A0A3Q0KDT7_SCHMA Loading...

type I protein arginine methyltransferase

AlphaFold DB (Q4PLC2), UniProt , Accession A0A3Q0KDT7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 359 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	33	Very low	235 Å²	235	137.5 Å²	137.5	100%	1.158	84%	0.839	S	S	*	*				0	125.6	0	-77.5	176.1	-179.6	0	0	108
2	N	36.2	Very low	32.7	Very low	168 Å²	168	141.7 Å²	141.7	90%	0.898	84%	0.842	S	S	*	*			trans	44.8	124.1	157.1	-54.1	-11.8	0	0	0	118.1
3	G	34.7	Very low	32.6	Very low	68 Å²	68	140.7 Å²	140.7	70%	0.701	84%	0.844	S	S	*	*			cis	126.7	132.6	20.3	0	0	0	0	0	109.5
4	K	37.2	Very low	32.7	Very low	207 Å²	207	137.9 Å²	137.9	90%	0.9	83%	0.834	S	S	*	*			trans	70.5	148.4	155.7	-68.6	-176.3	178.5	-178.2	0	118.4
5	S	32.6	Very low	32.7	Very low	109 Å²	109	136.9 Å²	136.9	76%	0.762	83%	0.832	S	S	*	*			cis	170.7	145.6	-16.3	50.3	0	0	0	0	108.4
6	G	32.4	Very low	32.8	Very low	81 Å²	81	135.1 Å²	135.1	84%	0.835	83%	0.828	S	S	*	*			trans	99.1	147.2	149.2	0	0	0	0	0	116.7
7	A	31.4	Very low	32.5	Very low	105 Å²	105	134.9 Å²	134.9	87%	0.868	83%	0.827	S	S	*	*			cis	-179.7	149.5	-15.3	0	0	0	0	0	107.8
8	G	30.8	Very low	32.4	Very low	79 Å²	79	132.8 Å²	132.8	81%	0.814	82%	0.818	S	S	*	*			trans	91.3	138.9	162.4	0	0	0	0	0	116.1
9	D	30.3	Very low	32.1	Very low	125 Å²	125	132.1 Å²	132.1	67%	0.668	82%	0.817	S	S	*	*			cis	-168.9	152.6	6.4	-154.2	5.6	0	0	0	108.9
10	K	30.2	Very low	32.1	Very low	172 Å²	172	134.2 Å²	134.2	75%	0.748	82%	0.817	S	S	*	*			trans	59.2	104.6	156.2	-69.5	154	-176.1	150	0	120.1
11	N	35.3	Very low	32	Very low	164 Å²	164	132.5 Å²	132.5	88%	0.877	81%	0.811	S	S	*	*				-145.3	138	123.6	-117.7	-10.5	0	0	0	112.4
12	Q	29.6	Very low	31.8	Very low	187 Å²	187	127.3 Å²	127.3	87%	0.874	79%	0.793	S	S	*	*			trans	-63.4	132.5	-171.9	-68	157.3	-15.6	0	0	111.4
13	C	31.3	Very low	31.6	Very low	129 Å²	129	125.4 Å²	125.4	87%	0.872	79%	0.788	S	S	*	*			trans	-112.7	107.5	162.1	-151.9	0	0	0	0	107.5
14	S	33	Very low	31.5	Very low	101 Å²	101	129.2 Å²	129.2	71%	0.706	79%	0.787	S	S	*	*			trans	-62.4	136	169.2	18.4	0	0	0	0	110.1	S16	S14-S16 PolarHBondContact O-N 3.4Å
15	P	33	Very low	31.8	Very low	123 Å²	123	124.5 Å²	124.5	80%	0.799	78%	0.78	S	S	*	*			trans	-78.7	109	163.6	25.7	-17.5	0	0	0	107.5	T17	P15-T17 PolarHBondContact O-N 3Å
16	S	34.9	Very low	32.1	Very low	109 Å²	109	123.6 Å²	123.6	76%	0.762	77%	0.774	S	S	*	*			trans	-61.8	118.2	168.5	49	0	0	0	0	109.4	S14 S18	S14-S16 PolarHBondContact O-N 3.4Å; S16-S18 PolarHBondContact O-N 2.81Å; S16-S18 VanDerWaalsContact O-N 3.13Å
17	T	27.3	Very low	32.4	Very low	132 Å²	132	126.2 Å²	126.2	81%	0.81	77%	0.769	S	S	*	*			trans	-58.3	102.6	167.3	-36.6	0	0	0	0	109.7	P15	P15-T17 PolarHBondContact O-N 3Å
18	S	31.6	Very low	32.7	Very low	97 Å²	97	125.4 Å²	125.4	68%	0.678	75%	0.748	S	S	*	*			trans	-112.3	98.2	154.8	55.6	0	0	0	0	107	S16 E20	S16-S18 PolarHBondContact O-N 2.81Å; S16-S18 VanDerWaalsContact O-N 3.13Å; S18-E20 PolarHBondContact O-N 3.39Å
19	C	26.8	Very low	34	Very low	118 Å²	118	125.1 Å²	125.1	80%	0.797	73%	0.731	S	S	*	*			trans	-59.9	93.4	160.4	-71.9	0	0	0	0	107.3	S21	C19-S21 VanDerWaalsContact C-N 3.32Å; C19-S21 PolarHBondContact O-N 3.1Å; C19-S21 VanDerWaalsContact O-N 3.11Å
20	E	31.1	Very low	35.3	Very low	174 Å²	174	122.1 Å²	122.1	81%	0.813	72%	0.72	S	S	*	*			trans	-66.4	103.6	153.5	-77.2	178.4	167.6	0	0	105.5	S18 T22	S18-E20 PolarHBondContact O-N 3.39Å; E20-T22 VanDerWaalsContact C-N 3.32Å; E20-T22 PolarHBondContact O-N 3.2Å
21	S	30.3	Very low	36.7	Very low	100 Å²	100	119 Å²	119	70%	0.699	71%	0.706	S	S	*	*			trans	-57.7	99.6	168.2	52.9	0	0	0	0	107.8	C19 T23	C19-S21 VanDerWaalsContact C-N 3.32Å; C19-S21 PolarHBondContact O-N 3.1Å; C19-S21 VanDerWaalsContact O-N 3.11Å; S21-T23 PolarHBondContact O-N 3.15Å
22	T	28.7	Very low	38.2	Very low	126 Å²	126	114.1 Å²	114.1	77%	0.773	68%	0.68	S	S	*	*			trans	-61	91.1	153.6	46.4	0	0	0	0	106.3	E20 E24	E20-T22 VanDerWaalsContact C-N 3.32Å; E20-T22 PolarHBondContact O-N 3.2Å; T22-E24 VanDerWaalsContact C-N 3.32Å; T22-E24 PolarHBondContact O-N 3.39Å
23	T	31.7	Very low	39.7	Very low	128 Å²	128	112.3 Å²	112.3	79%	0.785	67%	0.666	S	S	*	*			trans	-57	105.3	160.1	14.8	0	0	0	0	105.8	S21 S25	S21-T23 PolarHBondContact O-N 3.15Å; T23-S25 PolarHBondContact O-N 2.9Å; T23-S25 VanDerWaalsContact O-N 3.1Å
24	E	32.3	Very low	41.5	Very low	148 Å²	148	107.5 Å²	107.5	69%	0.692	63%	0.63	S	S	*	*			trans	-53.2	117.8	173.4	-70.1	-178.8	147.6	0	0	107.6	T22 S26	T22-E24 VanDerWaalsContact C-N 3.32Å; T22-E24 PolarHBondContact O-N 3.39Å; E24-S26 PolarHBondContact O-N 3.29Å
25	S	42.8	Very low	43.4	Very low	108 Å²	108	104.1 Å²	104.1	76%	0.755	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	9.8	178.5	57.3	0	0	0	0	113.6	T23	T23-S25 PolarHBondContact O-N 2.9Å; T23-S25 VanDerWaalsContact O-N 3.1Å
26	S	38.9	Very low	45.3	Very low	90 Å²	90	101.6 Å²	101.6	63%	0.629	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-11.9	-177	51.5	0	0	0	0	114.6	E24	E24-S26 PolarHBondContact O-N 3.29Å
27	D	39.4	Very low	47.3	Very low	136 Å²	136	98.8 Å²	98.8	73%	0.727	56%	0.563	S	S	*	*	S	Bend	trans	-106.5	0.6	-178.4	-93.9	-3.2	0	0	0	114.6	T29	D27-T29 PolarHBondContact O-N 3.45Å
28	M	37.1	Very low	50	Low	87 Å²	87	94.9 Å²	94.9	43%	0.429	53%	0.533	S	S	.	.			trans	-70.9	104.1	172.7	-70.9	-81.1	-102.5	0	0	108.9	D32 Y33 D36	M28-D32 HydrophobicContact SD-CB 3.98Å; M28-Y33 HydrophobicContact CB-CD2 4.04Å; M28-Y33 HydrophobicContact CB-CE2 3.78Å; M28-D36 WeakPolarHBondContact CE-OD2 3.3Å
29	T	58.3	Low	52.4	Low	74 Å²	74	92 Å²	92	45%	0.454	52%	0.515	S	S	.	.			trans	-70.4	158.2	176.6	68.1	0	0	0	0	109.5	D27 K31 D32 Y33	D27-T29 PolarHBondContact O-N 3.45Å; T29-K31 PolarHBondContact O-N 3.33Å; T29-D32 PolarHBondContact N-OD2 2.84Å; T29-D32 PolarHBondContact O-N 3.12Å; T29-D32 PolarHBondContact OG1-OD2 3.02Å; T29-Y33 PolarHBondContact O-N 3.3Å
30	S	58.7	Low	55.1	Low	62 Å²	62	91.6 Å²	91.6	43%	0.434	50%	0.502	S	S	.	.	H	α-helix	trans	-54	-24.4	174.7	57.9	0	0	0	0	112.9	Y34	S30-Y34 PolarHBondContact O-N 3.05Å; S30-Y34 VanDerWaalsContact O-N 3.12Å
31	K	59.5	Low	57.8	Low	106 Å²	106	89.9 Å²	89.9	46%	0.461	49%	0.492	S	S	.	.	H	α-helix	trans	-67.6	-41.2	174.6	-62.9	-178.6	179	178.5	0	112.3	T29 Y34 F35	T29-K31 PolarHBondContact O-N 3.33Å; K31-Y34 WeakPolarHBondContact O-CB 3.49Å; K31-Y34 PolarHBondContact O-N 3.42Å; K31-F35 WeakPolarHBondContact O-CD2 3.38Å; K31-F35 PolarHBondContact O-N 2.65Å
32	D	66.3	Low	60.6	Low	62 Å²	62	86.2 Å²	86.2	33%	0.332	47%	0.47	S	S	.	.	H	α-helix	trans	-69.5	-42.6	180	-55.2	-49.3	0	0	0	110	M28 T29 Y34 F35 D36	M28-D32 HydrophobicContact SD-CB 3.98Å; T29-D32 PolarHBondContact N-OD2 2.84Å; T29-D32 PolarHBondContact O-N 3.12Å; T29-D32 PolarHBondContact OG1-OD2 3.02Å; D32-Y34 VanDerWaalsContact C-N 3.3Å; D32-Y34 PolarHBondContact O-N 3.3Å; D32-F35 PolarHBondContact O-N 3.49Å; D32-D36 WeakPolarHBondContact O-CB 3.42Å; D32-D36 PolarHBondContact O-N 3.22Å
33	Y	60.8	Low	63.6	Low	149 Å²	149	82.7 Å²	82.7	58%	0.584	45%	0.446	S	S	*	.	H	α-helix	trans	-56.5	-41.4	172.9	-95.8	-77.6	0	0	0	113.3	M28 T29 D36 S37	M28-Y33 HydrophobicContact CB-CD2 4.04Å; M28-Y33 HydrophobicContact CB-CE2 3.78Å; T29-Y33 PolarHBondContact O-N 3.3Å; Y33-D36 PolarHBondContact O-N 3.26Å; Y33-S37 WeakPolarHBondContact O-CB 3.34Å; Y33-S37 PolarHBondContact O-N 2.89Å
34	Y	69.7	Low	66.5	Low	27 Å²	27	77.1 Å²	77.1	11%	0.106	41%	0.411	C	S	.	.	H	α-helix	trans	-59.1	-52.2	176.6	176.9	-96.4	0	0	0	111.5	S30 K31 D32 D36 S37 Y38 E154 R333	S30-Y34 PolarHBondContact O-N 3.05Å; S30-Y34 VanDerWaalsContact O-N 3.12Å; K31-Y34 WeakPolarHBondContact O-CB 3.49Å; K31-Y34 PolarHBondContact O-N 3.42Å; D32-Y34 VanDerWaalsContact C-N 3.3Å; D32-Y34 PolarHBondContact O-N 3.3Å; Y34-D36 VanDerWaalsContact C-N 3.33Å; Y34-D36 PolarHBondContact O-N 3.08Å; Y34-S37 WeakPolarHBondContact O-CB 3.39Å; Y34-S37 PolarHBondContact O-N 3.28Å; Y34-S37 PolarHBondContact O-OG 3.48Å; Y34-Y38 HydrophobicContact CD2-CE2 4.28Å; Y34-Y38 HydrophobicContact CE1-CD2 4.13Å; Y34-Y38 AromaticContact CE1-CE2 3.99Å; Y34-Y38 HydrophobicContact CE1-CE2 3.99Å; Y34-Y38 HydrophobicContact CE2-CD2 4.29Å; Y34-Y38 AromaticContact CE2-CE2 3.56Å; Y34-Y38 HydrophobicContact CE2-CE2 3.56Å; Y34-Y38 AromaticContact CZ-CE2 3.39Å; Y34-Y38 WeakPolarHBondContact O-CD2 3.49Å; Y34-Y38 PolarHBondContact O-N 3.07Å; Y34-Y38 WeakPolarHBondContact OH-CE2 3.41Å; Y34-E154 HydrophobicContact CE2-CB 3.66Å; Y34-E154 HydrophobicContact CE2-CG 3.75Å; Y34-E154 WeakPolarHBondContact CE2-OE2 3.24Å; Y34-E154 VanDerWaalsContact CZ-OE2 3.24Å; Y34-E154 PolarHBondContact OH-OE2 2.85Å; Y34-R333 VanDerWaalsContact CE1-CZ 3.44Å
35	F	71.2	Confident	69.5	Low	31 Å²	31	74 Å²	74	14%	0.136	40%	0.396	C	S	.	.	H	α-helix	trans	-69.4	-32.4	-178.3	-60.1	-53.7	0	0	0	113	K31 D32 Y38 A39 C100 S101 K126 R333	K31-F35 WeakPolarHBondContact O-CD2 3.38Å; K31-F35 PolarHBondContact O-N 2.65Å; D32-F35 PolarHBondContact O-N 3.49Å; F35-Y38 PolarHBondContact O-N 3.11Å; F35-A39 PolarHBondContact O-N 3.19Å; F35-C100 HydrophobicContact CD1-CB 4.24Å; F35-C100 WeakPolarHBondContact CD1-SG 3.27Å; F35-C100 HydrophobicContact CE1-CB 4.34Å; F35-C100 WeakPolarHBondContact CE1-SG 3.27Å; F35-S101 WeakPolarHBondContact O-CB 3.31Å; F35-S101 PolarHBondContact O-OG 2.77Å; F35-K126 HydrophobicContact CE2-CD 4.28Å; F35-K126 HydrophobicContact CZ-CD 4.33Å; F35-K126 HydrophobicContact CZ-CG 4.46Å; F35-R333 VanDerWaalsContact CE1-NH2 3.31Å
36	D	73.9	Confident	71.9	Confident	70 Å²	70	72.8 Å²	72.8	37%	0.374	38%	0.379	S	S	.	.	H	α-helix	trans	-68.7	-33.2	173.9	-80.9	-13.2	0	0	0	112.3	M28 D32 Y33 Y34 Y38 A39	M28-D36 WeakPolarHBondContact CE-OD2 3.3Å; D32-D36 WeakPolarHBondContact O-CB 3.42Å; D32-D36 PolarHBondContact O-N 3.22Å; Y33-D36 PolarHBondContact O-N 3.26Å; Y34-D36 VanDerWaalsContact C-N 3.33Å; Y34-D36 PolarHBondContact O-N 3.08Å; D36-Y38 VanDerWaalsContact C-N 3.31Å; D36-Y38 PolarHBondContact O-N 2.89Å; D36-A39 VanDerWaalsContact O-CB 3.24Å; D36-A39 WeakPolarHBondContact O-CB 3.4Å; D36-A39 PolarHBondContact O-N 3.31Å
37	S	77.7	Confident	74.6	Confident	50 Å²	50	69.5 Å²	69.5	35%	0.35	35%	0.354	S	S	.	.	H	α-helix	trans	-59.9	-44.2	174.7	77.1	0	0	0	0	111	Y33 Y34 A39 H40 I43	Y33-S37 WeakPolarHBondContact O-CB 3.34Å; Y33-S37 PolarHBondContact O-N 2.89Å; Y34-S37 WeakPolarHBondContact O-CB 3.39Å; Y34-S37 PolarHBondContact O-N 3.28Å; Y34-S37 PolarHBondContact O-OG 3.48Å; S37-A39 PolarHBondContact O-N 2.92Å; S37-H40 WeakPolarHBondContact O-CB 3.4Å; S37-H40 PolarHBondContact O-N 2.91Å; S37-H40 VanDerWaalsContact O-N 3.12Å; S37-I43 WeakPolarHBondContact O-CD1 3.33Å
38	Y	83.3	Confident	77.3	Confident	49 Å²	49	66.3 Å²	66.3	19%	0.192	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-6	175	-77.1	-78.9	0	0	0	113.8	Y34 F35 D36 I43 H44 M47 S101 E154	Y34-Y38 HydrophobicContact CD2-CE2 4.28Å; Y34-Y38 HydrophobicContact CE1-CD2 4.13Å; Y34-Y38 AromaticContact CE1-CE2 3.99Å; Y34-Y38 HydrophobicContact CE1-CE2 3.99Å; Y34-Y38 HydrophobicContact CE2-CD2 4.29Å; Y34-Y38 AromaticContact CE2-CE2 3.56Å; Y34-Y38 HydrophobicContact CE2-CE2 3.56Å; Y34-Y38 AromaticContact CZ-CE2 3.39Å; Y34-Y38 WeakPolarHBondContact O-CD2 3.49Å; Y34-Y38 PolarHBondContact O-N 3.07Å; Y34-Y38 WeakPolarHBondContact OH-CE2 3.41Å; F35-Y38 PolarHBondContact O-N 3.11Å; D36-Y38 VanDerWaalsContact C-N 3.31Å; D36-Y38 PolarHBondContact O-N 2.89Å; Y38-I43 HydrophobicContact CD1-CG2 4.08Å; Y38-I43 HydrophobicContact CE1-CG2 3.92Å; Y38-H44 PolarHBondContact O-CD2 3.21Å; Y38-H44 PolarHBondContact O-NE2 3.48Å; Y38-M47 HydrophobicContact CD1-CE 4.21Å; Y38-M47 HydrophobicContact CE1-CE 4.11Å; Y38-M47 HydrophobicContact CE1-SD 4.35Å; Y38-S101 PolarHBondContact O-OG 3.49Å; Y38-E154 PolarHBondContact OH-OE1 3.34Å; Y38-E154 PolarHBondContact OH-OE2 2.94Å
39	A	81.4	Confident	80.2	Confident	36 Å²	36	68.9 Å²	68.9	30%	0.298	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-19.3	171.2	0	0	0	0	0	111.8	F35 D36 S37 S101 N102	F35-A39 PolarHBondContact O-N 3.19Å; D36-A39 VanDerWaalsContact O-CB 3.24Å; D36-A39 WeakPolarHBondContact O-CB 3.4Å; D36-A39 PolarHBondContact O-N 3.31Å; S37-A39 PolarHBondContact O-N 2.92Å; A39-S101 VanDerWaalsContact CA-OG 3.28Å; A39-S101 WeakPolarHBondContact CA-OG 3.3Å; A39-S101 PolarHBondContact N-OG 3.37Å; A39-N102 HydrophobicContact CB-CB 4.06Å
40	H	84.9	Confident	82	Confident	111 Å²	111	65.6 Å²	65.6	51%	0.514	33%	0.325	S	S	.	.	S	Bend	trans	-79.9	128.1	-177.6	-167.6	-90.5	0	0	0	111.8	S37 G42 I43 H44	S37-H40 WeakPolarHBondContact O-CB 3.4Å; S37-H40 PolarHBondContact O-N 2.91Å; S37-H40 VanDerWaalsContact O-N 3.12Å; H40-G42 PolarHBondContact ND1-N 2.9Å; H40-G42 PolarHBondContact O-N 2.94Å; H40-G42 VanDerWaalsContact O-N 3.13Å; H40-I43 PolarHBondContact O-N 3.13Å; H40-H44 PolarHBondContact O-CD2 2.79Å
41	F	87.2	Confident	83.8	Confident	137 Å²	137	69.2 Å²	69.2	60%	0.601	34%	0.335	S	S	*	.	H	α-helix	trans	-60	-28.5	-176.9	73.6	-89.6	0	0	0	113.5	I43 H44 E45	F41-I43 VanDerWaalsContact C-N 3.33Å; F41-I43 PolarHBondContact O-N 3.43Å; F41-H44 CarbonylContact O-C 3.5Å; F41-H44 PolarHBondContact O-N 3.37Å; F41-H44 VanDerWaalsContact O-N 3.14Å; F41-E45 PolarHBondContact O-N 2.85Å
42	G	89.4	Confident	85.6	Confident	24 Å²	24	65.6 Å²	65.6	25%	0.247	32%	0.32	C	S	.	.	H	α-helix	trans	-60.3	-37.9	-177.3	0	0	0	0	0	113.7	H40 E45 E46	H40-G42 PolarHBondContact ND1-N 2.9Å; H40-G42 PolarHBondContact O-N 2.94Å; H40-G42 VanDerWaalsContact O-N 3.13Å; G42-E45 PolarHBondContact O-N 3.13Å; G42-E46 PolarHBondContact O-N 2.87Å; G42-E46 VanDerWaalsContact O-N 3.09Å
43	I	90.5	Very high	87.1	Confident	52 Å²	52	63.4 Å²	63.4	27%	0.267	31%	0.307	S	S	.	.	H	α-helix	trans	-66.5	-43.3	176.2	-55.4	-173.2	0	0	0	109.5	S37 Y38 H40 F41 E45 E46 M47	S37-I43 WeakPolarHBondContact O-CD1 3.33Å; Y38-I43 HydrophobicContact CD1-CG2 4.08Å; Y38-I43 HydrophobicContact CE1-CG2 3.92Å; H40-I43 PolarHBondContact O-N 3.13Å; F41-I43 VanDerWaalsContact C-N 3.33Å; F41-I43 PolarHBondContact O-N 3.43Å; I43-E45 VanDerWaalsContact C-N 3.31Å; I43-E45 PolarHBondContact O-N 3.07Å; I43-E46 PolarHBondContact O-N 3.41Å; I43-M47 HydrophobicContact CG2-CE 4.05Å; I43-M47 VanDerWaalsContact O-CB 3.27Å; I43-M47 WeakPolarHBondContact O-CB 3.47Å; I43-M47 VanDerWaalsContact O-CG 3.31Å; I43-M47 WeakPolarHBondContact O-CG 3.39Å; I43-M47 PolarHBondContact O-N 2.98Å
44	H	92.4	Very high	88.9	Confident	10 Å²	10	57 Å²	57	5%	0.046	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-33.9	176	-65.7	-78	0	0	0	113	Y38 H40 F41 M47 L48 T80 I103	Y38-H44 PolarHBondContact O-CD2 3.21Å; Y38-H44 PolarHBondContact O-NE2 3.48Å; H40-H44 PolarHBondContact O-CD2 2.79Å; F41-H44 CarbonylContact O-C 3.5Å; F41-H44 PolarHBondContact O-N 3.37Å; F41-H44 VanDerWaalsContact O-N 3.14Å; H44-M47 HydrophobicContact CB-CE 4.35Å; H44-M47 VanDerWaalsContact ND1-CE 3.27Å; H44-M47 WeakPolarHBondContact ND1-CE 3.28Å; H44-L48 VanDerWaalsContact O-CB 3.23Å; H44-L48 WeakPolarHBondContact O-CB 3.38Å; H44-L48 WeakPolarHBondContact O-CD1 3.39Å; H44-L48 WeakPolarHBondContact O-CG 3.43Å; H44-L48 PolarHBondContact O-N 3.12Å; H44-T80 HydrophobicContact CB-CG2 3.91Å; H44-I103 WeakPolarHBondContact NE2-CG1 3.48Å
45	E	95.5	Very high	90.3	Very high	83 Å²	83	59.1 Å²	59.1	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-65.2	-46.5	175.9	-175.8	-179.7	172.2	0	0	111.7	F41 G42 I43 L48 K49	F41-E45 PolarHBondContact O-N 2.85Å; G42-E45 PolarHBondContact O-N 3.13Å; I43-E45 VanDerWaalsContact C-N 3.31Å; I43-E45 PolarHBondContact O-N 3.07Å; E45-L48 PolarHBondContact O-N 3.14Å; E45-K49 HydrophobicContact CG-CD 4.02Å; E45-K49 VanDerWaalsContact O-CB 3.3Å; E45-K49 WeakPolarHBondContact O-CB 3.37Å; E45-K49 VanDerWaalsContact O-CG 3.31Å; E45-K49 WeakPolarHBondContact O-CG 3.2Å; E45-K49 PolarHBondContact O-N 3.2Å; E45-K49 WeakPolarHBondContact OE1-CE 3.35Å; E45-K49 IonicContact OE1-NZ 3.86Å; E45-K49 PolarHBondContact OE1-NZ 3.03Å
46	E	94.8	Very high	91.6	Very high	83 Å²	83	58.6 Å²	58.6	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-59.2	-51.2	174.7	178.2	171.5	-159.2	0	0	111.1	G42 I43 L48 K49 D50 H295	G42-E46 PolarHBondContact O-N 2.87Å; G42-E46 VanDerWaalsContact O-N 3.09Å; I43-E46 PolarHBondContact O-N 3.41Å; E46-L48 PolarHBondContact O-N 3.47Å; E46-K49 PolarHBondContact O-N 3.07Å; E46-D50 PolarHBondContact O-N 3.04Å; E46-H295 HydrophobicContact CG-CB 3.92Å
47	M	94.4	Very high	92.7	Very high	21 Å²	21	55.4 Å²	55.4	10%	0.103	28%	0.278	C	S	.	.	H	α-helix	trans	-53.8	-47.1	175.3	-83.9	-158.8	-61.6	0	0	112.7	Y38 I43 H44 D50 R53 T54	Y38-M47 HydrophobicContact CD1-CE 4.21Å; Y38-M47 HydrophobicContact CE1-CE 4.11Å; Y38-M47 HydrophobicContact CE1-SD 4.35Å; I43-M47 HydrophobicContact CG2-CE 4.05Å; I43-M47 VanDerWaalsContact O-CB 3.27Å; I43-M47 WeakPolarHBondContact O-CB 3.47Å; I43-M47 VanDerWaalsContact O-CG 3.31Å; I43-M47 WeakPolarHBondContact O-CG 3.39Å; I43-M47 PolarHBondContact O-N 2.98Å; H44-M47 HydrophobicContact CB-CE 4.35Å; H44-M47 VanDerWaalsContact ND1-CE 3.27Å; H44-M47 WeakPolarHBondContact ND1-CE 3.28Å; M47-D50 PolarHBondContact O-N 3.19Å; M47-R53 VanDerWaalsContact C-CZ 3.5Å; M47-R53 VanDerWaalsContact CB-CZ 3.49Å; M47-R53 PolarHBondContact O-NE 3.14Å; M47-R53 PolarHBondContact O-NH2 3.35Å; M47-R53 PolarHBondContact SD-NH1 3.42Å; M47-T54 PolarHBondContact O-OG1 2.99Å
48	L	96.3	Very high	93.7	Very high	68 Å²	68	58.1 Å²	58.1	36%	0.356	28%	0.281	S	S	.	.	H	α-helix	trans	-74.7	-28.1	-178.9	-72.8	168.5	0	0	0	113.1	H44 E45 E46 D50 T80 I82	H44-L48 VanDerWaalsContact O-CB 3.23Å; H44-L48 WeakPolarHBondContact O-CB 3.38Å; H44-L48 WeakPolarHBondContact O-CD1 3.39Å; H44-L48 WeakPolarHBondContact O-CG 3.43Å; H44-L48 PolarHBondContact O-N 3.12Å; E45-L48 PolarHBondContact O-N 3.14Å; E46-L48 PolarHBondContact O-N 3.47Å; L48-D50 VanDerWaalsContact C-N 3.33Å; L48-T80 HydrophobicContact CD1-CG2 4.49Å; L48-I82 HydrophobicContact CD2-CB 3.99Å; L48-I82 HydrophobicContact CD2-CG1 3.92Å; L48-I82 HydrophobicContact CD2-CG2 3.89Å
49	K	97.4	Very high	94.4	Very high	142 Å²	142	57.5 Å²	57.5	62%	0.617	28%	0.284	S	S	*	.	H	α-helix	trans	-77.2	-17.7	174.9	-78.8	177.4	172.2	173.8	0	113.2	E45 E46 E51	E45-K49 HydrophobicContact CG-CD 4.02Å; E45-K49 VanDerWaalsContact O-CB 3.3Å; E45-K49 WeakPolarHBondContact O-CB 3.37Å; E45-K49 VanDerWaalsContact O-CG 3.31Å; E45-K49 WeakPolarHBondContact O-CG 3.2Å; E45-K49 PolarHBondContact O-N 3.2Å; E45-K49 WeakPolarHBondContact OE1-CE 3.35Å; E45-K49 IonicContact OE1-NZ 3.86Å; E45-K49 PolarHBondContact OE1-NZ 3.03Å; E46-K49 PolarHBondContact O-N 3.07Å; K49-E51 VanDerWaalsContact C-N 3.32Å; K49-E51 PolarHBondContact O-N 3.43Å
50	D	97.3	Very high	95.2	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	27%	0.27	C	S	.	.			trans	-66.8	92.4	166	-171.7	-23.4	0	0	0	109.8	E46 M47 L48 I52 R53 T54 T294 H295	E46-D50 PolarHBondContact O-N 3.04Å; M47-D50 PolarHBondContact O-N 3.19Å; L48-D50 VanDerWaalsContact C-N 3.33Å; D50-I52 VanDerWaalsContact C-N 3.35Å; D50-I52 PolarHBondContact OD1-N 2.76Å; D50-R53 HydrophobicContact CB-CB 4Å; D50-R53 VanDerWaalsContact CG-CB 3.43Å; D50-R53 WeakPolarHBondContact OD1-CB 3.17Å; D50-R53 PolarHBondContact OD1-N 2.61Å; D50-T54 VanDerWaalsContact O-CB 3.28Å; D50-T54 WeakPolarHBondContact O-CB 3.42Å; D50-T54 PolarHBondContact O-N 3.35Å; D50-T54 PolarHBondContact O-OG1 3.3Å; D50-T294 VanDerWaalsContact OD2-CA 3.31Å; D50-T294 WeakPolarHBondContact OD2-CA 3.35Å; D50-T294 WeakPolarHBondContact OD2-CB 3.08Å; D50-H295 HydrophobicContact CB-CB 4.44Å; D50-H295 IonicContact OD2-CE1 2.61Å; D50-H295 IonicContact OD2-CG 3.69Å; D50-H295 PolarHBondContact OD2-N 2.98Å; D50-H295 IonicContact OD2-ND1 2.88Å; D50-H295 PolarHBondContact OD2-ND1 2.94Å
51	E	96.8	Very high	95.9	Very high	138 Å²	138	50.5 Å²	50.5	65%	0.645	25%	0.245	S	C	*	.	H	α-helix	trans	-67.5	-34.5	-179.6	-70.9	-167.4	178	0	0	112.2	K49 L55	K49-E51 VanDerWaalsContact C-N 3.32Å; K49-E51 PolarHBondContact O-N 3.43Å; E51-L55 HydrophobicContact CB-CD1 4.07Å; E51-L55 HydrophobicContact CB-CG 4.39Å; E51-L55 WeakPolarHBondContact O-CA 3.22Å; E51-L55 WeakPolarHBondContact O-CB 3.25Å; E51-L55 VanDerWaalsContact O-CG 3.25Å; E51-L55 WeakPolarHBondContact O-CG 3.44Å; E51-L55 PolarHBondContact O-N 2.91Å
52	I	96.9	Very high	96.4	Very high	31 Å²	31	45.3 Å²	45.3	16%	0.159	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-50.7	178.6	-69	-53.8	0	0	0	109.5	D50 T56 F284 R292 T294	D50-I52 VanDerWaalsContact C-N 3.35Å; D50-I52 PolarHBondContact OD1-N 2.76Å; I52-T56 VanDerWaalsContact O-CB 3.22Å; I52-T56 WeakPolarHBondContact O-CB 3.39Å; I52-T56 PolarHBondContact O-N 3.35Å; I52-T56 PolarHBondContact O-OG1 3.47Å; I52-F284 HydrophobicContact CG2-CB 3.52Å; I52-F284 HydrophobicContact CG2-CD2 4.19Å; I52-F284 HydrophobicContact CG2-CG 3.94Å; I52-R292 HydrophobicContact CD1-CB 4.3Å; I52-R292 HydrophobicContact CG1-CB 4.15Å; I52-T294 HydrophobicContact CB-CG2 4Å; I52-T294 HydrophobicContact CG2-CG2 3.79Å
53	R	97.9	Very high	96.8	Very high	16 Å²	16	50.9 Å²	50.9	6%	0.06	24%	0.243	C	C	.	.	H	α-helix	trans	-57.1	-62.3	173.7	-177.7	-171	86.7	146.5	11.8	110.6	M47 D50 L55 T56 Y57 E145 W296	M47-R53 VanDerWaalsContact C-CZ 3.5Å; M47-R53 VanDerWaalsContact CB-CZ 3.49Å; M47-R53 PolarHBondContact O-NE 3.14Å; M47-R53 PolarHBondContact O-NH2 3.35Å; M47-R53 PolarHBondContact SD-NH1 3.42Å; D50-R53 HydrophobicContact CB-CB 4Å; D50-R53 VanDerWaalsContact CG-CB 3.43Å; D50-R53 WeakPolarHBondContact OD1-CB 3.17Å; D50-R53 PolarHBondContact OD1-N 2.61Å; R53-L55 PolarHBondContact O-N 3.21Å; R53-T56 PolarHBondContact O-N 2.95Å; R53-Y57 HydrophobicContact CG-CD2 4.36Å; R53-Y57 HydrophobicContact CG-CE2 4.34Å; R53-Y57 WeakPolarHBondContact O-CD2 3.4Å; R53-Y57 PolarHBondContact O-N 3.08Å; R53-E145 HydrophobicContact CG-CG 4.32Å; R53-E145 IonicContact CZ-OE2 3.02Å; R53-E145 IonicContact NH1-OE2 2.72Å; R53-E145 PolarHBondContact NH1-OE2 3.44Å; R53-W296 HydrophobicContact CB-CH2 4.06Å; R53-W296 HydrophobicContact CB-CZ3 3.88Å; R53-W296 VanDerWaalsContact CD-CH2 3.46Å; R53-W296 HydrophobicContact CG-CH2 3.51Å; R53-W296 HydrophobicContact CG-CZ3 3.88Å
54	T	98.2	Very high	97.1	Very high	14 Å²	14	48.6 Å²	48.6	9%	0.086	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-39.7	-165.3	-54.8	0	0	0	0	112.1	M47 D50 R58 F86	M47-T54 PolarHBondContact O-OG1 2.99Å; D50-T54 VanDerWaalsContact O-CB 3.28Å; D50-T54 WeakPolarHBondContact O-CB 3.42Å; D50-T54 PolarHBondContact O-N 3.35Å; D50-T54 PolarHBondContact O-OG1 3.3Å; T54-R58 WeakPolarHBondContact O-CB 3.27Å; T54-R58 PolarHBondContact O-N 2.77Å; T54-R58 VanDerWaalsContact O-N 3.09Å; T54-F86 HydrophobicContact CG2-CE2 4.04Å; T54-F86 HydrophobicContact CG2-CZ 4.18Å
