K87 V91 R181 Q184	E85-E89 VanDerWaalsContact O-CG 3.25Å; E85-E89 WeakPolarHBondContact O-CG 3.18Å; F86-E89 CarbonylContact O-C 3.59Å; F86-E89 PolarHBondContact O-N 2.96Å; K87-E89 PolarHBondContact O-N 3.21Å; E89-V91 HydrophobicContact CB-CG2 4.09Å; E89-R181 IonicContact OE1-CZ 2.71Å; E89-R181 IonicContact OE1-NE 3.74Å; E89-R181 PolarHBondContact OE1-NE 2.95Å; E89-R181 IonicContact OE1-NH2 3.44Å; E89-R181 PolarHBondContact OE1-NH2 3.45Å; E89-Q184 PolarHBondContact O-NE2 3.15Å
90	G	97.5	Very high	98.4	Very high	39 Å²	39	35.3 Å²	35.3	40%	0.402	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	31.4	-177	0	0	0	0	0	113.8	Y58 F86 K87 N88	Y58-G90 PolarHBondContact N-O 2.85Å; F86-G90 PolarHBondContact O-N 3.36Å; K87-G90 PolarHBondContact O-N 3.37Å; N88-G90 VanDerWaalsContact C-N 3.35Å
91	V	98.7	Very high	98.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.2	-176.5	-179.3	0	0	0	0	110.4	Y58 V60 F86 E89 V180	Y58-V91 HydrophobicContact CG-CG2 4.45Å; Y58-V91 CarbonylContact O-C 3.59Å; Y58-V91 WeakPolarHBondContact O-CA 3.24Å; V60-V91 HydrophobicContact CG2-CG1 3.88Å; F86-V91 CarbonylContact C-O 3.58Å; F86-V91 HydrophobicContact CB-CB 4.23Å; F86-V91 HydrophobicContact CB-CG1 4.47Å; F86-V91 HydrophobicContact CD1-CB 4.42Å; F86-V91 HydrophobicContact CD1-CG1 3.99Å; F86-V91 WeakPolarHBondContact O-CB 3.4Å; F86-V91 PolarHBondContact O-N 3.44Å; E89-V91 HydrophobicContact CB-CG2 4.09Å; V91-V180 HydrophobicContact CB-CG1 4.42Å; V91-V180 HydrophobicContact CG1-CG1 4.49Å; V91-V180 HydrophobicContact CG1-CG2 4.49Å; V91-V180 HydrophobicContact CG2-CG1 3.33Å
92	E	98.7	Very high	98.4	Very high	44 Å²	44	39.6 Å²	39.6	21%	0.206	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	155.9	172.2	-61.6	-67.5	170.8	0	0	110.4	F54 K57 Y58 L59 V60	F54-E92 HydrophobicContact CD1-CB 3.66Å; F54-E92 HydrophobicContact CD1-CG 3.91Å; F54-E92 HydrophobicContact CE1-CB 4.03Å; F54-E92 HydrophobicContact CE1-CG 4.42Å; K57-E92 HydrophobicContact CB-CG 4.38Å; K57-E92 HydrophobicContact CD-CG 3.59Å; K57-E92 IonicContact NZ-OE1 3.14Å; K57-E92 PolarHBondContact NZ-OE1 3.42Å; Y58-E92 PolarHBondContact O-N 3.29Å; L59-E92 CarbonylContact C-O 3.44Å; L59-E92 WeakPolarHBondContact CA-O 3.37Å; L59-E92 HydrophobicContact CD1-CB 4.18Å; V60-E92 PolarHBondContact N-O 3.02Å
93	V	98.8	Very high	98.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.8	179.3	-178.7	0	0	0	0	108.6	V60 F62 F79 I83 F86 Y122 P123	V60-V93 HydrophobicContact CB-CG2 4.26Å; V60-V93 CarbonylContact O-C 3.51Å; V60-V93 WeakPolarHBondContact O-CA 3.34Å; F62-V93 HydrophobicContact CD1-CG1 4.04Å; F62-V93 HydrophobicContact CE1-CG1 3.63Å; F79-V93 HydrophobicContact CD1-CG1 4.15Å; F79-V93 HydrophobicContact CG-CG1 4.45Å; I83-V93 HydrophobicContact CD1-CB 3.67Å; I83-V93 HydrophobicContact CD1-CG2 3.52Å; F86-V93 HydrophobicContact CB-CG2 4.01Å; F86-V93 HydrophobicContact CD1-CG2 3.89Å; F86-V93 HydrophobicContact CD2-CG2 4.19Å; F86-V93 HydrophobicContact CE1-CG2 4.43Å; F86-V93 HydrophobicContact CG-CG2 3.76Å; V93-Y122 HydrophobicContact CB-CG 4.28Å; V93-Y122 HydrophobicContact CG1-CD1 4.43Å; V93-Y122 HydrophobicContact CG1-CD2 4.12Å; V93-Y122 HydrophobicContact CG1-CE2 4.32Å; V93-Y122 HydrophobicContact CG1-CG 4.2Å; V93-Y122 WeakPolarHBondContact O-CB 3.49Å; V93-P123 WeakPolarHBondContact O-CD 3.5Å
94	V	98.9	Very high	98.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	127.1	174.1	175.7	0	0	0	0	109.3	I49 F54 L59 V60 L61 F62 V96 P123 L125	I49-V94 HydrophobicContact CD1-CG1 4.14Å; F54-V94 HydrophobicContact CE1-CG2 3.75Å; F54-V94 HydrophobicContact CE2-CG2 4.04Å; F54-V94 HydrophobicContact CZ-CG2 3.37Å; L59-V94 HydrophobicContact CD1-CB 4.29Å; L59-V94 HydrophobicContact CD1-CG2 3.83Å; V60-V94 PolarHBondContact O-N 2.86Å; L61-V94 HydrophobicContact CD1-CB 3.75Å; L61-V94 HydrophobicContact CD1-CG1 3.73Å; F62-V94 VanDerWaalsContact CD1-O 3.26Å; F62-V94 WeakPolarHBondContact CD1-O 3.37Å; F62-V94 PolarHBondContact N-O 3.43Å; V94-V96 HydrophobicContact CG1-CG2 4.23Å; V94-P123 HydrophobicContact CG1-CB 4.49Å; V94-P123 HydrophobicContact CG2-CB 4.31Å; V94-P123 HydrophobicContact CG2-CG 4.35Å; V94-L125 HydrophobicContact CG1-CB 4.2Å
95	G	98.7	Very high	98.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	145.2	169.9	0	0	0	0	0	110.9	F62 P123 L125	F62-G95 CarbonylContact O-C 3.46Å; F62-G95 WeakPolarHBondContact O-CA 3.01Å; G95-P123 PolarHBondContact N-O 3.34Å; G95-L125 PolarHBondContact O-N 2.58Å
96	V	98.9	Very high	98.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	135.1	180	-166.4	0	0	0	0	110.3	L61 F62 F63 Y64 V94 L125 D127	L61-V96 HydrophobicContact CD1-CG2 3.52Å; L61-V96 HydrophobicContact CG-CG2 4.14Å; F62-V96 PolarHBondContact O-N 2.83Å; F63-V96 CarbonylContact C-O 3.6Å; F63-V96 WeakPolarHBondContact CA-O 3.43Å; F63-V96 HydrophobicContact CD1-CB 3.68Å; F63-V96 HydrophobicContact CD1-CG1 3.78Å; F63-V96 HydrophobicContact CD1-CG2 4.46Å; F63-V96 HydrophobicContact CE1-CB 3.8Å; F63-V96 HydrophobicContact CE1-CG1 3.59Å; F63-V96 HydrophobicContact CE1-CG2 4.24Å; F63-V96 HydrophobicContact CG-CB 4.2Å; F63-V96 HydrophobicContact CZ-CB 4.41Å; F63-V96 HydrophobicContact CZ-CG1 4.44Å; F63-V96 HydrophobicContact CZ-CG2 4.39Å; Y64-V96 WeakPolarHBondContact CD1-O 3.35Å; Y64-V96 VanDerWaalsContact CE1-C 3.48Å; Y64-V96 WeakPolarHBondContact CE1-O 3.14Å; Y64-V96 PolarHBondContact N-O 3.47Å; V94-V96 HydrophobicContact CG1-CG2 4.23Å; V96-L125 WeakPolarHBondContact CA-O 3.37Å; V96-L125 HydrophobicContact CG1-CB 4.31Å; V96-L125 HydrophobicContact CG1-CD2 4.13Å; V96-L125 HydrophobicContact CG1-CG 4.31Å; V96-L125 HydrophobicContact CG2-CB 4.17Å; V96-L125 HydrophobicContact CG2-CD2 4.13Å; V96-D127 HydrophobicContact CG1-CB 4Å
97	S	98.7	Very high	98.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	178.3	160.2	80	0	0	0	0	110.7	Y64 D99 H104 L125 D127	Y64-S97 VanDerWaalsContact CZ-CB 3.41Å; Y64-S97 VanDerWaalsContact O-CB 3.23Å; Y64-S97 WeakPolarHBondContact O-CB 3.48Å; Y64-S97 PolarHBondContact OH-OG 3.18Å; S97-D99 PolarHBondContact O-N 3.49Å; S97-D99 WeakPolarHBondContact OG-CB 3.37Å; S97-D99 PolarHBondContact OG-N 3.24Å; S97-D99 PolarHBondContact OG-OD2 2.86Å; S97-H104 PolarHBondContact OG-CE1 2.81Å; S97-H104 VanDerWaalsContact OG-CE1 3.28Å; S97-L125 PolarHBondContact N-O 2.72Å; S97-D127 WeakPolarHBondContact O-CB 3.48Å; S97-D127 PolarHBondContact O-N 3.38Å
98	T	98.5	Very high	98.5	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.055	18%	0.177	C	C	.	.	S	Bend	trans	-84.1	5.7	178.3	55.3	0	0	0	0	113.7	D127 K130 T133 G144	T98-D127 WeakPolarHBondContact CA-O 3.26Å; T98-K130 HydrophobicContact CG2-CB 4.28Å; T98-K130 HydrophobicContact CG2-CD 4.36Å; T98-K130 HydrophobicContact CG2-CG 3.76Å; T98-T133 HydrophobicContact CG2-CG2 4.43Å; T98-G144 PolarHBondContact OG1-O 3.36Å
99	D	98.7	Very high	98.5	Very high	27 Å²	27	30.2 Å²	30.2	14%	0.144	17%	0.171	C	C	.	.	S	Bend	trans	-76.1	169.7	176.6	-58.1	-74.3	0	0	0	111.4	L66 D67 S97 A126	L66-D99 WeakPolarHBondContact CA-OD2 3.48Å; D67-D99 HydrophobicContact CB-CB 4.42Å; D67-D99 PolarHBondContact N-OD2 2.84Å; D67-D99 WeakPolarHBondContact OD2-CB 3.13Å; S97-D99 PolarHBondContact O-N 3.49Å; S97-D99 WeakPolarHBondContact OG-CB 3.37Å; S97-D99 PolarHBondContact OG-N 3.24Å; S97-D99 PolarHBondContact OG-OD2 2.86Å; D99-A126 VanDerWaalsContact O-CB 3.31Å; D99-A126 WeakPolarHBondContact O-CB 3.34Å
100	S	98.5	Very high	98.5	Very high	33 Å²	33	28.5 Å²	28.5	23%	0.231	17%	0.165	C	C	.	.			trans	-84.5	155.8	175.9	71.1	0	0	0	0	111.7	F102 S103 H104	S100-F102 PolarHBondContact O-N 3.19Å; S100-F102 VanDerWaalsContact O-N 3.16Å; S100-S103 WeakPolarHBondContact O-CA 3.34Å; S100-S103 WeakPolarHBondContact O-CB 3.36Å; S100-S103 PolarHBondContact O-N 3.16Å; S100-S103 PolarHBondContact OG-N 3.07Å; S100-H104 PolarHBondContact O-N 3.19Å
101	H	98.6	Very high	98.6	Very high	43 Å²	43	29.7 Å²	29.7	20%	0.199	17%	0.166	C	C	.	.	H	α-helix	trans	-61.1	-24.9	173.9	53.3	-92.2	0	0	0	112.7	T39 V41 F46 L105 A126	T39-H101 HydrophobicContact CG2-CB 3.99Å; V41-H101 HydrophobicContact CG2-CB 4.37Å; V41-H101 WeakPolarHBondContact CG2-O 3.4Å; F46-H101 HydrophobicContact CD1-CB 4.13Å; F46-H101 AromaticContact CD1-CD2 3.84Å; F46-H101 HydrophobicContact CE1-CB 4.16Å; F46-H101 AromaticContact CE1-CD2 3.74Å; F46-H101 WeakPolarHBondContact CE1-O 3.16Å; F46-H101 AromaticContact CE2-CD2 3.96Å; F46-H101 AromaticContact CZ-CD2 3.8Å; H101-L105 PolarHBondContact O-N 3.1Å; H101-A126 HydrophobicContact CB-CB 3.97Å; H101-A126 VanDerWaalsContact N-CB 3.29Å
102	F	98.7	Very high	98.5	Very high	131 Å²	131	34.6 Å²	34.6	58%	0.575	18%	0.184	S	C	*	.	H	α-helix	trans	-67.6	-43.2	170.9	-62.2	-72	0	0	0	112.3	F46 S100 L105 A106	F46-F102 HydrophobicContact CE2-CD1 4.06Å; F46-F102 AromaticContact CE2-CE1 3.76Å; F46-F102 HydrophobicContact CE2-CE1 3.76Å; F46-F102 AromaticContact CZ-CD1 3.79Å; F46-F102 HydrophobicContact CZ-CD1 3.79Å; F46-F102 AromaticContact CZ-CE1 4Å; F46-F102 HydrophobicContact CZ-CE1 4Å; S100-F102 PolarHBondContact O-N 3.19Å; S100-F102 VanDerWaalsContact O-N 3.16Å; F102-L105 PolarHBondContact O-N 3.47Å; F102-A106 PolarHBondContact O-N 3.1Å
103	S	98.6	Very high	98.4	Very high	27 Å²	27	42.6 Å²	42.6	19%	0.189	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-47.5	174.7	-179.4	0	0	0	0	110.8	D67 S100 L105 A106 W107	D67-S103 VanDerWaalsContact OD2-C 3.28Å; D67-S103 VanDerWaalsContact OD2-CB 3.29Å; D67-S103 WeakPolarHBondContact OD2-CB 3.42Å; D67-S103 PolarHBondContact OD2-OG 3.18Å; S100-S103 WeakPolarHBondContact O-CA 3.34Å; S100-S103 WeakPolarHBondContact O-CB 3.36Å; S100-S103 PolarHBondContact O-N 3.16Å; S100-S103 PolarHBondContact OG-N 3.07Å; S103-L105 PolarHBondContact O-N 3.28Å; S103-A106 PolarHBondContact O-N 3.14Å; S103-W107 WeakPolarHBondContact O-CB 3.5Å; S103-W107 PolarHBondContact O-N 2.67Å
104	H	98.7	Very high	98.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-54.2	-49.6	175.7	-69.2	-13.1	0	0	0	112.2	V41 Y64 D67 S97 S100 A106 W107 I108 L124 L125	V41-H104 HydrophobicContact CB-CB 4.5Å; V41-H104 HydrophobicContact CG2-CB 3.63Å; Y64-H104 PolarHBondContact OH-CE1 2.77Å; Y64-H104 PolarHBondContact OH-ND1 3.05Å; D67-H104 IonicContact OD1-CE1 2.77Å; D67-H104 IonicContact OD1-ND1 3.48Å; D67-H104 PolarHBondContact OD1-ND1 3.44Å; D67-H104 IonicContact OD2-CE1 3.36Å; D67-H104 IonicContact OD2-CG 3.13Å; D67-H104 PolarHBondContact OD2-N 3.41Å; D67-H104 IonicContact OD2-ND1 3.02Å; D67-H104 PolarHBondContact OD2-ND1 2.67Å; S97-H104 PolarHBondContact OG-CE1 2.81Å; S97-H104 VanDerWaalsContact OG-CE1 3.28Å; S100-H104 PolarHBondContact O-N 3.19Å; H104-A106 PolarHBondContact O-N 3.36Å; H104-W107 PolarHBondContact O-N 3.02Å; H104-I108 WeakPolarHBondContact O-CB 3.48Å; H104-I108 WeakPolarHBondContact O-CG1 3.33Å; H104-I108 PolarHBondContact O-N 3.08Å; H104-L124 HydrophobicContact CB-CD2 3.83Å; H104-L124 HydrophobicContact CB-CG 4.36Å; H104-L124 PolarHBondContact CD2-O 2.71Å; H104-L125 PolarHBondContact NE2-O 3.07Å