55	L	98.1	Very high	97.4	Very high	71 Å²	71	52.3 Å²	52.3	37%	0.372	25%	0.247	S	C	.	.	H	α-helix	trans	-75.4	-26	178.9	-61.6	178.8	0	0	0	113	E51 R53 S59	E51-L55 HydrophobicContact CB-CD1 4.07Å; E51-L55 HydrophobicContact CB-CG 4.39Å; E51-L55 WeakPolarHBondContact O-CA 3.22Å; E51-L55 WeakPolarHBondContact O-CB 3.25Å; E51-L55 VanDerWaalsContact O-CG 3.25Å; E51-L55 WeakPolarHBondContact O-CG 3.44Å; E51-L55 PolarHBondContact O-N 2.91Å; R53-L55 PolarHBondContact O-N 3.21Å; L55-S59 VanDerWaalsContact O-CB 3.22Å; L55-S59 WeakPolarHBondContact O-CB 3.46Å; L55-S59 PolarHBondContact O-N 3.34Å; L55-S59 PolarHBondContact O-OG 2.84Å
56	T	98.4	Very high	97.5	Very high	21 Å²	21	54.1 Å²	54.1	13%	0.129	26%	0.255	C	S	.	.	H	α-helix	trans	-68.7	-48.1	175	-58.2	0	0	0	0	110.6	I52 R53 R58 S59 A60 F275 T282 F284	I52-T56 VanDerWaalsContact O-CB 3.22Å; I52-T56 WeakPolarHBondContact O-CB 3.39Å; I52-T56 PolarHBondContact O-N 3.35Å; I52-T56 PolarHBondContact O-OG1 3.47Å; R53-T56 PolarHBondContact O-N 2.95Å; T56-R58 VanDerWaalsContact C-N 3.34Å; T56-R58 PolarHBondContact O-N 3.42Å; T56-S59 PolarHBondContact O-N 2.83Å; T56-S59 VanDerWaalsContact O-N 3.12Å; T56-A60 WeakPolarHBondContact O-CB 3.46Å; T56-A60 PolarHBondContact O-N 3.31Å; T56-F275 HydrophobicContact CG2-CD2 4.17Å; T56-F275 HydrophobicContact CG2-CE2 3.75Å; T56-T282 HydrophobicContact CG2-CG2 4Å; T56-F284 HydrophobicContact CG2-CD1 3.75Å; T56-F284 HydrophobicContact CG2-CE1 4.47Å
57	Y	98.7	Very high	97.7	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-57.4	-46.2	172	-84.2	-89.9	0	0	0	112.2	R53 S59 A60 L61 L83 I143 S144 E145 M147 P176 F275 F284	R53-Y57 HydrophobicContact CG-CD2 4.36Å; R53-Y57 HydrophobicContact CG-CE2 4.34Å; R53-Y57 WeakPolarHBondContact O-CD2 3.4Å; R53-Y57 PolarHBondContact O-N 3.08Å; Y57-S59 VanDerWaalsContact C-N 3.29Å; Y57-S59 PolarHBondContact O-N 3.32Å; Y57-A60 PolarHBondContact O-N 2.86Å; Y57-L61 PolarHBondContact O-N 2.91Å; Y57-L83 HydrophobicContact CD1-CD1 3.92Å; Y57-L83 HydrophobicContact CD1-CD2 3.97Å; Y57-L83 HydrophobicContact CE1-CD1 4.06Å; Y57-L83 HydrophobicContact CG-CD2 3.9Å; Y57-I143 HydrophobicContact CD1-CD1 4.05Å; Y57-I143 HydrophobicContact CD1-CG1 4.09Å; Y57-I143 HydrophobicContact CE1-CG1 4.16Å; Y57-S144 WeakPolarHBondContact CE1-O 3.36Å; Y57-S144 PolarHBondContact OH-O 2.9Å; Y57-E145 HydrophobicContact CE2-CB 4.37Å; Y57-E145 HydrophobicContact CE2-CG 3.91Å; Y57-E145 WeakPolarHBondContact OH-CA 3.41Å; Y57-M147 HydrophobicContact CE2-CE 4.14Å; Y57-M147 VanDerWaalsContact OH-CE 3.24Å; Y57-M147 WeakPolarHBondContact OH-CE 3.27Å; Y57-P176 WeakPolarHBondContact OH-CD 3.45Å; Y57-F275 AromaticContact CD1-CE1 3.94Å; Y57-F275 HydrophobicContact CD1-CE1 3.94Å; Y57-F275 AromaticContact CD1-CZ 3.84Å; Y57-F275 HydrophobicContact CD1-CZ 3.84Å; Y57-F275 HydrophobicContact CD2-CZ 4.14Å; Y57-F275 HydrophobicContact CE1-CE1 4.01Å; Y57-F275 AromaticContact CE1-CZ 3.84Å; Y57-F275 HydrophobicContact CE1-CZ 3.84Å; Y57-F275 HydrophobicContact CE2-CZ 4.11Å; Y57-F275 HydrophobicContact CG-CE1 4.47Å; Y57-F275 HydrophobicContact CG-CZ 4Å; Y57-F275 AromaticContact CZ-CZ 3.97Å; Y57-F284 HydrophobicContact CE2-CE1 4.44Å
58	R	98.5	Very high	97.9	Very high	108 Å²	108	50.7 Å²	50.7	41%	0.408	24%	0.24	S	C	.	.	H	α-helix	trans	-56.5	-45.1	175.2	-176.9	-176.7	160.8	-149.2	-6.3	111.5	T54 T56 L61 I62 F86	T54-R58 WeakPolarHBondContact O-CB 3.27Å; T54-R58 PolarHBondContact O-N 2.77Å; T54-R58 VanDerWaalsContact O-N 3.09Å; T56-R58 VanDerWaalsContact C-N 3.34Å; T56-R58 PolarHBondContact O-N 3.42Å; R58-L61 PolarHBondContact O-N 3.04Å; R58-I62 HydrophobicContact CG-CG1 3.99Å; R58-I62 VanDerWaalsContact O-CB 3.25Å; R58-I62 WeakPolarHBondContact O-CB 3.31Å; R58-I62 VanDerWaalsContact O-CG1 3.22Å; R58-I62 WeakPolarHBondContact O-CG1 3.49Å; R58-I62 PolarHBondContact O-N 3.13Å; R58-F86 HydrophobicContact CB-CD1 4.33Å; R58-F86 HydrophobicContact CB-CD2 3.82Å; R58-F86 HydrophobicContact CB-CE1 4.15Å; R58-F86 HydrophobicContact CB-CE2 3.61Å; R58-F86 HydrophobicContact CB-CG 4.18Å; R58-F86 HydrophobicContact CB-CZ 3.79Å; R58-F86 HydrophobicContact CG-CD1 3.9Å; R58-F86 HydrophobicContact CG-CD2 4.29Å; R58-F86 HydrophobicContact CG-CE1 3.8Å; R58-F86 HydrophobicContact CG-CE2 4.19Å; R58-F86 HydrophobicContact CG-CG 4.16Å; R58-F86 HydrophobicContact CG-CZ 3.95Å
59	S	98.1	Very high	98	Very high	35 Å²	35	54.7 Å²	54.7	25%	0.245	25%	0.25	C	S	.	.	H	α-helix	trans	-67.6	-42	-178.3	-65.4	0	0	0	0	111.7	L55 T56 Y57 L61 I62 H63	L55-S59 VanDerWaalsContact O-CB 3.22Å; L55-S59 WeakPolarHBondContact O-CB 3.46Å; L55-S59 PolarHBondContact O-N 3.34Å; L55-S59 PolarHBondContact O-OG 2.84Å; T56-S59 PolarHBondContact O-N 2.83Å; T56-S59 VanDerWaalsContact O-N 3.12Å; Y57-S59 VanDerWaalsContact C-N 3.29Å; Y57-S59 PolarHBondContact O-N 3.32Å; S59-L61 PolarHBondContact O-N 3.09Å; S59-I62 PolarHBondContact O-N 3.38Å; S59-H63 VanDerWaalsContact O-CB 3.3Å; S59-H63 WeakPolarHBondContact O-CB 3.49Å; S59-H63 PolarHBondContact O-N 3.16Å
60	A	98.5	Very high	98	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-55.3	-41.1	176	0	0	0	0	0	111.4	T56 Y57 N64 F275 T282	T56-A60 WeakPolarHBondContact O-CB 3.46Å; T56-A60 PolarHBondContact O-N 3.31Å; Y57-A60 PolarHBondContact O-N 2.86Å; A60-N64 VanDerWaalsContact O-CB 3.29Å; A60-N64 WeakPolarHBondContact O-CB 3.33Å; A60-N64 PolarHBondContact O-ND2 3.16Å; A60-F275 HydrophobicContact CB-CB 4.29Å; A60-F275 HydrophobicContact CB-CD1 3.47Å; A60-F275 VanDerWaalsContact CB-CD1 3.47Å; A60-F275 HydrophobicContact CB-CD2 4.42Å; A60-F275 HydrophobicContact CB-CE1 3.81Å; A60-F275 HydrophobicContact CB-CG 3.82Å; A60-F275 HydrophobicContact CB-CZ 4.44Å; A60-T282 HydrophobicContact CB-CG2 4.1Å
61	L	98.5	Very high	98.1	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-79.4	-53.5	176.6	-67.2	170.8	0	0	0	113.3	Y57 R58 S59 H63 N64 K65 V68 F86 A87 A90 I143 M175	Y57-L61 PolarHBondContact O-N 2.91Å; R58-L61 PolarHBondContact O-N 3.04Å; S59-L61 PolarHBondContact O-N 3.09Å; L61-H63 PolarHBondContact O-N 3.24Å; L61-N64 CarbonylContact O-C 3.54Å; L61-N64 PolarHBondContact O-N 3.11Å; L61-K65 PolarHBondContact O-N 2.9Å; L61-V68 HydrophobicContact CD2-CG1 4.35Å; L61-V68 HydrophobicContact CD2-CG2 3.69Å; L61-F86 HydrophobicContact CD1-CB 3.55Å; L61-A87 HydrophobicContact CD1-CB 4.29Å; L61-A90 HydrophobicContact CB-CB 4Å; L61-A90 WeakPolarHBondContact O-CB 3.48Å; L61-I143 HydrophobicContact CD1-CD1 3.56Å; L61-I143 HydrophobicContact CD2-CD1 4.08Å; L61-I143 HydrophobicContact CG-CD1 4Å; L61-M175 HydrophobicContact CD2-SD 3.84Å
62	I	97.4	Very high	98.2	Very high	29 Å²	29	51 Å²	51	15%	0.149	24%	0.238	C	C	.	.	H	α-helix	trans	-72.8	-32.5	-168.6	-64.4	-69.1	0	0	0	112.7	R58 S59 K65 K89 A90	R58-I62 HydrophobicContact CG-CG1 3.99Å; R58-I62 VanDerWaalsContact O-CB 3.25Å; R58-I62 WeakPolarHBondContact O-CB 3.31Å; R58-I62 VanDerWaalsContact O-CG1 3.22Å; R58-I62 WeakPolarHBondContact O-CG1 3.49Å; R58-I62 PolarHBondContact O-N 3.13Å; S59-I62 PolarHBondContact O-N 3.38Å; I62-K65 WeakPolarHBondContact O-CE 3.43Å; I62-K65 WeakPolarHBondContact O-CG 3.38Å; I62-K89 HydrophobicContact CD1-CB 4Å; I62-K89 HydrophobicContact CD1-CD 4.41Å; I62-K89 HydrophobicContact CD1-CG 3.91Å; I62-A90 HydrophobicContact CD1-CB 4.06Å
63	H	97.8	Very high	98.3	Very high	141 Å²	141	49.6 Å²	49.6	65%	0.653	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-13.3	176.8	-59.4	141.8	0	0	0	112.8	S59 L61	S59-H63 VanDerWaalsContact O-CB 3.3Å; S59-H63 WeakPolarHBondContact O-CB 3.49Å; S59-H63 PolarHBondContact O-N 3.16Å; L61-H63 PolarHBondContact O-N 3.24Å
64	N	98.2	Very high	98.3	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	42.2	178.3	-51.9	-81.7	0	0	0	111.9	A60 L61 H66 L67 C278 H279	A60-N64 VanDerWaalsContact O-CB 3.29Å; A60-N64 WeakPolarHBondContact O-CB 3.33Å; A60-N64 PolarHBondContact O-ND2 3.16Å; L61-N64 CarbonylContact O-C 3.54Å; L61-N64 PolarHBondContact O-N 3.11Å; N64-H66 PolarHBondContact O-N 2.82Å; N64-L67 HydrophobicContact CB-CD1 3.69Å; N64-L67 HydrophobicContact CB-CG 4.05Å; N64-L67 WeakPolarHBondContact O-CB 3.31Å; N64-L67 PolarHBondContact O-N 3.12Å; N64-C278 PolarHBondContact ND2-SG 2.88Å; N64-H279 PolarHBondContact OD1-N 2.73Å
65	K	98.1	Very high	98.3	Very high	87 Å²	87	48.2 Å²	48.2	38%	0.378	23%	0.225	S	C	.	.	H	α-helix	trans	-52.7	-26.8	179.3	-57.6	-167.9	179.9	-175.9	0	114	L61 I62 L67 V68 R69 A90	L61-K65 PolarHBondContact O-N 2.9Å; I62-K65 WeakPolarHBondContact O-CE 3.43Å; I62-K65 WeakPolarHBondContact O-CG 3.38Å; K65-L67 PolarHBondContact O-N 3.11Å; K65-V68 PolarHBondContact O-N 2.95Å; K65-R69 WeakPolarHBondContact O-CB 3.23Å; K65-R69 PolarHBondContact O-N 3.49Å; K65-A90 WeakPolarHBondContact CB-O 3.15Å; K65-A90 HydrophobicContact CG-CB 4.49Å; K65-A90 WeakPolarHBondContact CG-O 3.33Å
66	H	97.9	Very high	98.4	Very high	122 Å²	122	44.9 Å²	44.9	57%	0.565	21%	0.207	S	C	*	.	H	α-helix	trans	-64.7	-25.3	176.6	62.7	-82.4	0	0	0	113.1	N64	N64-H66 PolarHBondContact O-N 2.82Å
67	L	97.7	Very high	98.3	Very high	32 Å²	32	45.1 Å²	45.1	17%	0.168	21%	0.214	C	C	.	.	H	α-helix	trans	-80	-32.7	173.2	-56.1	177.6	0	0	0	112	N64 K65 K71 I173 M175 S277	N64-L67 HydrophobicContact CB-CD1 3.69Å; N64-L67 HydrophobicContact CB-CG 4.05Å; N64-L67 WeakPolarHBondContact O-CB 3.31Å; N64-L67 PolarHBondContact O-N 3.12Å; K65-L67 PolarHBondContact O-N 3.11Å; L67-K71 VanDerWaalsContact O-CG 3.23Å; L67-K71 WeakPolarHBondContact O-CG 3.49Å; L67-I173 HydrophobicContact CB-CD1 4.1Å; L67-I173 HydrophobicContact CD2-CD1 4.11Å; L67-I173 HydrophobicContact CG-CD1 4.47Å; L67-M175 HydrophobicContact CD1-CE 3.97Å; L67-S277 VanDerWaalsContact CD1-O 3.31Å; L67-S277 WeakPolarHBondContact CD1-O 3.44Å
68	V	98.2	Very high	98.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-100.1	-25.7	-168.1	-171	0	0	0	0	113.1	L61 K65 D70 K71 V73 A90 A92 I141	L61-V68 HydrophobicContact CD2-CG1 4.35Å; L61-V68 HydrophobicContact CD2-CG2 3.69Å; K65-V68 PolarHBondContact O-N 2.95Å; V68-D70 PolarHBondContact O-N 3.38Å; V68-K71 VanDerWaalsContact O-CB 3.27Å; V68-K71 WeakPolarHBondContact O-CB 3.45Å; V68-K71 PolarHBondContact O-N 2.89Å; V68-K71 VanDerWaalsContact O-N 3.14Å; V68-V73 HydrophobicContact CG1-CG2 4.26Å; V68-A90 HydrophobicContact CB-CB 4.13Å; V68-A90 HydrophobicContact CG1-CB 3.96Å; V68-A90 HydrophobicContact CG2-CB 4.4Å; V68-A92 HydrophobicContact CG1-CB 3.81Å; V68-A92 VanDerWaalsContact O-CA 3.27Å; V68-A92 WeakPolarHBondContact O-CA 3.32Å; V68-I141 HydrophobicContact CB-CD1 4.36Å; V68-I141 HydrophobicContact CG1-CD1 4.42Å; V68-I141 HydrophobicContact CG2-CD1 4.11Å
69	R	98.4	Very high	98.1	Very high	152 Å²	152	40.5 Å²	40.5	57%	0.574	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	132.1	-175.4	-179.7	179.5	-68	160.7	-1.6	111.1	K65 K71 G91	K65-R69 WeakPolarHBondContact O-CB 3.23Å; K65-R69 PolarHBondContact O-N 3.49Å; R69-K71 PolarHBondContact O-N 2.81Å; R69-K71 VanDerWaalsContact O-N 3.12Å; R69-G91 WeakPolarHBondContact CA-O 3.5Å
70	D	98.4	Very high	98.1	Very high	119 Å²	119	40.1 Å²	40.1	64%	0.636	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	14.7	178.9	-54.6	-41.4	0	0	0	114.6	V68 G91	V68-D70 PolarHBondContact O-N 3.38Å; D70-G91 PolarHBondContact N-O 3.15Å
71	K	98.7	Very high	98.1	Very high	76 Å²	76	40.1 Å²	40.1	33%	0.33	20%	0.195	S	C	.	.			trans	-93.5	154.7	178.3	-61.4	-42.9	-150.4	153	0	113.6	L67 V68 R69 A92 K93 H94 D140 I141	L67-K71 VanDerWaalsContact O-CG 3.23Å; L67-K71 WeakPolarHBondContact O-CG 3.49Å; V68-K71 VanDerWaalsContact O-CB 3.27Å; V68-K71 WeakPolarHBondContact O-CB 3.45Å; V68-K71 PolarHBondContact O-N 2.89Å; V68-K71 VanDerWaalsContact O-N 3.14Å; R69-K71 PolarHBondContact O-N 2.81Å; R69-K71 VanDerWaalsContact O-N 3.12Å; K71-A92 CarbonylContact O-C 3.6Å; K71-A92 WeakPolarHBondContact O-CA 3.3Å; K71-K93 PolarHBondContact O-N 2.78Å; K71-H94 PolarHBondContact O-N 3.24Å; K71-D140 WeakPolarHBondContact CA-OD2 3.26Å; K71-D140 HydrophobicContact CB-CB 3.83Å; K71-D140 HydrophobicContact CD-CB 3.91Å; K71-D140 HydrophobicContact CG-CB 4.07Å; K71-D140 IonicContact NZ-OD1 2.84Å; K71-D140 PolarHBondContact NZ-OD1 2.85Å; K71-I141 HydrophobicContact CB-CD1 4.25Å; K71-I141 HydrophobicContact CB-CG1 4.47Å; K71-I141 HydrophobicContact CG-CD1 4.37Å
72	V	98.8	Very high	98.1	Very high	11 Å²	11	42 Å²	42	7%	0.067	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.4	167.9	-175.9	0	0	0	0	109.1	H94 I96 Y136 V139 D140 I141	V72-H94 WeakPolarHBondContact CA-O 3.45Å; V72-I96 HydrophobicContact CG1-CD1 4.14Å; V72-Y136 HydrophobicContact CB-CD1 4.47Å; V72-Y136 HydrophobicContact CG1-CD1 4.04Å; V72-Y136 HydrophobicContact CG1-CG 4.06Å; V72-Y136 HydrophobicContact CG2-CD1 3.62Å; V72-Y136 HydrophobicContact CG2-CE1 3.75Å; V72-Y136 HydrophobicContact CG2-CG 4.46Å; V72-V139 HydrophobicContact CG1-CB 4.41Å; V72-V139 HydrophobicContact CG1-CG1 3.89Å; V72-D140 PolarHBondContact N-OD2 3.29Å; V72-D140 PolarHBondContact O-N 3.26Å; V72-I141 PolarHBondContact O-N 2.77Å
73	V	98.9	Very high	98.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.9	-176.9	-176	0	0	0	0	110	V68 A87 A92 H94 A95 I96 I141 I143	V68-V73 HydrophobicContact CG1-CG2 4.26Å; V73-A87 HydrophobicContact CB-CB 4.24Å; V73-A87 HydrophobicContact CG1-CB 4.13Å; V73-A87 HydrophobicContact CG2-CB 4.11Å; V73-A92 HydrophobicContact CG2-CB 3.7Å; V73-H94 PolarHBondContact N-O 3.09Å; V73-A95 CarbonylContact O-C 3.59Å; V73-A95 WeakPolarHBondContact O-CA 3.26Å; V73-I96 PolarHBondContact O-N 2.96Å; V73-I141 CarbonylContact C-O 3.52Å; V73-I141 WeakPolarHBondContact CA-O 3.26Å; V73-I141 HydrophobicContact CG1-CB 4.32Å; V73-I141 HydrophobicContact CG1-CG2 4.33Å; V73-I141 HydrophobicContact CG2-CB 4.14Å; V73-I141 HydrophobicContact CG2-CD1 4.26Å; V73-I143 HydrophobicContact CG1-CB 4.28Å; V73-I143 HydrophobicContact CG1-CG2 3.59Å
74	L	98.9	Very high	98.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.1	169.3	178.7	62.4	0	0	0	109.8	V76 I96 I98 L132 V139 I141 V142 I143 A163 W167	L74-V76 HydrophobicContact CD2-CG2 4.02Å; L74-V76 HydrophobicContact CG-CG2 3.94Å; L74-I96 CarbonylContact C-O 3.54Å; L74-I96 WeakPolarHBondContact CA-O 3.24Å; L74-I96 HydrophobicContact CD1-CB 4.17Å; L74-I96 HydrophobicContact CD1-CG2 4.18Å; L74-I98 HydrophobicContact CD1-CD1 3.74Å; L74-I98 HydrophobicContact CD1-CG1 3.97Å; L74-L132 HydrophobicContact CD1-CD2 3.92Å; L74-V139 HydrophobicContact CB-CB 4.23Å; L74-V139 HydrophobicContact CB-CG1 4.04Å; L74-V139 HydrophobicContact CB-CG2 3.81Å; L74-V139 HydrophobicContact CD2-CG2 4.42Å; L74-I141 PolarHBondContact N-O 3.31Å; L74-V142 HydrophobicContact CB-CG2 4.34Å; L74-V142 HydrophobicContact CD2-CG2 4.31Å; L74-V142 CarbonylContact O-C 3.6Å; L74-V142 WeakPolarHBondContact O-CA 3.45Å; L74-I143 PolarHBondContact O-N 3.47Å; L74-A163 HydrophobicContact CD2-CB 4.11Å; L74-W167 HydrophobicContact CD2-CB 4.43Å; L74-W167 HydrophobicContact CD2-CD2 4.45Å; L74-W167 HydrophobicContact CD2-CE3 3.61Å; L74-W167 HydrophobicContact CD2-CZ3 4.21Å
75	D	98.9	Very high	98.2	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.011	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	106.6	174.6	-173.7	5	0	0	0	109.5	C78 L83 C84 I96 I98 I143	D75-C78 HydrophobicContact CB-CB 3.97Å; D75-C78 VanDerWaalsContact CG-CB 3.44Å; D75-C78 VanDerWaalsContact OD2-CB 3.26Å; D75-C78 WeakPolarHBondContact OD2-CB 3.35Å; D75-L83 WeakPolarHBondContact OD2-CB 3.38Å; D75-C84 WeakPolarHBondContact CB-SG 3.33Å; D75-C84 PolarHBondContact OD2-N 2.84Å; D75-C84 PolarHBondContact OD2-SG 3.41Å; D75-I96 PolarHBondContact N-O 2.76Å; D75-I98 PolarHBondContact O-N 3.01Å; D75-I143 VanDerWaalsContact CA-O 3.3Å; D75-I143 WeakPolarHBondContact CA-O 3.43Å; D75-I143 HydrophobicContact CB-CG2 3.84Å
76	V	98.5	Very high	98.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	112.9	-174.4	-177.3	0	0	0	0	109.2	L74 V127 V142 I143 S144 M156 T159 V160 A163	L74-V76 HydrophobicContact CD2-CG2 4.02Å; L74-V76 HydrophobicContact CG-CG2 3.94Å; V76-V127 HydrophobicContact CG1-CG1 4.38Å; V76-V127 HydrophobicContact CG1-CG2 3.84Å; V76-V142 HydrophobicContact CG2-CG1 3.9Å; V76-I143 PolarHBondContact N-O 2.64Å; V76-S144 PolarHBondContact O-OG 3.24Å; V76-M156 VanDerWaalsContact O-CE 3.3Å; V76-M156 WeakPolarHBondContact O-CE 3.02Å; V76-T159 HydrophobicContact CG1-CG2 3.85Å; V76-V160 HydrophobicContact CG1-CG2 4.24Å; V76-A163 HydrophobicContact CG2-CB 3.68Å
77	G	96.9	Very high	98.3	Very high	26 Å²	26	26.6 Å²	26.6	27%	0.268	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	53.7	-169.7	0	0	0	0	0	111.3	G79 I98 D99	G77-G79 PolarHBondContact O-N 3.22Å; G77-G79 VanDerWaalsContact O-N 3.13Å; G77-I98 VanDerWaalsContact CA-O 3.25Å; G77-I98 WeakPolarHBondContact CA-O 3.14Å; G77-I98 PolarHBondContact N-O 2.86Å; G77-D99 VanDerWaalsContact C-OD2 3.28Å
78	C	97.9	Very high	98.3	Very high	6 Å²	6	25.3 Å²	25.3	4%	0.041	13%	0.128	C	C	.	.			trans	-66.8	-16.1	-167.9	70.5	0	0	0	0	114.5	D75 T80 A81 I98 D99	D75-C78 HydrophobicContact CB-CB 3.97Å; D75-C78 VanDerWaalsContact CG-CB 3.44Å; D75-C78 VanDerWaalsContact OD2-CB 3.26Å; D75-C78 WeakPolarHBondContact OD2-CB 3.35Å; C78-T80 PolarHBondContact O-N 3.3Å; C78-T80 VanDerWaalsContact O-N 3.08Å; C78-A81 WeakPolarHBondContact O-CA 3.4Å; C78-A81 PolarHBondContact O-N 3.43Å; C78-I98 PolarHBondContact N-O 3.12Å; C78-D99 PolarHBondContact N-OD2 3.23Å
79	G	96.6	Very high	98.3	Very high	6 Å²	6	31.8 Å²	31.8	6%	0.062	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-113.3	179.4	0	0	0	0	0	112.2	G77 A81 D99 A107	G77-G79 PolarHBondContact O-N 3.22Å; G77-G79 VanDerWaalsContact O-N 3.13Å; G79-A81 PolarHBondContact O-N 3.2Å; G79-D99 VanDerWaalsContact CA-OD2 3.3Å; G79-D99 WeakPolarHBondContact CA-OD2 3.25Å; G79-D99 PolarHBondContact N-OD2 2.85Å; G79-A107 WeakPolarHBondContact O-CB 3.24Å
80	T	97.1	Very high	98.3	Very high	27 Å²	27	24.7 Å²	24.7	17%	0.166	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	6.2	176.7	54.2	0	0	0	0	114.4	H44 L48 C78 I82 I103	H44-T80 HydrophobicContact CB-CG2 3.91Å; L48-T80 HydrophobicContact CD1-CG2 4.49Å; C78-T80 PolarHBondContact O-N 3.3Å; C78-T80 VanDerWaalsContact O-N 3.08Å; T80-I82 PolarHBondContact O-N 3.33Å; T80-I103 HydrophobicContact CG2-CD1 4.18Å; T80-I103 HydrophobicContact CG2-CG1 3.94Å
81	A	98.2	Very high	98.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	61.9	22.1	-175	0	0	0	0	0	114.8	C78 G79 L83 C84 L85 A107 V111 L122	C78-A81 WeakPolarHBondContact O-CA 3.4Å; C78-A81 PolarHBondContact O-N 3.43Å; G79-A81 PolarHBondContact O-N 3.2Å; A81-L83 VanDerWaalsContact C-N 3.3Å; A81-L83 PolarHBondContact O-N 3.36Å; A81-C84 HydrophobicContact CB-CB 4.14Å; A81-C84 WeakPolarHBondContact O-CB 3.3Å; A81-C84 PolarHBondContact O-N 2.91Å; A81-L85 WeakPolarHBondContact O-CG 3.29Å; A81-L85 PolarHBondContact O-N 2.88Å; A81-A107 HydrophobicContact CB-CB 3.96Å; A81-V111 HydrophobicContact CB-CG2 4Å; A81-L122 HydrophobicContact CB-CD1 4.19Å; A81-L122 HydrophobicContact CB-CD2 3.95Å
82	I	98.6	Very high	98.3	Very high	39 Å²	39	16.4 Å²	16.4	20%	0.2	9%	0.094	C	C	.	.	H	α-helix	trans	-60	-38.4	179.8	-173.6	58.7	0	0	0	112.5	L48 T80 L85 F86	L48-I82 HydrophobicContact CD2-CB 3.99Å; L48-I82 HydrophobicContact CD2-CG1 3.92Å; L48-I82 HydrophobicContact CD2-CG2 3.89Å; T80-I82 PolarHBondContact O-N 3.33Å; I82-L85 HydrophobicContact CD1-CD1 4.49Å; I82-L85 PolarHBondContact O-N 3.28Å; I82-F86 HydrophobicContact CD1-CE1 3.96Å; I82-F86 HydrophobicContact CD1-CE2 4.16Å; I82-F86 HydrophobicContact CD1-CZ 3.7Å; I82-F86 HydrophobicContact CG1-CD2 4.38Å; I82-F86 HydrophobicContact CG1-CE1 4.44Å; I82-F86 HydrophobicContact CG1-CE2 3.74Å; I82-F86 HydrophobicContact CG1-CZ 3.77Å; I82-F86 WeakPolarHBondContact O-CG 3.25Å; I82-F86 PolarHBondContact O-N 2.85Å; I82-F86 VanDerWaalsContact O-N 3.07Å
83	L	98.7	Very high	98.3	Very high	15 Å²	15	21.4 Å²	21.4	8%	0.079	12%	0.115	C	C	.	.	H	α-helix	trans	-73	-39.2	179.5	-55.4	-173.9	0	0	0	111.3	Y57 D75 A81 L85 F86 A87 I143 E145	Y57-L83 HydrophobicContact CD1-CD1 3.92Å; Y57-L83 HydrophobicContact CD1-CD2 3.97Å; Y57-L83 HydrophobicContact CE1-CD1 4.06Å; Y57-L83 HydrophobicContact CG-CD2 3.9Å; D75-L83 WeakPolarHBondContact OD2-CB 3.38Å; A81-L83 VanDerWaalsContact C-N 3.3Å; A81-L83 PolarHBondContact O-N 3.36Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 2.93Å; L83-F86 HydrophobicContact CD2-CD2 4.11Å; L83-F86 HydrophobicContact CD2-CE2 4.48Å; L83-F86 PolarHBondContact O-N 3.09Å; L83-A87 PolarHBondContact O-N 3.39Å; L83-I143 HydrophobicContact CB-CD1 4.17Å; L83-I143 HydrophobicContact CD1-CD1 4.39Å; L83-I143 HydrophobicContact CD1-CG1 4.17Å; L83-E145 HydrophobicContact CD1-CB 4.22Å
84	C	98.8	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-53.1	-47.8	167.5	-70.3	0	0	0	0	112.3	D75 A81 F86 A87 I88 A95 I120	D75-C84 WeakPolarHBondContact CB-SG 3.33Å; D75-C84 PolarHBondContact OD2-N 2.84Å; D75-C84 PolarHBondContact OD2-SG 3.41Å; A81-C84 HydrophobicContact CB-CB 4.14Å; A81-C84 WeakPolarHBondContact O-CB 3.3Å; A81-C84 PolarHBondContact O-N 2.91Å; C84-F86 VanDerWaalsContact C-N 3.34Å; C84-F86 PolarHBondContact O-N 3.26Å; C84-A87 WeakPolarHBondContact O-CB 3.1Å; C84-A87 PolarHBondContact O-N 2.88Å; C84-I88 PolarHBondContact O-N 3.47Å; C84-A95 HydrophobicContact CB-CB 4.09Å; C84-I120 HydrophobicContact CB-CD1 4.11Å; C84-I120 HydrophobicContact CB-CG2 4.02Å
85	L	98.8	Very high	98.3	Very high	19 Å²	19	22.2 Å²	22.2	10%	0.099	12%	0.118	C	C	.	.	H	α-helix	trans	-61.1	-41.5	177.9	-67.7	172.3	0	0	0	111.9	A81 I82 L83 K89 V110 V111 N114 M116 I120	A81-L85 WeakPolarHBondContact O-CG 3.29Å; A81-L85 PolarHBondContact O-N 2.88Å; I82-L85 HydrophobicContact CD1-CD1 4.49Å; I82-L85 PolarHBondContact O-N 3.28Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 2.93Å; L85-K89 WeakPolarHBondContact O-CB 3.5Å; L85-K89 PolarHBondContact O-N 3.19Å; L85-V110 HydrophobicContact CD1-CG1 3.9Å; L85-V111 HydrophobicContact CD2-CG2 4.38Å; L85-N114 HydrophobicContact CD2-CB 4.11Å; L85-M116 HydrophobicContact CD2-CB 4.37Å; L85-M116 HydrophobicContact CD2-CG 4.43Å; L85-M116 HydrophobicContact CD2-SD 3.56Å; L85-M116 VanDerWaalsContact CD2-SD 3.56Å; L85-I120 HydrophobicContact CD2-CD1 3.84Å; L85-I120 HydrophobicContact CG-CD1 4.47Å
86	F	98.7	Very high	98.3	Very high	26 Å²	26	22.1 Å²	22.1	11%	0.114	12%	0.118	C	C	.	.	H	α-helix	trans	-63.5	-40.7	174.5	-67	-28.8	0	0	0	112.3	T54 R58 L61 I82 L83 C84 K89 A90	T54-F86 HydrophobicContact CG2-CE2 4.04Å; T54-F86 HydrophobicContact CG2-CZ 4.18Å; R58-F86 HydrophobicContact CB-CD1 4.33Å; R58-F86 HydrophobicContact CB-CD2 3.82Å; R58-F86 HydrophobicContact CB-CE1 4.15Å; R58-F86 HydrophobicContact CB-CE2 3.61Å; R58-F86 HydrophobicContact CB-CG 4.18Å; R58-F86 HydrophobicContact CB-CZ 3.79Å; R58-F86 HydrophobicContact CG-CD1 3.9Å; R58-F86 HydrophobicContact CG-CD2 4.29Å; R58-F86 HydrophobicContact CG-CE1 3.8Å; R58-F86 HydrophobicContact CG-CE2 4.19Å; R58-F86 HydrophobicContact CG-CG 4.16Å; R58-F86 HydrophobicContact CG-CZ 3.95Å; L61-F86 HydrophobicContact CD1-CB 3.55Å; I82-F86 HydrophobicContact CD1-CE1 3.96Å; I82-F86 HydrophobicContact CD1-CE2 4.16Å; I82-F86 HydrophobicContact CD1-CZ 3.7Å; I82-F86 HydrophobicContact CG1-CD2 4.38Å; I82-F86 HydrophobicContact CG1-CE1 4.44Å; I82-F86 HydrophobicContact CG1-CE2 3.74Å; I82-F86 HydrophobicContact CG1-CZ 3.77Å; I82-F86 WeakPolarHBondContact O-CG 3.25Å; I82-F86 PolarHBondContact O-N 2.85Å; I82-F86 VanDerWaalsContact O-N 3.07Å; L83-F86 HydrophobicContact CD2-CD2 4.11Å; L83-F86 HydrophobicContact CD2-CE2 4.48Å; L83-F86 PolarHBondContact O-N 3.09Å; C84-F86 VanDerWaalsContact C-N 3.34Å; C84-F86 PolarHBondContact O-N 3.26Å; F86-K89 PolarHBondContact O-N 3.21Å; F86-A90 WeakPolarHBondContact O-CB 3.23Å; F86-A90 PolarHBondContact O-N 3.37Å
87	A	98.8	Very high	98.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-46.8	178.9	0	0	0	0	0	111.5	L61 V73 L83 C84 K89 A90 G91 A92	L61-A87 HydrophobicContact CD1-CB 4.29Å; V73-A87 HydrophobicContact CB-CB 4.24Å; V73-A87 HydrophobicContact CG1-CB 4.13Å; V73-A87 HydrophobicContact CG2-CB 4.11Å; L83-A87 PolarHBondContact O-N 3.39Å; C84-A87 WeakPolarHBondContact O-CB 3.1Å; C84-A87 PolarHBondContact O-N 2.88Å; A87-K89 VanDerWaalsContact C-N 3.33Å; A87-K89 PolarHBondContact O-N 2.92Å; A87-A90 WeakPolarHBondContact O-CB 3.28Å; A87-A90 PolarHBondContact O-N 3.39Å; A87-A90 VanDerWaalsContact O-N 3.14Å; A87-G91 PolarHBondContact O-N 3.06Å; A87-G91 VanDerWaalsContact O-N 3.13Å; A87-A92 HydrophobicContact CB-CB 4.2Å; A87-A92 VanDerWaalsContact O-CB 3.31Å; A87-A92 WeakPolarHBondContact O-CB 3.22Å; A87-A92 PolarHBondContact O-N 3.06Å
88	I	98.7	Very high	98.4	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-61.5	-42	175.9	-66.5	-48.9	0	0	0	111.7	C84 A90 G91 A92 A95 M116 R119 I120	C84-I88 PolarHBondContact O-N 3.47Å; I88-A90 VanDerWaalsContact C-N 3.28Å; I88-A90 PolarHBondContact O-N 2.85Å; I88-G91 PolarHBondContact O-N 2.86Å; I88-A92 HydrophobicContact CD1-CB 4.2Å; I88-A95 HydrophobicContact CD1-CB 3.9Å; I88-A95 HydrophobicContact CG1-CB 4.12Å; I88-M116 HydrophobicContact CB-SD 3.95Å; I88-M116 HydrophobicContact CG2-CB 4.47Å; I88-M116 HydrophobicContact CG2-CE 4.27Å; I88-M116 HydrophobicContact CG2-CG 4.06Å; I88-M116 HydrophobicContact CG2-SD 3.63Å; I88-R119 HydrophobicContact CD1-CB 3.85Å; I88-R119 WeakPolarHBondContact CD1-O 3.44Å; I88-R119 HydrophobicContact CG1-CB 4.41Å; I88-I120 HydrophobicContact CD1-CG1 4.24Å; I88-I120 HydrophobicContact CG1-CD1 3.76Å; I88-I120 HydrophobicContact CG1-CG1 3.49Å; I88-I120 VanDerWaalsContact CG1-CG1 3.49Å
89	K	98	Very high	98.3	Very high	136 Å²	136	21.3 Å²	21.3	59%	0.591	11%	0.107	S	C	*	.	H	α-helix	trans	-67.6	-27.2	176.7	-167.9	170	-174.6	168.2	0	113.1	I62 L85 F86 A87 G91	I62-K89 HydrophobicContact CD1-CB 4Å; I62-K89 HydrophobicContact CD1-CD 4.41Å; I62-K89 HydrophobicContact CD1-CG 3.91Å; L85-K89 WeakPolarHBondContact O-CB 3.5Å; L85-K89 PolarHBondContact O-N 3.19Å; F86-K89 PolarHBondContact O-N 3.21Å; A87-K89 VanDerWaalsContact C-N 3.33Å; A87-K89 PolarHBondContact O-N 2.92Å; K89-G91 VanDerWaalsContact C-N 3.3Å
90	A	98.4	Very high	98.2	Very high	2 Å²	2	22.8 Å²	22.8	2%	0.017	12%	0.116	C	C	.	.	H	α-helix	trans	-75.7	-18.4	172	0	0	0	0	0	112.9	L61 I62 K65 V68 F86 A87 I88	L61-A90 HydrophobicContact CB-CB 4Å; L61-A90 WeakPolarHBondContact O-CB 3.48Å; I62-A90 HydrophobicContact CD1-CB 4.06Å; K65-A90 WeakPolarHBondContact CB-O 3.15Å; K65-A90 HydrophobicContact CG-CB 4.49Å; K65-A90 WeakPolarHBondContact CG-O 3.33Å; V68-A90 HydrophobicContact CB-CB 4.13Å; V68-A90 HydrophobicContact CG1-CB 3.96Å; V68-A90 HydrophobicContact CG2-CB 4.4Å; F86-A90 WeakPolarHBondContact O-CB 3.23Å; F86-A90 PolarHBondContact O-N 3.37Å; A87-A90 WeakPolarHBondContact O-CB 3.28Å; A87-A90 PolarHBondContact O-N 3.39Å; A87-A90 VanDerWaalsContact O-N 3.14Å; I88-A90 VanDerWaalsContact C-N 3.28Å; I88-A90 PolarHBondContact O-N 2.85Å
91	G	98.5	Very high	98	Very high	21 Å²	21	21.7 Å²	21.7	22%	0.216	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	114	13.2	174.9	0	0	0	0	0	114.9	R69 D70 A87 I88 K89 K93	R69-G91 WeakPolarHBondContact CA-O 3.5Å; D70-G91 PolarHBondContact N-O 3.15Å; A87-G91 PolarHBondContact O-N 3.06Å; A87-G91 VanDerWaalsContact O-N 3.13Å; I88-G91 PolarHBondContact O-N 2.86Å; K89-G91 VanDerWaalsContact C-N 3.3Å; G91-K93 PolarHBondContact O-N 2.77Å
92	A	98.7	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.			trans	-53.2	137.2	173.9	0	0	0	0	0	111.1	V68 K71 V73 A87 I88 H94 R119	V68-A92 HydrophobicContact CG1-CB 3.81Å; V68-A92 VanDerWaalsContact O-CA 3.27Å; V68-A92 WeakPolarHBondContact O-CA 3.32Å; K71-A92 CarbonylContact O-C 3.6Å; K71-A92 WeakPolarHBondContact O-CA 3.3Å; V73-A92 HydrophobicContact CG2-CB 3.7Å; A87-A92 HydrophobicContact CB-CB 4.2Å; A87-A92 VanDerWaalsContact O-CB 3.31Å; A87-A92 WeakPolarHBondContact O-CB 3.22Å; A87-A92 PolarHBondContact O-N 3.06Å; I88-A92 HydrophobicContact CD1-CB 4.2Å; A92-H94 VanDerWaalsContact C-N 3.32Å; A92-H94 PolarHBondContact O-N 2.82Å; A92-R119 PolarHBondContact O-NH2 2.99Å
93	K	98.5	Very high	97.6	Very high	117 Å²	117	24.1 Å²	24.1	51%	0.509	12%	0.123	S	C	.	.	S	Bend	trans	-57.9	-49.7	174.7	177.6	-179.2	175.8	-174.5	0	110.3	K71 G91	K71-K93 PolarHBondContact O-N 2.78Å; G91-K93 PolarHBondContact O-N 2.77Å
94	H	98.8	Very high	97.4	Very high	17 Å²	17	23.4 Å²	23.4	8%	0.079	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	145.3	-179	-151.3	88.1	0	0	0	109.8	K71 V72 V73 A92 R119 T121 Y136	K71-H94 PolarHBondContact O-N 3.24Å; V72-H94 WeakPolarHBondContact CA-O 3.45Å; V73-H94 PolarHBondContact N-O 3.09Å; A92-H94 VanDerWaalsContact C-N 3.32Å; A92-H94 PolarHBondContact O-N 2.82Å; H94-R119 WeakPolarHBondContact CA-O 3.38Å; H94-T121 PolarHBondContact NE2-OG1 2.77Å; H94-Y136 HydrophobicContact CB-CE1 4.34Å; H94-Y136 HydrophobicContact CB-CE2 4Å; H94-Y136 WeakPolarHBondContact CB-OH 3.43Å; H94-Y136 AromaticContact CD2-CE2 3.6Å; H94-Y136 AromaticContact CG-CE2 3.57Å; H94-Y136 AromaticContact CG-CZ 3.68Å; H94-Y136 AromaticContact ND1-CE2 3.95Å; H94-Y136 AromaticContact ND1-CZ 3.98Å; H94-Y136 PolarHBondContact ND1-OH 3.38Å; H94-Y136 AromaticContact NE2-CE2 3.99Å
95	A	98.8	Very high	97.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.2	169.3	0	0	0	0	0	109.5	V73 C84 I88 R119 I120 T121	V73-A95 CarbonylContact O-C 3.59Å; V73-A95 WeakPolarHBondContact O-CA 3.26Å; C84-A95 HydrophobicContact CB-CB 4.09Å; I88-A95 HydrophobicContact CD1-CB 3.9Å; I88-A95 HydrophobicContact CG1-CB 4.12Å; A95-R119 PolarHBondContact N-O 3.2Å; A95-I120 HydrophobicContact CB-CG1 4.31Å; A95-I120 CarbonylContact O-C 3.6Å; A95-I120 VanDerWaalsContact O-CA 3.28Å; A95-I120 WeakPolarHBondContact O-CA 3.36Å; A95-T121 PolarHBondContact O-N 2.82Å
96	I	98.9	Very high	97.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.4	175.7	-54.7	164.7	0	0	0	106.6	V72 V73 L74 D75 T121 I123 L132 P133 Y136 V139	V72-I96 HydrophobicContact CG1-CD1 4.14Å; V73-I96 PolarHBondContact O-N 2.96Å; L74-I96 CarbonylContact C-O 3.54Å; L74-I96 WeakPolarHBondContact CA-O 3.24Å; L74-I96 HydrophobicContact CD1-CB 4.17Å; L74-I96 HydrophobicContact CD1-CG2 4.18Å; D75-I96 PolarHBondContact N-O 2.76Å; I96-T121 CarbonylContact C-O 3.58Å; I96-T121 VanDerWaalsContact CA-O 3.26Å; I96-T121 WeakPolarHBondContact CA-O 3.36Å; I96-I123 HydrophobicContact CG2-CD1 3.79Å; I96-I123 HydrophobicContact CG2-CG1 4.33Å; I96-L132 HydrophobicContact CD1-CD2 4.36Å; I96-L132 HydrophobicContact CG2-CD2 4.03Å; I96-P133 HydrophobicContact CD1-CG 4.46Å; I96-Y136 HydrophobicContact CD1-CD2 3.91Å; I96-Y136 HydrophobicContact CD1-CG 4.21Å; I96-V139 HydrophobicContact CD1-CG1 4.49Å
97	G	98.7	Very high	97	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.7	174.4	0	0	0	0	0	110.6	T121 L122 I123	G97-T121 PolarHBondContact N-O 2.86Å; G97-L122 CarbonylContact O-C 3.58Å; G97-L122 WeakPolarHBondContact O-CA 3.28Å; G97-I123 PolarHBondContact O-N 3.15Å
98	I	98.5	Very high	96.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.3	171.9	-54.9	174.2	0	0	0	108	L74 D75 G77 C78 I123 G125 V127 V130 L132 W167	L74-I98 HydrophobicContact CD1-CD1 3.74Å; L74-I98 HydrophobicContact CD1-CG1 3.97Å; D75-I98 PolarHBondContact O-N 3.01Å; G77-I98 VanDerWaalsContact CA-O 3.25Å; G77-I98 WeakPolarHBondContact CA-O 3.14Å; G77-I98 PolarHBondContact N-O 2.86Å; C78-I98 PolarHBondContact N-O 3.12Å; I98-I123 WeakPolarHBondContact CA-O 3.24Å; I98-I123 HydrophobicContact CG1-CB 4.32Å; I98-G125 WeakPolarHBondContact CG2-O 3.39Å; I98-V127 HydrophobicContact CB-CG2 4.08Å; I98-V127 HydrophobicContact CG2-CG2 3.66Å; I98-V130 HydrophobicContact CD1-CG2 3.77Å; I98-V130 HydrophobicContact CG1-CG2 4.39Å; I98-V130 HydrophobicContact CG2-CG2 3.93Å; I98-L132 HydrophobicContact CD1-CD2 3.95Å; I98-W167 HydrophobicContact CD1-CH2 4Å; I98-W167 HydrophobicContact CD1-CZ3 3.81Å
99	D	96.6	Very high	96.9	Very high	17 Å²	17	38.6 Å²	38.6	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	145.6	168.8	-153.9	-64.6	0	0	0	109.6	G77 C78 G79 S101 I104 I123 K124 G125	G77-D99 VanDerWaalsContact C-OD2 3.28Å; C78-D99 PolarHBondContact N-OD2 3.23Å; G79-D99 VanDerWaalsContact CA-OD2 3.3Å; G79-D99 WeakPolarHBondContact CA-OD2 3.25Å; G79-D99 PolarHBondContact N-OD2 2.85Å; D99-S101 VanDerWaalsContact OD1-CB 3.32Å; D99-S101 WeakPolarHBondContact OD1-CB 3.3Å; D99-S101 PolarHBondContact OD1-N 3.14Å; D99-I104 HydrophobicContact CB-CB 4.45Å; D99-I104 HydrophobicContact CB-CD1 4.16Å; D99-I123 PolarHBondContact N-O 3.19Å; D99-K124 CarbonylContact O-C 3.6Å; D99-K124 VanDerWaalsContact O-CA 3.27Å; D99-K124 WeakPolarHBondContact O-CA 3.11Å; D99-G125 CarbonylContact C-O 3.6Å; D99-G125 PolarHBondContact O-N 3.01Å
100	C	93.6	Very high	96.9	Very high	37 Å²	37	34.7 Å²	34.7	25%	0.25	17%	0.174	C	C	.	.			trans	-95.9	-17.9	179.9	42.6	0	0	0	0	112.3	F35 G125 K126	F35-C100 HydrophobicContact CD1-CB 4.24Å; F35-C100 WeakPolarHBondContact CD1-SG 3.27Å; F35-C100 HydrophobicContact CE1-CB 4.34Å; F35-C100 WeakPolarHBondContact CE1-SG 3.27Å; C100-G125 WeakPolarHBondContact CA-O 3.4Å; C100-G125 WeakPolarHBondContact CB-O 3.41Å; C100-G125 PolarHBondContact N-O 3.13Å; C100-K126 HydrophobicContact CB-CG 4.13Å
101	S	92.9	Very high	96.9	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	-76.6	154.8	179.9	-175.9	0	0	0	0	112.4	F35 Y38 A39 D99 I103 I104	F35-S101 WeakPolarHBondContact O-CB 3.31Å; F35-S101 PolarHBondContact O-OG 2.77Å; Y38-S101 PolarHBondContact O-OG 3.49Å; A39-S101 VanDerWaalsContact CA-OG 3.28Å; A39-S101 WeakPolarHBondContact CA-OG 3.3Å; A39-S101 PolarHBondContact N-OG 3.37Å; D99-S101 VanDerWaalsContact OD1-CB 3.32Å; D99-S101 WeakPolarHBondContact OD1-CB 3.3Å; D99-S101 PolarHBondContact OD1-N 3.14Å; S101-I103 PolarHBondContact O-N 2.95Å; S101-I103 VanDerWaalsContact O-N 3.12Å; S101-I104 WeakPolarHBondContact O-CG2 3.32Å; S101-I104 PolarHBondContact O-N 3.4Å
102	N	93	Very high	96.9	Very high	78 Å²	78	40.9 Å²	40.9	42%	0.417	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.9	176.3	-68.6	-39	0	0	0	113.5	A39 I104 D105 K124	A39-N102 HydrophobicContact CB-CB 4.06Å; N102-I104 PolarHBondContact O-N 2.83Å; N102-I104 VanDerWaalsContact O-N 3.11Å; N102-D105 PolarHBondContact O-N 3.01Å; N102-D105 VanDerWaalsContact O-N 3.16Å; N102-K124 VanDerWaalsContact OD1-CE 3.25Å; N102-K124 WeakPolarHBondContact OD1-CE 3.38Å; N102-K124 PolarHBondContact OD1-NZ 2.68Å
103	I	94.3	Very high	96.9	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.062	22%	0.222	C	C	.	.	H	α-helix	trans	-56.4	-25.7	172.3	-166.4	67.3	0	0	0	112.4	H44 T80 S101 D105 R106 A107	H44-I103 WeakPolarHBondContact NE2-CG1 3.48Å; T80-I103 HydrophobicContact CG2-CD1 4.18Å; T80-I103 HydrophobicContact CG2-CG1 3.94Å; S101-I103 PolarHBondContact O-N 2.95Å; S101-I103 VanDerWaalsContact O-N 3.12Å; I103-D105 PolarHBondContact O-N 3.21Å; I103-D105 VanDerWaalsContact O-N 3.16Å; I103-R106 HydrophobicContact CD1-CB 4.31Å; I103-R106 CarbonylContact O-C 3.46Å; I103-R106 WeakPolarHBondContact O-CA 3.47Å; I103-R106 WeakPolarHBondContact O-CB 3.42Å; I103-R106 PolarHBondContact O-N 3.48Å; I103-A107 PolarHBondContact O-N 2.7Å
104	I	95.1	Very high	96.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-28.7	-179.8	-156	172.1	0	0	0	112.8	D99 S101 N102 R106 A107 M108 L122 I123 K124	D99-I104 HydrophobicContact CB-CB 4.45Å; D99-I104 HydrophobicContact CB-CD1 4.16Å; S101-I104 WeakPolarHBondContact O-CG2 3.32Å; S101-I104 PolarHBondContact O-N 3.4Å; N102-I104 PolarHBondContact O-N 2.83Å; N102-I104 VanDerWaalsContact O-N 3.11Å; I104-R106 VanDerWaalsContact C-N 3.28Å; I104-R106 PolarHBondContact O-N 3.45Å; I104-A107 WeakPolarHBondContact O-CB 3.28Å; I104-A107 PolarHBondContact O-N 3.27Å; I104-M108 HydrophobicContact CG1-CE 4.36Å; I104-M108 HydrophobicContact CG2-CE 4.25Å; I104-M108 WeakPolarHBondContact O-CG 3.47Å; I104-M108 PolarHBondContact O-N 3.18Å; I104-L122 HydrophobicContact CD1-CB 4.06Å; I104-L122 HydrophobicContact CG1-CB 4.04Å; I104-L122 HydrophobicContact CG1-CD1 4.39Å; I104-I123 WeakPolarHBondContact CD1-O 3.48Å; I104-K124 HydrophobicContact CD1-CB 4.14Å; I104-K124 HydrophobicContact CG2-CB 3.75Å; I104-K124 HydrophobicContact CG2-CD 3.58Å; I104-K124 HydrophobicContact CG2-CG 3.63Å
105	D	94.6	Very high	96.8	Very high	70 Å²	70	49.1 Å²	49.1	37%	0.374	25%	0.252	S	S	.	.	H	α-helix	trans	-65.4	-36.7	176.4	-60.9	-36.9	0	0	0	110.3	N102 I103 E109 K124	N102-D105 PolarHBondContact O-N 3.01Å; N102-D105 VanDerWaalsContact O-N 3.16Å; I103-D105 PolarHBondContact O-N 3.21Å; I103-D105 VanDerWaalsContact O-N 3.16Å; D105-E109 PolarHBondContact O-N 3.17Å; D105-K124 IonicContact OD1-NZ 3.21Å; D105-K124 IonicContact OD2-NZ 3.03Å; D105-K124 PolarHBondContact OD2-NZ 3.36Å
106	R	96.2	Very high	96.8	Very high	148 Å²	148	51 Å²	51	56%	0.558	26%	0.261	S	S	*	.	H	α-helix	trans	-74.1	-37.1	171.3	-60.2	-58.3	179.7	-169.1	-5.8	112.3	I103 I104 M108 E109 V110	I103-R106 HydrophobicContact CD1-CB 4.31Å; I103-R106 CarbonylContact O-C 3.46Å; I103-R106 WeakPolarHBondContact O-CA 3.47Å; I103-R106 WeakPolarHBondContact O-CB 3.42Å; I103-R106 PolarHBondContact O-N 3.48Å; I104-R106 VanDerWaalsContact C-N 3.28Å; I104-R106 PolarHBondContact O-N 3.45Å; R106-M108 PolarHBondContact O-N 3.12Å; R106-E109 WeakPolarHBondContact CD-OE2 3.44Å; R106-E109 IonicContact CZ-OE2 2.73Å; R106-E109 VanDerWaalsContact NH1-CD 3.32Å; R106-E109 IonicContact NH1-OE1 3.13Å; R106-E109 PolarHBondContact NH1-OE1 2.99Å; R106-E109 IonicContact NH1-OE2 2.58Å; R106-E109 PolarHBondContact NH1-OE2 3.01Å; R106-E109 WeakPolarHBondContact O-CB 3.27Å; R106-E109 PolarHBondContact O-N 3.42Å; R106-V110 WeakPolarHBondContact O-CG2 3.33Å; R106-V110 PolarHBondContact O-N 2.91Å
107	A	97.7	Very high	96.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-37.9	174.8	0	0	0	0	0	111.7	G79 A81 I103 I104 E109 V110 V111 L122	G79-A107 WeakPolarHBondContact O-CB 3.24Å; A81-A107 HydrophobicContact CB-CB 3.96Å; I103-A107 PolarHBondContact O-N 2.7Å; I104-A107 WeakPolarHBondContact O-CB 3.28Å; I104-A107 PolarHBondContact O-N 3.27Å; A107-E109 PolarHBondContact O-N 2.82Å; A107-V110 PolarHBondContact O-N 3.39Å; A107-V111 WeakPolarHBondContact O-CB 3.4Å; A107-V111 WeakPolarHBondContact O-CG2 3.23Å; A107-V111 PolarHBondContact O-N 3.43Å; A107-L122 HydrophobicContact CB-CD1 3.62Å
108	M	97.4	Very high	96.7	Very high	53 Å²	53	59.3 Å²	59.3	26%	0.261	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-41	172.8	-68.4	-178.1	-139.5	0	0	112.5	I104 R106 R112 L122	I104-M108 HydrophobicContact CG1-CE 4.36Å; I104-M108 HydrophobicContact CG2-CE 4.25Å; I104-M108 WeakPolarHBondContact O-CG 3.47Å; I104-M108 PolarHBondContact O-N 3.18Å; R106-M108 PolarHBondContact O-N 3.12Å; M108-R112 VanDerWaalsContact O-CG 3.3Å; M108-R112 WeakPolarHBondContact O-CG 3.31Å; M108-R112 PolarHBondContact O-N 3.39Å; M108-R112 VanDerWaalsContact O-N 3.12Å; M108-L122 HydrophobicContact CB-CD1 4.48Å; M108-L122 HydrophobicContact CG-CB 4.26Å; M108-L122 HydrophobicContact CG-CD1 3.87Å
109	E	97.9	Very high	96.7	Very high	99 Å²	99	63.3 Å²	63.3	46%	0.463	33%	0.328	S	S	.	.	H	α-helix	trans	-62.9	-44.9	174.1	-66.6	174.7	178.8	0	0	111.3	D105 R106 A107 R112 A113	D105-E109 PolarHBondContact O-N 3.17Å; R106-E109 WeakPolarHBondContact CD-OE2 3.44Å; R106-E109 IonicContact CZ-OE2 2.73Å; R106-E109 VanDerWaalsContact NH1-CD 3.32Å; R106-E109 IonicContact NH1-OE1 3.13Å; R106-E109 PolarHBondContact NH1-OE1 2.99Å; R106-E109 IonicContact NH1-OE2 2.58Å; R106-E109 PolarHBondContact NH1-OE2 3.01Å; R106-E109 WeakPolarHBondContact O-CB 3.27Å; R106-E109 PolarHBondContact O-N 3.42Å; A107-E109 PolarHBondContact O-N 2.82Å; E109-R112 PolarHBondContact O-N 2.9Å; E109-A113 WeakPolarHBondContact O-CB 3.22Å; E109-A113 PolarHBondContact O-N 2.95Å
110	V	98.1	Very high	96.8	Very high	55 Å²	55	62.9 Å²	62.9	33%	0.333	33%	0.325	S	S	.	.	H	α-helix	trans	-59.6	-48	177.7	169.2	0	0	0	0	111.3	L85 R106 A107 R112 A113 N114	L85-V110 HydrophobicContact CD1-CG1 3.9Å; R106-V110 WeakPolarHBondContact O-CG2 3.33Å; R106-V110 PolarHBondContact O-N 2.91Å; A107-V110 PolarHBondContact O-N 3.39Å; V110-R112 VanDerWaalsContact C-N 3.35Å; V110-R112 PolarHBondContact O-N 2.91Å; V110-A113 PolarHBondContact O-N 3.31Å; V110-N114 PolarHBondContact O-N 2.84Å; V110-N114 VanDerWaalsContact O-N 3.1Å; V110-N114 PolarHBondContact O-ND2 2.63Å
111	V	98.5	Very high	97	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.024	33%	0.327	C	S	.	.	H	α-helix	trans	-61.9	-41.7	179.4	165.2	0	0	0	0	111.6	A81 L85 A107 N114 N115 M116 A117 I120 L122	A81-V111 HydrophobicContact CB-CG2 4Å; L85-V111 HydrophobicContact CD2-CG2 4.38Å; A107-V111 WeakPolarHBondContact O-CB 3.4Å; A107-V111 WeakPolarHBondContact O-CG2 3.23Å; A107-V111 PolarHBondContact O-N 3.43Å; V111-N114 PolarHBondContact O-N 3.04Å; V111-N115 PolarHBondContact O-N 3.38Å; V111-M116 HydrophobicContact CG1-CB 4.49Å; V111-M116 PolarHBondContact O-N 3.09Å; V111-M116 VanDerWaalsContact O-N 3.15Å; V111-A117 HydrophobicContact CG1-CB 4Å; V111-I120 HydrophobicContact CG1-CB 3.84Å; V111-I120 HydrophobicContact CG1-CD1 4.11Å; V111-I120 HydrophobicContact CG1-CG1 4.4Å; V111-I120 HydrophobicContact CG1-CG2 4.26Å; V111-I120 HydrophobicContact CG2-CB 4.4Å; V111-I120 HydrophobicContact CG2-CD1 4Å; V111-I120 HydrophobicContact CG2-CG2 4.02Å; V111-L122 HydrophobicContact CG2-CD1 4.12Å
112	R	98.3	Very high	97.3	Very high	149 Å²	149	64.4 Å²	64.4	56%	0.562	33%	0.332	S	S	*	.	H	α-helix	trans	-64.7	-45.6	175.2	-71.4	176.1	-164.7	132.1	4.2	111.7	M108 E109 V110 N114 N115 A117	M108-R112 VanDerWaalsContact O-CG 3.3Å; M108-R112 WeakPolarHBondContact O-CG 3.31Å; M108-R112 PolarHBondContact O-N 3.39Å; M108-R112 VanDerWaalsContact O-N 3.12Å; E109-R112 PolarHBondContact O-N 2.9Å; V110-R112 VanDerWaalsContact C-N 3.35Å; V110-R112 PolarHBondContact O-N 2.91Å; R112-N114 PolarHBondContact O-N 3.3Å; R112-N115 PolarHBondContact O-N 2.91Å; R112-A117 HydrophobicContact CG-CB 3.98Å
113	A	98.4	Very high	97.5	Very high	79 Å²	79	62.1 Å²	62.1	65%	0.653	32%	0.32	S	S	*	.	H	α-helix	trans	-61.1	-26.7	179.2	0	0	0	0	0	113	E109 V110	E109-A113 WeakPolarHBondContact O-CB 3.22Å; E109-A113 PolarHBondContact O-N 2.95Å; V110-A113 PolarHBondContact O-N 3.31Å
114	N	98.4	Very high	97.6	Very high	84 Å²	84	65.8 Å²	65.8	45%	0.449	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	7.4	177	-73.4	-84.9	0	0	0	114	L85 V110 V111 R112 M116	L85-N114 HydrophobicContact CD2-CB 4.11Å; V110-N114 PolarHBondContact O-N 2.84Å; V110-N114 VanDerWaalsContact O-N 3.1Å; V110-N114 PolarHBondContact O-ND2 2.63Å; V111-N114 PolarHBondContact O-N 3.04Å; R112-N114 PolarHBondContact O-N 3.3Å; N114-M116 VanDerWaalsContact C-N 3.32Å; N114-M116 WeakPolarHBondContact O-CG 3.31Å; N114-M116 PolarHBondContact O-N 2.96Å
115	N	97.9	Very high	97.7	Very high	144 Å²	144	66.7 Å²	66.7	77%	0.77	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	41.6	-179.9	-51.7	-64.7	0	0	0	113.4	V111 R112	V111-N115 PolarHBondContact O-N 3.38Å; R112-N115 PolarHBondContact O-N 2.91Å
116	M	97.9	Very high	97.7	Very high	40 Å²	40	66.4 Å²	66.4	20%	0.197	34%	0.34	C	S	.	.			trans	-122.5	8.9	179.7	-64.8	-175	-178.6	0	0	113.6	L85 I88 V111 N114 D118 R119 I120	L85-M116 HydrophobicContact CD2-CB 4.37Å; L85-M116 HydrophobicContact CD2-CG 4.43Å; L85-M116 HydrophobicContact CD2-SD 3.56Å; L85-M116 VanDerWaalsContact CD2-SD 3.56Å; I88-M116 HydrophobicContact CB-SD 3.95Å; I88-M116 HydrophobicContact CG2-CB 4.47Å; I88-M116 HydrophobicContact CG2-CE 4.27Å; I88-M116 HydrophobicContact CG2-CG 4.06Å; I88-M116 HydrophobicContact CG2-SD 3.63Å; V111-M116 HydrophobicContact CG1-CB 4.49Å; V111-M116 PolarHBondContact O-N 3.09Å; V111-M116 VanDerWaalsContact O-N 3.15Å; N114-M116 VanDerWaalsContact C-N 3.32Å; N114-M116 WeakPolarHBondContact O-CG 3.31Å; N114-M116 PolarHBondContact O-N 2.96Å; M116-D118 PolarHBondContact O-N 2.83Å; M116-R119 PolarHBondContact O-N 2.9Å; M116-R119 VanDerWaalsContact O-N 3.08Å; M116-I120 HydrophobicContact CB-CD1 3.78Å; M116-I120 HydrophobicContact CB-CG1 4.27Å; M116-I120 WeakPolarHBondContact O-CG1 3.45Å; M116-I120 PolarHBondContact O-N 2.89Å; M116-I120 VanDerWaalsContact O-N 3.11Å; M116-I120 HydrophobicContact SD-CD1 4.44Å
117	A	97.2	Very high	97.7	Very high	52 Å²	52	59.8 Å²	59.8	43%	0.43	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.8	-175.2	0	0	0	0	0	114.5	V111 R112 R119	V111-A117 HydrophobicContact CG1-CB 4Å; R112-A117 HydrophobicContact CG-CB 3.98Å; A117-R119 VanDerWaalsContact C-N 3.3Å
118	D	97.6	Very high	97.7	Very high	121 Å²	121	63.2 Å²	63.2	65%	0.647	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-19.1	174.8	62.4	-49.5	0	0	0	113.1	M116	M116-D118 PolarHBondContact O-N 2.83Å
119	R	98.3	Very high	97.7	Very high	84 Å²	84	67.1 Å²	67.1	32%	0.317	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-1.1	-175.8	-67.9	171.4	63.8	-158.8	-2	113.6	I88 A92 H94 A95 M116 A117	I88-R119 HydrophobicContact CD1-CB 3.85Å; I88-R119 WeakPolarHBondContact CD1-O 3.44Å; I88-R119 HydrophobicContact CG1-CB 4.41Å; A92-R119 PolarHBondContact O-NH2 2.99Å; H94-R119 WeakPolarHBondContact CA-O 3.38Å; A95-R119 PolarHBondContact N-O 3.2Å; M116-R119 PolarHBondContact O-N 2.9Å; M116-R119 VanDerWaalsContact O-N 3.08Å; A117-R119 VanDerWaalsContact C-N 3.3Å