105	L	98.6	Very high	98.2	Very high	39 Å²	39	51.5 Å²	51.5	20%	0.204	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-41.7	-179.6	-177.9	61.7	0	0	0	111.7	V41 F46 H101 F102 S103 W107 I108 N109	V41-L105 HydrophobicContact CG1-CD1 4.06Å; V41-L105 HydrophobicContact CG2-CB 4.2Å; F46-L105 HydrophobicContact CE1-CB 3.95Å; F46-L105 HydrophobicContact CE1-CD2 3.81Å; F46-L105 HydrophobicContact CE1-CG 4.47Å; F46-L105 HydrophobicContact CZ-CB 4.35Å; F46-L105 HydrophobicContact CZ-CD2 3.66Å; H101-L105 PolarHBondContact O-N 3.1Å; F102-L105 PolarHBondContact O-N 3.47Å; S103-L105 PolarHBondContact O-N 3.28Å; L105-W107 VanDerWaalsContact C-N 3.32Å; L105-W107 PolarHBondContact O-N 3.29Å; L105-I108 PolarHBondContact O-N 3.22Å; L105-N109 WeakPolarHBondContact O-CB 3.2Å; L105-N109 VanDerWaalsContact O-CG 3.27Å; L105-N109 PolarHBondContact O-N 2.84Å; L105-N109 PolarHBondContact O-ND2 2.83Å; L105-N109 VanDerWaalsContact O-ND2 3.15Å
106	A	98.6	Very high	98.1	Very high	48 Å²	48	51.6 Å²	51.6	40%	0.397	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-42.9	175.1	0	0	0	0	0	111.6	F68 F102 S103 H104 N109 T110	F68-A106 HydrophobicContact CZ-CB 4.21Å; F102-A106 PolarHBondContact O-N 3.1Å; S103-A106 PolarHBondContact O-N 3.14Å; H104-A106 PolarHBondContact O-N 3.36Å; A106-N109 PolarHBondContact O-N 3.26Å; A106-T110 PolarHBondContact O-N 2.95Å; A106-T110 VanDerWaalsContact O-N 3.07Å; A106-T110 PolarHBondContact O-OG1 3.44Å
107	W	98.4	Very high	98.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-72.6	-36.5	-179	-161	31.8	0	0	0	113.1	Y64 D67 F68 C72 P73 L76 S103 H104 L105 N109 T110 G115 L117	Y64-W107 HydrophobicContact CD2-CZ3 4.49Å; Y64-W107 HydrophobicContact CE2-CH2 4.46Å; Y64-W107 AromaticContact CE2-CZ3 3.75Å; Y64-W107 HydrophobicContact CE2-CZ3 3.75Å; D67-W107 HydrophobicContact CB-CD2 4.12Å; D67-W107 HydrophobicContact CB-CE3 3.74Å; D67-W107 HydrophobicContact CB-CZ3 4.15Å; D67-W107 WeakPolarHBondContact OD1-CZ3 3.48Å; F68-W107 AromaticContact CD1-CD1 3.35Å; F68-W107 HydrophobicContact CD1-CG 4.06Å; F68-W107 AromaticContact CD1-NE1 3.81Å; F68-W107 HydrophobicContact CD2-CB 4.38Å; F68-W107 HydrophobicContact CD2-CG 4.26Å; F68-W107 HydrophobicContact CE1-CB 3.96Å; F68-W107 AromaticContact CE1-CD1 3.31Å; F68-W107 AromaticContact CE1-CG 3.87Å; F68-W107 HydrophobicContact CE1-CG 3.87Å; F68-W107 HydrophobicContact CE2-CB 3.72Å; F68-W107 HydrophobicContact CE2-CG 4.06Å; F68-W107 AromaticContact CG-CD1 3.88Å; F68-W107 HydrophobicContact CG-CG 4.25Å; F68-W107 HydrophobicContact CZ-CB 3.49Å; F68-W107 VanDerWaalsContact CZ-CB 3.49Å; F68-W107 AromaticContact CZ-CD1 3.8Å; F68-W107 AromaticContact CZ-CG 3.86Å; F68-W107 HydrophobicContact CZ-CG 3.86Å; F68-W107 VanDerWaalsContact N-CE2 3.25Å; C72-W107 HydrophobicContact CB-CH2 3.81Å; P73-W107 HydrophobicContact CB-CH2 4.09Å; P73-W107 HydrophobicContact CB-CZ2 3.59Å; P73-W107 HydrophobicContact CG-CH2 4.42Å; P73-W107 HydrophobicContact CG-CZ2 3.85Å; L76-W107 HydrophobicContact CD1-CE3 4.16Å; L76-W107 HydrophobicContact CD1-CH2 3.71Å; L76-W107 HydrophobicContact CD1-CZ3 3.27Å; S103-W107 WeakPolarHBondContact O-CB 3.5Å; S103-W107 PolarHBondContact O-N 2.67Å; H104-W107 PolarHBondContact O-N 3.02Å; L105-W107 VanDerWaalsContact C-N 3.32Å; L105-W107 PolarHBondContact O-N 3.29Å; W107-N109 VanDerWaalsContact C-N 3.27Å; W107-N109 PolarHBondContact O-N 3.32Å; W107-T110 WeakPolarHBondContact O-CB 3.33Å; W107-T110 PolarHBondContact O-N 2.82Å; W107-T110 VanDerWaalsContact O-N 3.16Å; W107-G115 PolarHBondContact NE1-O 3.32Å; W107-L117 HydrophobicContact CD2-CD1 4.13Å; W107-L117 HydrophobicContact CD2-CD2 4.13Å; W107-L117 HydrophobicContact CD2-CG 3.92Å; W107-L117 HydrophobicContact CE3-CD1 3.82Å; W107-L117 HydrophobicContact CE3-CD2 4.17Å; W107-L117 HydrophobicContact CE3-CG 4.07Å; W107-L117 HydrophobicContact CG-CG 4.26Å; W107-L117 HydrophobicContact CH2-CD2 4.11Å; W107-L117 HydrophobicContact CZ2-CD2 4.06Å; W107-L117 HydrophobicContact CZ3-CD1 4.3Å; W107-L117 HydrophobicContact CZ3-CD2 4.15Å; W107-L117 PolarHBondContact O-N 2.91Å; W107-L117 VanDerWaalsContact O-N 3.11Å
108	I	98.4	Very high	98	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.062	30%	0.295	C	S	.	.	H	α-helix	trans	-58	-41.9	171.2	-73.9	167	0	0	0	110.8	V41 H104 L105 T110 L117 G118 G119 L120 L124	V41-I108 HydrophobicContact CB-CD1 3.81Å; V41-I108 HydrophobicContact CG1-CD1 3.56Å; V41-I108 HydrophobicContact CG2-CD1 4.45Å; H104-I108 WeakPolarHBondContact O-CB 3.48Å; H104-I108 WeakPolarHBondContact O-CG1 3.33Å; H104-I108 PolarHBondContact O-N 3.08Å; L105-I108 PolarHBondContact O-N 3.22Å; I108-T110 VanDerWaalsContact C-N 3.32Å; I108-L117 HydrophobicContact CG1-CD1 3.87Å; I108-G118 PolarHBondContact O-N 3.17Å; I108-G119 PolarHBondContact O-N 2.93Å; I108-L120 HydrophobicContact CD1-CB 4.36Å; I108-L120 HydrophobicContact CG1-CB 4.26Å; I108-L124 HydrophobicContact CD1-CD2 4.26Å
109	N	98	Very high	97.9	Very high	116 Å²	116	54.8 Å²	54.8	62%	0.62	31%	0.306	S	S	*	.	H	α-helix	trans	-79.2	-12.3	179.4	-68.9	-27.5	0	0	0	113.8	L105 A106 W107	L105-N109 WeakPolarHBondContact O-CB 3.2Å; L105-N109 VanDerWaalsContact O-CG 3.27Å; L105-N109 PolarHBondContact O-N 2.84Å; L105-N109 PolarHBondContact O-ND2 2.83Å; L105-N109 VanDerWaalsContact O-ND2 3.15Å; A106-N109 PolarHBondContact O-N 3.26Å; W107-N109 VanDerWaalsContact C-N 3.27Å; W107-N109 PolarHBondContact O-N 3.32Å
110	T	98.3	Very high	97.8	Very high	30 Å²	30	54.4 Å²	54.4	18%	0.184	30%	0.304	C	S	.	.	S	Bend	trans	-75.6	131.8	176.4	-57.5	0	0	0	0	109.5	A106 W107 I108 E114 G116 L117 G118	A106-T110 PolarHBondContact O-N 2.95Å; A106-T110 VanDerWaalsContact O-N 3.07Å; A106-T110 PolarHBondContact O-OG1 3.44Å; W107-T110 WeakPolarHBondContact O-CB 3.33Å; W107-T110 PolarHBondContact O-N 2.82Å; W107-T110 VanDerWaalsContact O-N 3.16Å; I108-T110 VanDerWaalsContact C-N 3.32Å; T110-E114 HydrophobicContact CG2-CB 4.13Å; T110-G116 CarbonylContact O-C 3.44Å; T110-G116 VanDerWaalsContact O-CA 3.3Å; T110-G116 WeakPolarHBondContact O-CA 3.49Å; T110-L117 PolarHBondContact O-N 3.05Å; T110-G118 PolarHBondContact O-N 2.9Å
111	P	97.9	Very high	97.8	Very high	63 Å²	63	57.2 Å²	57.2	41%	0.409	31%	0.31	S	S	.	.			trans	-60.7	144.3	178.5	-24.4	34.2	0	0	0	113.2	K113 E114 G116	P111-K113 PolarHBondContact O-N 2.6Å; P111-K113 VanDerWaalsContact O-N 3.16Å; P111-E114 PolarHBondContact O-N 3.15Å; P111-G116 WeakPolarHBondContact O-CA 3.29Å; P111-G116 PolarHBondContact O-N 2.76Å
112	R	97.5	Very high	97.8	Very high	105 Å²	105	55.7 Å²	55.7	40%	0.396	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-56.5	-33.5	176.7	-67.2	-171.6	-176.8	-172.7	2.2	113.8	D81 E114 G115 G116 L117	D81-R112 VanDerWaalsContact CG-NH1 3.32Å; D81-R112 IonicContact OD1-CZ 3.76Å; D81-R112 IonicContact OD1-NH1 3.67Å; D81-R112 PolarHBondContact OD1-NH1 2.73Å; D81-R112 IonicContact OD1-NH2 3.67Å; D81-R112 PolarHBondContact OD1-NH2 3.03Å; D81-R112 IonicContact OD2-CZ 2.73Å; D81-R112 IonicContact OD2-NH1 2.86Å; D81-R112 PolarHBondContact OD2-NH1 3.47Å; D81-R112 IonicContact OD2-NH2 3.49Å; R112-E114 PolarHBondContact O-N 3.43Å; R112-G115 PolarHBondContact O-N 2.88Å; R112-G115 VanDerWaalsContact O-N 3.11Å; R112-G116 WeakPolarHBondContact CA-O 3.42Å; R112-L117 WeakPolarHBondContact CG-O 3.4Å; R112-L117 PolarHBondContact NE-O 2.75Å
113	K	97	Very high	97.8	Very high	211 Å²	211	50.3 Å²	50.3	92%	0.917	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-64.6	-19.2	177.1	-70.4	-175.7	177.6	179.2	0	113.4	P111	P111-K113 PolarHBondContact O-N 2.6Å; P111-K113 VanDerWaalsContact O-N 3.16Å
114	E	96.5	Very high	97.8	Very high	149 Å²	149	49 Å²	49	70%	0.696	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-104.3	13.1	178.3	-62.4	176.8	-173.6	0	0	111.7	T110 P111 R112 G116	T110-E114 HydrophobicContact CG2-CB 4.13Å; P111-E114 PolarHBondContact O-N 3.15Å; R112-E114 PolarHBondContact O-N 3.43Å; E114-G116 VanDerWaalsContact C-N 3.33Å
115	G	95.7	Very high	97.8	Very high	38 Å²	38	49.1 Å²	49.1	39%	0.392	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	11	-176.4	0	0	0	0	0	114.4	W107 R112	W107-G115 PolarHBondContact NE1-O 3.32Å; R112-G115 PolarHBondContact O-N 2.88Å; R112-G115 VanDerWaalsContact O-N 3.11Å
116	G	97.3	Very high	97.8	Very high	3 Å²	3	48 Å²	48	3%	0.031	27%	0.268	C	S	.	.	S	Bend	trans	-82.2	-174.8	171.3	0	0	0	0	0	114.1	T110 P111 R112 E114	T110-G116 CarbonylContact O-C 3.44Å; T110-G116 VanDerWaalsContact O-CA 3.3Å; T110-G116 WeakPolarHBondContact O-CA 3.49Å; P111-G116 WeakPolarHBondContact O-CA 3.29Å; P111-G116 PolarHBondContact O-N 2.76Å; R112-G116 WeakPolarHBondContact CA-O 3.42Å; E114-G116 VanDerWaalsContact C-N 3.33Å
117	L	98	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.			trans	-96	-25.9	179.3	-49.3	178.2	0	0	0	112.7	P73 L76 T77 W107 I108 T110 R112 G119 L120 L124	P73-L117 HydrophobicContact CB-CD2 3.81Å; L76-L117 HydrophobicContact CB-CD2 3.98Å; L76-L117 HydrophobicContact CD1-CD1 4.03Å; L76-L117 HydrophobicContact CD1-CD2 3.88Å; T77-L117 HydrophobicContact CG2-CB 4.43Å; T77-L117 HydrophobicContact CG2-CD2 4.22Å; W107-L117 HydrophobicContact CD2-CD1 4.13Å; W107-L117 HydrophobicContact CD2-CD2 4.13Å; W107-L117 HydrophobicContact CD2-CG 3.92Å; W107-L117 HydrophobicContact CE3-CD1 3.82Å; W107-L117 HydrophobicContact CE3-CD2 4.17Å; W107-L117 HydrophobicContact CE3-CG 4.07Å; W107-L117 HydrophobicContact CG-CG 4.26Å; W107-L117 HydrophobicContact CH2-CD2 4.11Å; W107-L117 HydrophobicContact CZ2-CD2 4.06Å; W107-L117 HydrophobicContact CZ3-CD1 4.3Å; W107-L117 HydrophobicContact CZ3-CD2 4.15Å; W107-L117 PolarHBondContact O-N 2.91Å; W107-L117 VanDerWaalsContact O-N 3.11Å; I108-L117 HydrophobicContact CG1-CD1 3.87Å; T110-L117 PolarHBondContact O-N 3.05Å; R112-L117 WeakPolarHBondContact CG-O 3.4Å; R112-L117 PolarHBondContact NE-O 2.75Å; L117-G119 VanDerWaalsContact C-N 3.3Å; L117-G119 PolarHBondContact O-N 3.24Å; L117-L120 HydrophobicContact CD1-CD1 4.43Å; L117-L124 HydrophobicContact CD1-CD2 4.32Å
118	G	96.8	Very high	97.8	Very high	47 Å²	47	53.7 Å²	53.7	49%	0.485	28%	0.281	S	S	.	.	S	Bend	trans	58.2	39.6	-178.6	0	0	0	0	0	113.3	I108 T110	I108-G118 PolarHBondContact O-N 3.17Å; T110-G118 PolarHBondContact O-N 2.9Å
119	G	97.1	Very high	97.7	Very high	29 Å²	29	61 Å²	61	30%	0.299	32%	0.315	S	S	.	.			trans	101.1	154.2	-171	0	0	0	0	0	113.7	I108 L117	I108-G119 PolarHBondContact O-N 2.93Å; L117-G119 VanDerWaalsContact C-N 3.3Å; L117-G119 PolarHBondContact O-N 3.24Å
120	L	97.5	Very high	97.7	Very high	18 Å²	18	58.4 Å²	58.4	9%	0.094	30%	0.298	C	S	.	.			trans	-145.5	133.9	176.8	-158.4	73	0	0	0	109.8	L76 I108 L117 Y122 L124	L76-L120 HydrophobicContact CB-CD1 4.27Å; I108-L120 HydrophobicContact CD1-CB 4.36Å; I108-L120 HydrophobicContact CG1-CB 4.26Å; L117-L120 HydrophobicContact CD1-CD1 4.43Å; L120-Y122 HydrophobicContact CD1-CE1 3.9Å; L120-Y122 HydrophobicContact CD1-CE2 4.39Å; L120-Y122 HydrophobicContact CD2-CD2 4.19Å; L120-Y122 HydrophobicContact CD2-CE2 3.79Å; L120-Y122 WeakPolarHBondContact CD2-O 3.35Å; L120-Y122 HydrophobicContact CG-CD1 4.36Å; L120-Y122 HydrophobicContact CG-CD2 4.46Å; L120-Y122 HydrophobicContact CG-CE1 4.06Å; L120-Y122 HydrophobicContact CG-CE2 4.16Å; L120-L124 HydrophobicContact CD2-CB 3.93Å; L120-L124 HydrophobicContact CD2-CD1 4.2Å; L120-L124 HydrophobicContact CD2-CD2 4.22Å; L120-L124 HydrophobicContact CD2-CG 4.37Å
121	R	98	Very high	97.7	Very high	93 Å²	93	61 Å²	61	35%	0.351	31%	0.308	S	S	.	.	S	Bend	trans	-99	13.7	-172.5	-59	-162.1	-64.9	156.2	-9.8	114.8	S80 D81 I83 D84	S80-R121 VanDerWaalsContact O-CZ 3.26Å; S80-R121 PolarHBondContact O-NE 3.26Å; S80-R121 PolarHBondContact O-NH2 3.28Å; S80-R121 PolarHBondContact OG-N 2.77Å; D81-R121 PolarHBondContact O-NH2 2.79Å; I83-R121 HydrophobicContact CB-CB 4.4Å; I83-R121 HydrophobicContact CG2-CB 3.83Å; D84-R121 VanDerWaalsContact CG-NH1 3.28Å; D84-R121 IonicContact OD1-CZ 2.77Å; D84-R121 IonicContact OD1-NH1 2.79Å; D84-R121 PolarHBondContact OD1-NH1 2.9Å; D84-R121 VanDerWaalsContact OD1-NH1 3.13Å; D84-R121 IonicContact OD2-CZ 3.74Å; D84-R121 IonicContact OD2-NH1 3.66Å; D84-R121 PolarHBondContact OD2-NH1 3.43Å; D84-R121 IonicContact OD2-NH2 3.37Å; D84-R121 PolarHBondContact OD2-NH2 2.85Å