120	I	98.7	Very high	97.7	Very high	9 Å²	9	63.3 Å²	63.3	5%	0.046	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	118.3	177.6	-56.6	179	0	0	0	109	C84 L85 I88 A95 V111 M116 L122	C84-I120 HydrophobicContact CB-CD1 4.11Å; C84-I120 HydrophobicContact CB-CG2 4.02Å; L85-I120 HydrophobicContact CD2-CD1 3.84Å; L85-I120 HydrophobicContact CG-CD1 4.47Å; I88-I120 HydrophobicContact CD1-CG1 4.24Å; I88-I120 HydrophobicContact CG1-CD1 3.76Å; I88-I120 HydrophobicContact CG1-CG1 3.49Å; I88-I120 VanDerWaalsContact CG1-CG1 3.49Å; A95-I120 HydrophobicContact CB-CG1 4.31Å; A95-I120 CarbonylContact O-C 3.6Å; A95-I120 VanDerWaalsContact O-CA 3.28Å; A95-I120 WeakPolarHBondContact O-CA 3.36Å; V111-I120 HydrophobicContact CG1-CB 3.84Å; V111-I120 HydrophobicContact CG1-CD1 4.11Å; V111-I120 HydrophobicContact CG1-CG1 4.4Å; V111-I120 HydrophobicContact CG1-CG2 4.26Å; V111-I120 HydrophobicContact CG2-CB 4.4Å; V111-I120 HydrophobicContact CG2-CD1 4Å; V111-I120 HydrophobicContact CG2-CG2 4.02Å; M116-I120 HydrophobicContact CB-CD1 3.78Å; M116-I120 HydrophobicContact CB-CG1 4.27Å; M116-I120 WeakPolarHBondContact O-CG1 3.45Å; M116-I120 PolarHBondContact O-N 2.89Å; M116-I120 VanDerWaalsContact O-N 3.11Å; M116-I120 HydrophobicContact SD-CD1 4.44Å; I120-L122 HydrophobicContact CG2-CD2 3.72Å; I120-L122 HydrophobicContact CG2-CG 4.1Å
121	T	98.5	Very high	97.7	Very high	45 Å²	45	66.9 Å²	66.9	28%	0.276	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.8	170.8	-59.7	0	0	0	0	109	H94 A95 I96 G97 I123 P133	H94-T121 PolarHBondContact NE2-OG1 2.77Å; A95-T121 PolarHBondContact O-N 2.82Å; I96-T121 CarbonylContact C-O 3.58Å; I96-T121 VanDerWaalsContact CA-O 3.26Å; I96-T121 WeakPolarHBondContact CA-O 3.36Å; G97-T121 PolarHBondContact N-O 2.86Å; T121-I123 HydrophobicContact CG2-CG1 4.21Å; T121-P133 HydrophobicContact CG2-CG 4.18Å
122	L	98.6	Very high	97.7	Very high	26 Å²	26	67.4 Å²	67.4	14%	0.136	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.1	174.9	-59.6	-176.8	0	0	0	110	A81 G97 I104 A107 M108 V111 I120	A81-L122 HydrophobicContact CB-CD1 4.19Å; A81-L122 HydrophobicContact CB-CD2 3.95Å; G97-L122 CarbonylContact O-C 3.58Å; G97-L122 WeakPolarHBondContact O-CA 3.28Å; I104-L122 HydrophobicContact CD1-CB 4.06Å; I104-L122 HydrophobicContact CG1-CB 4.04Å; I104-L122 HydrophobicContact CG1-CD1 4.39Å; A107-L122 HydrophobicContact CB-CD1 3.62Å; M108-L122 HydrophobicContact CB-CD1 4.48Å; M108-L122 HydrophobicContact CG-CB 4.26Å; M108-L122 HydrophobicContact CG-CD1 3.87Å; V111-L122 HydrophobicContact CG2-CD1 4.12Å; I120-L122 HydrophobicContact CG2-CD2 3.72Å; I120-L122 HydrophobicContact CG2-CG 4.1Å
123	I	98	Very high	97.6	Very high	31 Å²	31	61.1 Å²	61.1	16%	0.159	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.7	-177	-55.9	175.7	0	0	0	108.7	I96 G97 I98 D99 I104 T121 V130 L132	I96-I123 HydrophobicContact CG2-CD1 3.79Å; I96-I123 HydrophobicContact CG2-CG1 4.33Å; G97-I123 PolarHBondContact O-N 3.15Å; I98-I123 WeakPolarHBondContact CA-O 3.24Å; I98-I123 HydrophobicContact CG1-CB 4.32Å; D99-I123 PolarHBondContact N-O 3.19Å; I104-I123 WeakPolarHBondContact CD1-O 3.48Å; T121-I123 HydrophobicContact CG2-CG1 4.21Å; I123-V130 HydrophobicContact CG2-CB 4.01Å; I123-V130 HydrophobicContact CG2-CG1 3.9Å; I123-V130 HydrophobicContact CG2-CG2 4.27Å; I123-L132 HydrophobicContact CD1-CD2 4.5Å
124	K	96.8	Very high	97.6	Very high	89 Å²	89	63.2 Å²	63.2	39%	0.387	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	115	176.7	-172.4	169.6	-168.3	173.9	0	110	D99 N102 I104 D105	D99-K124 CarbonylContact O-C 3.6Å; D99-K124 VanDerWaalsContact O-CA 3.27Å; D99-K124 WeakPolarHBondContact O-CA 3.11Å; N102-K124 VanDerWaalsContact OD1-CE 3.25Å; N102-K124 WeakPolarHBondContact OD1-CE 3.38Å; N102-K124 PolarHBondContact OD1-NZ 2.68Å; I104-K124 HydrophobicContact CD1-CB 4.14Å; I104-K124 HydrophobicContact CG2-CB 3.75Å; I104-K124 HydrophobicContact CG2-CD 3.58Å; I104-K124 HydrophobicContact CG2-CG 3.63Å; D105-K124 IonicContact OD1-NZ 3.21Å; D105-K124 IonicContact OD2-NZ 3.03Å; D105-K124 PolarHBondContact OD2-NZ 3.36Å
125	G	95.9	Very high	97.5	Very high	18 Å²	18	65 Å²	65	19%	0.186	34%	0.34	C	S	.	.	S	Bend	trans	157.1	173.8	176.8	0	0	0	0	0	112.8	I98 D99 C100	I98-G125 WeakPolarHBondContact CG2-O 3.39Å; D99-G125 CarbonylContact C-O 3.6Å; D99-G125 PolarHBondContact O-N 3.01Å; C100-G125 WeakPolarHBondContact CA-O 3.4Å; C100-G125 WeakPolarHBondContact CB-O 3.41Å; C100-G125 PolarHBondContact N-O 3.13Å
126	K	95	Very high	97.5	Very high	65 Å²	65	59.8 Å²	59.8	28%	0.283	31%	0.309	S	S	.	.			trans	-74.4	138.7	173.4	-58.8	-171.2	-153.4	129.7	0	109.5	F35 C100 E128 E129 V130	F35-K126 HydrophobicContact CE2-CD 4.28Å; F35-K126 HydrophobicContact CZ-CD 4.33Å; F35-K126 HydrophobicContact CZ-CG 4.46Å; C100-K126 HydrophobicContact CB-CG 4.13Å; K126-E128 PolarHBondContact O-N 3.35Å; K126-E128 VanDerWaalsContact O-N 3.16Å; K126-E129 HydrophobicContact CB-CB 4.22Å; K126-E129 HydrophobicContact CB-CG 4.12Å; K126-E129 WeakPolarHBondContact CD-OE1 3.49Å; K126-E129 IonicContact NZ-OE1 3.74Å; K126-E129 PolarHBondContact NZ-OE1 2.87Å; K126-E129 IonicContact NZ-OE2 3.79Å; K126-E129 PolarHBondContact O-N 2.91Å; K126-V130 WeakPolarHBondContact O-CG1 3.32Å; K126-V130 PolarHBondContact O-N 2.76Å; K126-V130 VanDerWaalsContact O-N 3.14Å
127	V	97.4	Very high	97.4	Very high	9 Å²	9	62.3 Å²	62.3	6%	0.055	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-36.7	-179.8	169.7	0	0	0	0	111.4	V76 I98 E129 T159 Y162 A163 W167	V76-V127 HydrophobicContact CG1-CG1 4.38Å; V76-V127 HydrophobicContact CG1-CG2 3.84Å; I98-V127 HydrophobicContact CB-CG2 4.08Å; I98-V127 HydrophobicContact CG2-CG2 3.66Å; V127-E129 VanDerWaalsContact C-N 3.28Å; V127-E129 PolarHBondContact O-N 2.79Å; V127-T159 HydrophobicContact CB-CG2 3.38Å; V127-T159 HydrophobicContact CG1-CG2 3.58Å; V127-T159 HydrophobicContact CG2-CG2 3.54Å; V127-Y162 HydrophobicContact CG1-CD1 4.1Å; V127-A163 HydrophobicContact CG1-CB 4.08Å; V127-W167 HydrophobicContact CG1-CH2 4.48Å; V127-W167 HydrophobicContact CG1-CZ3 3.87Å; V127-W167 VanDerWaalsContact O-CH2 3.24Å; V127-W167 WeakPolarHBondContact O-CH2 3.3Å
128	E	97.1	Very high	97.4	Very high	72 Å²	72	64.4 Å²	64.4	34%	0.336	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.7	179.5	-58	81.4	178.6	0	0	114	K126 T159 Y162	K126-E128 PolarHBondContact O-N 3.35Å; K126-E128 VanDerWaalsContact O-N 3.16Å; E128-T159 WeakPolarHBondContact OE1-CA 2.97Å; E128-T159 WeakPolarHBondContact OE1-CB 3.1Å; E128-T159 WeakPolarHBondContact OE1-CG2 3.34Å; E128-T159 PolarHBondContact OE1-OG1 3.42Å; E128-Y162 HydrophobicContact CB-CE1 4.34Å; E128-Y162 HydrophobicContact CB-CE2 4.29Å; E128-Y162 HydrophobicContact CG-CD1 4.13Å; E128-Y162 HydrophobicContact CG-CD2 4Å; E128-Y162 HydrophobicContact CG-CE1 4.36Å; E128-Y162 HydrophobicContact CG-CE2 4.2Å; E128-Y162 HydrophobicContact CG-CG 3.95Å; E128-Y162 PolarHBondContact O-OH 2.95Å
129	E	97.4	Very high	97.5	Very high	135 Å²	135	58.7 Å²	58.7	63%	0.631	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-9.9	-172	-64.3	172.9	-172.4	0	0	113.3	K126 V127	K126-E129 HydrophobicContact CB-CB 4.22Å; K126-E129 HydrophobicContact CB-CG 4.12Å; K126-E129 WeakPolarHBondContact CD-OE1 3.49Å; K126-E129 IonicContact NZ-OE1 3.74Å; K126-E129 PolarHBondContact NZ-OE1 2.87Å; K126-E129 IonicContact NZ-OE2 3.79Å; K126-E129 PolarHBondContact O-N 2.91Å; V127-E129 VanDerWaalsContact C-N 3.28Å; V127-E129 PolarHBondContact O-N 2.79Å
130	V	97.4	Very high	97.5	Very high	19 Å²	19	56.8 Å²	56.8	12%	0.115	29%	0.294	C	S	.	.			trans	-103	162.9	-179.3	-59	0	0	0	0	112.3	I98 I123 K126 K166 W167	I98-V130 HydrophobicContact CD1-CG2 3.77Å; I98-V130 HydrophobicContact CG1-CG2 4.39Å; I98-V130 HydrophobicContact CG2-CG2 3.93Å; I123-V130 HydrophobicContact CG2-CB 4.01Å; I123-V130 HydrophobicContact CG2-CG1 3.9Å; I123-V130 HydrophobicContact CG2-CG2 4.27Å; K126-V130 WeakPolarHBondContact O-CG1 3.32Å; K126-V130 PolarHBondContact O-N 2.76Å; K126-V130 VanDerWaalsContact O-N 3.14Å; V130-K166 PolarHBondContact O-NZ 3.47Å; V130-W167 HydrophobicContact CG2-CH2 4.19Å; V130-W167 WeakPolarHBondContact O-CZ2 3.17Å
131	E	97.9	Very high	97.5	Very high	130 Å²	130	56.4 Å²	56.4	61%	0.607	29%	0.292	S	S	*	.			trans	-116.6	147.6	169.6	-68.2	-57.3	149.7	0	0	110.4	K166	E131-K166 WeakPolarHBondContact OE1-CE 3.42Å; E131-K166 IonicContact OE1-NZ 3.76Å; E131-K166 PolarHBondContact OE1-NZ 2.89Å; E131-K166 IonicContact OE2-NZ 2.84Å
132	L	98.2	Very high	97.6	Very high	14 Å²	14	54.3 Å²	54.3	7%	0.073	28%	0.279	C	S	.	.			trans	-73	159	173.3	-61.7	-174.3	0	0	0	110.7	L74 I96 I98 I123 V139 W167	L74-L132 HydrophobicContact CD1-CD2 3.92Å; I96-L132 HydrophobicContact CD1-CD2 4.36Å; I96-L132 HydrophobicContact CG2-CD2 4.03Å; I98-L132 HydrophobicContact CD1-CD2 3.95Å; I123-L132 HydrophobicContact CD1-CD2 4.5Å; L132-V139 HydrophobicContact CD1-CG1 3.84Å; L132-W167 HydrophobicContact CD1-CB 3.82Å; L132-W167 HydrophobicContact CD1-CD2 3.73Å; L132-W167 HydrophobicContact CD1-CE3 4.38Å; L132-W167 HydrophobicContact CD1-CG 3.44Å; L132-W167 VanDerWaalsContact CD1-CG 3.44Å; L132-W167 HydrophobicContact CD2-CD2 4.35Å; L132-W167 HydrophobicContact CD2-CE3 4.45Å; L132-W167 HydrophobicContact CD2-CH2 4.46Å; L132-W167 HydrophobicContact CD2-CZ2 4.38Å; L132-W167 HydrophobicContact CD2-CZ3 4.49Å; L132-W167 HydrophobicContact CG-CD2 3.81Å; L132-W167 HydrophobicContact CG-CE3 4.4Å; L132-W167 HydrophobicContact CG-CG 4Å; L132-W167 HydrophobicContact CG-CZ2 4.02Å
133	P	97.6	Very high	97.6	Very high	18 Å²	18	53.1 Å²	53.1	12%	0.117	27%	0.273	C	S	.	.			trans	-53.7	135.7	172.9	-24.1	35.6	0	0	0	110.6	I96 T121 E135 Y136	I96-P133 HydrophobicContact CD1-CG 4.46Å; T121-P133 HydrophobicContact CG2-CG 4.18Å; P133-E135 HydrophobicContact CB-CG 4.1Å; P133-E135 VanDerWaalsContact CB-OE2 3.24Å; P133-E135 WeakPolarHBondContact CB-OE2 3.33Å; P133-E135 PolarHBondContact O-N 2.88Å; P133-Y136 HydrophobicContact CB-CD2 4.21Å; P133-Y136 HydrophobicContact CG-CD2 4.42Å; P133-Y136 CarbonylContact O-C 3.55Å; P133-Y136 WeakPolarHBondContact O-CA 3.24Å; P133-Y136 PolarHBondContact O-N 2.69Å
134	P	97	Very high	97.6	Very high	122 Å²	122	51.7 Å²	51.7	79%	0.792	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-26.3	-175.5	-27.3	34.6	0	0	0	114.9	Y136	P134-Y136 PolarHBondContact O-N 3.34Å
135	E	96.9	Very high	97.7	Very high	123 Å²	123	48.8 Å²	48.8	58%	0.575	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.9	174.5	62.5	-93.7	-140.7	0	0	114	P133	P133-E135 HydrophobicContact CB-CG 4.1Å; P133-E135 VanDerWaalsContact CB-OE2 3.24Å; P133-E135 WeakPolarHBondContact CB-OE2 3.33Å; P133-E135 PolarHBondContact O-N 2.88Å
136	Y	97.2	Very high	97.7	Very high	33 Å²	33	48.2 Å²	48.2	13%	0.129	25%	0.246	C	C	.	.			trans	-129.3	63.7	-178.8	-55.3	-53.9	0	0	0	111.7	V72 H94 I96 P133 P134 K138	V72-Y136 HydrophobicContact CB-CD1 4.47Å; V72-Y136 HydrophobicContact CG1-CD1 4.04Å; V72-Y136 HydrophobicContact CG1-CG 4.06Å; V72-Y136 HydrophobicContact CG2-CD1 3.62Å; V72-Y136 HydrophobicContact CG2-CE1 3.75Å; V72-Y136 HydrophobicContact CG2-CG 4.46Å; H94-Y136 HydrophobicContact CB-CE1 4.34Å; H94-Y136 HydrophobicContact CB-CE2 4Å; H94-Y136 WeakPolarHBondContact CB-OH 3.43Å; H94-Y136 AromaticContact CD2-CE2 3.6Å; H94-Y136 AromaticContact CG-CE2 3.57Å; H94-Y136 AromaticContact CG-CZ 3.68Å; H94-Y136 AromaticContact ND1-CE2 3.95Å; H94-Y136 AromaticContact ND1-CZ 3.98Å; H94-Y136 PolarHBondContact ND1-OH 3.38Å; H94-Y136 AromaticContact NE2-CE2 3.99Å; I96-Y136 HydrophobicContact CD1-CD2 3.91Å; I96-Y136 HydrophobicContact CD1-CG 4.21Å; P133-Y136 HydrophobicContact CB-CD2 4.21Å; P133-Y136 HydrophobicContact CG-CD2 4.42Å; P133-Y136 CarbonylContact O-C 3.55Å; P133-Y136 WeakPolarHBondContact O-CA 3.24Å; P133-Y136 PolarHBondContact O-N 2.69Å; P134-Y136 PolarHBondContact O-N 3.34Å; Y136-K138 PolarHBondContact O-N 3.41Å
137	P	96.6	Very high	97.9	Very high	93 Å²	93	45.6 Å²	45.6	60%	0.604	23%	0.234	S	C	*	.	S	Bend	trans	-68	-19.6	-177.5	29.5	-36.3	0	0	0	113.4
138	K	98.3	Very high	97.9	Very high	96 Å²	96	45.4 Å²	45.4	42%	0.417	23%	0.234	S	C	.	.	S	Bend	trans	-137	153.8	174.1	-70.6	-65.9	-170.2	172.7	0	109	Y136 K166 W167 A169	Y136-K138 PolarHBondContact O-N 3.41Å; K138-K166 PolarHBondContact NZ-O 3.3Å; K138-W167 CarbonylContact C-O 3.51Å; K138-W167 VanDerWaalsContact CA-O 3.26Å; K138-W167 WeakPolarHBondContact CA-O 3.49Å; K138-W167 WeakPolarHBondContact CD-O 3.48Å; K138-A169 HydrophobicContact CB-CB 4.21Å
139	V	98.8	Very high	97.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	148.9	178	-59.3	0	0	0	0	110.9	V72 L74 I96 L132 V142 W167 A169	V72-V139 HydrophobicContact CG1-CB 4.41Å; V72-V139 HydrophobicContact CG1-CG1 3.89Å; L74-V139 HydrophobicContact CB-CB 4.23Å; L74-V139 HydrophobicContact CB-CG1 4.04Å; L74-V139 HydrophobicContact CB-CG2 3.81Å; L74-V139 HydrophobicContact CD2-CG2 4.42Å; I96-V139 HydrophobicContact CD1-CG1 4.49Å; L132-V139 HydrophobicContact CD1-CG1 3.84Å; V139-V142 HydrophobicContact CG2-CG2 3.93Å; V139-W167 HydrophobicContact CG2-CB 4.33Å; V139-W167 PolarHBondContact N-O 3.21Å; V139-A169 WeakPolarHBondContact O-CB 3.39Å; V139-A169 PolarHBondContact O-N 2.98Å
140	D	98.8	Very high	97.9	Very high	45 Å²	45	38.8 Å²	38.8	24%	0.241	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-31.8	178.7	-63.3	-88.4	0	0	0	111.9	K71 V72 G172 I173	K71-D140 WeakPolarHBondContact CA-OD2 3.26Å; K71-D140 HydrophobicContact CB-CB 3.83Å; K71-D140 HydrophobicContact CD-CB 3.91Å; K71-D140 HydrophobicContact CG-CB 4.07Å; K71-D140 IonicContact NZ-OD1 2.84Å; K71-D140 PolarHBondContact NZ-OD1 2.85Å; V72-D140 PolarHBondContact N-OD2 3.29Å; V72-D140 PolarHBondContact O-N 3.26Å; D140-G172 CarbonylContact O-C 3.5Å; D140-G172 WeakPolarHBondContact O-CA 3.17Å; D140-I173 PolarHBondContact O-N 2.88Å
141	I	98.9	Very high	97.9	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.1	-175.6	-52.4	-178.3	0	0	0	109.4	V68 K71 V72 V73 L74 I173 M175	V68-I141 HydrophobicContact CB-CD1 4.36Å; V68-I141 HydrophobicContact CG1-CD1 4.42Å; V68-I141 HydrophobicContact CG2-CD1 4.11Å; K71-I141 HydrophobicContact CB-CD1 4.25Å; K71-I141 HydrophobicContact CB-CG1 4.47Å; K71-I141 HydrophobicContact CG-CD1 4.37Å; V72-I141 PolarHBondContact O-N 2.77Å; V73-I141 CarbonylContact C-O 3.52Å; V73-I141 WeakPolarHBondContact CA-O 3.26Å; V73-I141 HydrophobicContact CG1-CB 4.32Å; V73-I141 HydrophobicContact CG1-CG2 4.33Å; V73-I141 HydrophobicContact CG2-CB 4.14Å; V73-I141 HydrophobicContact CG2-CD1 4.26Å; L74-I141 PolarHBondContact N-O 3.31Å; I141-I173 CarbonylContact C-O 3.47Å; I141-I173 VanDerWaalsContact CA-O 3.24Å; I141-I173 WeakPolarHBondContact CA-O 3.44Å; I141-I173 HydrophobicContact CG1-CB 4.33Å; I141-M175 HydrophobicContact CG2-CG 4.38Å; I141-M175 HydrophobicContact CG2-SD 4.47Å
142	V	98.9	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.7	163	171.5	0	0	0	0	107.7	L74 V76 V139 V160 L168 I173 I174 M175	L74-V142 HydrophobicContact CB-CG2 4.34Å; L74-V142 HydrophobicContact CD2-CG2 4.31Å; L74-V142 CarbonylContact O-C 3.6Å; L74-V142 WeakPolarHBondContact O-CA 3.45Å; V76-V142 HydrophobicContact CG2-CG1 3.9Å; V139-V142 HydrophobicContact CG2-CG2 3.93Å; V142-V160 HydrophobicContact CG1-CG1 4.28Å; V142-L168 HydrophobicContact CB-CD1 4.37Å; V142-L168 HydrophobicContact CG2-CB 4.36Å; V142-L168 HydrophobicContact CG2-CD1 3.83Å; V142-I173 PolarHBondContact N-O 3.48Å; V142-I174 CarbonylContact O-C 3.6Å; V142-I174 VanDerWaalsContact O-CA 3.28Å; V142-I174 WeakPolarHBondContact O-CA 3.39Å; V142-M175 PolarHBondContact O-N 2.91Å
143	I	98.8	Very high	97.8	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.7	171.4	-168.5	167.4	0	0	0	108.4	Y57 L61 V73 L74 D75 V76 L83 M175	Y57-I143 HydrophobicContact CD1-CD1 4.05Å; Y57-I143 HydrophobicContact CD1-CG1 4.09Å; Y57-I143 HydrophobicContact CE1-CG1 4.16Å; L61-I143 HydrophobicContact CD1-CD1 3.56Å; L61-I143 HydrophobicContact CD2-CD1 4.08Å; L61-I143 HydrophobicContact CG-CD1 4Å; V73-I143 HydrophobicContact CG1-CB 4.28Å; V73-I143 HydrophobicContact CG1-CG2 3.59Å; L74-I143 PolarHBondContact O-N 3.47Å; D75-I143 VanDerWaalsContact CA-O 3.3Å; D75-I143 WeakPolarHBondContact CA-O 3.43Å; D75-I143 HydrophobicContact CB-CG2 3.84Å; V76-I143 PolarHBondContact N-O 2.64Å; L83-I143 HydrophobicContact CB-CD1 4.17Å; L83-I143 HydrophobicContact CD1-CD1 4.39Å; L83-I143 HydrophobicContact CD1-CG1 4.17Å; I143-M175 WeakPolarHBondContact CA-O 3.39Å; I143-M175 HydrophobicContact CB-CB 4.39Å; I143-M175 HydrophobicContact CD1-CB 4.5Å; I143-M175 HydrophobicContact CG1-CB 4.08Å; I143-M175 WeakPolarHBondContact CG1-O 3.46Å
144	S	98.7	Very high	97.5	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.014	18%	0.175	C	C	.	.			trans	-159.7	141.3	177.2	-174.3	0	0	0	0	110.6	Y57 V76 V160 M175 P176	Y57-S144 WeakPolarHBondContact CE1-O 3.36Å; Y57-S144 PolarHBondContact OH-O 2.9Å; V76-S144 PolarHBondContact O-OG 3.24Å; S144-V160 WeakPolarHBondContact OG-CG2 3.3Å; S144-M175 PolarHBondContact N-O 2.76Å; S144-M175 VanDerWaalsContact N-O 3.09Å; S144-P176 VanDerWaalsContact O-CD 3.3Å; S144-P176 WeakPolarHBondContact O-CD 3.17Å
145	E	98.2	Very high	97.2	Very high	28 Å²	28	29 Å²	29	13%	0.131	14%	0.142	C	C	.	.			trans	-100.6	99.8	161.5	-157.2	-71.4	84.8	0	0	106	R53 Y57 L83 M147 M156 W296	R53-E145 HydrophobicContact CG-CG 4.32Å; R53-E145 IonicContact CZ-OE2 3.02Å; R53-E145 IonicContact NH1-OE2 2.72Å; R53-E145 PolarHBondContact NH1-OE2 3.44Å; Y57-E145 HydrophobicContact CE2-CB 4.37Å; Y57-E145 HydrophobicContact CE2-CG 3.91Å; Y57-E145 WeakPolarHBondContact OH-CA 3.41Å; L83-E145 HydrophobicContact CD1-CB 4.22Å; E145-M147 HydrophobicContact CG-CE 4.18Å; E145-M147 WeakPolarHBondContact OE1-CE 3.25Å; E145-M147 PolarHBondContact OE1-N 3.48Å; E145-M147 VanDerWaalsContact OE1-N 3.15Å; E145-M156 WeakPolarHBondContact O-CE 3.05Å; E145-W296 WeakPolarHBondContact OE1-CZ2 3.2Å
146	W	97.6	Very high	97	Very high	6 Å²	6	24.7 Å²	24.7	2%	0.023	12%	0.122	C	C	.	.			trans	-117.8	-3.3	-170.4	57.2	-97.1	0	0	0	113.1	G148 L151 M156 L157 V160 A179 M240	W146-G148 PolarHBondContact O-N 2.88Å; W146-L151 HydrophobicContact CH2-CD1 3.66Å; W146-L151 HydrophobicContact CH2-CG 4.26Å; W146-L151 HydrophobicContact CZ3-CD1 3.65Å; W146-L151 HydrophobicContact CZ3-CG 4.12Å; W146-M156 HydrophobicContact CB-CB 4.37Å; W146-M156 HydrophobicContact CB-CE 4.46Å; W146-M156 HydrophobicContact CB-CG 4.01Å; W146-M156 HydrophobicContact CB-SD 4.42Å; W146-L157 HydrophobicContact CD2-CB 4.39Å; W146-L157 HydrophobicContact CD2-CD1 3.97Å; W146-L157 HydrophobicContact CE3-CB 3.74Å; W146-L157 HydrophobicContact CE3-CD1 3.95Å; W146-L157 HydrophobicContact CE3-CD2 4.36Å; W146-L157 HydrophobicContact CE3-CG 4.22Å; W146-L157 HydrophobicContact CH2-CD1 4.08Å; W146-L157 HydrophobicContact CH2-CD2 4.03Å; W146-L157 HydrophobicContact CZ2-CD1 4.08Å; W146-L157 HydrophobicContact CZ3-CB 4.01Å; W146-L157 HydrophobicContact CZ3-CD1 4.03Å; W146-L157 HydrophobicContact CZ3-CD2 3.8Å; W146-L157 HydrophobicContact CZ3-CG 4.16Å; W146-V160 HydrophobicContact CB-CG2 3.63Å; W146-V160 HydrophobicContact CG-CG2 3.9Å; W146-A179 HydrophobicContact CH2-CB 3.79Å; W146-A179 HydrophobicContact CZ2-CB 4.01Å; W146-M240 HydrophobicContact CH2-SD 4.43Å; W146-M240 HydrophobicContact CZ2-CE 4.49Å; W146-M240 HydrophobicContact CZ2-SD 3.65Å
147	M	98.3	Very high	97	Very high	9 Å²	9	23.3 Å²	23.3	4%	0.044	12%	0.117	C	C	.	.			trans	-79.4	125.8	-166.8	-62.3	77.2	70.5	0	0	109.4	Y57 E145 L151 P176 F271 I273 F284 W296	Y57-M147 HydrophobicContact CE2-CE 4.14Å; Y57-M147 VanDerWaalsContact OH-CE 3.24Å; Y57-M147 WeakPolarHBondContact OH-CE 3.27Å; E145-M147 HydrophobicContact CG-CE 4.18Å; E145-M147 WeakPolarHBondContact OE1-CE 3.25Å; E145-M147 PolarHBondContact OE1-N 3.48Å; E145-M147 VanDerWaalsContact OE1-N 3.15Å; M147-L151 HydrophobicContact CB-CD1 4.23Å; M147-L151 HydrophobicContact CG-CD1 3.82Å; M147-P176 HydrophobicContact SD-CG 4.32Å; M147-F271 HydrophobicContact CB-CE2 4Å; M147-F271 HydrophobicContact CB-CZ 3.92Å; M147-F271 HydrophobicContact CG-CE2 4.08Å; M147-I273 HydrophobicContact CE-CD1 4.36Å; M147-I273 HydrophobicContact CE-CG1 4.08Å; M147-I273 HydrophobicContact CG-CD1 3.62Å; M147-I273 HydrophobicContact CG-CG1 4.2Å; M147-I273 HydrophobicContact SD-CD1 4.09Å; M147-I273 HydrophobicContact SD-CG1 4.46Å; M147-F284 HydrophobicContact CE-CZ 3.86Å; M147-W296 HydrophobicContact CB-CZ2 3.85Å; M147-W296 HydrophobicContact CE-CH2 3.7Å; M147-W296 HydrophobicContact CE-CZ2 3.81Å; M147-W296 PolarHBondContact O-NE1 3.3Å
148	G	97.1	Very high	97	Very high	5 Å²	5	20.8 Å²	20.8	5%	0.052	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-93.1	-179.4	170.6	0	0	0	0	0	112.4	W146 L151	W146-G148 PolarHBondContact O-N 2.88Å; G148-L151 PolarHBondContact N-O 3.26Å; G148-L151 VanDerWaalsContact N-O 3.1Å; G148-L151 CarbonylContact O-C 3.43Å; G148-L151 VanDerWaalsContact O-CA 3.28Å; G148-L151 WeakPolarHBondContact O-CA 3.44Å; G148-L151 PolarHBondContact O-N 3.14Å
149	Y	97.1	Very high	97	Very high	66 Å²	66	17.6 Å²	17.6	26%	0.259	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	146.9	163.2	-57	-56.7	0	0	0	110.8	L151 Y153 V220	Y149-L151 PolarHBondContact O-N 2.91Å; Y149-Y153 AromaticContact CD2-CD1 3.76Å; Y149-Y153 HydrophobicContact CD2-CD1 3.76Å; Y149-Y153 HydrophobicContact CD2-CE1 4.14Å; Y149-Y153 HydrophobicContact CG-CD1 4.5Å; Y149-Y153 WeakPolarHBondContact O-CB 3.44Å; Y149-Y153 PolarHBondContact O-N 3.3Å; Y149-Y153 VanDerWaalsContact O-N 3.08Å; Y149-V220 HydrophobicContact CD1-CB 4.41Å; Y149-V220 HydrophobicContact CD1-CG1 3.49Å; Y149-V220 VanDerWaalsContact CD1-CG1 3.49Å; Y149-V220 HydrophobicContact CD1-CG2 4.1Å; Y149-V220 HydrophobicContact CD2-CG2 4.25Å; Y149-V220 HydrophobicContact CE1-CG1 3.59Å; Y149-V220 HydrophobicContact CG-CG1 4.12Å; Y149-V220 HydrophobicContact CG-CG2 3.86Å
150	C	97.8	Very high	97	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.02	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	31.1	-171.6	-164.6	0	0	0	0	113.2	F152 T269 T299 M358	C150-F152 PolarHBondContact O-N 3.22Å; C150-T269 PolarHBondContact SG-OG1 3.32Å; C150-T299 HydrophobicContact CB-CG2 4.27Å; C150-T299 PolarHBondContact N-OG1 2.67Å; C150-M358 HydrophobicContact CB-CE 4.04Å; C150-M358 HydrophobicContact CB-SD 4.37Å
151	L	98.3	Very high	97	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	66.2	-43.9	-174.8	-174.3	59.9	0	0	0	115.8	W146 M147 G148 Y149 A179 L181 F271 I273	W146-L151 HydrophobicContact CH2-CD1 3.66Å; W146-L151 HydrophobicContact CH2-CG 4.26Å; W146-L151 HydrophobicContact CZ3-CD1 3.65Å; W146-L151 HydrophobicContact CZ3-CG 4.12Å; M147-L151 HydrophobicContact CB-CD1 4.23Å; M147-L151 HydrophobicContact CG-CD1 3.82Å; G148-L151 PolarHBondContact N-O 3.26Å; G148-L151 VanDerWaalsContact N-O 3.1Å; G148-L151 CarbonylContact O-C 3.43Å; G148-L151 VanDerWaalsContact O-CA 3.28Å; G148-L151 WeakPolarHBondContact O-CA 3.44Å; G148-L151 PolarHBondContact O-N 3.14Å; Y149-L151 PolarHBondContact O-N 2.91Å; L151-A179 HydrophobicContact CD1-CB 4.05Å; L151-A179 HydrophobicContact CD2-CB 4Å; L151-L181 HydrophobicContact CB-CD1 4.06Å; L151-L181 HydrophobicContact CD2-CB 4.15Å; L151-F271 HydrophobicContact CB-CB 4.05Å; L151-F271 HydrophobicContact CB-CD1 3.89Å; L151-F271 HydrophobicContact CB-CG 4.01Å; L151-F271 HydrophobicContact CD1-CB 4.2Å; L151-F271 HydrophobicContact CD1-CD1 4.36Å; L151-F271 HydrophobicContact CD1-CD2 3.87Å; L151-F271 HydrophobicContact CD1-CE2 4.29Å; L151-F271 HydrophobicContact CD1-CG 3.89Å; L151-F271 HydrophobicContact CD2-CB 4.22Å; L151-F271 HydrophobicContact CG-CB 4.4Å; L151-F271 HydrophobicContact CG-CG 4.44Å; L151-I273 HydrophobicContact CD1-CD1 4.16Å
152	F	97.9	Very high	97	Very high	13 Å²	13	19.4 Å²	19.4	6%	0.057	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-5	-166.8	-58.6	-66	0	0	0	115	C150 S155 L157 L181 K236 V238 L248 F250 L335	C150-F152 PolarHBondContact O-N 3.22Å; F152-S155 PolarHBondContact O-N 3.1Å; F152-L157 HydrophobicContact CD1-CD2 4.07Å; F152-L157 HydrophobicContact CE1-CD2 3.84Å; F152-L181 HydrophobicContact CD2-CD2 4.36Å; F152-L181 HydrophobicContact CE2-CD2 3.99Å; F152-K236 HydrophobicContact CE2-CB 4.34Å; F152-K236 HydrophobicContact CE2-CG 4.03Å; F152-K236 HydrophobicContact CZ-CB 4.4Å; F152-K236 HydrophobicContact CZ-CG 3.71Å; F152-V238 HydrophobicContact CE1-CG2 3.87Å; F152-V238 HydrophobicContact CZ-CG2 3.79Å; F152-L248 HydrophobicContact CE1-CD2 4.25Å; F152-F250 HydrophobicContact CD2-CE1 4.19Å; F152-F250 AromaticContact CE2-CE1 3.72Å; F152-F250 HydrophobicContact CE2-CE1 3.72Å; F152-F250 HydrophobicContact CE2-CZ 4.11Å; F152-F250 HydrophobicContact CZ-CE1 4.38Å; F152-L335 HydrophobicContact CB-CD1 4.16Å; F152-L335 HydrophobicContact CB-CD2 4.44Å
153	Y	95.9	Very high	97	Very high	38 Å²	38	19.4 Å²	19.4	15%	0.149	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-59	151.3	178.9	-177.3	-116.1	0	0	0	110.6	Y149 S155 M358 R359	Y149-Y153 AromaticContact CD2-CD1 3.76Å; Y149-Y153 HydrophobicContact CD2-CD1 3.76Å; Y149-Y153 HydrophobicContact CD2-CE1 4.14Å; Y149-Y153 HydrophobicContact CG-CD1 4.5Å; Y149-Y153 WeakPolarHBondContact O-CB 3.44Å; Y149-Y153 PolarHBondContact O-N 3.3Å; Y149-Y153 VanDerWaalsContact O-N 3.08Å; Y153-S155 PolarHBondContact O-N 2.85Å; Y153-S155 VanDerWaalsContact O-N 3.11Å; Y153-M358 HydrophobicContact CD1-SD 4.38Å; Y153-M358 HydrophobicContact CD2-CB 4.24Å; Y153-M358 HydrophobicContact CD2-CG 3.55Å; Y153-M358 HydrophobicContact CD2-SD 3.69Å; Y153-M358 HydrophobicContact CE2-CB 4.49Å; Y153-M358 HydrophobicContact CE2-CG 3.78Å; Y153-M358 HydrophobicContact CE2-SD 4.45Å; Y153-M358 HydrophobicContact CG-CG 4.09Å; Y153-M358 HydrophobicContact CG-SD 3.65Å; Y153-R359 PolarHBondContact OH-O 2.69Å; Y153-R359 PolarHBondContact OH-OXT 2.91Å
154	E	90.5	Very high	96.9	Very high	30 Å²	30	20.5 Å²	20.5	14%	0.14	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	70.8	-12.6	-174.1	-43.4	-173.4	162.2	0	0	116	Y34 Y38 M156 R333	Y34-E154 HydrophobicContact CE2-CB 3.66Å; Y34-E154 HydrophobicContact CE2-CG 3.75Å; Y34-E154 WeakPolarHBondContact CE2-OE2 3.24Å; Y34-E154 VanDerWaalsContact CZ-OE2 3.24Å; Y34-E154 PolarHBondContact OH-OE2 2.85Å; Y38-E154 PolarHBondContact OH-OE1 3.34Å; Y38-E154 PolarHBondContact OH-OE2 2.94Å; E154-M156 VanDerWaalsContact C-N 3.26Å; E154-M156 PolarHBondContact O-N 2.96Å; E154-R333 WeakPolarHBondContact CA-O 3.34Å; E154-R333 PolarHBondContact N-O 2.83Å; E154-R333 VanDerWaalsContact N-O 3.09Å; E154-R333 PolarHBondContact O-NH1 2.7Å
155	S	90	Very high	96.9	Very high	14 Å²	14	25.3 Å²	25.3	10%	0.098	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	58.6	27.6	175.3	-64.5	0	0	0	0	115.2	F152 Y153 L157 N158 N332	F152-S155 PolarHBondContact O-N 3.1Å; Y153-S155 PolarHBondContact O-N 2.85Å; Y153-S155 VanDerWaalsContact O-N 3.11Å; S155-L157 VanDerWaalsContact C-N 3.25Å; S155-L157 PolarHBondContact O-N 3.11Å; S155-N158 WeakPolarHBondContact O-CB 3.47Å; S155-N158 PolarHBondContact O-N 3.13Å; S155-N332 WeakPolarHBondContact CB-O 3.37Å; S155-N332 PolarHBondContact OG-O 3.18Å
156	M	93.9	Very high	96.9	Very high	34 Å²	34	26.5 Å²	26.5	17%	0.167	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.1	179.6	-174.8	168.5	166.8	0	0	113.3	V76 E145 W146 E154 N158 T159 V160	V76-M156 VanDerWaalsContact O-CE 3.3Å; V76-M156 WeakPolarHBondContact O-CE 3.02Å; E145-M156 WeakPolarHBondContact O-CE 3.05Å; W146-M156 HydrophobicContact CB-CB 4.37Å; W146-M156 HydrophobicContact CB-CE 4.46Å; W146-M156 HydrophobicContact CB-CG 4.01Å; W146-M156 HydrophobicContact CB-SD 4.42Å; E154-M156 VanDerWaalsContact C-N 3.26Å; E154-M156 PolarHBondContact O-N 2.96Å; M156-N158 PolarHBondContact O-N 3.34Å; M156-N158 VanDerWaalsContact O-N 3.16Å; M156-T159 WeakPolarHBondContact O-CB 3.49Å; M156-T159 PolarHBondContact O-N 3.3Å; M156-V160 PolarHBondContact O-N 2.89Å
157	L	97.2	Very high	97	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-55.2	-32.9	173.9	-179	53.9	0	0	0	112.6	W146 F152 S155 T159 V160 I161 V238 M240 L248	W146-L157 HydrophobicContact CD2-CB 4.39Å; W146-L157 HydrophobicContact CD2-CD1 3.97Å; W146-L157 HydrophobicContact CE3-CB 3.74Å; W146-L157 HydrophobicContact CE3-CD1 3.95Å; W146-L157 HydrophobicContact CE3-CD2 4.36Å; W146-L157 HydrophobicContact CE3-CG 4.22Å; W146-L157 HydrophobicContact CH2-CD1 4.08Å; W146-L157 HydrophobicContact CH2-CD2 4.03Å; W146-L157 HydrophobicContact CZ2-CD1 4.08Å; W146-L157 HydrophobicContact CZ3-CB 4.01Å; W146-L157 HydrophobicContact CZ3-CD1 4.03Å; W146-L157 HydrophobicContact CZ3-CD2 3.8Å; W146-L157 HydrophobicContact CZ3-CG 4.16Å; F152-L157 HydrophobicContact CD1-CD2 4.07Å; F152-L157 HydrophobicContact CE1-CD2 3.84Å; S155-L157 VanDerWaalsContact C-N 3.25Å; S155-L157 PolarHBondContact O-N 3.11Å; L157-T159 VanDerWaalsContact C-N 3.25Å; L157-T159 PolarHBondContact O-N 2.72Å; L157-V160 PolarHBondContact O-N 3.28Å; L157-I161 HydrophobicContact CD1-CG1 4.4Å; L157-I161 HydrophobicContact CG-CD1 4.15Å; L157-I161 WeakPolarHBondContact O-CG1 3.12Å; L157-I161 PolarHBondContact O-N 3.24Å; L157-V238 HydrophobicContact CD2-CG1 4.23Å; L157-M240 HydrophobicContact CD1-CE 3.4Å; L157-M240 VanDerWaalsContact CD1-CE 3.4Å; L157-M240 HydrophobicContact CD1-SD 3.46Å; L157-M240 WeakPolarHBondContact CD1-SD 3.45Å; L157-L248 HydrophobicContact CB-CD1 4.34Å; L157-L248 HydrophobicContact CD2-CD1 4Å; L157-L248 HydrophobicContact CD2-CD2 3.48Å; L157-L248 VanDerWaalsContact CD2-CD2 3.48Å; L157-L248 HydrophobicContact CD2-CG 4.4Å; L157-L248 HydrophobicContact CG-CD1 4.05Å; L157-L248 HydrophobicContact CG-CD2 4.32Å
158	N	96.9	Very high	97	Very high	41 Å²	41	27.2 Å²	27.2	22%	0.219	13%	0.129	C	C	.	.	H	α-helix	trans	-58.9	-40.4	176	-65.2	21.9	0	0	0	111.6	S155 M156 I161 Y162 V245 L248	S155-N158 WeakPolarHBondContact O-CB 3.47Å; S155-N158 PolarHBondContact O-N 3.13Å; M156-N158 PolarHBondContact O-N 3.34Å; M156-N158 VanDerWaalsContact O-N 3.16Å; N158-I161 PolarHBondContact O-N 2.88Å; N158-Y162 PolarHBondContact O-N 3.29Å; N158-V245 HydrophobicContact CB-CG2 4.36Å; N158-L248 WeakPolarHBondContact OD1-CD1 3.36Å
159	T	97.4	Very high	97.1	Very high	29 Å²	29	28.2 Å²	28.2	18%	0.178	14%	0.137	C	C	.	.	H	α-helix	trans	-70.4	-36.1	-179.8	-62.8	0	0	0	0	111.5	V76 V127 E128 M156 L157 Y162 A163	V76-T159 HydrophobicContact CG1-CG2 3.85Å; V127-T159 HydrophobicContact CB-CG2 3.38Å; V127-T159 HydrophobicContact CG1-CG2 3.58Å; V127-T159 HydrophobicContact CG2-CG2 3.54Å; E128-T159 WeakPolarHBondContact OE1-CA 2.97Å; E128-T159 WeakPolarHBondContact OE1-CB 3.1Å; E128-T159 WeakPolarHBondContact OE1-CG2 3.34Å; E128-T159 PolarHBondContact OE1-OG1 3.42Å; M156-T159 WeakPolarHBondContact O-CB 3.49Å; M156-T159 PolarHBondContact O-N 3.3Å; L157-T159 VanDerWaalsContact C-N 3.25Å; L157-T159 PolarHBondContact O-N 2.72Å; T159-Y162 PolarHBondContact O-N 2.73Å; T159-A163 PolarHBondContact O-N 3.06Å
160	V	98.5	Very high	97.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-67.6	-40.8	173.5	-174.7	0	0	0	0	111.3	V76 V142 S144 W146 M156 L157 Y162 A163 R164 M240	V76-V160 HydrophobicContact CG1-CG2 4.24Å; V142-V160 HydrophobicContact CG1-CG1 4.28Å; S144-V160 WeakPolarHBondContact OG-CG2 3.3Å; W146-V160 HydrophobicContact CB-CG2 3.63Å; W146-V160 HydrophobicContact CG-CG2 3.9Å; M156-V160 PolarHBondContact O-N 2.89Å; L157-V160 PolarHBondContact O-N 3.28Å; V160-Y162 VanDerWaalsContact C-N 3.33Å; V160-Y162 PolarHBondContact O-N 2.9Å; V160-A163 PolarHBondContact O-N 2.88Å; V160-R164 WeakPolarHBondContact O-CB 3.35Å; V160-R164 PolarHBondContact O-N 3.5Å; V160-M240 HydrophobicContact CB-CE 4.11Å; V160-M240 HydrophobicContact CG1-CE 3.47Å; V160-M240 VanDerWaalsContact CG1-CE 3.47Å
161	I	98.6	Very high	97.1	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-45.6	173.5	-69.5	166.9	0	0	0	110.4	L157 N158 A163 R164 D165 I243 V245 L248	L157-I161 HydrophobicContact CD1-CG1 4.4Å; L157-I161 HydrophobicContact CG-CD1 4.15Å; L157-I161 WeakPolarHBondContact O-CG1 3.12Å; L157-I161 PolarHBondContact O-N 3.24Å; N158-I161 PolarHBondContact O-N 2.88Å; I161-A163 PolarHBondContact O-N 3.41Å; I161-R164 WeakPolarHBondContact O-CB 2.89Å; I161-R164 PolarHBondContact O-N 2.77Å; I161-D165 VanDerWaalsContact O-CG 3.31Å; I161-D165 PolarHBondContact O-N 3.16Å; I161-I243 HydrophobicContact CD1-CG2 4Å; I161-I243 HydrophobicContact CG1-CG2 4.11Å; I161-V245 HydrophobicContact CB-CG2 4.46Å; I161-V245 HydrophobicContact CD1-CG2 4.08Å; I161-V245 HydrophobicContact CG2-CG2 4.12Å; I161-L248 HydrophobicContact CD1-CD1 4.02Å
162	Y	98.6	Very high	97.1	Very high	77 Å²	77	35.8 Å²	35.8	30%	0.302	21%	0.212	S	C	.	.	H	α-helix	trans	-59.2	-47.8	175.6	179.6	-82.7	0	0	0	112	V127 E128 N158 T159 V160 R164 D165 K166	V127-Y162 HydrophobicContact CG1-CD1 4.1Å; E128-Y162 HydrophobicContact CB-CE1 4.34Å; E128-Y162 HydrophobicContact CB-CE2 4.29Å; E128-Y162 HydrophobicContact CG-CD1 4.13Å; E128-Y162 HydrophobicContact CG-CD2 4Å; E128-Y162 HydrophobicContact CG-CE1 4.36Å; E128-Y162 HydrophobicContact CG-CE2 4.2Å; E128-Y162 HydrophobicContact CG-CG 3.95Å; E128-Y162 PolarHBondContact O-OH 2.95Å; N158-Y162 PolarHBondContact O-N 3.29Å; T159-Y162 PolarHBondContact O-N 2.73Å; V160-Y162 VanDerWaalsContact C-N 3.33Å; V160-Y162 PolarHBondContact O-N 2.9Å; Y162-R164 VanDerWaalsContact C-N 3.34Å; Y162-R164 PolarHBondContact O-N 3.02Å; Y162-D165 PolarHBondContact O-N 2.96Å; Y162-K166 HydrophobicContact CD1-CB 4.47Å; Y162-K166 HydrophobicContact CD1-CD 4.42Å; Y162-K166 HydrophobicContact CE1-CB 4.2Å; Y162-K166 HydrophobicContact CE1-CD 3.42Å; Y162-K166 VanDerWaalsContact CE1-CD 3.42Å; Y162-K166 HydrophobicContact CE1-CG 4.44Å; Y162-K166 VanDerWaalsContact O-CB 3.29Å; Y162-K166 WeakPolarHBondContact O-CB 3.48Å; Y162-K166 PolarHBondContact O-N 3.29Å; Y162-K166 WeakPolarHBondContact OH-CD 3.29Å; Y162-K166 PolarHBondContact OH-NZ 3.26Å
163	A	98.7	Very high	97.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-40	179.8	0	0	0	0	0	112.3	L74 V76 V127 T159 V160 I161 W167	L74-A163 HydrophobicContact CD2-CB 4.11Å; V76-A163 HydrophobicContact CG2-CB 3.68Å; V127-A163 HydrophobicContact CG1-CB 4.08Å; T159-A163 PolarHBondContact O-N 3.06Å; V160-A163 PolarHBondContact O-N 2.88Å; I161-A163 PolarHBondContact O-N 3.41Å; A163-W167 HydrophobicContact CB-CE3 4.14Å; A163-W167 HydrophobicContact CB-CZ3 4.43Å; A163-W167 PolarHBondContact O-N 3.18Å
164	R	98.6	Very high	97.3	Very high	24 Å²	24	34.9 Å²	34.9	9%	0.091	21%	0.21	C	C	.	.	H	α-helix	trans	-56.5	-56.6	172.8	176.4	-164	74.4	-164.5	0.6	110.5	V160 I161 Y162 K166 L168 I174 M240 I243	V160-R164 WeakPolarHBondContact O-CB 3.35Å; V160-R164 PolarHBondContact O-N 3.5Å; I161-R164 WeakPolarHBondContact O-CB 2.89Å; I161-R164 PolarHBondContact O-N 2.77Å; Y162-R164 VanDerWaalsContact C-N 3.34Å; Y162-R164 PolarHBondContact O-N 3.02Å; R164-K166 VanDerWaalsContact C-N 3.34Å; R164-K166 PolarHBondContact O-N 3.42Å; R164-L168 HydrophobicContact CG-CB 4.35Å; R164-L168 HydrophobicContact CG-CD2 3.96Å; R164-L168 WeakPolarHBondContact O-CB 3.35Å; R164-L168 PolarHBondContact O-N 3.38Å; R164-I174 HydrophobicContact CB-CD1 4.36Å; R164-I174 HydrophobicContact CG-CD1 3.8Å; R164-M240 WeakPolarHBondContact CD-O 3.32Å; R164-M240 PolarHBondContact NH1-O 2.86Å; R164-I243 PolarHBondContact NH1-O 2.56Å; R164-I243 PolarHBondContact NH2-O 3.47Å; R164-I243 VanDerWaalsContact NH2-O 3.07Å
165	D	98.5	Very high	97.7	Very high	103 Å²	103	33.5 Å²	33.5	55%	0.551	20%	0.203	S	C	*	.	H	α-helix	trans	-66	-38.9	-173.3	-65.9	-14.2	0	0	0	111.6	I161 Y162	I161-D165 VanDerWaalsContact O-CG 3.31Å; I161-D165 PolarHBondContact O-N 3.16Å; Y162-D165 PolarHBondContact O-N 2.96Å
166	K	98.4	Very high	98.1	Very high	54 Å²	54	32.9 Å²	32.9	24%	0.235	20%	0.199	C	C	.	.	H	α-helix	trans	-75.3	-47	-179.3	-168.3	175	177.6	-178	0	112.5	V130 E131 K138 Y162 R164	V130-K166 PolarHBondContact O-NZ 3.47Å; E131-K166 WeakPolarHBondContact OE1-CE 3.42Å; E131-K166 IonicContact OE1-NZ 3.76Å; E131-K166 PolarHBondContact OE1-NZ 2.89Å; E131-K166 IonicContact OE2-NZ 2.84Å; K138-K166 PolarHBondContact NZ-O 3.3Å; Y162-K166 HydrophobicContact CD1-CB 4.47Å; Y162-K166 HydrophobicContact CD1-CD 4.42Å; Y162-K166 HydrophobicContact CE1-CB 4.2Å; Y162-K166 HydrophobicContact CE1-CD 3.42Å; Y162-K166 VanDerWaalsContact CE1-CD 3.42Å; Y162-K166 HydrophobicContact CE1-CG 4.44Å; Y162-K166 VanDerWaalsContact O-CB 3.29Å; Y162-K166 WeakPolarHBondContact O-CB 3.48Å; Y162-K166 PolarHBondContact O-N 3.29Å; Y162-K166 WeakPolarHBondContact OH-CD 3.29Å; Y162-K166 PolarHBondContact OH-NZ 3.26Å; R164-K166 VanDerWaalsContact C-N 3.34Å; R164-K166 PolarHBondContact O-N 3.42Å
167	W	98.8	Very high	98.3	Very high	8 Å²	8	31.4 Å²	31.4	3%	0.03	19%	0.192	C	C	.	.	H	α-helix	trans	-122.2	-17.4	-163.9	-62.8	-54.1	0	0	0	116.5	L74 I98 V127 V130 L132 K138 V139 A163 A169	L74-W167 HydrophobicContact CD2-CB 4.43Å; L74-W167 HydrophobicContact CD2-CD2 4.45Å; L74-W167 HydrophobicContact CD2-CE3 3.61Å; L74-W167 HydrophobicContact CD2-CZ3 4.21Å; I98-W167 HydrophobicContact CD1-CH2 4Å; I98-W167 HydrophobicContact CD1-CZ3 3.81Å; V127-W167 HydrophobicContact CG1-CH2 4.48Å; V127-W167 HydrophobicContact CG1-CZ3 3.87Å; V127-W167 VanDerWaalsContact O-CH2 3.24Å; V127-W167 WeakPolarHBondContact O-CH2 3.3Å; V130-W167 HydrophobicContact CG2-CH2 4.19Å; V130-W167 WeakPolarHBondContact O-CZ2 3.17Å; L132-W167 HydrophobicContact CD1-CB 3.82Å; L132-W167 HydrophobicContact CD1-CD2 3.73Å; L132-W167 HydrophobicContact CD1-CE3 4.38Å; L132-W167 HydrophobicContact CD1-CG 3.44Å; L132-W167 VanDerWaalsContact CD1-CG 3.44Å; L132-W167 HydrophobicContact CD2-CD2 4.35Å; L132-W167 HydrophobicContact CD2-CE3 4.45Å; L132-W167 HydrophobicContact CD2-CH2 4.46Å; L132-W167 HydrophobicContact CD2-CZ2 4.38Å; L132-W167 HydrophobicContact CD2-CZ3 4.49Å; L132-W167 HydrophobicContact CG-CD2 3.81Å; L132-W167 HydrophobicContact CG-CE3 4.4Å; L132-W167 HydrophobicContact CG-CG 4Å; L132-W167 HydrophobicContact CG-CZ2 4.02Å; K138-W167 CarbonylContact C-O 3.51Å; K138-W167 VanDerWaalsContact CA-O 3.26Å; K138-W167 WeakPolarHBondContact CA-O 3.49Å; K138-W167 WeakPolarHBondContact CD-O 3.48Å; V139-W167 HydrophobicContact CG2-CB 4.33Å; V139-W167 PolarHBondContact N-O 3.21Å; A163-W167 HydrophobicContact CB-CE3 4.14Å; A163-W167 HydrophobicContact CB-CZ3 4.43Å; A163-W167 PolarHBondContact O-N 3.18Å; W167-A169 PolarHBondContact O-N 3.32Å
168	L	98.8	Very high	98.4	Very high	21 Å²	21	35.4 Å²	35.4	11%	0.11	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	131.8	177.6	-167.3	69.1	0	0	0	110	V142 R164 I174	V142-L168 HydrophobicContact CB-CD1 4.37Å; V142-L168 HydrophobicContact CG2-CB 4.36Å; V142-L168 HydrophobicContact CG2-CD1 3.83Å; R164-L168 HydrophobicContact CG-CB 4.35Å; R164-L168 HydrophobicContact CG-CD2 3.96Å; R164-L168 WeakPolarHBondContact O-CB 3.35Å; R164-L168 PolarHBondContact O-N 3.38Å; L168-I174 HydrophobicContact CD2-CD1 4Å; L168-I174 HydrophobicContact CD2-CG1 3.72Å
169	A	98.6	Very high	98.5	Very high	26 Å²	26	33.5 Å²	33.5	22%	0.215	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	154.1	174	0	0	0	0	0	110.8	K138 V139 W167 G171 G172	K138-A169 HydrophobicContact CB-CB 4.21Å; V139-A169 WeakPolarHBondContact O-CB 3.39Å; V139-A169 PolarHBondContact O-N 2.98Å; W167-A169 PolarHBondContact O-N 3.32Å; A169-G171 PolarHBondContact O-N 3.02Å; A169-G172 PolarHBondContact O-N 3.45Å
170	P	98	Very high	98.5	Very high	134 Å²	134	32.2 Å²	32.2	87%	0.87	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-54.6	126.7	170	-24.5	34.5	0	0	0	111.3	G172	P170-G172 VanDerWaalsContact C-N 3.27Å; P170-G172 PolarHBondContact O-N 3.36Å
171	G	97.2	Very high	98.6	Very high	84 Å²	84	32.1 Å²	32.1	87%	0.866	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	75.7	10.9	-174.7	0	0	0	0	0	114.8	A169	A169-G171 PolarHBondContact O-N 3.02Å
172	G	98.5	Very high	98.6	Very high	11 Å²	11	34.5 Å²	34.5	11%	0.113	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	164.3	172	0	0	0	0	0	112.7	D140 A169 P170 Y241	D140-G172 CarbonylContact O-C 3.5Å; D140-G172 WeakPolarHBondContact O-CA 3.17Å; A169-G172 PolarHBondContact O-N 3.45Å; P170-G172 VanDerWaalsContact C-N 3.27Å; P170-G172 PolarHBondContact O-N 3.36Å; G172-Y241 WeakPolarHBondContact O-CE1 3.24Å
173	I	98.6	Very high	98.6	Very high	30 Å²	30	30.9 Å²	30.9	15%	0.154	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.6	-175.3	-59.8	170.7	0	0	0	109.9	L67 D140 I141 V142 M175	L67-I173 HydrophobicContact CB-CD1 4.1Å; L67-I173 HydrophobicContact CD2-CD1 4.11Å; L67-I173 HydrophobicContact CG-CD1 4.47Å; D140-I173 PolarHBondContact O-N 2.88Å; I141-I173 CarbonylContact C-O 3.47Å; I141-I173 VanDerWaalsContact CA-O 3.24Å; I141-I173 WeakPolarHBondContact CA-O 3.44Å; I141-I173 HydrophobicContact CG1-CB 4.33Å; V142-I173 PolarHBondContact N-O 3.48Å; I173-M175 HydrophobicContact CG2-CE 4.1Å; I173-M175 HydrophobicContact CG2-CG 4Å
174	I	98.8	Very high	98.6	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.3	171	-51.2	173.1	0	0	0	108.1	V142 R164 L168 P176 D177 M240 Y241	V142-I174 CarbonylContact O-C 3.6Å; V142-I174 VanDerWaalsContact O-CA 3.28Å; V142-I174 WeakPolarHBondContact O-CA 3.39Å; R164-I174 HydrophobicContact CB-CD1 4.36Å; R164-I174 HydrophobicContact CG-CD1 3.8Å; L168-I174 HydrophobicContact CD2-CD1 4Å; L168-I174 HydrophobicContact CD2-CG1 3.72Å; I174-P176 WeakPolarHBondContact CG2-O 3.45Å; I174-P176 CarbonylContact O-C 3.37Å; I174-D177 HydrophobicContact CB-CB 4.43Å; I174-D177 WeakPolarHBondContact O-CB 3.34Å; I174-M240 HydrophobicContact CB-CB 4.3Å; I174-M240 HydrophobicContact CD1-CB 3.9Å; I174-M240 VanDerWaalsContact CD1-O 3.32Å; I174-M240 WeakPolarHBondContact CD1-O 3.32Å; I174-M240 HydrophobicContact CG2-CB 4.02Å; I174-M240 HydrophobicContact CG2-CE 4.39Å; I174-M240 HydrophobicContact CG2-CG 4.48Å; I174-Y241 HydrophobicContact CB-CE1 4.32Å; I174-Y241 HydrophobicContact CD1-CD1 3.8Å; I174-Y241 HydrophobicContact CD1-CE1 4.02Å; I174-Y241 HydrophobicContact CD1-CG 4.39Å; I174-Y241 HydrophobicContact CG1-CD1 4.12Å; I174-Y241 HydrophobicContact CG1-CE1 3.8Å; I174-Y241 PolarHBondContact N-OH 2.86Å
175	M	98.6	Very high	98.6	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	110.8	-178.3	-71.4	-167.6	160.6	0	0	110.7	L61 L67 I141 V142 I143 S144 I173 F275	L61-M175 HydrophobicContact CD2-SD 3.84Å; L67-M175 HydrophobicContact CD1-CE 3.97Å; I141-M175 HydrophobicContact CG2-CG 4.38Å; I141-M175 HydrophobicContact CG2-SD 4.47Å; V142-M175 PolarHBondContact O-N 2.91Å; I143-M175 WeakPolarHBondContact CA-O 3.39Å; I143-M175 HydrophobicContact CB-CB 4.39Å; I143-M175 HydrophobicContact CD1-CB 4.5Å; I143-M175 HydrophobicContact CG1-CB 4.08Å; I143-M175 WeakPolarHBondContact CG1-O 3.46Å; S144-M175 PolarHBondContact N-O 2.76Å; S144-M175 VanDerWaalsContact N-O 3.09Å; I173-M175 HydrophobicContact CG2-CE 4.1Å; I173-M175 HydrophobicContact CG2-CG 4Å; M175-F275 HydrophobicContact CB-CD1 3.89Å; M175-F275 HydrophobicContact CB-CE1 3.95Å; M175-F275 HydrophobicContact CG-CD1 4.19Å
176	P	98.7	Very high	98.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.152	C	C	.	.	S	Bend	cis	-70.5	158.7	-7.4	32.3	-37	0	0	0	112.1	Y57 S144 M147 I174 I273 D274 F275	Y57-P176 WeakPolarHBondContact OH-CD 3.45Å; S144-P176 VanDerWaalsContact O-CD 3.3Å; S144-P176 WeakPolarHBondContact O-CD 3.17Å; M147-P176 HydrophobicContact SD-CG 4.32Å; I174-P176 WeakPolarHBondContact CG2-O 3.45Å; I174-P176 CarbonylContact O-C 3.37Å; P176-I273 HydrophobicContact CB-CG2 3.31Å; P176-I273 HydrophobicContact CG-CG2 3.5Å; P176-D274 VanDerWaalsContact CB-O 3.29Å; P176-D274 WeakPolarHBondContact CB-O 3.18Å; P176-F275 HydrophobicContact CB-CD1 4.16Å; P176-F275 HydrophobicContact CB-CD2 4.26Å; P176-F275 HydrophobicContact CB-CE1 3.96Å; P176-F275 HydrophobicContact CB-CE2 4.02Å; P176-F275 HydrophobicContact CB-CG 4.31Å; P176-F275 HydrophobicContact CB-CZ 3.88Å; P176-F275 HydrophobicContact CG-CZ 4.39Å
177	D	98.6	Very high	98.6	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	15%	0.152	C	C	.	.			trans	-107.4	-11.3	-179.3	47.9	16.3	0	0	0	113.6	I174 M240 Y241 D274 T276 S277	I174-D177 HydrophobicContact CB-CB 4.43Å; I174-D177 WeakPolarHBondContact O-CB 3.34Å; D177-M240 VanDerWaalsContact C-CG 3.5Å; D177-M240 VanDerWaalsContact O-CB 3.27Å; D177-M240 WeakPolarHBondContact O-CB 3.23Å; D177-M240 VanDerWaalsContact O-CG 3.28Å; D177-M240 WeakPolarHBondContact O-CG 3.26Å; D177-M240 PolarHBondContact O-N 2.77Å; D177-Y241 HydrophobicContact CB-CD2 4.27Å; D177-Y241 HydrophobicContact CB-CE2 3.46Å; D177-Y241 VanDerWaalsContact CB-CE2 3.46Å; D177-D274 PolarHBondContact N-O 3.02Å; D177-D274 VanDerWaalsContact OD1-O 3.11Å; D177-T276 WeakPolarHBondContact OD1-CG2 3.29Å; D177-T276 PolarHBondContact OD1-N 2.87Å; D177-T276 PolarHBondContact OD1-OG1 2.85Å; D177-T276 VanDerWaalsContact OD1-OG1 3.13Å; D177-T276 PolarHBondContact OD2-N 2.96Å; D177-T276 PolarHBondContact OD2-OG1 2.86Å; D177-S277 PolarHBondContact OD2-N 3.06Å; D177-S277 VanDerWaalsContact OD2-N 3.11Å; D177-S277 PolarHBondContact OD2-OG 2.58Å; D177-S277 VanDerWaalsContact OD2-OG 3.06Å