122	Y	98.6	Very high	97.7	Very high	10 Å²	10	58.6 Å²	58.6	4%	0.039	29%	0.292	C	S	.	.	S	Bend	trans	-148.9	162.1	177	60.6	-96.6	0	0	0	110.4	F62 L76 F79 I83 V93 L120	F62-Y122 AromaticContact CE1-CE2 3.89Å; F62-Y122 HydrophobicContact CE1-CE2 3.89Å; F62-Y122 AromaticContact CZ-CE2 3.95Å; F62-Y122 HydrophobicContact CZ-CE2 3.95Å; F62-Y122 AromaticContact CZ-CZ 3.96Å; F62-Y122 WeakPolarHBondContact CZ-OH 3.19Å; L76-Y122 VanDerWaalsContact C-OH 3.26Å; L76-Y122 WeakPolarHBondContact CA-OH 3.35Å; L76-Y122 HydrophobicContact CD2-CE2 4.48Å; L76-Y122 WeakPolarHBondContact CD2-OH 3.39Å; L76-Y122 PolarHBondContact O-OH 3.07Å; F79-Y122 HydrophobicContact CB-CE1 3.75Å; I83-Y122 HydrophobicContact CD1-CD1 3.82Å; I83-Y122 HydrophobicContact CD1-CG 4.25Å; I83-Y122 HydrophobicContact CG1-CD1 4.38Å; V93-Y122 HydrophobicContact CB-CG 4.28Å; V93-Y122 HydrophobicContact CG1-CD1 4.43Å; V93-Y122 HydrophobicContact CG1-CD2 4.12Å; V93-Y122 HydrophobicContact CG1-CE2 4.32Å; V93-Y122 HydrophobicContact CG1-CG 4.2Å; V93-Y122 WeakPolarHBondContact O-CB 3.49Å; L120-Y122 HydrophobicContact CD1-CE1 3.9Å; L120-Y122 HydrophobicContact CD1-CE2 4.39Å; L120-Y122 HydrophobicContact CD2-CD2 4.19Å; L120-Y122 HydrophobicContact CD2-CE2 3.79Å; L120-Y122 WeakPolarHBondContact CD2-O 3.35Å; L120-Y122 HydrophobicContact CG-CD1 4.36Å; L120-Y122 HydrophobicContact CG-CD2 4.46Å; L120-Y122 HydrophobicContact CG-CE1 4.06Å; L120-Y122 HydrophobicContact CG-CE2 4.16Å
123	P	98.7	Very high	97.7	Very high	18 Å²	18	53.6 Å²	53.6	12%	0.117	27%	0.273	C	S	.	.			trans	-62.6	139.6	-176.9	-25.1	35.8	0	0	0	114.5	A40 V41 V42 I49 V93 V94 G95	A40-P123 HydrophobicContact CB-CB 4.21Å; V41-P123 WeakPolarHBondContact O-CA 3.3Å; V42-P123 HydrophobicContact CG2-CB 3.83Å; V42-P123 HydrophobicContact CG2-CG 3.94Å; I49-P123 HydrophobicContact CD1-CB 4Å; V93-P123 WeakPolarHBondContact O-CD 3.5Å; V94-P123 HydrophobicContact CG1-CB 4.49Å; V94-P123 HydrophobicContact CG2-CB 4.31Å; V94-P123 HydrophobicContact CG2-CG 4.35Å; G95-P123 PolarHBondContact N-O 3.34Å
124	L	98.8	Very high	97.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	103.8	169.3	-160.6	60.3	0	0	0	109.7	A40 V41 Y64 L76 H104 I108 L117 L120	A40-L124 CarbonylContact C-O 3.55Å; A40-L124 WeakPolarHBondContact CA-O 3.43Å; A40-L124 WeakPolarHBondContact CB-O 3.42Å; V41-L124 PolarHBondContact N-O 2.99Å; V41-L124 PolarHBondContact O-N 2.96Å; V41-L124 VanDerWaalsContact O-N 3.08Å; Y64-L124 HydrophobicContact CE1-CD1 3.54Å; Y64-L124 WeakPolarHBondContact OH-CD1 3.45Å; Y64-L124 WeakPolarHBondContact OH-CD2 3.29Å; L76-L124 HydrophobicContact CD2-CD1 3.73Å; H104-L124 HydrophobicContact CB-CD2 3.83Å; H104-L124 HydrophobicContact CB-CG 4.36Å; H104-L124 PolarHBondContact CD2-O 2.71Å; I108-L124 HydrophobicContact CD1-CD2 4.26Å; L117-L124 HydrophobicContact CD1-CD2 4.32Å; L120-L124 HydrophobicContact CD2-CB 3.93Å; L120-L124 HydrophobicContact CD2-CD1 4.2Å; L120-L124 HydrophobicContact CD2-CD2 4.22Å; L120-L124 HydrophobicContact CD2-CG 4.37Å
125	L	98.9	Very high	97.8	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.4	-175.3	179	66.5	0	0	0	111.5	F36 A40 I49 V94 G95 V96 S97 H104	F36-L125 HydrophobicContact CD2-CD2 3.83Å; F36-L125 HydrophobicContact CE2-CD2 4.14Å; F36-L125 HydrophobicContact CG-CD2 4.49Å; A40-L125 HydrophobicContact CB-CB 4.37Å; A40-L125 HydrophobicContact CB-CD1 4.3Å; I49-L125 HydrophobicContact CD1-CB 4.3Å; I49-L125 HydrophobicContact CD1-CD1 4.18Å; I49-L125 HydrophobicContact CG1-CD1 3.94Å; V94-L125 HydrophobicContact CG1-CB 4.2Å; G95-L125 PolarHBondContact O-N 2.58Å; V96-L125 WeakPolarHBondContact CA-O 3.37Å; V96-L125 HydrophobicContact CG1-CB 4.31Å; V96-L125 HydrophobicContact CG1-CD2 4.13Å; V96-L125 HydrophobicContact CG1-CG 4.31Å; V96-L125 HydrophobicContact CG2-CB 4.17Å; V96-L125 HydrophobicContact CG2-CD2 4.13Å; S97-L125 PolarHBondContact N-O 2.72Å; H104-L125 PolarHBondContact NE2-O 3.07Å
126	A	98.8	Very high	97.9	Very high	15 Å²	15	39.2 Å²	39.2	12%	0.124	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	109.9	174.7	0	0	0	0	0	111.3	T39 D99 H101 Y128	T39-A126 WeakPolarHBondContact O-CB 3.42Å; T39-A126 PolarHBondContact O-N 2.83Å; D99-A126 VanDerWaalsContact O-CB 3.31Å; D99-A126 WeakPolarHBondContact O-CB 3.34Å; H101-A126 HydrophobicContact CB-CB 3.97Å; H101-A126 VanDerWaalsContact N-CB 3.29Å; A126-Y128 PolarHBondContact O-N 3.43Å
127	D	98.7	Very high	97.9	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	22%	0.217	C	C	.	.			trans	-100	58.6	172.8	-178.7	33.2	0	0	0	111.1	V96 S97 T98 Q129 K130 Q131 V132 T133	V96-D127 HydrophobicContact CG1-CB 4Å; S97-D127 WeakPolarHBondContact O-CB 3.48Å; S97-D127 PolarHBondContact O-N 3.38Å; T98-D127 WeakPolarHBondContact CA-O 3.26Å; D127-Q129 PolarHBondContact O-N 3.01Å; D127-Q129 VanDerWaalsContact O-N 3.16Å; D127-K130 WeakPolarHBondContact O-CA 3.5Å; D127-K130 PolarHBondContact O-N 3.02Å; D127-K130 WeakPolarHBondContact OD1-CA 3.34Å; D127-K130 PolarHBondContact OD1-N 3.13Å; D127-K130 WeakPolarHBondContact OD2-CA 3.46Å; D127-Q131 PolarHBondContact OD1-N 2.9Å; D127-Q131 PolarHBondContact OD2-N 2.71Å; D127-V132 HydrophobicContact CB-CB 4.22Å; D127-V132 HydrophobicContact CB-CG2 4.49Å; D127-V132 PolarHBondContact OD1-N 2.71Å; D127-V132 PolarHBondContact OD2-N 3.35Å; D127-T133 WeakPolarHBondContact OD2-CB 3.4Å; D127-T133 PolarHBondContact OD2-N 2.92Å; D127-T133 PolarHBondContact OD2-OG1 3.36Å
128	Y	97.4	Very high	97.9	Very high	161 Å²	161	41.2 Å²	41.2	63%	0.631	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-34	-175.1	-168.6	-105.2	0	0	0	113.2	A126 K130	A126-Y128 PolarHBondContact O-N 3.43Å; Y128-K130 VanDerWaalsContact C-N 3.28Å; Y128-K130 PolarHBondContact O-N 2.74Å; Y128-K130 PolarHBondContact O-NZ 2.79Å
129	Q	96.9	Very high	98	Very high	165 Å²	165	40 Å²	40	77%	0.771	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.2	176.9	-65.9	-175.4	-6.5	0	0	113.6	D127 Q131	D127-Q129 PolarHBondContact O-N 3.01Å; D127-Q129 VanDerWaalsContact O-N 3.16Å; Q129-Q131 PolarHBondContact O-N 2.88Å
130	K	97.6	Very high	97.9	Very high	62 Å²	62	41.4 Å²	41.4	27%	0.27	20%	0.198	S	C	.	.	S	Bend	trans	63.2	17.6	177.7	-45.7	179.9	173.4	56.7	0	113.2	T98 D127 Y128 R134 L139 G144	T98-K130 HydrophobicContact CG2-CB 4.28Å; T98-K130 HydrophobicContact CG2-CD 4.36Å; T98-K130 HydrophobicContact CG2-CG 3.76Å; D127-K130 WeakPolarHBondContact O-CA 3.5Å; D127-K130 PolarHBondContact O-N 3.02Å; D127-K130 WeakPolarHBondContact OD1-CA 3.34Å; D127-K130 PolarHBondContact OD1-N 3.13Å; D127-K130 WeakPolarHBondContact OD2-CA 3.46Å; Y128-K130 VanDerWaalsContact C-N 3.28Å; Y128-K130 PolarHBondContact O-N 2.74Å; Y128-K130 PolarHBondContact O-NZ 2.79Å; K130-R134 VanDerWaalsContact O-CB 3.24Å; K130-R134 WeakPolarHBondContact O-CB 3.49Å; K130-R134 PolarHBondContact O-N 3.34Å; K130-R134 VanDerWaalsContact O-N 3.14Å; K130-R134 PolarHBondContact O-NH1 2.73Å; K130-L139 HydrophobicContact CB-CD1 4.16Å; K130-L139 HydrophobicContact CB-CD2 3.92Å; K130-L139 HydrophobicContact CD-CD1 4.12Å; K130-L139 HydrophobicContact CG-CD1 4.5Å; K130-G144 WeakPolarHBondContact CE-O 3.31Å
131	Q	97.1	Very high	97.9	Very high	86 Å²	86	46 Å²	46	40%	0.402	22%	0.219	S	C	.	.	H	α-helix	trans	-77.7	-47.1	-173.6	-175.4	55.2	43.4	0	0	109.6	D127 Q129 T133 R134 D135	D127-Q131 PolarHBondContact OD1-N 2.9Å; D127-Q131 PolarHBondContact OD2-N 2.71Å; Q129-Q131 PolarHBondContact O-N 2.88Å; Q131-T133 VanDerWaalsContact C-N 3.34Å; Q131-T133 PolarHBondContact O-N 3Å; Q131-R134 PolarHBondContact O-N 3.36Å; Q131-D135 PolarHBondContact NE2-OD1 3Å; Q131-D135 PolarHBondContact NE2-OD2 3.35Å; Q131-D135 WeakPolarHBondContact O-CB 3.38Å; Q131-D135 PolarHBondContact O-N 3.44Å
132	V	98	Very high	97.7	Very high	12 Å²	12	48.6 Å²	48.6	7%	0.073	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-45.6	177.7	-175.5	0	0	0	0	110.1	F36 F63 D127 R134 D135 Y136	F36-V132 HydrophobicContact CB-CB 4.47Å; F36-V132 HydrophobicContact CB-CG1 3.79Å; F36-V132 HydrophobicContact CB-CG2 3.81Å; F36-V132 HydrophobicContact CG-CG1 4.37Å; F63-V132 HydrophobicContact CE1-CG1 4.11Å; F63-V132 HydrophobicContact CZ-CG1 3.98Å; D127-V132 HydrophobicContact CB-CB 4.22Å; D127-V132 HydrophobicContact CB-CG2 4.49Å; D127-V132 PolarHBondContact OD1-N 2.71Å; D127-V132 PolarHBondContact OD2-N 3.35Å; V132-R134 VanDerWaalsContact C-N 3.27Å; V132-R134 PolarHBondContact O-N 3.4Å; V132-D135 PolarHBondContact O-N 2.95Å; V132-Y136 HydrophobicContact CG1-CD2 3.95Å; V132-Y136 HydrophobicContact CG1-CE2 4.08Å; V132-Y136 VanDerWaalsContact O-CD2 3.29Å; V132-Y136 WeakPolarHBondContact O-CD2 3.29Å; V132-Y136 PolarHBondContact O-N 3.36Å
133	T	98.2	Very high	97.6	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-37.2	178.7	-53.8	0	0	0	0	111.5	F63 T98 D127 Q131 G137 V138 L139 A146	F63-T133 HydrophobicContact CD1-CG2 4.17Å; F63-T133 HydrophobicContact CE1-CG2 4.49Å; T98-T133 HydrophobicContact CG2-CG2 4.43Å; D127-T133 WeakPolarHBondContact OD2-CB 3.4Å; D127-T133 PolarHBondContact OD2-N 2.92Å; D127-T133 PolarHBondContact OD2-OG1 3.36Å; Q131-T133 VanDerWaalsContact C-N 3.34Å; Q131-T133 PolarHBondContact O-N 3Å; T133-G137 PolarHBondContact O-N 3.04Å; T133-V138 HydrophobicContact CG2-CG2 3.91Å; T133-V138 WeakPolarHBondContact O-CG2 3.48Å; T133-V138 PolarHBondContact O-N 3.3Å; T133-L139 HydrophobicContact CG2-CB 3.79Å; T133-L139 HydrophobicContact CG2-CD1 4.07Å; T133-L139 PolarHBondContact O-N 2.91Å; T133-A146 HydrophobicContact CG2-CB 3.47Å; T133-A146 VanDerWaalsContact CG2-CB 3.47Å
134	R	97.6	Very high	97.5	Very high	68 Å²	68	53.1 Å²	53.1	26%	0.257	26%	0.264	S	S	.	.	H	α-helix	trans	-72.5	-43	175.6	-171.9	179.7	-61.9	100.3	4.1	112.3	K130 Q131 V132 Y136 G137 L139 E141	K130-R134 VanDerWaalsContact O-CB 3.24Å; K130-R134 WeakPolarHBondContact O-CB 3.49Å; K130-R134 PolarHBondContact O-N 3.34Å; K130-R134 VanDerWaalsContact O-N 3.14Å; K130-R134 PolarHBondContact O-NH1 2.73Å; Q131-R134 PolarHBondContact O-N 3.36Å; V132-R134 VanDerWaalsContact C-N 3.27Å; V132-R134 PolarHBondContact O-N 3.4Å; R134-Y136 VanDerWaalsContact C-N 3.28Å; R134-Y136 PolarHBondContact O-N 3.47Å; R134-G137 WeakPolarHBondContact O-CA 3.35Å; R134-G137 PolarHBondContact O-N 3.3Å; R134-L139 HydrophobicContact CB-CB 4.42Å; R134-L139 HydrophobicContact CB-CD2 4.11Å; R134-L139 VanDerWaalsContact NH2-CD2 3.26Å; R134-E141 IonicContact CZ-OE1 2.71Å; R134-E141 IonicContact NE-OE1 3.24Å; R134-E141 PolarHBondContact NE-OE1 2.97Å; R134-E141 VanDerWaalsContact NE-OE1 3.07Å; R134-E141 IonicContact NH2-OE1 3.58Å; R134-E141 IonicContact NH2-OE2 2.74Å
135	D	97.6	Very high	97.4	Very high	22 Å²	22	53.8 Å²	53.8	12%	0.118	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-37.2	177.7	-67.2	-26.6	0	0	0	111	Y25 A26 A27 P34 Q131 V132 G137	Y25-D135 CarbonylContact C-O 3.49Å; A26-D135 WeakPolarHBondContact CA-O 3.38Å; A27-D135 PolarHBondContact N-O 3.41Å; P34-D135 HydrophobicContact CB-CB 3.96Å; Q131-D135 PolarHBondContact NE2-OD1 3Å; Q131-D135 PolarHBondContact NE2-OD2 3.35Å; Q131-D135 WeakPolarHBondContact O-CB 3.38Å; Q131-D135 PolarHBondContact O-N 3.44Å; V132-D135 PolarHBondContact O-N 2.95Å; D135-G137 PolarHBondContact O-N 2.92Å
136	Y	98.3	Very high	97.4	Very high	5 Å²	5	53.7 Å²	53.7	2%	0.02	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-1.3	172.4	-79.7	-101.1	0	0	0	113.8	A27 P34 F36 L61 F63 V132 R134 V138 F151 I153	A27-Y136 HydrophobicContact CB-CD1 4.08Å; P34-Y136 HydrophobicContact CB-CD2 4.18Å; P34-Y136 HydrophobicContact CB-CE2 3.84Å; P34-Y136 HydrophobicContact CG-CD2 4.36Å; P34-Y136 HydrophobicContact CG-CE2 4.25Å; P34-Y136 VanDerWaalsContact O-CE2 3.28Å; P34-Y136 WeakPolarHBondContact O-CE2 3.48Å; P34-Y136 PolarHBondContact O-OH 2.96Å; F36-Y136 HydrophobicContact CD1-CE2 4.26Å; L61-Y136 HydrophobicContact CD2-CD1 4.09Å; L61-Y136 HydrophobicContact CD2-CE1 3.47Å; L61-Y136 VanDerWaalsContact CD2-CE1 3.47Å; L61-Y136 HydrophobicContact CD2-CE2 3.97Å; F63-Y136 AromaticContact CE2-CD1 3.98Å; F63-Y136 HydrophobicContact CE2-CD1 3.98Å; F63-Y136 HydrophobicContact CE2-CD2 4.42Å; F63-Y136 AromaticContact CE2-CG 3.78Å; F63-Y136 HydrophobicContact CE2-CG 3.78Å; F63-Y136 HydrophobicContact CZ-CD1 4.27Å; F63-Y136 AromaticContact CZ-CD2 3.89Å; F63-Y136 HydrophobicContact CZ-CD2 3.89Å; F63-Y136 AromaticContact CZ-CG 3.67Å; F63-Y136 HydrophobicContact CZ-CG 3.67Å; V132-Y136 HydrophobicContact CG1-CD2 3.95Å; V132-Y136 HydrophobicContact CG1-CE2 4.08Å; V132-Y136 VanDerWaalsContact O-CD2 3.29Å; V132-Y136 WeakPolarHBondContact O-CD2 3.29Å; V132-Y136 PolarHBondContact O-N 3.36Å; R134-Y136 VanDerWaalsContact C-N 3.28Å; R134-Y136 PolarHBondContact O-N 3.47Å; Y136-V138 VanDerWaalsContact C-N 3.32Å; Y136-V138 PolarHBondContact O-N 3.47Å; Y136-F151 AromaticContact CD1-CD1 3.8Å; Y136-F151 HydrophobicContact CD1-CD1 3.8Å; Y136-F151 AromaticContact CD1-CD2 3.67Å; Y136-F151 HydrophobicContact CD1-CD2 3.67Å; Y136-F151 AromaticContact CD1-CE1 3.83Å; Y136-F151 HydrophobicContact CD1-CE1 3.83Å; Y136-F151 AromaticContact CD1-CE2 3.69Å; Y136-F151 HydrophobicContact CD1-CE2 3.69Å; Y136-F151 AromaticContact CD1-CG 3.75Å; Y136-F151 HydrophobicContact CD1-CG 3.75Å; Y136-F151 AromaticContact CD1-CZ 3.78Å; Y136-F151 HydrophobicContact CD1-CZ 3.78Å; Y136-F151 HydrophobicContact CE1-CB 4.46Å; Y136-F151 HydrophobicContact CE1-CD1 4.28Å; Y136-F151 HydrophobicContact CE1-CD2 4.28Å; Y136-F151 HydrophobicContact CE1-CG 4.08Å; Y136-F151 HydrophobicContact CG-CE2 4.27Å; Y136-F151 HydrophobicContact CG-CZ 4.32Å; Y136-F151 WeakPolarHBondContact O-CZ 3.38Å; Y136-I153 HydrophobicContact CE1-CD1 4.49Å
137	G	97.5	Very high	97.3	Very high	45 Å²	45	55 Å²	55	46%	0.464	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	22.5	174.2	0	0	0	0	0	114.5	T133 R134 D135	T133-G137 PolarHBondContact O-N 3.04Å; R134-G137 WeakPolarHBondContact O-CA 3.35Å; R134-G137 PolarHBondContact O-N 3.3Å; D135-G137 PolarHBondContact O-N 2.92Å
138	V	98.1	Very high	97.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.272	C	S	.	.			trans	-116.7	8.5	-174.2	-65.6	0	0	0	0	113.2	F63 T133 Y136 H140 A146 L147 F151 I164	F63-V138 HydrophobicContact CB-CG2 4.18Å; F63-V138 HydrophobicContact CD1-CG2 3.97Å; F63-V138 HydrophobicContact CD2-CG2 3.85Å; F63-V138 HydrophobicContact CE1-CG2 4.33Å; F63-V138 HydrophobicContact CE2-CG2 4.22Å; F63-V138 HydrophobicContact CG-CG2 3.72Å; F63-V138 HydrophobicContact CZ-CG2 4.45Å; T133-V138 HydrophobicContact CG2-CG2 3.91Å; T133-V138 WeakPolarHBondContact O-CG2 3.48Å; T133-V138 PolarHBondContact O-N 3.3Å; Y136-V138 VanDerWaalsContact C-N 3.32Å; Y136-V138 PolarHBondContact O-N 3.47Å; V138-H140 PolarHBondContact O-N 2.85Å; V138-A146 CarbonylContact O-C 3.57Å; V138-A146 WeakPolarHBondContact O-CA 3.49Å; V138-L147 HydrophobicContact CB-CB 4.48Å; V138-L147 PolarHBondContact O-N 2.96Å; V138-F151 HydrophobicContact CG1-CE2 4.09Å; V138-F151 HydrophobicContact CG1-CZ 3.79Å; V138-I164 HydrophobicContact CG1-CD1 3.91Å; V138-I164 HydrophobicContact CG1-CG1 4.11Å
139	L	98.1	Very high	97.4	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.11	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.3	175.5	-178.6	61.1	0	0	0	110.8	K130 T133 R134 E141	K130-L139 HydrophobicContact CB-CD1 4.16Å; K130-L139 HydrophobicContact CB-CD2 3.92Å; K130-L139 HydrophobicContact CD-CD1 4.12Å; K130-L139 HydrophobicContact CG-CD1 4.5Å; T133-L139 HydrophobicContact CG2-CB 3.79Å; T133-L139 HydrophobicContact CG2-CD1 4.07Å; T133-L139 PolarHBondContact O-N 2.91Å; R134-L139 HydrophobicContact CB-CB 4.42Å; R134-L139 HydrophobicContact CB-CD2 4.11Å; R134-L139 VanDerWaalsContact NH2-CD2 3.26Å; L139-E141 WeakPolarHBondContact CD2-OE2 3.46Å; L139-E141 PolarHBondContact O-N 2.7Å
140	H	96.5	Very high	97.5	Very high	60 Å²	60	39.6 Å²	39.6	28%	0.278	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	89.3	166.4	-168.1	-53.7	0	0	0	109.4	V138 E142 L143 G144 V145 L147	V138-H140 PolarHBondContact O-N 2.85Å; H140-E142 VanDerWaalsContact C-N 3.26Å; H140-E142 PolarHBondContact O-N 2.99Å; H140-E142 VanDerWaalsContact O-N 3.09Å; H140-L143 HydrophobicContact CB-CB 4.3Å; H140-L143 WeakPolarHBondContact ND1-CG 3.41Å; H140-L143 PolarHBondContact ND1-N 2.92Å; H140-L143 PolarHBondContact O-N 2.81Å; H140-G144 PolarHBondContact O-N 2.81Å; H140-V145 HydrophobicContact CB-CG2 4.45Å; H140-V145 WeakPolarHBondContact CB-O 3.28Å; H140-V145 PolarHBondContact N-O 2.98Å; H140-L147 HydrophobicContact CB-CD2 4.39Å
141	E	95.8	Very high	97.5	Very high	114 Å²	114	36.7 Å²	36.7	53%	0.533	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-38.5	-171.5	-67.4	-71.7	-174.4	0	0	114.2	R134 L139	R134-E141 IonicContact CZ-OE1 2.71Å; R134-E141 IonicContact NE-OE1 3.24Å; R134-E141 PolarHBondContact NE-OE1 2.97Å; R134-E141 VanDerWaalsContact NE-OE1 3.07Å; R134-E141 IonicContact NH2-OE1 3.58Å; R134-E141 IonicContact NH2-OE2 2.74Å; L139-E141 WeakPolarHBondContact CD2-OE2 3.46Å; L139-E141 PolarHBondContact O-N 2.7Å
142	E	95.7	Very high	97.6	Very high	147 Å²	147	32.6 Å²	32.6	69%	0.687	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-26.9	-179.6	-61.2	177.8	-179.7	0	0	113.7	R15 H140	R15-E142 IonicContact CZ-OE1 3.35Å; R15-E142 IonicContact NH2-OE1 3.98Å; R15-E142 PolarHBondContact NH2-OE1 2.9Å; H140-E142 VanDerWaalsContact C-N 3.26Å; H140-E142 PolarHBondContact O-N 2.99Å; H140-E142 VanDerWaalsContact O-N 3.09Å
143	L	95.2	Very high	97.6	Very high	103 Å²	103	32.2 Å²	32.2	54%	0.539	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-19.9	-179	-67.3	178.6	0	0	0	111.9	H140 V145 L167	H140-L143 HydrophobicContact CB-CB 4.3Å; H140-L143 WeakPolarHBondContact ND1-CG 3.41Å; H140-L143 PolarHBondContact ND1-N 2.92Å; H140-L143 PolarHBondContact O-N 2.81Å; L143-V145 VanDerWaalsContact C-N 3.31Å; L143-V145 HydrophobicContact CB-CG2 3.87Å; L143-V145 HydrophobicContact CD1-CG2 4.45Å; L143-V145 PolarHBondContact O-N 3.05Å; L143-L167 HydrophobicContact CD1-CD1 4.08Å
144	G	96.7	Very high	97.7	Very high	21 Å²	21	32.3 Å²	32.3	22%	0.216	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	21.8	-178	0	0	0	0	0	114.4	T98 K130 H140	T98-G144 PolarHBondContact OG1-O 3.36Å; K130-G144 WeakPolarHBondContact CE-O 3.31Å; H140-G144 PolarHBondContact O-N 2.81Å
145	V	97.4	Very high	97.7	Very high	14 Å²	14	31 Å²	31	9%	0.085	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	160.4	-177.5	-56.6	0	0	0	0	111.3	P65 L66 H140 L143	P65-V145 HydrophobicContact CB-CB 4.47Å; P65-V145 HydrophobicContact CB-CG2 4.44Å; L66-V145 HydrophobicContact CD1-CG1 3.84Å; L66-V145 HydrophobicContact CD2-CG1 3.83Å; L66-V145 HydrophobicContact CG-CB 4.48Å; L66-V145 HydrophobicContact CG-CG1 3.65Å; H140-V145 HydrophobicContact CB-CG2 4.45Å; H140-V145 WeakPolarHBondContact CB-O 3.28Å; H140-V145 PolarHBondContact N-O 2.98Å; L143-V145 VanDerWaalsContact C-N 3.31Å; L143-V145 HydrophobicContact CB-CG2 3.87Å; L143-V145 HydrophobicContact CD1-CG2 4.45Å; L143-V145 PolarHBondContact O-N 3.05Å
146	A	98	Very high	97.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	144.6	171.1	0	0	0	0	0	112	F63 P65 T133 V138	F63-A146 HydrophobicContact CB-CB 3.81Å; F63-A146 HydrophobicContact CD1-CB 4.31Å; F63-A146 HydrophobicContact CG-CB 4.5Å; P65-A146 VanDerWaalsContact CA-O 3.28Å; P65-A146 WeakPolarHBondContact CA-O 3.25Å; P65-A146 WeakPolarHBondContact CG-O 3.27Å; T133-A146 HydrophobicContact CG2-CB 3.47Å; T133-A146 VanDerWaalsContact CG2-CB 3.47Å; V138-A146 CarbonylContact O-C 3.57Å; V138-A146 WeakPolarHBondContact O-CA 3.49Å
147	L	97.8	Very high	97.6	Very high	41 Å²	41	36.2 Å²	36.2	22%	0.215	21%	0.209	C	C	.	.			trans	-69.2	169	157.7	-63.9	177.4	0	0	0	109.9	V138 H140 G149 I164 L167	V138-L147 HydrophobicContact CB-CB 4.48Å; V138-L147 PolarHBondContact O-N 2.96Å; H140-L147 HydrophobicContact CB-CD2 4.39Å; L147-G149 PolarHBondContact O-N 3.43Å; L147-I164 HydrophobicContact CB-CG2 4.1Å; L147-I164 HydrophobicContact CD1-CG2 4.07Å; L147-L167 HydrophobicContact CD2-CD2 4.13Å; L147-L167 HydrophobicContact CD2-CG 4.45Å
148	R	98.4	Very high	97.7	Very high	10 Å²	10	35.8 Å²	35.8	4%	0.038	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	64.4	175.9	-65.3	-175.3	-169.4	-63.9	-19.5	111.2	P65 E75 N165 L167 V169	P65-R148 HydrophobicContact CG-CG 4.34Å; E75-R148 IonicContact OE2-CZ 3.96Å; E75-R148 IonicContact OE2-NH1 2.75Å; E75-R148 PolarHBondContact OE2-NH1 2.76Å; R148-N165 HydrophobicContact CB-CB 3.92Å; R148-N165 PolarHBondContact N-O 2.83Å; R148-N165 PolarHBondContact O-N 2.93Å; R148-N165 VanDerWaalsContact O-N 3.08Å; R148-L167 PolarHBondContact NE-O 2.84Å; R148-L167 PolarHBondContact NH2-O 2.87Å; R148-V169 VanDerWaalsContact CD-O 3.27Å; R148-V169 WeakPolarHBondContact CD-O 3.38Å
149	G	98.5	Very high	97.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	135.5	176.8	0	0	0	0	0	112.5	F62 F63 L147 T163 R171	F62-G149 CarbonylContact C-O 3.59Å; F62-G149 WeakPolarHBondContact CA-O 3.44Å; F63-G149 PolarHBondContact N-O 3.49Å; L147-G149 PolarHBondContact O-N 3.43Å; G149-T163 CarbonylContact C-O 3.54Å; G149-T163 WeakPolarHBondContact CA-O 3.43Å; G149-R171 VanDerWaalsContact C-NH1 3.33Å; G149-R171 PolarHBondContact O-NH1 2.94Å
150	L	98.8	Very high	97.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.3	174	179.4	151.8	0	0	0	109.1	V60 L61 F62 F79 I152 I162 T163 V176	V60-L150 HydrophobicContact CG1-CD1 3.92Å; V60-L150 HydrophobicContact CG1-CD2 4.33Å; V60-L150 HydrophobicContact CG1-CG 4.05Å; L61-L150 WeakPolarHBondContact O-CA 3.48Å; F62-L150 HydrophobicContact CB-CB 3.98Å; F62-L150 HydrophobicContact CB-CD1 3.99Å; F62-L150 HydrophobicContact CB-CG 3.96Å; F79-L150 HydrophobicContact CE2-CD1 4.49Å; F79-L150 HydrophobicContact CZ-CD1 3.85Å; L150-I152 HydrophobicContact CD2-CG1 4.01Å; L150-I162 CarbonylContact O-C 3.59Å; L150-I162 WeakPolarHBondContact O-CA 3.5Å; L150-T163 PolarHBondContact N-O 3.04Å; L150-T163 PolarHBondContact O-N 3.46Å; L150-V176 HydrophobicContact CD1-CG1 4.36Å; L150-V176 HydrophobicContact CD1-CG2 3.55Å; L150-V176 HydrophobicContact CD2-CG1 4.44Å; L150-V176 HydrophobicContact CD2-CG2 4.11Å