178	R	98.8	Very high	98.5	Very high	88 Å²	88	24.7 Å²	24.7	33%	0.332	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	136.9	179.3	177.6	-179.3	-174.9	-127.1	8.2	112.3	E237 V238 D274 T276	R178-E237 IonicContact CZ-OE1 3.69Å; R178-E237 IonicContact NE-OE1 3.69Å; R178-E237 PolarHBondContact NE-OE1 3.38Å; R178-E237 IonicContact NH2-OE1 3.96Å; R178-E237 PolarHBondContact NH2-OE1 3.35Å; R178-V238 VanDerWaalsContact CA-O 3.32Å; R178-V238 WeakPolarHBondContact CA-O 3.29Å; R178-D274 HydrophobicContact CB-CB 4.09Å; R178-D274 HydrophobicContact CG-CB 4.46Å; R178-D274 IonicContact CZ-OD2 2.7Å; R178-D274 PolarHBondContact N-O 3.36Å; R178-D274 IonicContact NH1-OD2 2.7Å; R178-D274 PolarHBondContact NH1-OD2 3.16Å; R178-D274 PolarHBondContact O-N 3.38Å; R178-T276 HydrophobicContact CB-CG2 3.95Å
179	A	98.8	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.3	172.9	0	0	0	0	0	110.8	W146 L151 V238 N272 I273	W146-A179 HydrophobicContact CH2-CB 3.79Å; W146-A179 HydrophobicContact CZ2-CB 4.01Å; L151-A179 HydrophobicContact CD1-CB 4.05Å; L151-A179 HydrophobicContact CD2-CB 4Å; A179-V238 HydrophobicContact CB-CB 4.18Å; A179-V238 PolarHBondContact N-O 3.43Å; A179-V238 PolarHBondContact O-N 2.92Å; A179-N272 CarbonylContact C-O 3.54Å; A179-N272 WeakPolarHBondContact CA-O 2.95Å; A179-I273 HydrophobicContact CB-CD1 3.55Å
180	T	98.7	Very high	98.2	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130	178.2	44.3	0	0	0	0	110.4	Y182 L234 K236 E237 F271 N272	T180-Y182 WeakPolarHBondContact OG1-CE2 3.48Å; T180-L234 HydrophobicContact CG2-CD1 3.82Å; T180-K236 CarbonylContact C-O 3.58Å; T180-K236 VanDerWaalsContact CA-O 3.3Å; T180-K236 WeakPolarHBondContact CA-O 3.25Å; T180-E237 HydrophobicContact CG2-CB 4.16Å; T180-E237 HydrophobicContact CG2-CG 3.92Å; T180-F271 CarbonylContact O-C 3.54Å; T180-F271 WeakPolarHBondContact O-CA 3.39Å; T180-F271 WeakPolarHBondContact O-CB 3.44Å; T180-N272 PolarHBondContact N-O 3.01Å; T180-N272 PolarHBondContact O-N 3.03Å; T180-N272 WeakPolarHBondContact OG1-CB 3.33Å
181	L	98.8	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.8	175.8	-174.3	70.7	0	0	0	109.3	L151 F152 V235 K236 F250 F271 I325	L151-L181 HydrophobicContact CB-CD1 4.06Å; L151-L181 HydrophobicContact CD2-CB 4.15Å; F152-L181 HydrophobicContact CD2-CD2 4.36Å; F152-L181 HydrophobicContact CE2-CD2 3.99Å; L181-V235 HydrophobicContact CB-CG2 4.03Å; L181-V235 HydrophobicContact CD2-CG2 3.81Å; L181-V235 HydrophobicContact CG-CG2 3.74Å; L181-V235 VanDerWaalsContact O-CG2 3.23Å; L181-V235 WeakPolarHBondContact O-CG2 3.12Å; L181-V235 PolarHBondContact O-N 2.84Å; L181-K236 HydrophobicContact CB-CB 4.03Å; L181-K236 PolarHBondContact N-O 3.2Å; L181-K236 PolarHBondContact O-N 2.7Å; L181-F250 HydrophobicContact CD2-CZ 4.28Å; L181-F271 HydrophobicContact CD1-CB 4.22Å; L181-I325 HydrophobicContact CD2-CD1 3.91Å
182	Y	98.7	Very high	97.9	Very high	56 Å²	56	26 Å²	26	22%	0.22	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	157.9	178.8	-68.4	-92.1	0	0	0	111.2	T180 C232 C233 L234 T269 F270 N272	T180-Y182 WeakPolarHBondContact OG1-CE2 3.48Å; Y182-C232 HydrophobicContact CD1-CB 4.3Å; Y182-C233 CarbonylContact C-O 3.55Å; Y182-C233 VanDerWaalsContact CA-O 3.23Å; Y182-C233 WeakPolarHBondContact CA-O 3.41Å; Y182-L234 HydrophobicContact CD1-CB 4.14Å; Y182-L234 HydrophobicContact CD1-CD1 4.45Å; Y182-L234 HydrophobicContact CE1-CB 3.82Å; Y182-L234 HydrophobicContact CE1-CD1 4.01Å; Y182-L234 HydrophobicContact CE2-CD1 4.15Å; Y182-T269 WeakPolarHBondContact O-CA 3.36Å; Y182-T269 WeakPolarHBondContact O-CB 3.48Å; Y182-F270 VanDerWaalsContact CB-CZ 3.49Å; Y182-F270 HydrophobicContact CD2-CD2 4.46Å; Y182-F270 AromaticContact CD2-CE2 3.94Å; Y182-F270 HydrophobicContact CD2-CE2 3.94Å; Y182-F270 HydrophobicContact CD2-CZ 4.45Å; Y182-F270 AromaticContact CG-CE2 3.97Å; Y182-F270 HydrophobicContact CG-CE2 3.97Å; Y182-F270 HydrophobicContact CG-CZ 4.03Å; Y182-F270 PolarHBondContact N-O 2.58Å; Y182-F270 PolarHBondContact O-N 3.24Å; Y182-N272 WeakPolarHBondContact CE2-ND2 3.34Å
183	V	98.8	Very high	97.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.8	168.6	69.5	0	0	0	0	110.5	C232 C233 V235 F254 L256 L267 V268 T269 M323	V183-C232 CarbonylContact O-C 3.53Å; V183-C232 VanDerWaalsContact O-CA 3.3Å; V183-C232 WeakPolarHBondContact O-CA 3.35Å; V183-C233 HydrophobicContact CG1-CB 4.13Å; V183-C233 PolarHBondContact N-O 3.44Å; V183-C233 PolarHBondContact O-N 3.47Å; V183-V235 HydrophobicContact CB-CG1 4.24Å; V183-V235 HydrophobicContact CG1-CG1 3.63Å; V183-F254 HydrophobicContact CG1-CB 3.86Å; V183-F254 HydrophobicContact CG1-CD1 4.35Å; V183-F254 HydrophobicContact CG1-CD2 4.3Å; V183-F254 HydrophobicContact CG1-CG 3.92Å; V183-L256 HydrophobicContact CG1-CD2 4.31Å; V183-L256 WeakPolarHBondContact O-CD2 3.32Å; V183-L267 HydrophobicContact CG2-CB 4.06Å; V183-L267 HydrophobicContact CG2-CD1 4.37Å; V183-V268 CarbonylContact C-O 3.56Å; V183-V268 VanDerWaalsContact CA-O 3.29Å; V183-V268 WeakPolarHBondContact CA-O 3.46Å; V183-T269 HydrophobicContact CB-CG2 4.3Å; V183-T269 HydrophobicContact CG2-CG2 4.22Å; V183-M323 HydrophobicContact CB-CE 4.39Å; V183-M323 HydrophobicContact CG2-CE 3.98Å
184	C	98.5	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	175.8	167.5	65.6	0	0	0	0	109.8	V228 C232 L267 V268	C184-V228 HydrophobicContact CB-CG1 4.25Å; C184-C232 HydrophobicContact CB-CB 4.47Å; C184-L267 CarbonylContact O-C 3.55Å; C184-L267 WeakPolarHBondContact O-CA 3.42Å; C184-V268 PolarHBondContact N-O 2.85Å; C184-V268 PolarHBondContact O-N 3.16Å
185	A	98.7	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	146.1	178.3	0	0	0	0	0	111.7	V229 T230 L256 I264 A266 L267	A185-V229 PolarHBondContact O-N 2.8Å; A185-T230 HydrophobicContact CB-CG2 3.69Å; A185-T230 PolarHBondContact N-OG1 2.89Å; A185-L256 HydrophobicContact CB-CD1 4.05Å; A185-I264 HydrophobicContact CB-CD1 3.83Å; A185-I264 HydrophobicContact CB-CG1 4.22Å; A185-I264 HydrophobicContact CB-CG2 3.75Å; A185-A266 WeakPolarHBondContact CA-O 3.31Å; A185-L267 HydrophobicContact CB-CD2 3.66Å
186	I	98.3	Very high	96.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.1	-173.7	67.3	167.3	0	0	0	113.1	D188 V223 Q227 V228 I264 Q265 A266 V268 V300	I186-D188 HydrophobicContact CD1-CB 3.68Å; I186-D188 HydrophobicContact CG1-CB 4.07Å; I186-V223 HydrophobicContact CD1-CG1 4.19Å; I186-V223 HydrophobicContact CD1-CG2 4.25Å; I186-V223 HydrophobicContact CG2-CG1 3.87Å; I186-Q227 CarbonylContact C-O 3.54Å; I186-Q227 VanDerWaalsContact CA-O 3.25Å; I186-Q227 WeakPolarHBondContact CA-O 3.37Å; I186-Q227 HydrophobicContact CB-CB 4.24Å; I186-V228 HydrophobicContact CG2-CG2 4.24Å; I186-I264 WeakPolarHBondContact O-CA 3.47Å; I186-Q265 PolarHBondContact O-N 3.26Å; I186-A266 HydrophobicContact CD1-CB 4.22Å; I186-A266 HydrophobicContact CG1-CB 3.87Å; I186-A266 PolarHBondContact N-O 3.2Å; I186-V268 HydrophobicContact CB-CG2 4.26Å; I186-V268 HydrophobicContact CD1-CG2 3.54Å; I186-V268 HydrophobicContact CG1-CG2 3.74Å; I186-V268 HydrophobicContact CG2-CB 4.32Å; I186-V268 HydrophobicContact CG2-CG2 3.5Å; I186-V300 HydrophobicContact CD1-CG1 4.24Å
187	E	98.3	Very high	96.5	Very high	51 Å²	51	37.3 Å²	37.3	24%	0.238	17%	0.166	C	C	.	.			trans	-85	124.9	159.2	-169.3	-73.9	127.8	0	0	108.4	R189 Q227 V229 Y263 Q265	E187-R189 VanDerWaalsContact OE1-CB 3.27Å; E187-R189 WeakPolarHBondContact OE1-CB 3.3Å; E187-R189 PolarHBondContact OE1-N 3.4Å; E187-Q227 PolarHBondContact N-O 2.9Å; E187-Q227 VanDerWaalsContact O-CB 3.25Å; E187-Q227 WeakPolarHBondContact O-CB 3.46Å; E187-Q227 WeakPolarHBondContact O-CG 3.25Å; E187-Q227 PolarHBondContact O-NE2 2.79Å; E187-V229 HydrophobicContact CB-CG2 3.96Å; E187-Y263 WeakPolarHBondContact CA-O 3.3Å; E187-Y263 VanDerWaalsContact CB-O 3.31Å; E187-Y263 WeakPolarHBondContact CB-O 3.45Å; E187-Q265 VanDerWaalsContact CA-OE1 3.24Å
188	D	97.7	Very high	96.3	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.048	19%	0.186	C	C	.	.			trans	-151.6	34.9	-175.6	-157.5	26.1	0	0	0	113.3	I186 Q190 Y191 K192 Q227 Y302	I186-D188 HydrophobicContact CD1-CB 3.68Å; I186-D188 HydrophobicContact CG1-CB 4.07Å; D188-Q190 VanDerWaalsContact C-N 3.34Å; D188-Q190 PolarHBondContact O-N 2.74Å; D188-Y191 PolarHBondContact O-N 2.87Å; D188-Y191 WeakPolarHBondContact OD1-CB 3.22Å; D188-K192 VanDerWaalsContact O-CB 3.24Å; D188-K192 WeakPolarHBondContact O-CB 3.36Å; D188-K192 PolarHBondContact O-N 3.12Å; D188-Q227 PolarHBondContact OD1-NE2 3.26Å; D188-Y302 HydrophobicContact CB-CE1 4.43Å; D188-Y302 PolarHBondContact OD2-OH 3.32Å; D188-Y302 VanDerWaalsContact OD2-OH 3.12Å
189	R	96	Very high	96.1	Very high	64 Å²	64	41.7 Å²	41.7	24%	0.242	18%	0.183	C	C	.	.	H	α-helix	trans	-55.8	-48.2	-175.4	175.6	60.6	68.8	-174.8	5.8	112.1	E187 Y191 K192 D193 D309 C310	E187-R189 VanDerWaalsContact OE1-CB 3.27Å; E187-R189 WeakPolarHBondContact OE1-CB 3.3Å; E187-R189 PolarHBondContact OE1-N 3.4Å; R189-Y191 PolarHBondContact O-N 2.8Å; R189-K192 PolarHBondContact O-N 2.91Å; R189-D193 VanDerWaalsContact O-CG 3.26Å; R189-D193 PolarHBondContact O-N 2.98Å; R189-D309 IonicContact CZ-OD1 3.69Å; R189-D309 IonicContact CZ-OD2 2.77Å; R189-D309 IonicContact NH1-OD1 3.53Å; R189-D309 IonicContact NH1-OD2 2.77Å; R189-D309 PolarHBondContact NH1-OD2 2.75Å; R189-D309 IonicContact NH2-OD1 2.7Å; R189-D309 PolarHBondContact NH2-OD1 3.35Å; R189-D309 IonicContact NH2-OD2 2.87Å; R189-D309 PolarHBondContact NH2-OD2 3.03Å; R189-C310 PolarHBondContact NH2-SG 2.99Å
190	Q	94.5	Very high	95.9	Very high	167 Å²	167	44.9 Å²	44.9	78%	0.78	20%	0.2	S	C	*	.	H	α-helix	trans	-62.8	-45	-174.5	-176.7	178.6	-5.9	0	0	112.1	D188 D193 E194	D188-Q190 VanDerWaalsContact C-N 3.34Å; D188-Q190 PolarHBondContact O-N 2.74Å; Q190-D193 PolarHBondContact O-N 3.05Å; Q190-E194 PolarHBondContact O-N 3.29Å
191	Y	93.9	Very high	95.7	Very high	60 Å²	60	48.5 Å²	48.5	24%	0.235	23%	0.225	C	C	.	.	H	α-helix	trans	-74.8	-35.5	-178.6	-160	-122.6	0	0	0	111.8	D188 R189 D193 E194 K195 L219 D221	D188-Y191 PolarHBondContact O-N 2.87Å; D188-Y191 WeakPolarHBondContact OD1-CB 3.22Å; R189-Y191 PolarHBondContact O-N 2.8Å; Y191-D193 VanDerWaalsContact C-N 3.3Å; Y191-D193 PolarHBondContact O-N 3.26Å; Y191-E194 PolarHBondContact O-N 2.91Å; Y191-K195 HydrophobicContact CD1-CG 4.21Å; Y191-K195 HydrophobicContact CD2-CG 4.38Å; Y191-K195 HydrophobicContact CE1-CG 3.92Å; Y191-K195 HydrophobicContact CE2-CD 4.4Å; Y191-K195 VanDerWaalsContact CE2-CE 3.46Å; Y191-K195 HydrophobicContact CE2-CG 4.08Å; Y191-K195 HydrophobicContact CG-CG 4.43Å; Y191-K195 PolarHBondContact O-N 2.72Å; Y191-K195 WeakPolarHBondContact OH-CE 3.43Å; Y191-L219 HydrophobicContact CE1-CD2 4.26Å; Y191-D221 HydrophobicContact CE1-CB 4.45Å; Y191-D221 PolarHBondContact OH-OD2 3.33Å
192	K	94.9	Very high	95.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.9	-44.1	169.2	-173.7	176.8	173.1	177.4	0	111.5	D188 R189 E194 K195 I196 N197 Q265 Y302 D304 D309	D188-K192 VanDerWaalsContact O-CB 3.24Å; D188-K192 WeakPolarHBondContact O-CB 3.36Å; D188-K192 PolarHBondContact O-N 3.12Å; R189-K192 PolarHBondContact O-N 2.91Å; K192-E194 VanDerWaalsContact C-N 3.32Å; K192-E194 PolarHBondContact O-N 3.36Å; K192-K195 PolarHBondContact O-N 2.74Å; K192-I196 HydrophobicContact CG-CB 4.08Å; K192-I196 HydrophobicContact CG-CG1 4.2Å; K192-I196 WeakPolarHBondContact O-CA 3.24Å; K192-I196 VanDerWaalsContact O-CB 3.24Å; K192-I196 WeakPolarHBondContact O-CB 3.22Å; K192-I196 PolarHBondContact O-N 2.83Å; K192-N197 PolarHBondContact O-N 3.25Å; K192-N197 VanDerWaalsContact O-N 3.12Å; K192-Q265 HydrophobicContact CD-CB 4.11Å; K192-Q265 HydrophobicContact CD-CG 4.12Å; K192-Y302 WeakPolarHBondContact CA-OH 3.18Å; K192-Y302 HydrophobicContact CB-CD1 4.15Å; K192-Y302 HydrophobicContact CB-CE1 3.54Å; K192-Y302 HydrophobicContact CD-CD1 3.84Å; K192-Y302 HydrophobicContact CD-CE1 4.12Å; K192-Y302 HydrophobicContact CG-CD1 3.92Å; K192-Y302 HydrophobicContact CG-CE1 3.8Å; K192-Y302 HydrophobicContact CG-CG 4.49Å; K192-Y302 PolarHBondContact N-OH 3.01Å; K192-D304 WeakPolarHBondContact CE-OD2 3.44Å; K192-D304 IonicContact NZ-OD2 3.61Å; K192-D304 PolarHBondContact NZ-OD2 3.37Å; K192-D309 PolarHBondContact NZ-O 2.97Å
193	D	93.9	Very high	95.5	Very high	68 Å²	68	56.1 Å²	56.1	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-39.4	179	-71.3	-21.2	0	0	0	111.8	R189 Q190 Y191 N197 W198	R189-D193 VanDerWaalsContact O-CG 3.26Å; R189-D193 PolarHBondContact O-N 2.98Å; Q190-D193 PolarHBondContact O-N 3.05Å; Y191-D193 VanDerWaalsContact C-N 3.3Å; Y191-D193 PolarHBondContact O-N 3.26Å; D193-N197 CarbonylContact O-C 3.44Å; D193-N197 PolarHBondContact OD1-ND2 2.94Å; D193-W198 PolarHBondContact O-N 2.59Å
194	E	93.6	Very high	95.4	Very high	107 Å²	107	59 Å²	59	50%	0.5	29%	0.285	S	S	.	.	H	α-helix	trans	-68.5	-41.8	177.5	-168.8	-167.5	132.7	0	0	113.2	Q190 Y191 K192 W198	Q190-E194 PolarHBondContact O-N 3.29Å; Y191-E194 PolarHBondContact O-N 2.91Å; K192-E194 VanDerWaalsContact C-N 3.32Å; K192-E194 PolarHBondContact O-N 3.36Å; E194-W198 WeakPolarHBondContact O-CB 3.5Å
195	K	91.7	Very high	95.3	Very high	77 Å²	77	65.7 Å²	65.7	34%	0.335	32%	0.315	S	S	.	.	H	α-helix	trans	-95	-33.8	-171.9	-62.8	-54	-172.7	-151	0	114.4	Y191 K192 W199 L219	Y191-K195 HydrophobicContact CD1-CG 4.21Å; Y191-K195 HydrophobicContact CD2-CG 4.38Å; Y191-K195 HydrophobicContact CE1-CG 3.92Å; Y191-K195 HydrophobicContact CE2-CD 4.4Å; Y191-K195 VanDerWaalsContact CE2-CE 3.46Å; Y191-K195 HydrophobicContact CE2-CG 4.08Å; Y191-K195 HydrophobicContact CG-CG 4.43Å; Y191-K195 PolarHBondContact O-N 2.72Å; Y191-K195 WeakPolarHBondContact OH-CE 3.43Å; K192-K195 PolarHBondContact O-N 2.74Å; K195-W199 PolarHBondContact O-NE1 2.84Å; K195-L219 HydrophobicContact CB-CD2 4.09Å; K195-L219 HydrophobicContact CG-CD2 4.06Å
196	I	93.1	Very high	95.3	Very high	2 Å²	2	71.3 Å²	71.3	1%	0.01	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-60	-172.3	-56.5	-58.3	0	0	0	110.4	K192 W198 W199 R211 A214 L215 L219 Y302	K192-I196 HydrophobicContact CG-CB 4.08Å; K192-I196 HydrophobicContact CG-CG1 4.2Å; K192-I196 WeakPolarHBondContact O-CA 3.24Å; K192-I196 VanDerWaalsContact O-CB 3.24Å; K192-I196 WeakPolarHBondContact O-CB 3.22Å; K192-I196 PolarHBondContact O-N 2.83Å; I196-W198 VanDerWaalsContact C-N 3.26Å; I196-W198 PolarHBondContact O-N 3.04Å; I196-W199 PolarHBondContact O-N 3.15Å; I196-R211 HydrophobicContact CG2-CG 3.65Å; I196-R211 WeakPolarHBondContact O-CG 3.11Å; I196-A214 HydrophobicContact CD1-CB 3.98Å; I196-L215 HydrophobicContact CD1-CD2 4.36Å; I196-L215 HydrophobicContact CG1-CD2 4.3Å; I196-L215 HydrophobicContact CG2-CD1 4.31Å; I196-L215 HydrophobicContact CG2-CD2 3.52Å; I196-L215 HydrophobicContact CG2-CG 3.72Å; I196-L219 HydrophobicContact CD1-CD1 4.45Å; I196-Y302 HydrophobicContact CD1-CD2 3.94Å; I196-Y302 HydrophobicContact CD1-CE2 4.04Å; I196-Y302 HydrophobicContact CG1-CD2 3.66Å; I196-Y302 HydrophobicContact CG1-CE2 3.62Å; I196-Y302 HydrophobicContact CG1-CG 4.39Å
197	N	92.6	Very high	95.2	Very high	29 Å²	29	74 Å²	74	16%	0.155	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-76.3	-14.5	-172.6	-57.9	-25.1	0	0	0	113	K192 D193 W199 D200 R211	K192-N197 PolarHBondContact O-N 3.25Å; K192-N197 VanDerWaalsContact O-N 3.12Å; D193-N197 CarbonylContact O-C 3.44Å; D193-N197 PolarHBondContact OD1-ND2 2.94Å; N197-W199 PolarHBondContact O-N 3.03Å; N197-W199 VanDerWaalsContact O-N 3.14Å; N197-D200 WeakPolarHBondContact O-CB 3.33Å; N197-D200 PolarHBondContact O-N 2.87Å; N197-R211 PolarHBondContact OD1-NE 2.94Å
198	W	94.5	Very high	95	Very high	116 Å²	116	73.2 Å²	73.2	44%	0.439	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-53.2	-33.6	171.5	-179.6	81.3	0	0	0	113	D193 E194 I196 D200 S201 V202	D193-W198 PolarHBondContact O-N 2.59Å; E194-W198 WeakPolarHBondContact O-CB 3.5Å; I196-W198 VanDerWaalsContact C-N 3.26Å; I196-W198 PolarHBondContact O-N 3.04Å; W198-D200 PolarHBondContact O-N 2.9Å; W198-S201 CarbonylContact O-C 3.55Å; W198-S201 PolarHBondContact O-N 2.87Å; W198-V202 HydrophobicContact CD2-CG2 4.19Å; W198-V202 HydrophobicContact CE3-CG2 3.8Å; W198-V202 HydrophobicContact CH2-CB 4.26Å; W198-V202 HydrophobicContact CH2-CG1 3.49Å; W198-V202 VanDerWaalsContact CH2-CG1 3.49Å; W198-V202 HydrophobicContact CH2-CG2 3.81Å; W198-V202 HydrophobicContact CZ2-CB 4.45Å; W198-V202 HydrophobicContact CZ2-CG1 3.77Å; W198-V202 HydrophobicContact CZ2-CG2 4.18Å; W198-V202 HydrophobicContact CZ3-CG1 4.14Å; W198-V202 HydrophobicContact CZ3-CG2 3.6Å; W198-V202 WeakPolarHBondContact O-CG2 3.27Å
199	W	95.2	Very high	94.9	Very high	68 Å²	68	77 Å²	77	26%	0.258	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-66.3	-17.3	178.2	-67	107.6	0	0	0	113.9	K195 I196 N197 S201 V202 M207 S208 I210 R211	K195-W199 PolarHBondContact O-NE1 2.84Å; I196-W199 PolarHBondContact O-N 3.15Å; N197-W199 PolarHBondContact O-N 3.03Å; N197-W199 VanDerWaalsContact O-N 3.14Å; W199-S201 VanDerWaalsContact C-N 3.26Å; W199-S201 PolarHBondContact O-N 3.03Å; W199-V202 HydrophobicContact CE3-CG2 3.92Å; W199-V202 HydrophobicContact CZ3-CG2 4.48Å; W199-M207 HydrophobicContact CE3-CB 3.99Å; W199-M207 HydrophobicContact CE3-SD 4.18Å; W199-M207 HydrophobicContact CZ3-SD 4.1Å; W199-M207 CarbonylContact O-C 3.55Å; W199-M207 WeakPolarHBondContact O-CA 3.22Å; W199-M207 VanDerWaalsContact O-CB 3.3Å; W199-M207 WeakPolarHBondContact O-CB 3.05Å; W199-M207 PolarHBondContact O-N 3.03Å; W199-S208 PolarHBondContact O-N 3.3Å; W199-I210 HydrophobicContact CD2-CB 4.05Å; W199-I210 HydrophobicContact CD2-CG2 3.71Å; W199-I210 HydrophobicContact CE3-CB 3.96Å; W199-I210 HydrophobicContact CE3-CD1 3.88Å; W199-I210 HydrophobicContact CE3-CG1 4.5Å; W199-I210 HydrophobicContact CE3-CG2 3.87Å; W199-I210 HydrophobicContact CG-CB 4.42Å; W199-I210 HydrophobicContact CG-CG2 4.28Å; W199-I210 HydrophobicContact CH2-CD1 4.34Å; W199-I210 HydrophobicContact CH2-CG2 4.1Å; W199-I210 HydrophobicContact CZ2-CG2 3.95Å; W199-I210 HydrophobicContact CZ3-CB 4.41Å; W199-I210 HydrophobicContact CZ3-CD1 3.64Å; W199-I210 HydrophobicContact CZ3-CG2 4.06Å; W199-R211 HydrophobicContact CB-CB 3.9Å
200	D	93.6	Very high	94.8	Very high	67 Å²	67	77.3 Å²	77.3	36%	0.358	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-71.1	-22.9	178.7	-64.7	-32.3	0	0	0	112.4	N197 W198 S208 R211	N197-D200 WeakPolarHBondContact O-CB 3.33Å; N197-D200 PolarHBondContact O-N 2.87Å; W198-D200 PolarHBondContact O-N 2.9Å; D200-S208 WeakPolarHBondContact OD1-CB 3.32Å; D200-R211 WeakPolarHBondContact OD1-CD 3.01Å; D200-R211 IonicContact OD1-NE 2.88Å; D200-R211 IonicContact OD2-NE 3.88Å
201	S	95.5	Very high	94.8	Very high	77 Å²	77	70.9 Å²	70.9	54%	0.538	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-150.9	78.6	176.1	-159	0	0	0	0	112.5	W198 W199 Y203 F205	W198-S201 CarbonylContact O-C 3.55Å; W198-S201 PolarHBondContact O-N 2.87Å; W199-S201 VanDerWaalsContact C-N 3.26Å; W199-S201 PolarHBondContact O-N 3.03Å; S201-Y203 PolarHBondContact O-N 3.03Å; S201-F205 CarbonylContact C-O 3.07Å; S201-F205 WeakPolarHBondContact CA-O 3.28Å
202	V	96.4	Very high	94.7	Very high	9 Å²	9	75 Å²	75	6%	0.055	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-83.5	98.1	177.5	-179.3	0	0	0	0	108.8	W198 W199 G204 F205 M207	W198-V202 HydrophobicContact CD2-CG2 4.19Å; W198-V202 HydrophobicContact CE3-CG2 3.8Å; W198-V202 HydrophobicContact CH2-CB 4.26Å; W198-V202 HydrophobicContact CH2-CG1 3.49Å; W198-V202 VanDerWaalsContact CH2-CG1 3.49Å; W198-V202 HydrophobicContact CH2-CG2 3.81Å; W198-V202 HydrophobicContact CZ2-CB 4.45Å; W198-V202 HydrophobicContact CZ2-CG1 3.77Å; W198-V202 HydrophobicContact CZ2-CG2 4.18Å; W198-V202 HydrophobicContact CZ3-CG1 4.14Å; W198-V202 HydrophobicContact CZ3-CG2 3.6Å; W198-V202 WeakPolarHBondContact O-CG2 3.27Å; W199-V202 HydrophobicContact CE3-CG2 3.92Å; W199-V202 HydrophobicContact CZ3-CG2 4.48Å; V202-G204 PolarHBondContact O-N 3.1Å; V202-F205 PolarHBondContact N-O 3.05Å; V202-F205 WeakPolarHBondContact O-CB 3.34Å; V202-F205 WeakPolarHBondContact O-CD2 3.33Å; V202-F205 PolarHBondContact O-N 2.81Å; V202-M207 HydrophobicContact CB-CE 3.89Å; V202-M207 HydrophobicContact CB-CG 4.1Å; V202-M207 HydrophobicContact CB-SD 3.77Å; V202-M207 HydrophobicContact CG1-CE 3.83Å; V202-M207 HydrophobicContact CG1-SD 3.97Å; V202-M207 HydrophobicContact CG2-CB 4.12Å; V202-M207 HydrophobicContact CG2-CG 4.02Å; V202-M207 HydrophobicContact CG2-SD 3.79Å
203	Y	95.9	Very high	94.5	Very high	207 Å²	207	78.3 Å²	78.3	81%	0.812	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	35.9	-174.4	-54.9	-79.4	0	0	0	113.4	S201	S201-Y203 PolarHBondContact O-N 3.03Å
204	G	96.2	Very high	94.5	Very high	60 Å²	60	76 Å²	76	62%	0.619	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-1.4	-178	0	0	0	0	0	115	V202	V202-G204 PolarHBondContact O-N 3.1Å
205	F	97.7	Very high	94.5	Very high	142 Å²	142	71.8 Å²	71.8	62%	0.623	37%	0.369	S	S	*	.	B	Isolated β-bridge	trans	-96.1	132.5	173.3	-57.9	-74.9	0	0	0	110.9	S201 V202 M207	S201-F205 CarbonylContact C-O 3.07Å; S201-F205 WeakPolarHBondContact CA-O 3.28Å; V202-F205 PolarHBondContact N-O 3.05Å; V202-F205 WeakPolarHBondContact O-CB 3.34Å; V202-F205 WeakPolarHBondContact O-CD2 3.33Å; V202-F205 PolarHBondContact O-N 2.81Å; F205-M207 HydrophobicContact CB-CE 4.31Å; F205-M207 PolarHBondContact O-N 3.07Å
206	D	97	Very high	94.6	Very high	118 Å²	118	71 Å²	71	63%	0.631	37%	0.37	S	S	*	.			trans	-74	114.2	173.5	175.6	9	0	0	0	110	S208	D206-S208 WeakPolarHBondContact OD1-CB 3.19Å; D206-S208 PolarHBondContact OD1-N 2.82Å; D206-S208 PolarHBondContact OD1-OG 3.08Å
207	M	97	Very high	94.7	Very high	57 Å²	57	74 Å²	74	28%	0.281	39%	0.385	S	S	.	.			trans	-118.9	27	173.6	-57.1	-168.3	-174.6	0	0	111.5	W199 V202 F205 C209 I210	W199-M207 HydrophobicContact CE3-CB 3.99Å; W199-M207 HydrophobicContact CE3-SD 4.18Å; W199-M207 HydrophobicContact CZ3-SD 4.1Å; W199-M207 CarbonylContact O-C 3.55Å; W199-M207 WeakPolarHBondContact O-CA 3.22Å; W199-M207 VanDerWaalsContact O-CB 3.3Å; W199-M207 WeakPolarHBondContact O-CB 3.05Å; W199-M207 PolarHBondContact O-N 3.03Å; V202-M207 HydrophobicContact CB-CE 3.89Å; V202-M207 HydrophobicContact CB-CG 4.1Å; V202-M207 HydrophobicContact CB-SD 3.77Å; V202-M207 HydrophobicContact CG1-CE 3.83Å; V202-M207 HydrophobicContact CG1-SD 3.97Å; V202-M207 HydrophobicContact CG2-CB 4.12Å; V202-M207 HydrophobicContact CG2-CG 4.02Å; V202-M207 HydrophobicContact CG2-SD 3.79Å; F205-M207 HydrophobicContact CB-CE 4.31Å; F205-M207 PolarHBondContact O-N 3.07Å; M207-C209 PolarHBondContact O-N 3.11Å; M207-I210 HydrophobicContact CB-CD1 4.35Å; M207-I210 WeakPolarHBondContact O-CB 3.35Å; M207-I210 PolarHBondContact O-N 3.26Å; M207-I210 HydrophobicContact SD-CD1 4.43Å