151	F	98.8	Very high	97.8	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.4	-175.9	-58.2	-95.6	0	0	0	109	A27 V60 L61 F63 Y136 V138 I153 I159 Q161 I162	A27-F151 HydrophobicContact CB-CD1 4.08Å; A27-F151 HydrophobicContact CB-CE1 3.52Å; A27-F151 HydrophobicContact CB-CZ 4.33Å; V60-F151 WeakPolarHBondContact CA-O 3.49Å; L61-F151 HydrophobicContact CB-CB 4.5Å; L61-F151 PolarHBondContact N-O 3.19Å; L61-F151 PolarHBondContact O-N 3.5Å; F63-F151 HydrophobicContact CD2-CD2 4.05Å; F63-F151 AromaticContact CD2-CE2 3.71Å; F63-F151 HydrophobicContact CD2-CE2 3.71Å; F63-F151 AromaticContact CE2-CD2 3.82Å; F63-F151 HydrophobicContact CE2-CD2 3.82Å; F63-F151 AromaticContact CE2-CE2 3.61Å; F63-F151 HydrophobicContact CE2-CE2 3.61Å; Y136-F151 AromaticContact CD1-CD1 3.8Å; Y136-F151 HydrophobicContact CD1-CD1 3.8Å; Y136-F151 AromaticContact CD1-CD2 3.67Å; Y136-F151 HydrophobicContact CD1-CD2 3.67Å; Y136-F151 AromaticContact CD1-CE1 3.83Å; Y136-F151 HydrophobicContact CD1-CE1 3.83Å; Y136-F151 AromaticContact CD1-CE2 3.69Å; Y136-F151 HydrophobicContact CD1-CE2 3.69Å; Y136-F151 AromaticContact CD1-CG 3.75Å; Y136-F151 HydrophobicContact CD1-CG 3.75Å; Y136-F151 AromaticContact CD1-CZ 3.78Å; Y136-F151 HydrophobicContact CD1-CZ 3.78Å; Y136-F151 HydrophobicContact CE1-CB 4.46Å; Y136-F151 HydrophobicContact CE1-CD1 4.28Å; Y136-F151 HydrophobicContact CE1-CD2 4.28Å; Y136-F151 HydrophobicContact CE1-CG 4.08Å; Y136-F151 HydrophobicContact CG-CE2 4.27Å; Y136-F151 HydrophobicContact CG-CZ 4.32Å; Y136-F151 WeakPolarHBondContact O-CZ 3.38Å; V138-F151 HydrophobicContact CG1-CE2 4.09Å; V138-F151 HydrophobicContact CG1-CZ 3.79Å; F151-I153 HydrophobicContact CB-CG1 4.45Å; F151-I159 HydrophobicContact CD1-CD1 4.3Å; F151-I159 HydrophobicContact CD1-CG2 4.48Å; F151-Q161 WeakPolarHBondContact CA-O 3.1Å; F151-I162 HydrophobicContact CD1-CB 4.41Å; F151-I162 HydrophobicContact CD1-CD1 4.17Å; F151-I162 HydrophobicContact CD1-CG1 3.71Å; F151-I162 HydrophobicContact CD1-CG2 4.19Å; F151-I162 HydrophobicContact CE1-CB 4.36Å; F151-I162 HydrophobicContact CE1-CD1 3.91Å; F151-I162 HydrophobicContact CE1-CG1 3.84Å; F151-I162 HydrophobicContact CE1-CG2 3.73Å; F151-I162 HydrophobicContact CZ-CG2 4.22Å
152	I	98.9	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.2	168.2	-57.3	176	0	0	0	107.3	Y58 L150 R160 Q161 L179 V180 F183	Y58-I152 HydrophobicContact CD1-CG2 3.98Å; Y58-I152 HydrophobicContact CE1-CG2 4.2Å; L150-I152 HydrophobicContact CD2-CG1 4.01Å; I152-R160 PolarHBondContact O-N 2.94Å; I152-Q161 HydrophobicContact CB-CB 4.02Å; I152-Q161 HydrophobicContact CD1-CB 4.03Å; I152-Q161 HydrophobicContact CD1-CG 4.41Å; I152-Q161 HydrophobicContact CG1-CB 4.18Å; I152-Q161 PolarHBondContact N-O 2.93Å; I152-Q161 PolarHBondContact O-N 3.09Å; I152-L179 HydrophobicContact CD1-CB 3.54Å; I152-L179 HydrophobicContact CD1-CD1 4.2Å; I152-V180 HydrophobicContact CD1-CG2 4.08Å; I152-V180 HydrophobicContact CG1-CG2 4.47Å; I152-V180 HydrophobicContact CG2-CG2 4.09Å; I152-F183 HydrophobicContact CG2-CD2 4.4Å
153	I	98.8	Very high	98.1	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.2	-177.7	-56.9	164.7	0	0	0	107.7	A33 L51 Y58 L59 L61 Y136 F151 I158 I159	A33-I153 HydrophobicContact CB-CD1 3.68Å; A33-I153 HydrophobicContact CB-CG1 3.96Å; A33-I153 HydrophobicContact CB-CG2 4.07Å; L51-I153 HydrophobicContact CD1-CD1 4.24Å; Y58-I153 CarbonylContact C-O 3.52Å; Y58-I153 WeakPolarHBondContact CA-O 3.28Å; L59-I153 HydrophobicContact CB-CB 4.26Å; L59-I153 HydrophobicContact CD2-CD1 4.01Å; L59-I153 HydrophobicContact CG-CD1 4.41Å; L59-I153 PolarHBondContact N-O 2.67Å; L59-I153 PolarHBondContact O-N 2.64Å; L61-I153 HydrophobicContact CB-CD1 4.21Å; Y136-I153 HydrophobicContact CE1-CD1 4.49Å; F151-I153 HydrophobicContact CB-CG1 4.45Å; I153-I158 CarbonylContact C-O 3.59Å; I153-I158 WeakPolarHBondContact CA-O 3.3Å; I153-I159 HydrophobicContact CG1-CG1 4.36Å
154	S	98.5	Very high	98.2	Very high	3 Å²	3	27 Å²	27	2%	0.021	15%	0.154	C	C	.	.			trans	-76.1	169.2	178.9	46.7	0	0	0	0	112.5	D156 G157 I158 R160	S154-D156 VanDerWaalsContact CB-OD1 3.27Å; S154-D156 WeakPolarHBondContact CB-OD1 3.28Å; S154-D156 PolarHBondContact O-N 3.03Å; S154-D156 VanDerWaalsContact O-N 3.09Å; S154-D156 PolarHBondContact OG-OD1 3.46Å; S154-G157 PolarHBondContact O-N 2.77Å; S154-I158 PolarHBondContact N-O 2.94Å; S154-I158 PolarHBondContact OG-O 2.97Å; S154-I158 VanDerWaalsContact OG-O 3.08Å; S154-R160 WeakPolarHBondContact OG-CD 3.47Å
155	A	97.8	Very high	98.3	Very high	40 Å²	40	27.7 Å²	27.7	33%	0.331	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24	-177.5	0	0	0	0	0	115.2	G56 K57 Y58	G56-A155 WeakPolarHBondContact CA-O 3.38Å; G56-A155 PolarHBondContact N-O 3.46Å; K57-A155 WeakPolarHBondContact O-CA 3.46Å; Y58-A155 HydrophobicContact CD2-CB 4.47Å
156	D	97	Very high	98.3	Very high	113 Å²	113	32.2 Å²	32.2	60%	0.604	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	5.9	175.2	62.9	-16.9	0	0	0	113.6	S154 I158	S154-D156 VanDerWaalsContact CB-OD1 3.27Å; S154-D156 WeakPolarHBondContact CB-OD1 3.28Å; S154-D156 PolarHBondContact O-N 3.03Å; S154-D156 VanDerWaalsContact O-N 3.09Å; S154-D156 PolarHBondContact OG-OD1 3.46Å; D156-I158 WeakPolarHBondContact OD2-CG1 3.42Å
157	G	97.9	Very high	98.1	Very high	23 Å²	23	34.8 Å²	34.8	24%	0.237	19%	0.19	C	C	.	.	S	Bend	trans	82.4	15.2	176.1	0	0	0	0	0	114.7	P32 A33 S154	P32-G157 CarbonylContact C-O 3.51Å; P32-G157 WeakPolarHBondContact CA-O 3.26Å; A33-G157 PolarHBondContact N-O 3.11Å; S154-G157 PolarHBondContact O-N 2.77Å
158	I	98.4	Very high	98	Very high	37 Å²	37	37.2 Å²	37.2	19%	0.19	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-92.3	134.8	-179.9	-56.7	-58.6	0	0	0	111	P32 I153 S154 D156 R160	P32-I158 HydrophobicContact CB-CD1 4.41Å; P32-I158 HydrophobicContact CG-CD1 3.96Å; I153-I158 CarbonylContact C-O 3.59Å; I153-I158 WeakPolarHBondContact CA-O 3.3Å; S154-I158 PolarHBondContact N-O 2.94Å; S154-I158 PolarHBondContact OG-O 2.97Å; S154-I158 VanDerWaalsContact OG-O 3.08Å; D156-I158 WeakPolarHBondContact OD2-CG1 3.42Å; I158-R160 PolarHBondContact O-N 3.05Å
159	I	98.7	Very high	97.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	121.8	172.8	-60.1	-179.5	0	0	0	109.2	A27 V29 Q30 R31 A33 F151 I153 I162	A27-I159 HydrophobicContact CB-CD1 3.49Å; A27-I159 VanDerWaalsContact CB-CD1 3.49Å; V29-I159 CarbonylContact C-O 3.52Å; V29-I159 WeakPolarHBondContact CA-O 3.45Å; V29-I159 HydrophobicContact CG2-CG2 4.23Å; Q30-I159 PolarHBondContact N-O 3.39Å; R31-I159 PolarHBondContact O-N 3.11Å; A33-I159 HydrophobicContact CB-CD1 4.12Å; A33-I159 HydrophobicContact CB-CG1 3.7Å; F151-I159 HydrophobicContact CD1-CD1 4.3Å; F151-I159 HydrophobicContact CD1-CG2 4.48Å; I153-I159 HydrophobicContact CG1-CG1 4.36Å; I159-I162 HydrophobicContact CG2-CD1 4.11Å; I159-I162 HydrophobicContact CG2-CG1 3.73Å
160	R	98.6	Very high	97.8	Very high	58 Å²	58	42.5 Å²	42.5	22%	0.219	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-28.6	179.8	-52.4	-54.1	-73	-100.2	-8.4	112.5	I152 S154 I158 F183 D187	I152-R160 PolarHBondContact O-N 2.94Å; S154-R160 WeakPolarHBondContact OG-CD 3.47Å; I158-R160 PolarHBondContact O-N 3.05Å; R160-F183 HydrophobicContact CB-CD1 3.95Å; R160-F183 HydrophobicContact CB-CD2 4Å; R160-F183 HydrophobicContact CB-CE1 3.87Å; R160-F183 HydrophobicContact CB-CE2 3.95Å; R160-F183 HydrophobicContact CB-CG 4.02Å; R160-F183 HydrophobicContact CB-CZ 3.87Å; R160-F183 WeakPolarHBondContact O-CZ 3.4Å; R160-D187 IonicContact CZ-OD1 3.75Å; R160-D187 IonicContact NH1-OD1 2.71Å; R160-D187 PolarHBondContact NH1-OD1 3.31Å; R160-D187 VanDerWaalsContact NH1-OD1 3.14Å; R160-D187 IonicContact NH1-OD2 3.44Å; R160-D187 IonicContact NH2-OD1 2.9Å; R160-D187 PolarHBondContact NH2-OD1 3.25Å
161	Q	98.7	Very high	97.8	Very high	30 Å²	30	44 Å²	44	14%	0.14	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	147.3	-176.1	-164.1	-83.3	-24.4	0	0	111.3	F151 I152 T163 L179 F183	F151-Q161 WeakPolarHBondContact CA-O 3.1Å; I152-Q161 HydrophobicContact CB-CB 4.02Å; I152-Q161 HydrophobicContact CD1-CB 4.03Å; I152-Q161 HydrophobicContact CD1-CG 4.41Å; I152-Q161 HydrophobicContact CG1-CB 4.18Å; I152-Q161 PolarHBondContact N-O 2.93Å; I152-Q161 PolarHBondContact O-N 3.09Å; Q161-T163 PolarHBondContact NE2-OG1 3.45Å; Q161-T163 PolarHBondContact OE1-OG1 2.86Å; Q161-L179 HydrophobicContact CG-CD1 4.04Å; Q161-F183 HydrophobicContact CB-CE2 3.68Å; Q161-F183 HydrophobicContact CB-CZ 4Å; Q161-F183 HydrophobicContact CG-CE2 4.28Å
162	I	98.5	Very high	97.8	Very high	49 Å²	49	46.7 Å²	46.7	25%	0.251	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.3	175.1	-55.9	177.9	0	0	0	108.4	A27 V29 L150 F151 I159 I164	A27-I162 HydrophobicContact CB-CD1 4.49Å; V29-I162 HydrophobicContact CG2-CD1 3.99Å; V29-I162 HydrophobicContact CG2-CG1 3.86Å; L150-I162 CarbonylContact O-C 3.59Å; L150-I162 WeakPolarHBondContact O-CA 3.5Å; F151-I162 HydrophobicContact CD1-CB 4.41Å; F151-I162 HydrophobicContact CD1-CD1 4.17Å; F151-I162 HydrophobicContact CD1-CG1 3.71Å; F151-I162 HydrophobicContact CD1-CG2 4.19Å; F151-I162 HydrophobicContact CE1-CB 4.36Å; F151-I162 HydrophobicContact CE1-CD1 3.91Å; F151-I162 HydrophobicContact CE1-CG1 3.84Å; F151-I162 HydrophobicContact CE1-CG2 3.73Å; F151-I162 HydrophobicContact CZ-CG2 4.22Å; I159-I162 HydrophobicContact CG2-CD1 4.11Å; I159-I162 HydrophobicContact CG2-CG1 3.73Å; I162-I164 HydrophobicContact CG2-CD1 4Å; I162-I164 HydrophobicContact CG2-CG1 3.86Å
163	T	98.6	Very high	97.8	Very high	38 Å²	38	47.3 Å²	47.3	23%	0.233	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.8	166.9	-61.3	0	0	0	0	108.5	G149 L150 Q161 N165	G149-T163 CarbonylContact C-O 3.54Å; G149-T163 WeakPolarHBondContact CA-O 3.43Å; L150-T163 PolarHBondContact N-O 3.04Å; L150-T163 PolarHBondContact O-N 3.46Å; Q161-T163 PolarHBondContact NE2-OG1 3.45Å; Q161-T163 PolarHBondContact OE1-OG1 2.86Å; T163-N165 WeakPolarHBondContact CG2-OD1 3.21Å
164	I	98.2	Very high	97.7	Very high	85 Å²	85	51.9 Å²	51.9	44%	0.436	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	109.1	172.9	-58	171.2	0	0	0	107.8	V138 L147 I162	V138-I164 HydrophobicContact CG1-CD1 3.91Å; V138-I164 HydrophobicContact CG1-CG1 4.11Å; L147-I164 HydrophobicContact CB-CG2 4.1Å; L147-I164 HydrophobicContact CD1-CG2 4.07Å; I162-I164 HydrophobicContact CG2-CD1 4Å; I162-I164 HydrophobicContact CG2-CG1 3.86Å
165	N	98.2	Very high	97.7	Very high	35 Å²	35	55.3 Å²	55.3	19%	0.187	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	148.4	171.3	-71.4	18.7	0	0	0	110.1	R148 T163 V169 G170	R148-N165 HydrophobicContact CB-CB 3.92Å; R148-N165 PolarHBondContact N-O 2.83Å; R148-N165 PolarHBondContact O-N 2.93Å; R148-N165 VanDerWaalsContact O-N 3.08Å; T163-N165 WeakPolarHBondContact CG2-OD1 3.21Å; N165-V169 WeakPolarHBondContact CB-O 3.48Å; N165-V169 PolarHBondContact ND2-O 3.32Å; N165-G170 PolarHBondContact ND2-O 3.09Å
166	D	96.5	Very high	97.8	Very high	110 Å²	110	53.7 Å²	53.7	59%	0.588	30%	0.303	S	S	*	.			trans	-64.5	163	163.1	-167	12.6	0	0	0	110.5	V169	D166-V169 PolarHBondContact O-N 3.44Å
167	L	94.4	Very high	97.8	Very high	53 Å²	53	48.4 Å²	48.4	28%	0.277	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-39.6	-173.3	-58.7	179	0	0	0	115.7	P65 L143 L147 R148 V169	P65-L167 HydrophobicContact CB-CD2 4.15Å; P65-L167 HydrophobicContact CG-CD2 3.54Å; L143-L167 HydrophobicContact CD1-CD1 4.08Å; L147-L167 HydrophobicContact CD2-CD2 4.13Å; L147-L167 HydrophobicContact CD2-CG 4.45Å; R148-L167 PolarHBondContact NE-O 2.84Å; R148-L167 PolarHBondContact NH2-O 2.87Å; L167-V169 PolarHBondContact O-N 2.79Å
168	P	96	Very high	97.9	Very high	93 Å²	93	48.9 Å²	48.9	60%	0.604	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.3	-171.8	30.7	-33.3	0	0	0	114.9
169	V	96.6	Very high	97.9	Very high	86 Å²	86	48.2 Å²	48.2	52%	0.521	27%	0.266	S	S	.	.			trans	-119.6	115.4	-172.3	-175.3	0	0	0	0	111.9	R148 N165 D166 L167	R148-V169 VanDerWaalsContact CD-O 3.27Å; R148-V169 WeakPolarHBondContact CD-O 3.38Å; N165-V169 WeakPolarHBondContact CB-O 3.48Å; N165-V169 PolarHBondContact ND2-O 3.32Å; D166-V169 PolarHBondContact O-N 3.44Å; L167-V169 PolarHBondContact O-N 2.79Å
170	G	96.5	Very high	97.9	Very high	34 Å²	34	48.2 Å²	48.2	35%	0.351	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-69	160.3	175	0	0	0	0	0	113.8	E75 N165	E75-G170 WeakPolarHBondContact OE1-CA 3.48Å; N165-G170 PolarHBondContact ND2-O 3.09Å
171	R	98.5	Very high	97.9	Very high	32 Å²	32	48.7 Å²	48.7	12%	0.121	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-89.3	164.5	177.4	-68.9	161.5	-72.6	-159.4	-5.8	111.8	F63 E75 G149	F63-R171 VanDerWaalsContact O-CZ 3.3Å; F63-R171 PolarHBondContact O-NH1 3.09Å; F63-R171 PolarHBondContact O-NH2 3.09Å; E75-R171 VanDerWaalsContact CD-NH2 3.33Å; E75-R171 WeakPolarHBondContact OE1-CB 3.39Å; E75-R171 IonicContact OE1-CZ 3.91Å; E75-R171 PolarHBondContact OE1-N 3.2Å; E75-R171 IonicContact OE1-NE 3.33Å; E75-R171 PolarHBondContact OE1-NE 2.87Å; E75-R171 IonicContact OE1-NH2 2.88Å; E75-R171 PolarHBondContact OE1-NH2 3.42Å; E75-R171 IonicContact OE2-CZ 3.78Å; E75-R171 IonicContact OE2-NE 3.73Å; E75-R171 IonicContact OE2-NH2 3.05Å; E75-R171 PolarHBondContact OE2-NH2 2.84Å; G149-R171 VanDerWaalsContact C-NH1 3.33Å; G149-R171 PolarHBondContact O-NH1 2.94Å
172	S	98.4	Very high	97.8	Very high	59 Å²	59	47.7 Å²	47.7	41%	0.413	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-102.9	123.1	177.4	173.8	0	0	0	0	111.4	D174 E175 V176	S172-D174 VanDerWaalsContact C-N 3.32Å; S172-D174 PolarHBondContact OG-N 3.47Å; S172-E175 PolarHBondContact OG-N 2.87Å; S172-V176 WeakPolarHBondContact O-CG2 3.27Å; S172-V176 PolarHBondContact O-N 2.89Å
173	V	98.5	Very high	97.8	Very high	12 Å²	12	47.4 Å²	47.4	7%	0.073	26%	0.262	C	S	.	.	H	α-helix	trans	-66.9	-35.5	174.2	-179.6	0	0	0	0	111.1	A78 F79 R82 F86 E175 V176 L177	A78-V173 HydrophobicContact CB-CG2 3.83Å; F79-V173 HydrophobicContact CD1-CG1 4.39Å; F79-V173 HydrophobicContact CD1-CG2 4.36Å; F79-V173 HydrophobicContact CD2-CG2 4.12Å; F79-V173 HydrophobicContact CE1-CG1 4.44Å; F79-V173 HydrophobicContact CE1-CG2 4.4Å; F79-V173 HydrophobicContact CE2-CG2 4.15Å; F79-V173 HydrophobicContact CG-CG2 4.22Å; F79-V173 HydrophobicContact CZ-CG2 4.29Å; R82-V173 HydrophobicContact CB-CG1 4.39Å; F86-V173 HydrophobicContact CE2-CG1 3.78Å; F86-V173 HydrophobicContact CZ-CG1 3.86Å; V173-E175 VanDerWaalsContact C-N 3.35Å; V173-E175 PolarHBondContact O-N 3.11Å; V173-V176 PolarHBondContact O-N 3.31Å; V173-L177 HydrophobicContact CG1-CD1 4.18Å; V173-L177 PolarHBondContact O-N 3.01Å
174	D	98.3	Very high	97.8	Very high	100 Å²	100	47.7 Å²	47.7	54%	0.535	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-41.4	178.2	-67.3	-54.1	0	0	0	112.1	R82 S172 V176 L177 R178	R82-D174 IonicContact CZ-OD1 3.41Å; R82-D174 VanDerWaalsContact CZ-OD1 3.24Å; R82-D174 VanDerWaalsContact NH1-CG 3.27Å; R82-D174 IonicContact NH1-OD1 2.79Å; R82-D174 PolarHBondContact NH1-OD1 3.4Å; R82-D174 IonicContact NH1-OD2 2.73Å; R82-D174 PolarHBondContact NH1-OD2 3.32Å; R82-D174 IonicContact NH2-OD1 2.67Å; R82-D174 PolarHBondContact NH2-OD1 3.1Å; S172-D174 VanDerWaalsContact C-N 3.32Å; S172-D174 PolarHBondContact OG-N 3.47Å; D174-V176 VanDerWaalsContact C-N 3.34Å; D174-L177 PolarHBondContact O-N 2.86Å; D174-R178 WeakPolarHBondContact O-CB 3.49Å; D174-R178 PolarHBondContact O-N 2.98Å
175	E	98.5	Very high	97.8	Very high	74 Å²	74	46.5 Å²	46.5	35%	0.346	25%	0.251	S	S	.	.	H	α-helix	trans	-67.8	-38	178.5	178	56.1	-168.2	0	0	111.5	S172 V173 R178 L179	S172-E175 PolarHBondContact OG-N 2.87Å; V173-E175 VanDerWaalsContact C-N 3.35Å; V173-E175 PolarHBondContact O-N 3.11Å; E175-R178 PolarHBondContact O-N 2.82Å; E175-R178 IonicContact OE1-CZ 3.07Å; E175-R178 IonicContact OE1-NE 3.91Å; E175-R178 PolarHBondContact OE1-NE 2.93Å; E175-R178 IonicContact OE1-NH2 3.82Å; E175-R178 PolarHBondContact OE1-NH2 3.21Å; E175-R178 IonicContact OE2-CZ 3.27Å; E175-R178 IonicContact OE2-NE 3.95Å; E175-R178 PolarHBondContact OE2-NE 3.31Å; E175-R178 IonicContact OE2-NH2 3.57Å; E175-L179 HydrophobicContact CG-CD1 4.01Å; E175-L179 HydrophobicContact CG-CG 4.47Å; E175-L179 WeakPolarHBondContact O-CB 3.34Å; E175-L179 VanDerWaalsContact O-CG 3.29Å; E175-L179 WeakPolarHBondContact O-CG 3.13Å; E175-L179 PolarHBondContact O-N 3.38Å; E175-L179 WeakPolarHBondContact OE1-CG 3.41Å
176	V	98.5	Very high	97.8	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.036	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-44.7	176.5	178.8	0	0	0	0	110.6	V60 F79 F86 L150 S172 V173 D174 R178 L179 V180	V60-V176 HydrophobicContact CG1-CG1 3.97Å; V60-V176 HydrophobicContact CG2-CG1 3.81Å; F79-V176 HydrophobicContact CE1-CB 4.41Å; F79-V176 HydrophobicContact CE1-CG1 4.18Å; F79-V176 HydrophobicContact CZ-CB 4.42Å; F79-V176 HydrophobicContact CZ-CG1 4.43Å; F79-V176 HydrophobicContact CZ-CG2 4.12Å; F86-V176 HydrophobicContact CE1-CG1 3.93Å; F86-V176 HydrophobicContact CZ-CG1 4.32Å; L150-V176 HydrophobicContact CD1-CG1 4.36Å; L150-V176 HydrophobicContact CD1-CG2 3.55Å; L150-V176 HydrophobicContact CD2-CG1 4.44Å; L150-V176 HydrophobicContact CD2-CG2 4.11Å; S172-V176 WeakPolarHBondContact O-CG2 3.27Å; S172-V176 PolarHBondContact O-N 2.89Å; V173-V176 PolarHBondContact O-N 3.31Å; D174-V176 VanDerWaalsContact C-N 3.34Å; V176-R178 VanDerWaalsContact C-N 3.34Å; V176-R178 PolarHBondContact O-N 3.03Å; V176-L179 PolarHBondContact O-N 3.31Å; V176-V180 WeakPolarHBondContact O-CB 3.45Å; V176-V180 WeakPolarHBondContact O-CG2 3.34Å; V176-V180 PolarHBondContact O-N 3.34Å
177	L	98.3	Very high	97.8	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-41.6	174.4	-78.3	164.6	0	0	0	112.1	E85 F86 V173 D174 R181	E85-L177 HydrophobicContact CB-CD1 4.11Å; E85-L177 HydrophobicContact CB-CD2 4.03Å; E85-L177 WeakPolarHBondContact OE2-CD1 3.44Å; F86-L177 HydrophobicContact CD1-CD2 3.89Å; F86-L177 HydrophobicContact CD2-CD2 4.14Å; F86-L177 HydrophobicContact CE1-CD2 3.74Å; F86-L177 HydrophobicContact CE1-CG 3.94Å; F86-L177 HydrophobicContact CE2-CD1 4.29Å; F86-L177 HydrophobicContact CE2-CD2 4Å; F86-L177 HydrophobicContact CE2-CG 4.03Å; F86-L177 HydrophobicContact CG-CD2 4.09Å; F86-L177 HydrophobicContact CZ-CD1 4.3Å; F86-L177 HydrophobicContact CZ-CD2 3.8Å; F86-L177 HydrophobicContact CZ-CG 3.63Å; V173-L177 HydrophobicContact CG1-CD1 4.18Å; V173-L177 PolarHBondContact O-N 3.01Å; D174-L177 PolarHBondContact O-N 2.86Å; L177-R181 WeakPolarHBondContact O-CB 3.38Å; L177-R181 WeakPolarHBondContact O-CD 3.25Å; L177-R181 VanDerWaalsContact O-CG 3.26Å; L177-R181 WeakPolarHBondContact O-CG 3.39Å; L177-R181 PolarHBondContact O-N 3.18Å
178	R	98.5	Very high	98	Very high	33 Å²	33	49.8 Å²	49.8	13%	0.125	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-47.3	176.7	-169.4	-165.6	71.3	75.9	2.4	111.4	D174 E175 V176 R181 A182 W197	D174-R178 WeakPolarHBondContact O-CB 3.49Å; D174-R178 PolarHBondContact O-N 2.98Å; E175-R178 PolarHBondContact O-N 2.82Å; E175-R178 IonicContact OE1-CZ 3.07Å; E175-R178 IonicContact OE1-NE 3.91Å; E175-R178 PolarHBondContact OE1-NE 2.93Å; E175-R178 IonicContact OE1-NH2 3.82Å; E175-R178 PolarHBondContact OE1-NH2 3.21Å; E175-R178 IonicContact OE2-CZ 3.27Å; E175-R178 IonicContact OE2-NE 3.95Å; E175-R178 PolarHBondContact OE2-NE 3.31Å; E175-R178 IonicContact OE2-NH2 3.57Å; V176-R178 VanDerWaalsContact C-N 3.34Å; V176-R178 PolarHBondContact O-N 3.03Å; R178-R181 PolarHBondContact O-N 3.46Å; R178-A182 WeakPolarHBondContact O-CB 3.44Å; R178-A182 PolarHBondContact O-N 3.14Å; R178-W197 VanDerWaalsContact CD-O 3.29Å; R178-W197 WeakPolarHBondContact CD-O 3.32Å; R178-W197 VanDerWaalsContact CG-O 3.28Å; R178-W197 WeakPolarHBondContact CG-O 3.3Å; R178-W197 PolarHBondContact NH1-O 3.19Å; R178-W197 VanDerWaalsContact NH1-O 3.09Å
179	L	98.7	Very high	98	Very high	23 Å²	23	51.2 Å²	51.2	12%	0.12	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-46.2	179.4	-73	166.4	0	0	0	112.1	I152 Q161 E175 V176 R181 A182 F183	I152-L179 HydrophobicContact CD1-CB 3.54Å; I152-L179 HydrophobicContact CD1-CD1 4.2Å; Q161-L179 HydrophobicContact CG-CD1 4.04Å; E175-L179 HydrophobicContact CG-CD1 4.01Å; E175-L179 HydrophobicContact CG-CG 4.47Å; E175-L179 WeakPolarHBondContact O-CB 3.34Å; E175-L179 VanDerWaalsContact O-CG 3.29Å; E175-L179 WeakPolarHBondContact O-CG 3.13Å; E175-L179 PolarHBondContact O-N 3.38Å; E175-L179 WeakPolarHBondContact OE1-CG 3.41Å; V176-L179 PolarHBondContact O-N 3.31Å; L179-R181 PolarHBondContact O-N 2.95Å; L179-A182 WeakPolarHBondContact O-CB 3.44Å; L179-A182 PolarHBondContact O-N 3.31Å; L179-F183 HydrophobicContact CB-CE2 4.41Å; L179-F183 WeakPolarHBondContact O-CD2 3.48Å; L179-F183 PolarHBondContact O-N 3.38Å
180	V	98.4	Very high	98	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55.4	-51	175.7	164.1	0	0	0	0	110.8	V60 V91 I152 V176 A182 F183 Q184	V60-V180 HydrophobicContact CG2-CG2 4.07Å; V91-V180 HydrophobicContact CB-CG1 4.42Å; V91-V180 HydrophobicContact CG1-CG1 4.49Å; V91-V180 HydrophobicContact CG1-CG2 4.49Å; V91-V180 HydrophobicContact CG2-CG1 3.33Å; I152-V180 HydrophobicContact CD1-CG2 4.08Å; I152-V180 HydrophobicContact CG1-CG2 4.47Å; I152-V180 HydrophobicContact CG2-CG2 4.09Å; V176-V180 WeakPolarHBondContact O-CB 3.45Å; V176-V180 WeakPolarHBondContact O-CG2 3.34Å; V176-V180 PolarHBondContact O-N 3.34Å; V180-A182 VanDerWaalsContact C-N 3.29Å; V180-A182 PolarHBondContact O-N 2.67Å; V180-F183 PolarHBondContact O-N 3.19Å; V180-Q184 WeakPolarHBondContact O-CG 3.28Å; V180-Q184 PolarHBondContact O-N 2.88Å
181	R	98.2	Very high	98.1	Very high	68 Å²	68	49.7 Å²	49.7	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-37.7	178.4	-71.8	169.9	171.3	151.9	3.8	112.2	E89 L177 R178 L179 Y185 W197 P199	E89-R181 IonicContact OE1-CZ 2.71Å; E89-R181 IonicContact OE1-NE 3.74Å; E89-R181 PolarHBondContact OE1-NE 2.95Å; E89-R181 IonicContact OE1-NH2 3.44Å; E89-R181 PolarHBondContact OE1-NH2 3.45Å; L177-R181 WeakPolarHBondContact O-CB 3.38Å; L177-R181 WeakPolarHBondContact O-CD 3.25Å; L177-R181 VanDerWaalsContact O-CG 3.26Å; L177-R181 WeakPolarHBondContact O-CG 3.39Å; L177-R181 PolarHBondContact O-N 3.18Å; R178-R181 PolarHBondContact O-N 3.46Å; L179-R181 PolarHBondContact O-N 2.95Å; R181-Y185 WeakPolarHBondContact O-CB 3.29Å; R181-Y185 PolarHBondContact O-N 2.79Å; R181-W197 HydrophobicContact CB-CZ3 4.3Å; R181-P199 HydrophobicContact CB-CG 4.47Å
182	A	98.6	Very high	98	Very high	9 Å²	9	51.2 Å²	51.2	7%	0.074	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-49.1	176.4	0	0	0	0	0	111.2	R178 L179 V180 Q184 Y185 T186 C193 W197	R178-A182 WeakPolarHBondContact O-CB 3.44Å; R178-A182 PolarHBondContact O-N 3.14Å; L179-A182 WeakPolarHBondContact O-CB 3.44Å; L179-A182 PolarHBondContact O-N 3.31Å; V180-A182 VanDerWaalsContact C-N 3.29Å; V180-A182 PolarHBondContact O-N 2.67Å; A182-Q184 PolarHBondContact O-N 3.16Å; A182-Y185 WeakPolarHBondContact O-CB 3.5Å; A182-Y185 PolarHBondContact O-N 2.94Å; A182-T186 WeakPolarHBondContact O-CG2 3.5Å; A182-T186 PolarHBondContact O-N 2.94Å; A182-C193 HydrophobicContact CB-CB 4.42Å; A182-W197 VanDerWaalsContact CA-CZ3 3.46Å; A182-W197 HydrophobicContact CB-CE3 3.72Å; A182-W197 HydrophobicContact CB-CZ3 3.81Å