208	S	94.4	Very high	94.9	Very high	33 Å²	33	73.4 Å²	73.4	23%	0.231	38%	0.382	C	S	.	.	H	α-helix	trans	-58.5	-17.2	-179.8	60.6	0	0	0	0	114.1	W199 D200 D206 I210 R211 K212	W199-S208 PolarHBondContact O-N 3.3Å; D200-S208 WeakPolarHBondContact OD1-CB 3.32Å; D206-S208 WeakPolarHBondContact OD1-CB 3.19Å; D206-S208 PolarHBondContact OD1-N 2.82Å; D206-S208 PolarHBondContact OD1-OG 3.08Å; S208-I210 VanDerWaalsContact C-N 3.27Å; S208-I210 PolarHBondContact O-N 3.31Å; S208-R211 WeakPolarHBondContact O-CB 3.46Å; S208-R211 PolarHBondContact O-N 3.4Å; S208-K212 PolarHBondContact O-N 3.35Å
209	C	94.5	Very high	95	Very high	90 Å²	90	69.6 Å²	69.6	61%	0.608	37%	0.37	S	S	*	.	H	α-helix	trans	-63.2	-32.8	169.9	64.8	0	0	0	0	112.8	M207	M207-C209 PolarHBondContact O-N 3.11Å
210	I	94.7	Very high	95.1	Very high	69 Å²	69	68.4 Å²	68.4	35%	0.354	37%	0.37	S	S	.	.	H	α-helix	trans	-75.8	-39.9	174.1	-59.6	177	0	0	0	109.9	W199 M207 S208 K212 V213 A214	W199-I210 HydrophobicContact CD2-CB 4.05Å; W199-I210 HydrophobicContact CD2-CG2 3.71Å; W199-I210 HydrophobicContact CE3-CB 3.96Å; W199-I210 HydrophobicContact CE3-CD1 3.88Å; W199-I210 HydrophobicContact CE3-CG1 4.5Å; W199-I210 HydrophobicContact CE3-CG2 3.87Å; W199-I210 HydrophobicContact CG-CB 4.42Å; W199-I210 HydrophobicContact CG-CG2 4.28Å; W199-I210 HydrophobicContact CH2-CD1 4.34Å; W199-I210 HydrophobicContact CH2-CG2 4.1Å; W199-I210 HydrophobicContact CZ2-CG2 3.95Å; W199-I210 HydrophobicContact CZ3-CB 4.41Å; W199-I210 HydrophobicContact CZ3-CD1 3.64Å; W199-I210 HydrophobicContact CZ3-CG2 4.06Å; M207-I210 HydrophobicContact CB-CD1 4.35Å; M207-I210 WeakPolarHBondContact O-CB 3.35Å; M207-I210 PolarHBondContact O-N 3.26Å; M207-I210 HydrophobicContact SD-CD1 4.43Å; S208-I210 VanDerWaalsContact C-N 3.27Å; S208-I210 PolarHBondContact O-N 3.31Å; I210-K212 PolarHBondContact O-N 2.72Å; I210-V213 WeakPolarHBondContact O-CA 3.28Å; I210-V213 PolarHBondContact O-N 3.49Å; I210-A214 PolarHBondContact O-N 3.09Å
211	R	93.8	Very high	95.2	Very high	33 Å²	33	67.1 Å²	67.1	13%	0.125	36%	0.364	C	S	.	.	H	α-helix	trans	-49.5	-46.1	174.5	-175.6	175.6	162.1	-90.3	-8	111.9	I196 N197 W199 D200 S208 V213 A214 L215 D304	I196-R211 HydrophobicContact CG2-CG 3.65Å; I196-R211 WeakPolarHBondContact O-CG 3.11Å; N197-R211 PolarHBondContact OD1-NE 2.94Å; W199-R211 HydrophobicContact CB-CB 3.9Å; D200-R211 WeakPolarHBondContact OD1-CD 3.01Å; D200-R211 IonicContact OD1-NE 2.88Å; D200-R211 IonicContact OD2-NE 3.88Å; S208-R211 WeakPolarHBondContact O-CB 3.46Å; S208-R211 PolarHBondContact O-N 3.4Å; R211-V213 VanDerWaalsContact C-N 3.25Å; R211-V213 PolarHBondContact O-N 2.95Å; R211-A214 PolarHBondContact O-N 2.99Å; R211-L215 HydrophobicContact CG-CD1 4.33Å; R211-L215 WeakPolarHBondContact O-CG 3.04Å; R211-L215 PolarHBondContact O-N 2.77Å; R211-D304 IonicContact CZ-OD1 3.17Å; R211-D304 IonicContact CZ-OD2 3.91Å; R211-D304 IonicContact NH2-OD1 2.74Å; R211-D304 PolarHBondContact NH2-OD1 3.33Å; R211-D304 IonicContact NH2-OD2 2.89Å; R211-D304 PolarHBondContact NH2-OD2 3Å
212	K	91.7	Very high	95.2	Very high	146 Å²	146	67.3 Å²	67.3	64%	0.635	36%	0.361	S	S	*	.	H	α-helix	trans	-59.6	-34.2	178.7	-69.8	177.7	-177	-178.7	0	113.2	S208 I210	S208-K212 PolarHBondContact O-N 3.35Å; I210-K212 PolarHBondContact O-N 2.72Å
213	V	92.4	Very high	95.2	Very high	69 Å²	69	67.2 Å²	67.2	42%	0.418	36%	0.361	S	S	.	.	H	α-helix	trans	-77.8	-44.5	176.2	-178	0	0	0	0	110.2	I210 R211 L215 T216 E217	I210-V213 WeakPolarHBondContact O-CA 3.28Å; I210-V213 PolarHBondContact O-N 3.49Å; R211-V213 VanDerWaalsContact C-N 3.25Å; R211-V213 PolarHBondContact O-N 2.95Å; V213-L215 VanDerWaalsContact C-N 3.26Å; V213-L215 PolarHBondContact O-N 3.34Å; V213-T216 PolarHBondContact O-N 3.03Å; V213-T216 PolarHBondContact O-OG1 2.76Å; V213-E217 PolarHBondContact O-N 2.77Å
214	A	92.8	Very high	95.2	Very high	21 Å²	21	61 Å²	61	17%	0.174	34%	0.342	C	S	.	.	H	α-helix	trans	-57.6	-37.8	178.3	0	0	0	0	0	112.4	I196 I210 R211 T216 E217	I196-A214 HydrophobicContact CD1-CB 3.98Å; I210-A214 PolarHBondContact O-N 3.09Å; R211-A214 PolarHBondContact O-N 2.99Å; A214-T216 PolarHBondContact O-N 2.66Å; A214-E217 PolarHBondContact O-N 3.26Å; A214-E217 VanDerWaalsContact O-N 3.15Å
215	L	93.8	Very high	95.2	Very high	17 Å²	17	60 Å²	60	9%	0.089	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.4	174.4	-79.2	172.3	0	0	0	114	I196 R211 V213 E217 D304 Y356	I196-L215 HydrophobicContact CD1-CD2 4.36Å; I196-L215 HydrophobicContact CG1-CD2 4.3Å; I196-L215 HydrophobicContact CG2-CD1 4.31Å; I196-L215 HydrophobicContact CG2-CD2 3.52Å; I196-L215 HydrophobicContact CG2-CG 3.72Å; R211-L215 HydrophobicContact CG-CD1 4.33Å; R211-L215 WeakPolarHBondContact O-CG 3.04Å; R211-L215 PolarHBondContact O-N 2.77Å; V213-L215 VanDerWaalsContact C-N 3.26Å; V213-L215 PolarHBondContact O-N 3.34Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-D304 HydrophobicContact CD1-CB 3.8Å; L215-D304 HydrophobicContact CD2-CB 3.53Å; L215-D304 HydrophobicContact CG-CB 4.29Å; L215-Y356 WeakPolarHBondContact O-CD1 3.47Å; L215-Y356 VanDerWaalsContact O-CE1 3.3Å; L215-Y356 WeakPolarHBondContact O-CE1 3.37Å
216	T	94.4	Very high	95.1	Very high	60 Å²	60	58.6 Å²	58.6	37%	0.368	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.4	178.3	65	0	0	0	0	113.1	V213 A214 Y356 R357	V213-T216 PolarHBondContact O-N 3.03Å; V213-T216 PolarHBondContact O-OG1 2.76Å; A214-T216 PolarHBondContact O-N 2.66Å; T216-Y356 CarbonylContact O-C 3.53Å; T216-Y356 WeakPolarHBondContact O-CA 3.35Å; T216-Y356 WeakPolarHBondContact O-CB 3.36Å; T216-R357 PolarHBondContact O-N 3.38Å
217	E	95.2	Very high	95.1	Very high	67 Å²	67	54.9 Å²	54.9	31%	0.313	30%	0.302	S	S	.	.	S	Bend	trans	-106.6	118.4	177.3	-71.8	179.4	-158	0	0	109.6	V213 A214 L215 L219 R359	V213-E217 PolarHBondContact O-N 2.77Å; A214-E217 PolarHBondContact O-N 3.26Å; A214-E217 VanDerWaalsContact O-N 3.15Å; L215-E217 VanDerWaalsContact C-N 3.33Å; E217-L219 PolarHBondContact O-N 2.87Å; E217-R359 IonicContact OE1-CZ 3.51Å; E217-R359 IonicContact OE1-NE 2.97Å; E217-R359 PolarHBondContact OE1-NE 2.8Å; E217-R359 IonicContact OE1-NH2 2.86Å; E217-R359 PolarHBondContact OE1-NH2 2.55Å
218	P	96.9	Very high	95.1	Very high	16 Å²	16	52.6 Å²	52.6	10%	0.104	29%	0.291	C	S	.	.			trans	-64.2	136.8	175.1	-18.8	32	0	0	0	110.8	T299 V300 F301 I337 Y356 R357 M358	P218-T299 HydrophobicContact CB-CG2 3.48Å; P218-T299 VanDerWaalsContact CB-CG2 3.48Å; P218-V300 CarbonylContact C-O 3.38Å; P218-V300 VanDerWaalsContact CA-O 3.28Å; P218-V300 WeakPolarHBondContact CA-O 3.18Å; P218-F301 HydrophobicContact CB-CD1 3.95Å; P218-F301 HydrophobicContact CB-CE1 3.72Å; P218-F301 HydrophobicContact CB-CZ 4.22Å; P218-F301 HydrophobicContact CG-CD1 3.83Å; P218-F301 HydrophobicContact CG-CE1 3.48Å; P218-F301 VanDerWaalsContact CG-CE1 3.48Å; P218-F301 HydrophobicContact CG-CZ 4.32Å; P218-I337 HydrophobicContact CG-CD1 4.49Å; P218-Y356 HydrophobicContact CG-CG 4.41Å; P218-R357 WeakPolarHBondContact CD-O 3.41Å; P218-M358 HydrophobicContact CB-CE 3.98Å; P218-M358 HydrophobicContact CG-CB 4.47Å; P218-M358 HydrophobicContact CG-CE 4.3Å
219	L	96.1	Very high	95.3	Very high	36 Å²	36	51 Å²	51	19%	0.188	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	137.5	175.6	-75.3	77	0	0	0	109.8	Y191 K195 I196 E217 T299 V300 Y302	Y191-L219 HydrophobicContact CE1-CD2 4.26Å; K195-L219 HydrophobicContact CB-CD2 4.09Å; K195-L219 HydrophobicContact CG-CD2 4.06Å; I196-L219 HydrophobicContact CD1-CD1 4.45Å; E217-L219 PolarHBondContact O-N 2.87Å; L219-T299 CarbonylContact O-C 3.46Å; L219-T299 WeakPolarHBondContact O-CA 3.49Å; L219-V300 HydrophobicContact CB-CB 4.35Å; L219-V300 PolarHBondContact N-O 3.4Å; L219-V300 PolarHBondContact O-N 2.87Å; L219-Y302 HydrophobicContact CD1-CD2 3.95Å; L219-Y302 HydrophobicContact CD1-CE2 3.68Å; L219-Y302 HydrophobicContact CD2-CE2 4.14Å; L219-Y302 HydrophobicContact CG-CE2 4.49Å
220	V	96.9	Very high	95.5	Very high	42 Å²	42	46.7 Å²	46.7	26%	0.255	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	101.7	170.2	179.3	0	0	0	0	108.9	Y149 W296 K297 Q298 M358	Y149-V220 HydrophobicContact CD1-CB 4.41Å; Y149-V220 HydrophobicContact CD1-CG1 3.49Å; Y149-V220 VanDerWaalsContact CD1-CG1 3.49Å; Y149-V220 HydrophobicContact CD1-CG2 4.1Å; Y149-V220 HydrophobicContact CD2-CG2 4.25Å; Y149-V220 HydrophobicContact CE1-CG1 3.59Å; Y149-V220 HydrophobicContact CG-CG1 4.12Å; Y149-V220 HydrophobicContact CG-CG2 3.86Å; V220-W296 WeakPolarHBondContact CG1-O 3.46Å; V220-K297 HydrophobicContact CG1-CB 4.29Å; V220-K297 HydrophobicContact CG1-CD 4.4Å; V220-Q298 WeakPolarHBondContact CA-O 3.13Å; V220-M358 HydrophobicContact CG2-CE 4.33Å
221	D	96.1	Very high	95.7	Very high	41 Å²	41	46.1 Å²	46.1	22%	0.219	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	168.7	178.6	-134.9	-17.2	0	0	0	114.8	Y191 K297 Q298	Y191-D221 HydrophobicContact CE1-CB 4.45Å; Y191-D221 PolarHBondContact OH-OD2 3.33Å; D221-K297 VanDerWaalsContact CA-CD 3.49Å; D221-K297 WeakPolarHBondContact O-CB 3.48Å; D221-K297 IonicContact OD1-NZ 3.41Å; D221-K297 PolarHBondContact OD1-NZ 2.91Å; D221-Q298 PolarHBondContact N-O 3.25Å; D221-Q298 PolarHBondContact O-N 3.18Å; D221-Q298 PolarHBondContact O-OE1 2.92Å
222	V	95.7	Very high	95.9	Very high	81 Å²	81	46.4 Å²	46.4	49%	0.491	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-80.6	122.3	176.8	-176.2	0	0	0	0	109	Y293 K297	V222-Y293 HydrophobicContact CG2-CD2 3.79Å; V222-Y293 HydrophobicContact CG2-CE2 3.84Å; V222-K297 HydrophobicContact CG2-CB 4.15Å; V222-K297 HydrophobicContact CG2-CD 3.85Å; V222-K297 HydrophobicContact CG2-CG 3.84Å
223	V	96.3	Very high	96.2	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.036	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-95.4	130.8	176.5	172.6	0	0	0	0	109.2	I186 Q227 V268 P288 Q298 V300	I186-V223 HydrophobicContact CD1-CG1 4.19Å; I186-V223 HydrophobicContact CD1-CG2 4.25Å; I186-V223 HydrophobicContact CG2-CG1 3.87Å; V223-Q227 HydrophobicContact CG1-CB 4.35Å; V223-V268 HydrophobicContact CG2-CG1 4.18Å; V223-V268 HydrophobicContact CG2-CG2 4.03Å; V223-P288 HydrophobicContact CB-CB 4.13Å; V223-P288 HydrophobicContact CG1-CB 4.09Å; V223-Q298 HydrophobicContact CG2-CB 4.22Å; V223-V300 HydrophobicContact CG2-CG2 3.87Å
224	D	95.5	Very high	96.5	Very high	77 Å²	77	40.8 Å²	40.8	41%	0.412	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-69.4	127.4	173.3	-176.6	-33.2	0	0	0	108.8	N226 Q227	D224-N226 PolarHBondContact O-N 2.73Å; D224-N226 VanDerWaalsContact OD1-CB 3.3Å; D224-N226 WeakPolarHBondContact OD1-CB 3.48Å; D224-N226 PolarHBondContact OD1-N 2.92Å; D224-N226 PolarHBondContact OD1-ND2 2.76Å; D224-Q227 HydrophobicContact CB-CG 4.09Å; D224-Q227 WeakPolarHBondContact O-CB 3.35Å; D224-Q227 PolarHBondContact O-N 2.74Å
225	P	96.1	Very high	96.8	Very high	40 Å²	40	40.2 Å²	40.2	26%	0.26	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-54.8	-25.1	177.8	9.8	-20.9	0	0	0	114.5	Q227 V228 P288	P225-Q227 PolarHBondContact O-N 3.21Å; P225-V228 PolarHBondContact O-N 2.87Å; P225-P288 VanDerWaalsContact CB-O 3.24Å; P225-P288 WeakPolarHBondContact CB-O 3.38Å; P225-P288 WeakPolarHBondContact CD-O 3.21Å; P225-P288 WeakPolarHBondContact CG-O 3.41Å
226	N	95.8	Very high	97	Very high	112 Å²	112	40.9 Å²	40.9	60%	0.599	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-68.5	-18.6	174.8	-61	-57.5	0	0	0	113	D224 V228 R260	D224-N226 PolarHBondContact O-N 2.73Å; D224-N226 VanDerWaalsContact OD1-CB 3.3Å; D224-N226 WeakPolarHBondContact OD1-CB 3.48Å; D224-N226 PolarHBondContact OD1-N 2.92Å; D224-N226 PolarHBondContact OD1-ND2 2.76Å; N226-V228 VanDerWaalsContact C-N 3.33Å; N226-R260 PolarHBondContact O-NH1 3.37Å; N226-R260 PolarHBondContact O-NH2 3.15Å
227	Q	97.1	Very high	97.2	Very high	39 Å²	39	42.4 Å²	42.4	18%	0.182	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-77.3	-18.8	175.2	-66.8	-179.3	-78	0	0	112.6	I186 E187 D188 V223 D224 P225 V229	I186-Q227 CarbonylContact C-O 3.54Å; I186-Q227 VanDerWaalsContact CA-O 3.25Å; I186-Q227 WeakPolarHBondContact CA-O 3.37Å; I186-Q227 HydrophobicContact CB-CB 4.24Å; E187-Q227 PolarHBondContact N-O 2.9Å; E187-Q227 VanDerWaalsContact O-CB 3.25Å; E187-Q227 WeakPolarHBondContact O-CB 3.46Å; E187-Q227 WeakPolarHBondContact O-CG 3.25Å; E187-Q227 PolarHBondContact O-NE2 2.79Å; D188-Q227 PolarHBondContact OD1-NE2 3.26Å; V223-Q227 HydrophobicContact CG1-CB 4.35Å; D224-Q227 HydrophobicContact CB-CG 4.09Å; D224-Q227 WeakPolarHBondContact O-CB 3.35Å; D224-Q227 PolarHBondContact O-N 2.74Å; P225-Q227 PolarHBondContact O-N 3.21Å; Q227-V229 WeakPolarHBondContact O-CG2 3.43Å; Q227-V229 PolarHBondContact O-N 2.82Å
228	V	97.7	Very high	97.4	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.055	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-69.6	113.9	-177.2	-176	0	0	0	0	111	C184 I186 P225 N226 T230 P288	C184-V228 HydrophobicContact CB-CG1 4.25Å; I186-V228 HydrophobicContact CG2-CG2 4.24Å; P225-V228 PolarHBondContact O-N 2.87Å; N226-V228 VanDerWaalsContact C-N 3.33Å; V228-T230 WeakPolarHBondContact CG1-O 3.41Å; V228-P288 HydrophobicContact CG2-CB 4.12Å; V228-P288 HydrophobicContact CG2-CG 3.63Å
229	V	98.5	Very high	97.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.			trans	-91.5	-26.3	-175.9	-176.6	0	0	0	0	112	A185 E187 Q227 K259 R260 D262 I264 V313	A185-V229 PolarHBondContact O-N 2.8Å; E187-V229 HydrophobicContact CB-CG2 3.96Å; Q227-V229 WeakPolarHBondContact O-CG2 3.43Å; Q227-V229 PolarHBondContact O-N 2.82Å; V229-K259 VanDerWaalsContact O-CB 3.29Å; V229-K259 WeakPolarHBondContact O-CB 3.41Å; V229-K259 PolarHBondContact O-N 3.14Å; V229-R260 HydrophobicContact CG1-CG 4.34Å; V229-D262 HydrophobicContact CG1-CB 3.84Å; V229-D262 HydrophobicContact CG2-CB 3.99Å; V229-I264 HydrophobicContact CB-CD1 4.11Å; V229-I264 HydrophobicContact CB-CG1 3.93Å; V229-I264 HydrophobicContact CG1-CD1 3.92Å; V229-I264 HydrophobicContact CG1-CG1 3.97Å; V229-I264 HydrophobicContact CG2-CG1 4.05Å; V229-V313 HydrophobicContact CG1-CG2 3.99Å
230	T	98.7	Very high	97.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-114.3	173.5	-172.9	66	0	0	0	0	113.1	A185 V228 L256 T257 K259 I264	A185-T230 HydrophobicContact CB-CG2 3.69Å; A185-T230 PolarHBondContact N-OG1 2.89Å; V228-T230 WeakPolarHBondContact CG1-O 3.41Å; T230-L256 HydrophobicContact CG2-CB 3.9Å; T230-T257 VanDerWaalsContact CA-O 3.29Å; T230-T257 WeakPolarHBondContact CA-O 3.43Å; T230-K259 VanDerWaalsContact C-CE 3.45Å; T230-K259 WeakPolarHBondContact O-CD 3.37Å; T230-K259 WeakPolarHBondContact O-CE 3.44Å; T230-K259 PolarHBondContact O-NZ 3.32Å; T230-I264 HydrophobicContact CG2-CD1 4.03Å
231	N	98.2	Very high	97.7	Very high	56 Å²	56	41.9 Å²	41.9	30%	0.299	22%	0.223	S	C	.	.			trans	-65.1	177.6	155.1	69.6	-37.2	0	0	0	110.9	L256 T257	N231-L256 WeakPolarHBondContact O-CD2 3.37Å; N231-L256 WeakPolarHBondContact OD1-CA 3.33Å; N231-T257 PolarHBondContact N-O 3.18Å; N231-T257 VanDerWaalsContact N-O 3.16Å; N231-T257 PolarHBondContact OD1-N 3.49Å; N231-T257 PolarHBondContact OD1-O 3.27Å
232	C	98.1	Very high	97.8	Very high	40 Å²	40	44.3 Å²	44.3	27%	0.27	24%	0.239	S	C	.	.			trans	-104.4	144.6	173.1	-49.2	0	0	0	0	109.6	Y182 V183 C184 F270	Y182-C232 HydrophobicContact CD1-CB 4.3Å; V183-C232 CarbonylContact O-C 3.53Å; V183-C232 VanDerWaalsContact O-CA 3.3Å; V183-C232 WeakPolarHBondContact O-CA 3.35Å; C184-C232 HydrophobicContact CB-CB 4.47Å; C232-F270 HydrophobicContact CB-CE1 4.29Å; C232-F270 HydrophobicContact CB-CZ 3.95Å
233	C	98.7	Very high	97.9	Very high	26 Å²	26	40.7 Å²	40.7	18%	0.176	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.7	174.6	-172.1	0	0	0	0	109.8	Y182 V183 F254 L256	Y182-C233 CarbonylContact C-O 3.55Å; Y182-C233 VanDerWaalsContact CA-O 3.23Å; Y182-C233 WeakPolarHBondContact CA-O 3.41Å; V183-C233 HydrophobicContact CG1-CB 4.13Å; V183-C233 PolarHBondContact N-O 3.44Å; V183-C233 PolarHBondContact O-N 3.47Å; C233-F254 HydrophobicContact CB-CB 3.97Å; C233-L256 HydrophobicContact CB-CD2 3.74Å
234	L	98.8	Very high	98	Very high	71 Å²	71	43.1 Å²	43.1	37%	0.372	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.8	171.5	179.5	71.6	0	0	0	108.6	T180 Y182 K236	T180-L234 HydrophobicContact CG2-CD1 3.82Å; Y182-L234 HydrophobicContact CD1-CB 4.14Å; Y182-L234 HydrophobicContact CD1-CD1 4.45Å; Y182-L234 HydrophobicContact CE1-CB 3.82Å; Y182-L234 HydrophobicContact CE1-CD1 4.01Å; Y182-L234 HydrophobicContact CE2-CD1 4.15Å; L234-K236 WeakPolarHBondContact CD1-O 3.38Å
235	V	98.6	Very high	98.1	Very high	8 Å²	8	42.4 Å²	42.4	5%	0.048	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	-22.1	176.5	-67.4	0	0	0	0	112.7	L181 V183 A252 F254 M323	L181-V235 HydrophobicContact CB-CG2 4.03Å; L181-V235 HydrophobicContact CD2-CG2 3.81Å; L181-V235 HydrophobicContact CG-CG2 3.74Å; L181-V235 VanDerWaalsContact O-CG2 3.23Å; L181-V235 WeakPolarHBondContact O-CG2 3.12Å; L181-V235 PolarHBondContact O-N 2.84Å; V183-V235 HydrophobicContact CB-CG1 4.24Å; V183-V235 HydrophobicContact CG1-CG1 3.63Å; V235-A252 HydrophobicContact CB-CB 4.13Å; V235-A252 WeakPolarHBondContact O-CB 3.35Å; V235-F254 HydrophobicContact CG1-CB 4.07Å; V235-M323 HydrophobicContact CG2-SD 4.05Å
236	K	98.6	Very high	98.2	Very high	32 Å²	32	45.3 Å²	45.3	14%	0.139	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	136.9	174	-170.2	58.9	168.6	179	0	111.1	F152 T180 L181 L234 V238 E247 F250	F152-K236 HydrophobicContact CE2-CB 4.34Å; F152-K236 HydrophobicContact CE2-CG 4.03Å; F152-K236 HydrophobicContact CZ-CB 4.4Å; F152-K236 HydrophobicContact CZ-CG 3.71Å; T180-K236 CarbonylContact C-O 3.58Å; T180-K236 VanDerWaalsContact CA-O 3.3Å; T180-K236 WeakPolarHBondContact CA-O 3.25Å; L181-K236 HydrophobicContact CB-CB 4.03Å; L181-K236 PolarHBondContact N-O 3.2Å; L181-K236 PolarHBondContact O-N 2.7Å; L234-K236 WeakPolarHBondContact CD1-O 3.38Å; K236-V238 HydrophobicContact CG-CG2 4.28Å; K236-E247 WeakPolarHBondContact CE-O 3.28Å; K236-E247 PolarHBondContact NZ-O 3.44Å; K236-F250 HydrophobicContact CB-CE1 4.17Å; K236-F250 HydrophobicContact CB-CE2 3.86Å; K236-F250 HydrophobicContact CB-CZ 3.66Å; K236-F250 HydrophobicContact CD-CD1 3.92Å; K236-F250 HydrophobicContact CD-CD2 4.08Å; K236-F250 HydrophobicContact CD-CE1 4.08Å; K236-F250 HydrophobicContact CD-CE2 4.24Å; K236-F250 HydrophobicContact CD-CG 3.92Å; K236-F250 HydrophobicContact CD-CZ 4.25Å; K236-F250 HydrophobicContact CG-CD1 4.23Å; K236-F250 HydrophobicContact CG-CE1 3.89Å; K236-F250 HydrophobicContact CG-CE2 4.28Å; K236-F250 HydrophobicContact CG-CZ 3.92Å
237	E	98.6	Very high	98.3	Very high	91 Å²	91	44 Å²	44	43%	0.425	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.9	165.7	-177.8	166	-165.4	0	0	108.5	R178 T180	R178-E237 IonicContact CZ-OE1 3.69Å; R178-E237 IonicContact NE-OE1 3.69Å; R178-E237 PolarHBondContact NE-OE1 3.38Å; R178-E237 IonicContact NH2-OE1 3.96Å; R178-E237 PolarHBondContact NH2-OE1 3.35Å; T180-E237 HydrophobicContact CG2-CB 4.16Å; T180-E237 HydrophobicContact CG2-CG 3.92Å
238	V	98.7	Very high	98.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	113.7	179.7	179.9	0	0	0	0	107.2	F152 L157 R178 A179 K236 M240 I243	F152-V238 HydrophobicContact CE1-CG2 3.87Å; F152-V238 HydrophobicContact CZ-CG2 3.79Å; L157-V238 HydrophobicContact CD2-CG1 4.23Å; R178-V238 VanDerWaalsContact CA-O 3.32Å; R178-V238 WeakPolarHBondContact CA-O 3.29Å; A179-V238 HydrophobicContact CB-CB 4.18Å; A179-V238 PolarHBondContact N-O 3.43Å; A179-V238 PolarHBondContact O-N 2.92Å; K236-V238 HydrophobicContact CG-CG2 4.28Å; V238-M240 HydrophobicContact CG1-SD 3.76Å; V238-I243 HydrophobicContact CG1-CB 4.16Å; V238-I243 HydrophobicContact CG1-CG1 4.19Å; V238-I243 HydrophobicContact CG1-CG2 3.9Å
239	D	98.6	Very high	98.3	Very high	70 Å²	70	45.9 Å²	45.9	37%	0.374	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111.4	163.2	179.7	-17.1	0	0	0	107.8	Y241 T242 I243	D239-Y241 PolarHBondContact O-N 3.21Å; D239-Y241 VanDerWaalsContact O-N 3.15Å; D239-Y241 WeakPolarHBondContact OD1-CB 3.23Å; D239-Y241 WeakPolarHBondContact OD1-CD2 3.3Å; D239-Y241 PolarHBondContact OD1-N 2.78Å; D239-T242 PolarHBondContact O-N 2.98Å; D239-I243 VanDerWaalsContact O-CB 3.26Å; D239-I243 WeakPolarHBondContact O-CB 3.39Å; D239-I243 VanDerWaalsContact O-CG2 3.32Å; D239-I243 WeakPolarHBondContact O-CG2 3.2Å; D239-I243 PolarHBondContact O-N 3.12Å
240	M	98.5	Very high	98.3	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.6	-175.9	-67.5	-61.3	-59.9	0	0	113.1	W146 L157 V160 R164 I174 D177 V238	W146-M240 HydrophobicContact CH2-SD 4.43Å; W146-M240 HydrophobicContact CZ2-CE 4.49Å; W146-M240 HydrophobicContact CZ2-SD 3.65Å; L157-M240 HydrophobicContact CD1-CE 3.4Å; L157-M240 VanDerWaalsContact CD1-CE 3.4Å; L157-M240 HydrophobicContact CD1-SD 3.46Å; L157-M240 WeakPolarHBondContact CD1-SD 3.45Å; V160-M240 HydrophobicContact CB-CE 4.11Å; V160-M240 HydrophobicContact CG1-CE 3.47Å; V160-M240 VanDerWaalsContact CG1-CE 3.47Å; R164-M240 WeakPolarHBondContact CD-O 3.32Å; R164-M240 PolarHBondContact NH1-O 2.86Å; I174-M240 HydrophobicContact CB-CB 4.3Å; I174-M240 HydrophobicContact CD1-CB 3.9Å; I174-M240 VanDerWaalsContact CD1-O 3.32Å; I174-M240 WeakPolarHBondContact CD1-O 3.32Å; I174-M240 HydrophobicContact CG2-CB 4.02Å; I174-M240 HydrophobicContact CG2-CE 4.39Å; I174-M240 HydrophobicContact CG2-CG 4.48Å; D177-M240 VanDerWaalsContact C-CG 3.5Å; D177-M240 VanDerWaalsContact O-CB 3.27Å; D177-M240 WeakPolarHBondContact O-CB 3.23Å; D177-M240 VanDerWaalsContact O-CG 3.28Å; D177-M240 WeakPolarHBondContact O-CG 3.26Å; D177-M240 PolarHBondContact O-N 2.77Å; V238-M240 HydrophobicContact CG1-SD 3.76Å
241	Y	98.4	Very high	98.2	Very high	80 Å²	80	50.9 Å²	50.9	31%	0.314	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-28.4	178.4	-63.2	-73.9	0	0	0	112.9	G172 I174 D177 D239 S277	G172-Y241 WeakPolarHBondContact O-CE1 3.24Å; I174-Y241 HydrophobicContact CB-CE1 4.32Å; I174-Y241 HydrophobicContact CD1-CD1 3.8Å; I174-Y241 HydrophobicContact CD1-CE1 4.02Å; I174-Y241 HydrophobicContact CD1-CG 4.39Å; I174-Y241 HydrophobicContact CG1-CD1 4.12Å; I174-Y241 HydrophobicContact CG1-CE1 3.8Å; I174-Y241 PolarHBondContact N-OH 2.86Å; D177-Y241 HydrophobicContact CB-CD2 4.27Å; D177-Y241 HydrophobicContact CB-CE2 3.46Å; D177-Y241 VanDerWaalsContact CB-CE2 3.46Å; D239-Y241 PolarHBondContact O-N 3.21Å; D239-Y241 VanDerWaalsContact O-N 3.15Å; D239-Y241 WeakPolarHBondContact OD1-CB 3.23Å; D239-Y241 WeakPolarHBondContact OD1-CD2 3.3Å; D239-Y241 PolarHBondContact OD1-N 2.78Å; Y241-S277 PolarHBondContact OH-OG 2.94Å