183	F	98.6	Very high	98	Very high	43 Å²	43	50 Å²	50	19%	0.189	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-45.4	178.3	-73.4	-61.9	0	0	0	112.2	Y58 I152 R160 Q161 L179 V180 Y185 T186 D187	Y58-F183 HydrophobicContact CE1-CB 3.98Å; Y58-F183 WeakPolarHBondContact OH-CB 3.35Å; I152-F183 HydrophobicContact CG2-CD2 4.4Å; R160-F183 HydrophobicContact CB-CD1 3.95Å; R160-F183 HydrophobicContact CB-CD2 4Å; R160-F183 HydrophobicContact CB-CE1 3.87Å; R160-F183 HydrophobicContact CB-CE2 3.95Å; R160-F183 HydrophobicContact CB-CG 4.02Å; R160-F183 HydrophobicContact CB-CZ 3.87Å; R160-F183 WeakPolarHBondContact O-CZ 3.4Å; Q161-F183 HydrophobicContact CB-CE2 3.68Å; Q161-F183 HydrophobicContact CB-CZ 4Å; Q161-F183 HydrophobicContact CG-CE2 4.28Å; L179-F183 HydrophobicContact CB-CE2 4.41Å; L179-F183 WeakPolarHBondContact O-CD2 3.48Å; L179-F183 PolarHBondContact O-N 3.38Å; V180-F183 PolarHBondContact O-N 3.19Å; F183-Y185 VanDerWaalsContact C-N 3.29Å; F183-Y185 PolarHBondContact O-N 2.81Å; F183-T186 PolarHBondContact O-N 3.47Å; F183-T186 VanDerWaalsContact O-N 3.15Å; F183-T186 PolarHBondContact O-OG1 3.36Å; F183-D187 WeakPolarHBondContact O-CB 3.35Å; F183-D187 PolarHBondContact O-N 2.99Å
184	Q	98.1	Very high	98	Very high	44 Å²	44	50.7 Å²	50.7	21%	0.206	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-38.1	175.3	-71.6	178.8	-23.8	0	0	112.5	Y58 E89 V180 A182 K188	Y58-Q184 HydrophobicContact CD2-CG 4.03Å; Y58-Q184 HydrophobicContact CE1-CG 4.49Å; Y58-Q184 HydrophobicContact CE2-CG 3.79Å; Y58-Q184 HydrophobicContact CG-CG 4.48Å; E89-Q184 PolarHBondContact O-NE2 3.15Å; V180-Q184 WeakPolarHBondContact O-CG 3.28Å; V180-Q184 PolarHBondContact O-N 2.88Å; A182-Q184 PolarHBondContact O-N 3.16Å; Q184-K188 WeakPolarHBondContact O-CB 3.36Å; Q184-K188 PolarHBondContact O-N 3.14Å; Q184-K188 VanDerWaalsContact O-N 3.09Å
185	Y	98.2	Very high	98	Very high	60 Å²	60	50.2 Å²	50.2	24%	0.235	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-49.3	173.6	-172.5	-77.8	0	0	0	111	R181 A182 F183 D187 K188 Y189 E191 W197 T203	R181-Y185 WeakPolarHBondContact O-CB 3.29Å; R181-Y185 PolarHBondContact O-N 2.79Å; A182-Y185 WeakPolarHBondContact O-CB 3.5Å; A182-Y185 PolarHBondContact O-N 2.94Å; F183-Y185 VanDerWaalsContact C-N 3.29Å; F183-Y185 PolarHBondContact O-N 2.81Å; Y185-D187 VanDerWaalsContact C-N 3.34Å; Y185-D187 PolarHBondContact O-N 3.28Å; Y185-K188 PolarHBondContact O-N 3.47Å; Y185-Y189 AromaticContact CD1-CD2 3.82Å; Y185-Y189 HydrophobicContact CD1-CD2 3.82Å; Y185-Y189 AromaticContact CD2-CD2 3.55Å; Y185-Y189 HydrophobicContact CD2-CD2 3.55Å; Y185-Y189 AromaticContact CD2-CE2 3.64Å; Y185-Y189 HydrophobicContact CD2-CE2 3.64Å; Y185-Y189 AromaticContact CE1-CD2 3.7Å; Y185-Y189 HydrophobicContact CE1-CD2 3.7Å; Y185-Y189 HydrophobicContact CE1-CG 4.13Å; Y185-Y189 AromaticContact CE2-CD2 3.47Å; Y185-Y189 HydrophobicContact CE2-CD2 3.47Å; Y185-Y189 VanDerWaalsContact CE2-CD2 3.47Å; Y185-Y189 AromaticContact CE2-CE2 3.58Å; Y185-Y189 HydrophobicContact CE2-CE2 3.58Å; Y185-Y189 HydrophobicContact CE2-CG 4.39Å; Y185-Y189 AromaticContact CG-CD2 3.73Å; Y185-Y189 HydrophobicContact CG-CD2 3.73Å; Y185-Y189 HydrophobicContact CG-CE2 4.23Å; Y185-Y189 AromaticContact CZ-CD2 3.55Å; Y185-Y189 WeakPolarHBondContact O-CD2 3.34Å; Y185-Y189 PolarHBondContact O-N 3.13Å; Y185-E191 HydrophobicContact CE1-CB 4.17Å; Y185-E191 PolarHBondContact OH-OE2 2.79Å; Y185-W197 HydrophobicContact CD1-CZ2 4.49Å; Y185-W197 HydrophobicContact CD2-CH2 4.16Å; Y185-W197 AromaticContact CD2-CZ2 3.78Å; Y185-W197 HydrophobicContact CD2-CZ2 3.78Å; Y185-W197 HydrophobicContact CE2-CZ2 4.32Å; Y185-W197 HydrophobicContact CG-CH2 4.14Å; Y185-W197 AromaticContact CG-CZ2 3.88Å; Y185-W197 HydrophobicContact CG-CZ2 3.88Å; Y185-T203 HydrophobicContact CD1-CG2 4.24Å; Y185-T203 HydrophobicContact CE1-CG2 3.57Å
186	T	97.9	Very high	97.9	Very high	34 Å²	34	53.3 Å²	53.3	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-39.1	-179.8	61.9	0	0	0	0	112.5	A182 F183 K188 G190 E191	A182-T186 WeakPolarHBondContact O-CG2 3.5Å; A182-T186 PolarHBondContact O-N 2.94Å; F183-T186 PolarHBondContact O-N 3.47Å; F183-T186 VanDerWaalsContact O-N 3.15Å; F183-T186 PolarHBondContact O-OG1 3.36Å; T186-K188 VanDerWaalsContact C-N 3.32Å; T186-K188 PolarHBondContact O-N 2.53Å; T186-G190 WeakPolarHBondContact O-CA 3.4Å; T186-G190 PolarHBondContact O-N 2.5Å; T186-E191 VanDerWaalsContact CG2-O 3.29Å; T186-E191 WeakPolarHBondContact CG2-O 3.38Å
187	D	97.1	Very high	97.9	Very high	82 Å²	82	53.5 Å²	53.5	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-64.2	-37.4	176.4	-74.5	-5.4	0	0	0	111.6	Y58 R160 F183 Y185	Y58-D187 PolarHBondContact OH-OD2 2.88Å; R160-D187 IonicContact CZ-OD1 3.75Å; R160-D187 IonicContact NH1-OD1 2.71Å; R160-D187 PolarHBondContact NH1-OD1 3.31Å; R160-D187 VanDerWaalsContact NH1-OD1 3.14Å; R160-D187 IonicContact NH1-OD2 3.44Å; R160-D187 IonicContact NH2-OD1 2.9Å; R160-D187 PolarHBondContact NH2-OD1 3.25Å; F183-D187 WeakPolarHBondContact O-CB 3.35Å; F183-D187 PolarHBondContact O-N 2.99Å; Y185-D187 VanDerWaalsContact C-N 3.34Å; Y185-D187 PolarHBondContact O-N 3.28Å
188	K	97	Very high	97.8	Very high	152 Å²	152	58.3 Å²	58.3	66%	0.661	31%	0.309	S	S	*	.	H	α-helix	trans	-79.4	-39.9	-177.4	-176.4	174.4	178.8	-173.5	0	113.7	Q184 Y185 T186	Q184-K188 WeakPolarHBondContact O-CB 3.36Å; Q184-K188 PolarHBondContact O-N 3.14Å; Q184-K188 VanDerWaalsContact O-N 3.09Å; Y185-K188 PolarHBondContact O-N 3.47Å; T186-K188 VanDerWaalsContact C-N 3.32Å; T186-K188 PolarHBondContact O-N 2.53Å
189	Y	97.2	Very high	97.6	Very high	123 Å²	123	59.5 Å²	59.5	48%	0.482	32%	0.321	S	S	.	.	H	α-helix	trans	-109.9	-15.8	-168.5	-62.6	-70.9	0	0	0	114.2	Y185 E191	Y185-Y189 AromaticContact CD1-CD2 3.82Å; Y185-Y189 HydrophobicContact CD1-CD2 3.82Å; Y185-Y189 AromaticContact CD2-CD2 3.55Å; Y185-Y189 HydrophobicContact CD2-CD2 3.55Å; Y185-Y189 AromaticContact CD2-CE2 3.64Å; Y185-Y189 HydrophobicContact CD2-CE2 3.64Å; Y185-Y189 AromaticContact CE1-CD2 3.7Å; Y185-Y189 HydrophobicContact CE1-CD2 3.7Å; Y185-Y189 HydrophobicContact CE1-CG 4.13Å; Y185-Y189 AromaticContact CE2-CD2 3.47Å; Y185-Y189 HydrophobicContact CE2-CD2 3.47Å; Y185-Y189 VanDerWaalsContact CE2-CD2 3.47Å; Y185-Y189 AromaticContact CE2-CE2 3.58Å; Y185-Y189 HydrophobicContact CE2-CE2 3.58Å; Y185-Y189 HydrophobicContact CE2-CG 4.39Å; Y185-Y189 AromaticContact CG-CD2 3.73Å; Y185-Y189 HydrophobicContact CG-CD2 3.73Å; Y185-Y189 HydrophobicContact CG-CE2 4.23Å; Y185-Y189 AromaticContact CZ-CD2 3.55Å; Y185-Y189 WeakPolarHBondContact O-CD2 3.34Å; Y185-Y189 PolarHBondContact O-N 3.13Å; Y189-E191 PolarHBondContact O-N 3.08Å
190	G	96.6	Very high	97.3	Very high	51 Å²	51	68.7 Å²	68.7	53%	0.526	36%	0.36	S	S	.	.			trans	67.3	10.4	-177.5	0	0	0	0	0	114.6	T186 P206	T186-G190 WeakPolarHBondContact O-CA 3.4Å; T186-G190 PolarHBondContact O-N 2.5Å; G190-P206 WeakPolarHBondContact O-CD 3.32Å; G190-P206 WeakPolarHBondContact O-CG 3.47Å
191	E	97.1	Very high	97.2	Very high	37 Å²	37	69.7 Å²	69.7	17%	0.173	37%	0.371	C	S	.	.			trans	-88.7	167.8	168.4	-60.3	-178.4	157.9	0	0	110	Y185 T186 Y189 T203 K205	Y185-E191 HydrophobicContact CE1-CB 4.17Å; Y185-E191 PolarHBondContact OH-OE2 2.79Å; T186-E191 VanDerWaalsContact CG2-O 3.29Å; T186-E191 WeakPolarHBondContact CG2-O 3.38Å; Y189-E191 PolarHBondContact O-N 3.08Å; E191-T203 VanDerWaalsContact OE2-CB 3.31Å; E191-T203 WeakPolarHBondContact OE2-CB 3.37Å; E191-T203 PolarHBondContact OE2-OG1 2.96Å; E191-K205 HydrophobicContact CG-CG 4.07Å; E191-K205 WeakPolarHBondContact OE1-CE 3.35Å
192	V	98	Very high	97.1	Very high	63 Å²	63	68.8 Å²	68.8	38%	0.382	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-113.1	146.1	175.8	-55.6	0	0	0	0	111.7	I204 P206	V192-I204 HydrophobicContact CG2-CB 3.71Å; V192-I204 HydrophobicContact CG2-CD1 4.45Å; V192-I204 HydrophobicContact CG2-CG2 4.37Å; V192-I204 WeakPolarHBondContact CG2-O 3.31Å; V192-I204 PolarHBondContact N-O 3.13Å; V192-I204 PolarHBondContact O-N 2.89Å; V192-P206 HydrophobicContact CG1-CB 4.18Å; V192-P206 HydrophobicContact CG1-CG 4.18Å
193	C	98.3	Very high	97.1	Very high	35 Å²	35	69.6 Å²	69.6	24%	0.236	38%	0.378	C	S	.	.			trans	-90.6	125	179.7	-65.3	0	0	0	0	110.3	A182 W197	A182-C193 HydrophobicContact CB-CB 4.42Å; C193-W197 HydrophobicContact CB-CB 3.76Å; C193-W197 HydrophobicContact CB-CD2 4.02Å; C193-W197 HydrophobicContact CB-CE3 4.47Å; C193-W197 HydrophobicContact CB-CG 3.7Å
194	P	98	Very high	97	Very high	25 Å²	25	69 Å²	69	16%	0.162	38%	0.376	C	S	.	.			trans	-68.9	176.9	174	30.9	-37.6	0	0	0	112.4	W197 P202 I204 Y214	P194-W197 HydrophobicContact CG-CB 4.31Å; P194-W197 VanDerWaalsContact O-CB 3.3Å; P194-W197 WeakPolarHBondContact O-CB 3.27Å; P194-W197 PolarHBondContact O-N 2.85Å; P194-P202 VanDerWaalsContact CD-O 3.25Å; P194-P202 WeakPolarHBondContact CD-O 3.44Å; P194-P202 VanDerWaalsContact CG-O 3.28Å; P194-P202 WeakPolarHBondContact CG-O 2.93Å; P194-I204 HydrophobicContact CB-CD1 4.39Å; P194-Y214 HydrophobicContact CB-CE2 4.34Å; P194-Y214 WeakPolarHBondContact CB-OH 3.49Å; P194-Y214 HydrophobicContact CG-CE2 3.93Å
195	A	97.8	Very high	97	Very high	91 Å²	91	70.3 Å²	70.3	75%	0.752	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	140.6	170.6	0	0	0	0	0	110.9	W197	A195-W197 PolarHBondContact O-N 3.09Å
196	D	96.5	Very high	96.9	Very high	138 Å²	138	71.8 Å²	71.8	74%	0.738	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	21.7	179.6	-50.9	-44.8	0	0	0	115.1	Q198	D196-Q198 PolarHBondContact O-N 3.49Å
197	W	98.3	Very high	96.8	Very high	10 Å²	10	73.6 Å²	73.6	4%	0.038	41%	0.406	C	S	.	.			trans	-56.4	132.4	177	179.8	89.8	0	0	0	111.2	R178 R181 A182 Y185 C193 P194 A195 G201	R178-W197 VanDerWaalsContact CD-O 3.29Å; R178-W197 WeakPolarHBondContact CD-O 3.32Å; R178-W197 VanDerWaalsContact CG-O 3.28Å; R178-W197 WeakPolarHBondContact CG-O 3.3Å; R178-W197 PolarHBondContact NH1-O 3.19Å; R178-W197 VanDerWaalsContact NH1-O 3.09Å; R181-W197 HydrophobicContact CB-CZ3 4.3Å; A182-W197 VanDerWaalsContact CA-CZ3 3.46Å; A182-W197 HydrophobicContact CB-CE3 3.72Å; A182-W197 HydrophobicContact CB-CZ3 3.81Å; Y185-W197 HydrophobicContact CD1-CZ2 4.49Å; Y185-W197 HydrophobicContact CD2-CH2 4.16Å; Y185-W197 AromaticContact CD2-CZ2 3.78Å; Y185-W197 HydrophobicContact CD2-CZ2 3.78Å; Y185-W197 HydrophobicContact CE2-CZ2 4.32Å; Y185-W197 HydrophobicContact CG-CH2 4.14Å; Y185-W197 AromaticContact CG-CZ2 3.88Å; Y185-W197 HydrophobicContact CG-CZ2 3.88Å; C193-W197 HydrophobicContact CB-CB 3.76Å; C193-W197 HydrophobicContact CB-CD2 4.02Å; C193-W197 HydrophobicContact CB-CE3 4.47Å; C193-W197 HydrophobicContact CB-CG 3.7Å; P194-W197 HydrophobicContact CG-CB 4.31Å; P194-W197 VanDerWaalsContact O-CB 3.3Å; P194-W197 WeakPolarHBondContact O-CB 3.27Å; P194-W197 PolarHBondContact O-N 2.85Å; A195-W197 PolarHBondContact O-N 3.09Å; W197-G201 PolarHBondContact NE1-O 2.55Å
198	Q	96.6	Very high	96.7	Very high	104 Å²	104	77.2 Å²	77.2	49%	0.486	43%	0.425	S	S	.	.			trans	-118.5	158.7	173.5	-65.5	-64.1	-19.6	0	0	109.2	D196 K200 G201	D196-Q198 PolarHBondContact O-N 3.49Å; Q198-K200 PolarHBondContact O-N 3.25Å; Q198-G201 WeakPolarHBondContact O-CA 3.33Å; Q198-G201 PolarHBondContact O-N 2.94Å
199	P	93.5	Very high	96.5	Very high	58 Å²	58	78.9 Å²	78.9	38%	0.377	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	133.2	173.5	-28.4	36.8	0	0	0	111.8	R181 G201	R181-P199 HydrophobicContact CB-CG 4.47Å; P199-G201 PolarHBondContact O-N 3.36Å
200	K	93	Very high	96.5	Very high	215 Å²	215	78 Å²	78	94%	0.935	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	1.8	-173.7	-46	173	-178	175.8	0	115.4	Q198	Q198-K200 PolarHBondContact O-N 3.25Å
201	G	95.7	Very high	96.4	Very high	22 Å²	22	79.9 Å²	79.9	23%	0.227	42%	0.422	C	S	.	.			trans	-68.5	158.4	171.6	0	0	0	0	0	112.5	W197 Q198 P199	W197-G201 PolarHBondContact NE1-O 2.55Å; Q198-G201 WeakPolarHBondContact O-CA 3.33Å; Q198-G201 PolarHBondContact O-N 2.94Å; P199-G201 PolarHBondContact O-N 3.36Å
202	P	96.8	Very high	96.4	Very high	49 Å²	49	83.4 Å²	83.4	32%	0.318	44%	0.437	S	S	.	.			trans	-64.7	145.3	178.9	29.6	-35.3	0	0	0	111.4	P194 Y214 V218	P194-P202 VanDerWaalsContact CD-O 3.25Å; P194-P202 WeakPolarHBondContact CD-O 3.44Å; P194-P202 VanDerWaalsContact CG-O 3.28Å; P194-P202 WeakPolarHBondContact CG-O 2.93Å; P202-Y214 HydrophobicContact CB-CD2 3.96Å; P202-Y214 HydrophobicContact CB-CE2 3.77Å; P202-Y214 HydrophobicContact CG-CE2 3.91Å; P202-V218 HydrophobicContact CB-CG1 4.29Å; P202-V218 HydrophobicContact CG-CG1 4Å
203	T	98.1	Very high	96.4	Very high	26 Å²	26	85.2 Å²	85.2	16%	0.16	44%	0.441	C	S	.	.			trans	-124.4	164.2	-177.5	48.8	0	0	0	0	110.6	Y185 E191 Y214	Y185-T203 HydrophobicContact CD1-CG2 4.24Å; Y185-T203 HydrophobicContact CE1-CG2 3.57Å; E191-T203 VanDerWaalsContact OE2-CB 3.31Å; E191-T203 WeakPolarHBondContact OE2-CB 3.37Å; E191-T203 PolarHBondContact OE2-OG1 2.96Å; T203-Y214 VanDerWaalsContact O-CD2 3.32Å; T203-Y214 WeakPolarHBondContact O-CD2 3.3Å
204	I	98	Very high	96.3	Very high	29 Å²	29	85.5 Å²	85.5	15%	0.149	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-113.2	127.3	-179.7	-52	164.9	0	0	0	108.4	V192 P194 P206 Y214	V192-I204 HydrophobicContact CG2-CB 3.71Å; V192-I204 HydrophobicContact CG2-CD1 4.45Å; V192-I204 HydrophobicContact CG2-CG2 4.37Å; V192-I204 WeakPolarHBondContact CG2-O 3.31Å; V192-I204 PolarHBondContact N-O 3.13Å; V192-I204 PolarHBondContact O-N 2.89Å; P194-I204 HydrophobicContact CB-CD1 4.39Å; I204-P206 WeakPolarHBondContact O-CD 3.33Å; I204-Y214 HydrophobicContact CB-CG 4.48Å; I204-Y214 HydrophobicContact CD1-CD1 3.98Å; I204-Y214 HydrophobicContact CD1-CE1 4.03Å; I204-Y214 HydrophobicContact CD1-CG 4.32Å; I204-Y214 HydrophobicContact CG1-CD1 3.62Å; I204-Y214 HydrophobicContact CG1-CD2 3.71Å; I204-Y214 HydrophobicContact CG1-CE1 4.03Å; I204-Y214 HydrophobicContact CG1-CE2 4.1Å; I204-Y214 HydrophobicContact CG1-CG 3.46Å; I204-Y214 VanDerWaalsContact CG1-CG 3.46Å
205	K	97.4	Very high	96.2	Very high	73 Å²	73	88.9 Å²	88.9	32%	0.317	45%	0.45	S	S	.	.			trans	-75.5	117.9	166.9	-67.7	170.4	-172.6	157.8	0	108.1	E191 D207 K210 Y211 E213	E191-K205 HydrophobicContact CG-CG 4.07Å; E191-K205 WeakPolarHBondContact OE1-CE 3.35Å; K205-D207 PolarHBondContact O-N 3.3Å; K205-K210 HydrophobicContact CB-CB 4Å; K205-K210 HydrophobicContact CD-CB 4.01Å; K205-K210 HydrophobicContact CD-CD 3.97Å; K205-Y211 WeakPolarHBondContact O-CA 3.42Å; K205-E213 IonicContact NZ-OE1 3.94Å; K205-E213 IonicContact NZ-OE2 2.75Å; K205-E213 PolarHBondContact NZ-OE2 3.43Å
206	P	95.7	Very high	96.2	Very high	91 Å²	91	91.6 Å²	91.6	59%	0.591	45%	0.447	S	S	*	.			trans	-77.2	57.5	-176.1	33.9	-37.6	0	0	0	111.8	G190 V192 I204	G190-P206 WeakPolarHBondContact O-CD 3.32Å; G190-P206 WeakPolarHBondContact O-CG 3.47Å; V192-P206 HydrophobicContact CG1-CB 4.18Å; V192-P206 HydrophobicContact CG1-CG 4.18Å; I204-P206 WeakPolarHBondContact O-CD 3.33Å
207	D	96.6	Very high	96.1	Very high	71 Å²	71	92.8 Å²	92.8	38%	0.38	45%	0.446	S	S	.	.	S	Bend	trans	-131	134.9	-179.4	168.9	87.4	0	0	0	109.6	K205 K209 K210 Y211	K205-D207 PolarHBondContact O-N 3.3Å; D207-K209 PolarHBondContact O-N 3.29Å; D207-K209 WeakPolarHBondContact OD2-CA 3.3Å; D207-K209 WeakPolarHBondContact OD2-CB 3.44Å; D207-K209 PolarHBondContact OD2-N 3.01Å; D207-K210 HydrophobicContact CB-CB 4.27Å; D207-K210 PolarHBondContact O-N 3.26Å; D207-K210 VanDerWaalsContact O-N 3.14Å; D207-K210 PolarHBondContact OD2-N 3.07Å; D207-Y211 WeakPolarHBondContact O-CB 3.44Å; D207-Y211 WeakPolarHBondContact O-CD1 3.49Å; D207-Y211 PolarHBondContact O-N 2.85Å
208	L	94.3	Very high	95.9	Very high	159 Å²	159	95.2 Å²	95.2	83%	0.832	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-17.3	-173.6	-68.2	178.4	0	0	0	114.2	Y211	L208-Y211 WeakPolarHBondContact O-CD1 3.41Å; L208-Y211 VanDerWaalsContact O-CE1 3.3Å; L208-Y211 WeakPolarHBondContact O-CE1 3.48Å
209	K	93.9	Very high	95.9	Very high	186 Å²	186	98.5 Å²	98.5	81%	0.809	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-35	177.1	-59.1	179.8	-179.4	178.1	0	111.7	D207	D207-K209 PolarHBondContact O-N 3.29Å; D207-K209 WeakPolarHBondContact OD2-CA 3.3Å; D207-K209 WeakPolarHBondContact OD2-CB 3.44Å; D207-K209 PolarHBondContact OD2-N 3.01Å
210	K	96	Very high	96	Very high	106 Å²	106	100.6 Å²	100.6	46%	0.461	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-19.6	-171.9	-61.4	179.1	-175.8	175.3	0	114.9	K205 D207 K212 E213	K205-K210 HydrophobicContact CB-CB 4Å; K205-K210 HydrophobicContact CD-CB 4.01Å; K205-K210 HydrophobicContact CD-CD 3.97Å; D207-K210 HydrophobicContact CB-CB 4.27Å; D207-K210 PolarHBondContact O-N 3.26Å; D207-K210 VanDerWaalsContact O-N 3.14Å; D207-K210 PolarHBondContact OD2-N 3.07Å; K210-K212 PolarHBondContact O-N 3.19Å; K210-K212 VanDerWaalsContact O-N 3.07Å; K210-E213 VanDerWaalsContact O-CB 3.3Å; K210-E213 WeakPolarHBondContact O-CB 3.43Å; K210-E213 VanDerWaalsContact O-CG 3.32Å; K210-E213 WeakPolarHBondContact O-CG 3.48Å; K210-E213 PolarHBondContact O-N 2.94Å
211	Y	96.1	Very high	96.2	Very high	89 Å²	89	94.5 Å²	94.5	35%	0.349	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.7	-175.5	81	-82.9	0	0	0	113.3	K205 D207 L208 E213 Y214 F215	K205-Y211 WeakPolarHBondContact O-CA 3.42Å; D207-Y211 WeakPolarHBondContact O-CB 3.44Å; D207-Y211 WeakPolarHBondContact O-CD1 3.49Å; D207-Y211 PolarHBondContact O-N 2.85Å; L208-Y211 WeakPolarHBondContact O-CD1 3.41Å; L208-Y211 VanDerWaalsContact O-CE1 3.3Å; L208-Y211 WeakPolarHBondContact O-CE1 3.48Å; Y211-E213 PolarHBondContact O-N 3.2Å; Y211-Y214 PolarHBondContact O-N 3.09Å; Y211-F215 AromaticContact CD2-CD2 3.78Å; Y211-F215 HydrophobicContact CD2-CD2 3.78Å; Y211-F215 AromaticContact CD2-CE2 3.73Å; Y211-F215 HydrophobicContact CD2-CE2 3.73Å; Y211-F215 HydrophobicContact CE2-CD2 4.17Å; Y211-F215 HydrophobicContact CE2-CE2 4.23Å; Y211-F215 WeakPolarHBondContact O-CD2 3.33Å
212	K	96.6	Very high	96.2	Very high	111 Å²	111	98.6 Å²	98.6	48%	0.483	48%	0.478	S	S	.	.	H	α-helix	trans	-63.5	-23.7	178.7	-62.9	-176.7	-179	179.3	0	113.3	K210 Y214 F215 H216	K210-K212 PolarHBondContact O-N 3.19Å; K210-K212 VanDerWaalsContact O-N 3.07Å; K212-Y214 PolarHBondContact O-N 2.96Å; K212-F215 PolarHBondContact O-N 3.14Å; K212-F215 VanDerWaalsContact O-N 3.16Å; K212-H216 PolarHBondContact O-CD2 2.78Å; K212-H216 PolarHBondContact O-N 3.04Å
213	E	96.7	Very high	96.2	Very high	101 Å²	101	101.5 Å²	101.5	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-55.2	-41.4	176	-68	172.2	-160.6	0	0	111.4	K205 K210 Y211 K217	K205-E213 IonicContact NZ-OE1 3.94Å; K205-E213 IonicContact NZ-OE2 2.75Å; K205-E213 PolarHBondContact NZ-OE2 3.43Å; K210-E213 VanDerWaalsContact O-CB 3.3Å; K210-E213 WeakPolarHBondContact O-CB 3.43Å; K210-E213 VanDerWaalsContact O-CG 3.32Å; K210-E213 WeakPolarHBondContact O-CG 3.48Å; K210-E213 PolarHBondContact O-N 2.94Å; Y211-E213 PolarHBondContact O-N 3.2Å; E213-K217 PolarHBondContact O-N 2.96Å
214	Y	97.4	Very high	96.1	Very high	41 Å²	41	106.2 Å²	106.2	16%	0.161	51%	0.507	C	S	.	.	H	α-helix	trans	-64.6	-51.8	175.6	170.7	-94.4	0	0	0	111.5	P194 P202 T203 I204 Y211 K212 H216 K217 V218	P194-Y214 HydrophobicContact CB-CE2 4.34Å; P194-Y214 WeakPolarHBondContact CB-OH 3.49Å; P194-Y214 HydrophobicContact CG-CE2 3.93Å; P202-Y214 HydrophobicContact CB-CD2 3.96Å; P202-Y214 HydrophobicContact CB-CE2 3.77Å; P202-Y214 HydrophobicContact CG-CE2 3.91Å; T203-Y214 VanDerWaalsContact O-CD2 3.32Å; T203-Y214 WeakPolarHBondContact O-CD2 3.3Å; I204-Y214 HydrophobicContact CB-CG 4.48Å; I204-Y214 HydrophobicContact CD1-CD1 3.98Å; I204-Y214 HydrophobicContact CD1-CE1 4.03Å; I204-Y214 HydrophobicContact CD1-CG 4.32Å; I204-Y214 HydrophobicContact CG1-CD1 3.62Å; I204-Y214 HydrophobicContact CG1-CD2 3.71Å; I204-Y214 HydrophobicContact CG1-CE1 4.03Å; I204-Y214 HydrophobicContact CG1-CE2 4.1Å; I204-Y214 HydrophobicContact CG1-CG 3.46Å; I204-Y214 VanDerWaalsContact CG1-CG 3.46Å; Y211-Y214 PolarHBondContact O-N 3.09Å; K212-Y214 PolarHBondContact O-N 2.96Å; Y214-H216 VanDerWaalsContact C-N 3.28Å; Y214-H216 PolarHBondContact O-N 3.45Å; Y214-K217 WeakPolarHBondContact O-CB 3.32Å; Y214-K217 PolarHBondContact O-N 2.94Å; Y214-V218 HydrophobicContact CD1-CG2 4.1Å; Y214-V218 HydrophobicContact CD2-CG1 4.2Å; Y214-V218 HydrophobicContact CE1-CG1 4.4Å; Y214-V218 HydrophobicContact CE1-CG2 3.67Å; Y214-V218 HydrophobicContact CE2-CG1 3.79Å; Y214-V218 WeakPolarHBondContact O-CG2 3.37Å; Y214-V218 PolarHBondContact O-N 2.75Å; Y214-V218 VanDerWaalsContact O-N 3.14Å
215	F	96.4	Very high	95.9	Very high	96 Å²	96	111.3 Å²	111.3	42%	0.421	53%	0.531	S	S	.	.	H	α-helix	trans	-64.9	-30.9	-174.9	-72.3	-77.4	0	0	0	112.9	Y211 K212 K217 N219	Y211-F215 AromaticContact CD2-CD2 3.78Å; Y211-F215 HydrophobicContact CD2-CD2 3.78Å; Y211-F215 AromaticContact CD2-CE2 3.73Å; Y211-F215 HydrophobicContact CD2-CE2 3.73Å; Y211-F215 HydrophobicContact CE2-CD2 4.17Å; Y211-F215 HydrophobicContact CE2-CE2 4.23Å; Y211-F215 WeakPolarHBondContact O-CD2 3.33Å; K212-F215 PolarHBondContact O-N 3.14Å; K212-F215 VanDerWaalsContact O-N 3.16Å; F215-K217 VanDerWaalsContact C-N 3.32Å; F215-N219 PolarHBondContact O-N 2.94Å; F215-N219 PolarHBondContact O-ND2 2.86Å
216	H	95.9	Very high	95.8	Very high	148 Å²	148	114.1 Å²	114.1	69%	0.685	55%	0.547	S	S	*	.	H	α-helix	trans	-71.6	-23.3	171	-76.7	-61.4	0	0	0	114	K212 Y214	K212-H216 PolarHBondContact O-CD2 2.78Å; K212-H216 PolarHBondContact O-N 3.04Å; Y214-H216 VanDerWaalsContact C-N 3.28Å; Y214-H216 PolarHBondContact O-N 3.45Å
217	K	94.8	Very high	95.8	Very high	163 Å²	163	115.8 Å²	115.8	71%	0.709	54%	0.543	S	S	*	.	H	α-helix	trans	-85.7	-32.2	-179	-177.8	178.9	176.7	-177.7	0	112.5	E213 Y214 F215	E213-K217 PolarHBondContact O-N 2.96Å; Y214-K217 WeakPolarHBondContact O-CB 3.32Å; Y214-K217 PolarHBondContact O-N 2.94Å; F215-K217 VanDerWaalsContact C-N 3.32Å
218	V	95.3	Very high	95.8	Very high	62 Å²	62	119.6 Å²	119.6	38%	0.376	56%	0.557	S	S	.	*	H	α-helix	trans	-100.7	-2.7	-172.7	-55.7	0	0	0	0	114.3	P202 Y214	P202-V218 HydrophobicContact CB-CG1 4.29Å; P202-V218 HydrophobicContact CG-CG1 4Å; Y214-V218 HydrophobicContact CD1-CG2 4.1Å; Y214-V218 HydrophobicContact CD2-CG1 4.2Å; Y214-V218 HydrophobicContact CE1-CG1 4.4Å; Y214-V218 HydrophobicContact CE1-CG2 3.67Å; Y214-V218 HydrophobicContact CE2-CG1 3.79Å; Y214-V218 WeakPolarHBondContact O-CG2 3.37Å; Y214-V218 PolarHBondContact O-N 2.75Å; Y214-V218 VanDerWaalsContact O-N 3.14Å
219	N	96	Very high	95.9	Very high	173 Å²	173	116 Å²	116	93%	0.925	53%	0.532	S	S	*	.			trans	-126.7	0	173.5	-57.2	-83.2	0	0	0	109.3	F215	F215-N219 PolarHBondContact O-N 2.94Å; F215-N219 PolarHBondContact O-ND2 2.86Å

Retrieved 219 of 219 residues in 47.6 ms (Link to these results)

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