242	T	98.3	Very high	98.3	Very high	91 Å²	91	48.8 Å²	48.8	56%	0.558	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-23.1	-171	64.3	0	0	0	0	114.4	D239 T244	D239-T242 PolarHBondContact O-N 2.98Å; T242-T244 PolarHBondContact O-N 2.93Å
243	I	98.5	Very high	98.3	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.026	29%	0.294	C	S	.	.			trans	-57	138.4	-175.7	-166.5	69.5	0	0	0	111.4	I161 R164 V238 D239 E247 L248	I161-I243 HydrophobicContact CD1-CG2 4Å; I161-I243 HydrophobicContact CG1-CG2 4.11Å; R164-I243 PolarHBondContact NH1-O 2.56Å; R164-I243 PolarHBondContact NH2-O 3.47Å; R164-I243 VanDerWaalsContact NH2-O 3.07Å; V238-I243 HydrophobicContact CG1-CB 4.16Å; V238-I243 HydrophobicContact CG1-CG1 4.19Å; V238-I243 HydrophobicContact CG1-CG2 3.9Å; D239-I243 VanDerWaalsContact O-CB 3.26Å; D239-I243 WeakPolarHBondContact O-CB 3.39Å; D239-I243 VanDerWaalsContact O-CG2 3.32Å; D239-I243 WeakPolarHBondContact O-CG2 3.2Å; D239-I243 PolarHBondContact O-N 3.12Å; I243-E247 HydrophobicContact CD1-CB 3.59Å; I243-E247 HydrophobicContact CG1-CB 4.46Å; I243-L248 HydrophobicContact CD1-CD2 4.32Å; I243-L248 HydrophobicContact CG1-CD2 3.75Å
244	T	98.4	Very high	98.3	Very high	57 Å²	57	50.6 Å²	50.6	35%	0.35	29%	0.286	S	S	.	.			trans	-111.8	157.5	173.9	66.8	0	0	0	0	111.7	T242 E247	T242-T244 PolarHBondContact O-N 2.93Å; T244-E247 WeakPolarHBondContact CB-OE2 3.4Å; T244-E247 WeakPolarHBondContact CG2-OE2 3.48Å; T244-E247 PolarHBondContact N-OE2 3.47Å; T244-E247 WeakPolarHBondContact O-CB 3.47Å; T244-E247 PolarHBondContact O-N 2.91Å; T244-E247 VanDerWaalsContact O-N 3.07Å; T244-E247 WeakPolarHBondContact OG1-CG 3.49Å; T244-E247 PolarHBondContact OG1-OE2 3.23Å
245	V	97.1	Very high	98.3	Very high	62 Å²	62	50 Å²	50	38%	0.376	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-55.4	-43.5	179.3	175.9	0	0	0	0	112.8	N158 I161 E247 L248	N158-V245 HydrophobicContact CB-CG2 4.36Å; I161-V245 HydrophobicContact CB-CG2 4.46Å; I161-V245 HydrophobicContact CD1-CG2 4.08Å; I161-V245 HydrophobicContact CG2-CG2 4.12Å; V245-E247 VanDerWaalsContact C-N 3.25Å; V245-E247 PolarHBondContact O-N 3.44Å; V245-L248 WeakPolarHBondContact O-CB 3.48Å; V245-L248 WeakPolarHBondContact O-CG 3.24Å; V245-L248 PolarHBondContact O-N 2.93Å; V245-L248 VanDerWaalsContact O-N 3.13Å
246	P	97.5	Very high	98.3	Very high	102 Å²	102	49.6 Å²	49.6	66%	0.662	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-59.2	-32.6	176.3	-26.5	36.7	0	0	0	114.2	L248 T249	P246-L248 PolarHBondContact O-N 3.43Å; P246-T249 PolarHBondContact O-N 3.12Å
247	E	97.8	Very high	98.3	Very high	85 Å²	85	50.2 Å²	50.2	40%	0.397	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-72.9	-10.1	179.7	-68	171.4	87.6	0	0	113.6	K236 I243 T244 V245	K236-E247 WeakPolarHBondContact CE-O 3.28Å; K236-E247 PolarHBondContact NZ-O 3.44Å; I243-E247 HydrophobicContact CD1-CB 3.59Å; I243-E247 HydrophobicContact CG1-CB 4.46Å; T244-E247 WeakPolarHBondContact CB-OE2 3.4Å; T244-E247 WeakPolarHBondContact CG2-OE2 3.48Å; T244-E247 PolarHBondContact N-OE2 3.47Å; T244-E247 WeakPolarHBondContact O-CB 3.47Å; T244-E247 PolarHBondContact O-N 2.91Å; T244-E247 VanDerWaalsContact O-N 3.07Å; T244-E247 WeakPolarHBondContact OG1-CG 3.49Å; T244-E247 PolarHBondContact OG1-OE2 3.23Å; V245-E247 VanDerWaalsContact C-N 3.25Å; V245-E247 PolarHBondContact O-N 3.44Å
248	L	96.9	Very high	98.3	Very high	13 Å²	13	46 Å²	46	7%	0.068	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-75.3	-17	172.5	-54.1	-176.7	0	0	0	112.2	F152 L157 N158 I161 I243 V245 P246 F250	F152-L248 HydrophobicContact CE1-CD2 4.25Å; L157-L248 HydrophobicContact CB-CD1 4.34Å; L157-L248 HydrophobicContact CD2-CD1 4Å; L157-L248 HydrophobicContact CD2-CD2 3.48Å; L157-L248 VanDerWaalsContact CD2-CD2 3.48Å; L157-L248 HydrophobicContact CD2-CG 4.4Å; L157-L248 HydrophobicContact CG-CD1 4.05Å; L157-L248 HydrophobicContact CG-CD2 4.32Å; N158-L248 WeakPolarHBondContact OD1-CD1 3.36Å; I161-L248 HydrophobicContact CD1-CD1 4.02Å; I243-L248 HydrophobicContact CD1-CD2 4.32Å; I243-L248 HydrophobicContact CG1-CD2 3.75Å; V245-L248 WeakPolarHBondContact O-CB 3.48Å; V245-L248 WeakPolarHBondContact O-CG 3.24Å; V245-L248 PolarHBondContact O-N 2.93Å; V245-L248 VanDerWaalsContact O-N 3.13Å; P246-L248 PolarHBondContact O-N 3.43Å; L248-F250 WeakPolarHBondContact O-CD1 3.49Å
249	T	98	Very high	98.3	Very high	73 Å²	73	50.8 Å²	50.8	45%	0.448	29%	0.291	S	S	.	.	S	Bend	trans	-90.3	114.2	163.7	-64.1	0	0	0	0	108.6	P246 I325 K326 P327	P246-T249 PolarHBondContact O-N 3.12Å; T249-I325 WeakPolarHBondContact CA-O 3.39Å; T249-K326 HydrophobicContact CG2-CB 3.68Å; T249-P327 VanDerWaalsContact OG1-CD 3.3Å; T249-P327 WeakPolarHBondContact OG1-CD 3.33Å
250	F	98.4	Very high	98.3	Very high	22 Å²	22	51.7 Å²	51.7	10%	0.096	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	165.9	-172.7	70.2	-86.3	0	0	0	113	F152 L181 K236 L248 A252 S324 I325	F152-F250 HydrophobicContact CD2-CE1 4.19Å; F152-F250 AromaticContact CE2-CE1 3.72Å; F152-F250 HydrophobicContact CE2-CE1 3.72Å; F152-F250 HydrophobicContact CE2-CZ 4.11Å; F152-F250 HydrophobicContact CZ-CE1 4.38Å; L181-F250 HydrophobicContact CD2-CZ 4.28Å; K236-F250 HydrophobicContact CB-CE1 4.17Å; K236-F250 HydrophobicContact CB-CE2 3.86Å; K236-F250 HydrophobicContact CB-CZ 3.66Å; K236-F250 HydrophobicContact CD-CD1 3.92Å; K236-F250 HydrophobicContact CD-CD2 4.08Å; K236-F250 HydrophobicContact CD-CE1 4.08Å; K236-F250 HydrophobicContact CD-CE2 4.24Å; K236-F250 HydrophobicContact CD-CG 3.92Å; K236-F250 HydrophobicContact CD-CZ 4.25Å; K236-F250 HydrophobicContact CG-CD1 4.23Å; K236-F250 HydrophobicContact CG-CE1 3.89Å; K236-F250 HydrophobicContact CG-CE2 4.28Å; K236-F250 HydrophobicContact CG-CZ 3.92Å; L248-F250 WeakPolarHBondContact O-CD1 3.49Å; F250-A252 HydrophobicContact CD2-CB 4.13Å; F250-A252 HydrophobicContact CE2-CB 4.25Å; F250-S324 CarbonylContact O-C 3.44Å; F250-S324 VanDerWaalsContact O-CA 3.22Å; F250-S324 WeakPolarHBondContact O-CA 3.25Å; F250-I325 HydrophobicContact CD1-CB 4.4Å; F250-I325 HydrophobicContact CE1-CB 3.83Å; F250-I325 HydrophobicContact CE1-CD1 4.2Å; F250-I325 HydrophobicContact CE1-CG1 4.25Å; F250-I325 HydrophobicContact CZ-CB 4.05Å; F250-I325 HydrophobicContact CZ-CD1 3.77Å; F250-I325 HydrophobicContact CZ-CG1 3.94Å; F250-I325 PolarHBondContact N-O 3.22Å; F250-I325 PolarHBondContact O-N 2.89Å
251	S	98.6	Very high	98.3	Very high	83 Å²	83	56.6 Å²	56.6	58%	0.58	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.4	166.6	-61.1	0	0	0	0	107.8	M323 S324	S251-M323 CarbonylContact C-O 3.56Å; S251-M323 WeakPolarHBondContact CA-O 3.4Å; S251-S324 VanDerWaalsContact CB-OG 3.31Å; S251-S324 WeakPolarHBondContact CB-OG 3.28Å; S251-S324 VanDerWaalsContact OG-CB 3.3Å; S251-S324 WeakPolarHBondContact OG-CB 3.42Å; S251-S324 PolarHBondContact OG-OG 2.86Å
252	A	98.6	Very high	98.3	Very high	12 Å²	12	54.7 Å²	54.7	10%	0.099	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.5	-176.6	0	0	0	0	0	110.7	V235 F250 V322 M323	V235-A252 HydrophobicContact CB-CB 4.13Å; V235-A252 WeakPolarHBondContact O-CB 3.35Å; F250-A252 HydrophobicContact CD2-CB 4.13Å; F250-A252 HydrophobicContact CE2-CB 4.25Å; A252-V322 WeakPolarHBondContact O-CA 3.12Å; A252-M323 PolarHBondContact N-O 2.83Å; A252-M323 PolarHBondContact O-N 2.72Å
253	P	98.7	Very high	98.3	Very high	101 Å²	101	56.3 Å²	56.3	66%	0.656	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	150.4	172.2	31.7	-34.3	0	0	0	110.1	G321	P253-G321 CarbonylContact C-O 3.57Å; P253-G321 VanDerWaalsContact CA-O 3.26Å; P253-G321 WeakPolarHBondContact CA-O 3.5Å
254	F	98.8	Very high	98.3	Very high	3 Å²	3	56 Å²	56	1%	0.013	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150.7	170.1	63.5	-97.2	0	0	0	111.2	V183 C233 V235 L256 L267 N320 G321 M323 I339	V183-F254 HydrophobicContact CG1-CB 3.86Å; V183-F254 HydrophobicContact CG1-CD1 4.35Å; V183-F254 HydrophobicContact CG1-CD2 4.3Å; V183-F254 HydrophobicContact CG1-CG 3.92Å; C233-F254 HydrophobicContact CB-CB 3.97Å; V235-F254 HydrophobicContact CG1-CB 4.07Å; F254-L256 HydrophobicContact CD2-CD1 4.27Å; F254-L256 HydrophobicContact CD2-CG 4.02Å; F254-L256 HydrophobicContact CE2-CD1 4.36Å; F254-L267 HydrophobicContact CE2-CD1 4.44Å; F254-L267 HydrophobicContact CZ-CD1 3.99Å; F254-N320 WeakPolarHBondContact O-CA 3.37Å; F254-G321 PolarHBondContact N-O 2.81Å; F254-G321 PolarHBondContact O-N 3.06Å; F254-M323 HydrophobicContact CD1-CB 4.16Å; F254-M323 HydrophobicContact CE1-CB 4.21Å; F254-I339 HydrophobicContact CE1-CG2 3.95Å; F254-I339 HydrophobicContact CZ-CG2 3.99Å
255	T	98.8	Very high	98.3	Very high	58 Å²	58	53.3 Å²	53.3	36%	0.356	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	121.5	171	-61.1	0	0	0	0	109	Q318 I319 N320	T255-Q318 HydrophobicContact CG2-CB 4.33Å; T255-Q318 HydrophobicContact CG2-CG 4.39Å; T255-I319 CarbonylContact C-O 3.53Å; T255-I319 WeakPolarHBondContact CA-O 3.35Å; T255-N320 WeakPolarHBondContact CB-OD1 3.42Å; T255-N320 VanDerWaalsContact CG2-OD1 3.3Å; T255-N320 WeakPolarHBondContact CG2-OD1 3.38Å; T255-N320 PolarHBondContact OG1-OD1 3.45Å
256	L	98.9	Very high	98.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.1	178.9	-58.1	179	0	0	0	109.5	V183 A185 T230 N231 C233 F254 L267 Q318 I319	V183-L256 HydrophobicContact CG1-CD2 4.31Å; V183-L256 WeakPolarHBondContact O-CD2 3.32Å; A185-L256 HydrophobicContact CB-CD1 4.05Å; T230-L256 HydrophobicContact CG2-CB 3.9Å; N231-L256 WeakPolarHBondContact O-CD2 3.37Å; N231-L256 WeakPolarHBondContact OD1-CA 3.33Å; C233-L256 HydrophobicContact CB-CD2 3.74Å; F254-L256 HydrophobicContact CD2-CD1 4.27Å; F254-L256 HydrophobicContact CD2-CG 4.02Å; F254-L256 HydrophobicContact CE2-CD1 4.36Å; L256-L267 HydrophobicContact CD1-CD2 3.88Å; L256-Q318 CarbonylContact O-C 3.49Å; L256-Q318 VanDerWaalsContact O-CA 3.29Å; L256-Q318 WeakPolarHBondContact O-CA 3.32Å; L256-I319 HydrophobicContact CB-CB 4.36Å; L256-I319 PolarHBondContact N-O 3.36Å; L256-I319 PolarHBondContact O-N 3.02Å
257	T	98.7	Very high	98.4	Very high	46 Å²	46	45.5 Å²	45.5	28%	0.282	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.5	175.1	-56.4	0	0	0	0	110	T230 N231 K259 E317	T230-T257 VanDerWaalsContact CA-O 3.29Å; T230-T257 WeakPolarHBondContact CA-O 3.43Å; N231-T257 PolarHBondContact N-O 3.18Å; N231-T257 VanDerWaalsContact N-O 3.16Å; N231-T257 PolarHBondContact OD1-N 3.49Å; N231-T257 PolarHBondContact OD1-O 3.27Å; T257-K259 PolarHBondContact O-N 3.38Å; T257-E317 WeakPolarHBondContact CA-O 3.48Å
258	C	98.7	Very high	98.4	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.014	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-68.8	123.8	179.6	-61.6	0	0	0	0	111.2	V313 K314 G316 E317	C258-V313 HydrophobicContact CB-CB 4.42Å; C258-V313 HydrophobicContact CB-CG2 4.17Å; C258-K314 WeakPolarHBondContact CB-O 3.49Å; C258-G316 PolarHBondContact O-N 3.07Å; C258-E317 PolarHBondContact N-O 3.13Å
259	K	98.3	Very high	98.5	Very high	101 Å²	101	40.9 Å²	40.9	44%	0.439	22%	0.218	S	C	.	.	S	Bend	trans	-83	-23.6	-177.7	-66.3	170.2	171.1	159.5	0	112.9	V229 T230 T257 K315	V229-K259 VanDerWaalsContact O-CB 3.29Å; V229-K259 WeakPolarHBondContact O-CB 3.41Å; V229-K259 PolarHBondContact O-N 3.14Å; T230-K259 VanDerWaalsContact C-CE 3.45Å; T230-K259 WeakPolarHBondContact O-CD 3.37Å; T230-K259 WeakPolarHBondContact O-CE 3.44Å; T230-K259 PolarHBondContact O-NZ 3.32Å; T257-K259 PolarHBondContact O-N 3.38Å; K259-K315 WeakPolarHBondContact O-CD 3.48Å; K259-K315 WeakPolarHBondContact O-CE 3.37Å; K259-K315 WeakPolarHBondContact O-CG 3.29Å
260	R	98.4	Very high	98.5	Very high	88 Å²	88	38 Å²	38	33%	0.332	20%	0.2	S	C	.	.	S	Bend	trans	-147.9	165.1	-178	65.9	-172.9	-171	-147.8	4.8	110.7	N226 V229 D262	N226-R260 PolarHBondContact O-NH1 3.37Å; N226-R260 PolarHBondContact O-NH2 3.15Å; V229-R260 HydrophobicContact CG1-CG 4.34Å; R260-D262 HydrophobicContact CG-CB 4.22Å; R260-D262 IonicContact CZ-OD2 2.89Å; R260-D262 IonicContact NE-OD2 3.24Å; R260-D262 PolarHBondContact NE-OD2 2.92Å; R260-D262 IonicContact NH2-OD2 3.93Å; R260-D262 PolarHBondContact NH2-OD2 3.3Å
261	N	98.7	Very high	98.5	Very high	105 Å²	105	37.1 Å²	37.1	56%	0.561	20%	0.196	S	C	*	.	S	Bend	trans	-74.3	126.4	168.2	-59.5	4.9	0	0	0	107.4	V313 K314 K315	N261-V313 WeakPolarHBondContact CA-O 3.03Å; N261-K314 WeakPolarHBondContact OD1-CA 3.35Å; N261-K315 WeakPolarHBondContact OD1-CB 3.29Å; N261-K315 PolarHBondContact OD1-N 2.94Å
262	D	98.4	Very high	98.5	Very high	39 Å²	39	34.9 Å²	34.9	21%	0.209	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	-177.3	-177.2	-140.2	-27.8	0	0	0	111.4	V229 R260 V313	V229-D262 HydrophobicContact CG1-CB 3.84Å; V229-D262 HydrophobicContact CG2-CB 3.99Å; R260-D262 HydrophobicContact CG-CB 4.22Å; R260-D262 IonicContact CZ-OD2 2.89Å; R260-D262 IonicContact NE-OD2 3.24Å; R260-D262 PolarHBondContact NE-OD2 2.92Å; R260-D262 IonicContact NH2-OD2 3.93Å; R260-D262 PolarHBondContact NH2-OD2 3.3Å; D262-V313 PolarHBondContact N-O 2.83Å; D262-V313 WeakPolarHBondContact O-CG2 3.47Å; D262-V313 PolarHBondContact O-N 2.95Å
263	Y	98.2	Very high	98.5	Very high	125 Å²	125	34.3 Å²	34.3	49%	0.49	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	148.3	163	-58.1	-82.4	0	0	0	110.8	E187 L311 T312	E187-Y263 WeakPolarHBondContact CA-O 3.3Å; E187-Y263 VanDerWaalsContact CB-O 3.31Å; E187-Y263 WeakPolarHBondContact CB-O 3.45Å; Y263-L311 CarbonylContact C-O 3.53Å; Y263-L311 VanDerWaalsContact CA-O 3.3Å; Y263-L311 WeakPolarHBondContact CA-O 3.42Å; Y263-T312 HydrophobicContact CD1-CG2 4.26Å; Y263-T312 HydrophobicContact CE1-CG2 3.87Å; Y263-T312 WeakPolarHBondContact CE1-OG1 3.27Å
264	I	98.3	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.6	173.4	-72	169.4	0	0	0	108.9	A185 I186 V229 T230 L303 C310 L311 V313 I319	A185-I264 HydrophobicContact CB-CD1 3.83Å; A185-I264 HydrophobicContact CB-CG1 4.22Å; A185-I264 HydrophobicContact CB-CG2 3.75Å; I186-I264 WeakPolarHBondContact O-CA 3.47Å; V229-I264 HydrophobicContact CB-CD1 4.11Å; V229-I264 HydrophobicContact CB-CG1 3.93Å; V229-I264 HydrophobicContact CG1-CD1 3.92Å; V229-I264 HydrophobicContact CG1-CG1 3.97Å; V229-I264 HydrophobicContact CG2-CG1 4.05Å; T230-I264 HydrophobicContact CG2-CD1 4.03Å; I264-L303 HydrophobicContact CG2-CD1 4.21Å; I264-C310 CarbonylContact O-C 3.5Å; I264-C310 VanDerWaalsContact O-CA 3.25Å; I264-C310 WeakPolarHBondContact O-CA 3.41Å; I264-C310 WeakPolarHBondContact O-CB 3.41Å; I264-L311 HydrophobicContact CB-CB 4.26Å; I264-L311 PolarHBondContact N-O 2.87Å; I264-L311 PolarHBondContact O-N 2.88Å; I264-V313 HydrophobicContact CD1-CB 4.49Å; I264-V313 HydrophobicContact CD1-CG1 3.89Å; I264-V313 HydrophobicContact CD1-CG2 3.83Å; I264-V313 HydrophobicContact CG1-CG2 4.21Å; I264-I319 HydrophobicContact CD1-CD1 3.45Å; I264-I319 VanDerWaalsContact CD1-CD1 3.45Å
265	Q	97.8	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.			trans	-102.1	-24.3	178.3	-72.7	74.7	26	0	0	112.7	I186 E187 K192 L303 C310	I186-Q265 PolarHBondContact O-N 3.26Å; E187-Q265 VanDerWaalsContact CA-OE1 3.24Å; K192-Q265 HydrophobicContact CD-CB 4.11Å; K192-Q265 HydrophobicContact CD-CG 4.12Å; Q265-L303 PolarHBondContact O-N 3.25Å; Q265-C310 HydrophobicContact CG-CB 4.01Å
266	A	98.1	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.6	-174.3	0	0	0	0	0	112.8	A185 I186 V300 F301 Y302	A185-A266 WeakPolarHBondContact CA-O 3.31Å; I186-A266 HydrophobicContact CD1-CB 4.22Å; I186-A266 HydrophobicContact CG1-CB 3.87Å; I186-A266 PolarHBondContact N-O 3.2Å; A266-V300 HydrophobicContact CB-CG1 3.55Å; A266-F301 CarbonylContact C-O 3.49Å; A266-F301 WeakPolarHBondContact CA-O 3.3Å; A266-F301 WeakPolarHBondContact CB-O 3.35Å; A266-Y302 HydrophobicContact CB-CD1 3.77Å; A266-Y302 HydrophobicContact CB-CE1 4.16Å; A266-Y302 HydrophobicContact CB-CG 4.46Å
267	L	98.5	Very high	98.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	152.1	159	-59.3	-179.9	0	0	0	109.6	V183 C184 A185 F254 L256 F301 L303 I339 V341	V183-L267 HydrophobicContact CG2-CB 4.06Å; V183-L267 HydrophobicContact CG2-CD1 4.37Å; C184-L267 CarbonylContact O-C 3.55Å; C184-L267 WeakPolarHBondContact O-CA 3.42Å; A185-L267 HydrophobicContact CB-CD2 3.66Å; F254-L267 HydrophobicContact CE2-CD1 4.44Å; F254-L267 HydrophobicContact CZ-CD1 3.99Å; L256-L267 HydrophobicContact CD1-CD2 3.88Å; L267-F301 HydrophobicContact CB-CB 4.41Å; L267-F301 PolarHBondContact N-O 3.29Å; L267-F301 PolarHBondContact O-N 2.93Å; L267-L303 HydrophobicContact CD1-CD2 4.28Å; L267-L303 HydrophobicContact CD2-CD1 4.29Å; L267-L303 HydrophobicContact CG-CD1 4.1Å; L267-L303 HydrophobicContact CG-CD2 4.09Å; L267-L303 HydrophobicContact CG-CG 4.32Å; L267-I339 HydrophobicContact CD1-CD1 4.38Å; L267-I339 HydrophobicContact CD1-CG2 3.74Å; L267-V341 HydrophobicContact CD1-CG2 4.26Å
268	V	98.5	Very high	98.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131	178.5	177.7	0	0	0	0	109	V183 C184 I186 V223 Q298 T299 V300	V183-V268 CarbonylContact C-O 3.56Å; V183-V268 VanDerWaalsContact CA-O 3.29Å; V183-V268 WeakPolarHBondContact CA-O 3.46Å; C184-V268 PolarHBondContact N-O 2.85Å; C184-V268 PolarHBondContact O-N 3.16Å; I186-V268 HydrophobicContact CB-CG2 4.26Å; I186-V268 HydrophobicContact CD1-CG2 3.54Å; I186-V268 HydrophobicContact CG1-CG2 3.74Å; I186-V268 HydrophobicContact CG2-CB 4.32Å; I186-V268 HydrophobicContact CG2-CG2 3.5Å; V223-V268 HydrophobicContact CG2-CG1 4.18Å; V223-V268 HydrophobicContact CG2-CG2 4.03Å; V268-Q298 HydrophobicContact CG1-CB 3.54Å; V268-Q298 HydrophobicContact CG1-CG 4.06Å; V268-T299 CarbonylContact C-O 3.54Å; V268-T299 VanDerWaalsContact CA-O 3.28Å; V268-T299 WeakPolarHBondContact CA-O 3.41Å; V268-V300 HydrophobicContact CG2-CG2 4.26Å
269	T	98.7	Very high	98.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	147	167.1	66	0	0	0	0	111.8	C150 Y182 V183 T299 F301 M323	C150-T269 PolarHBondContact SG-OG1 3.32Å; Y182-T269 WeakPolarHBondContact O-CA 3.36Å; Y182-T269 WeakPolarHBondContact O-CB 3.48Å; V183-T269 HydrophobicContact CB-CG2 4.3Å; V183-T269 HydrophobicContact CG2-CG2 4.22Å; T269-T299 PolarHBondContact N-O 2.9Å; T269-T299 PolarHBondContact O-N 2.79Å; T269-T299 WeakPolarHBondContact OG1-CB 3.11Å; T269-F301 HydrophobicContact CG2-CD2 4.35Å; T269-F301 HydrophobicContact CG2-CE2 3.63Å; T269-F301 HydrophobicContact CG2-CZ 4.39Å; T269-F301 WeakPolarHBondContact OG1-CE2 3.49Å; T269-M323 HydrophobicContact CG2-CE 3.52Å; T269-M323 HydrophobicContact CG2-SD 3.9Å
270	F	98.5	Very high	98.1	Very high	14 Å²	14	42.9 Å²	42.9	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	164.4	174.4	64.5	-90	0	0	0	108.2	Y182 C232 G287 Q298	Y182-F270 VanDerWaalsContact CB-CZ 3.49Å; Y182-F270 HydrophobicContact CD2-CD2 4.46Å; Y182-F270 AromaticContact CD2-CE2 3.94Å; Y182-F270 HydrophobicContact CD2-CE2 3.94Å; Y182-F270 HydrophobicContact CD2-CZ 4.45Å; Y182-F270 AromaticContact CG-CE2 3.97Å; Y182-F270 HydrophobicContact CG-CE2 3.97Å; Y182-F270 HydrophobicContact CG-CZ 4.03Å; Y182-F270 PolarHBondContact N-O 2.58Å; Y182-F270 PolarHBondContact O-N 3.24Å; C232-F270 HydrophobicContact CB-CE1 4.29Å; C232-F270 HydrophobicContact CB-CZ 3.95Å; F270-G287 VanDerWaalsContact CG-CA 3.42Å; F270-Q298 HydrophobicContact CB-CG 4.17Å
271	F	98.6	Very high	98	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.013	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	156.1	-178.6	62.7	-94	0	0	0	113.4	M147 L151 T180 L181 I273 F284 T286 W296	M147-F271 HydrophobicContact CB-CE2 4Å; M147-F271 HydrophobicContact CB-CZ 3.92Å; M147-F271 HydrophobicContact CG-CE2 4.08Å; L151-F271 HydrophobicContact CB-CB 4.05Å; L151-F271 HydrophobicContact CB-CD1 3.89Å; L151-F271 HydrophobicContact CB-CG 4.01Å; L151-F271 HydrophobicContact CD1-CB 4.2Å; L151-F271 HydrophobicContact CD1-CD1 4.36Å; L151-F271 HydrophobicContact CD1-CD2 3.87Å; L151-F271 HydrophobicContact CD1-CE2 4.29Å; L151-F271 HydrophobicContact CD1-CG 3.89Å; L151-F271 HydrophobicContact CD2-CB 4.22Å; L151-F271 HydrophobicContact CG-CB 4.4Å; L151-F271 HydrophobicContact CG-CG 4.44Å; T180-F271 CarbonylContact O-C 3.54Å; T180-F271 WeakPolarHBondContact O-CA 3.39Å; T180-F271 WeakPolarHBondContact O-CB 3.44Å; L181-F271 HydrophobicContact CD1-CB 4.22Å; F271-I273 HydrophobicContact CD2-CD1 3.84Å; F271-I273 HydrophobicContact CD2-CG1 3.79Å; F271-I273 HydrophobicContact CE2-CD1 4.07Å; F271-I273 HydrophobicContact CE2-CG1 3.81Å; F271-F284 HydrophobicContact CE2-CE2 4.36Å; F271-T286 HydrophobicContact CD1-CG2 4.41Å; F271-T286 HydrophobicContact CD2-CG2 4.09Å; F271-T286 HydrophobicContact CE1-CG2 4.02Å; F271-T286 HydrophobicContact CE2-CG2 3.67Å; F271-T286 HydrophobicContact CG-CG2 4.46Å; F271-T286 HydrophobicContact CZ-CG2 3.65Å; F271-T286 PolarHBondContact N-OG1 3.11Å; F271-T286 PolarHBondContact O-N 2.9Å; F271-T286 PolarHBondContact O-OG1 2.86Å; F271-W296 HydrophobicContact CE1-CB 4.03Å; F271-W296 HydrophobicContact CE1-CD2 4.43Å; F271-W296 AromaticContact CE1-CG 3.93Å; F271-W296 HydrophobicContact CE1-CG 3.93Å; F271-W296 HydrophobicContact CE2-CD2 4.39Å; F271-W296 HydrophobicContact CZ-CB 4.02Å; F271-W296 AromaticContact CZ-CD1 3.81Å; F271-W296 AromaticContact CZ-CD2 3.58Å; F271-W296 HydrophobicContact CZ-CD2 3.58Å; F271-W296 AromaticContact CZ-CE2 3.86Å; F271-W296 HydrophobicContact CZ-CE3 4.09Å; F271-W296 AromaticContact CZ-CG 3.54Å; F271-W296 HydrophobicContact CZ-CG 3.54Å; F271-W296 AromaticContact CZ-NE1 3.99Å
272	N	98.4	Very high	98	Very high	36 Å²	36	41.8 Å²	41.8	19%	0.193	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	147.8	170.7	-53.5	-17.1	0	0	0	109.8	A179 T180 Y182 F284 S285	A179-N272 CarbonylContact C-O 3.54Å; A179-N272 WeakPolarHBondContact CA-O 2.95Å; T180-N272 PolarHBondContact N-O 3.01Å; T180-N272 PolarHBondContact O-N 3.03Å; T180-N272 WeakPolarHBondContact OG1-CB 3.33Å; Y182-N272 WeakPolarHBondContact CE2-ND2 3.34Å; N272-F284 WeakPolarHBondContact CA-O 3.46Å; N272-S285 WeakPolarHBondContact OD1-CA 3.12Å; N272-S285 WeakPolarHBondContact OD1-CB 3.3Å; N272-S285 PolarHBondContact OD1-OG 3.01Å
273	I	98.6	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.8	179.1	-61.3	-59.2	0	0	0	109	M147 L151 P176 A179 F271 F275 G283 F284	M147-I273 HydrophobicContact CE-CD1 4.36Å; M147-I273 HydrophobicContact CE-CG1 4.08Å; M147-I273 HydrophobicContact CG-CD1 3.62Å; M147-I273 HydrophobicContact CG-CG1 4.2Å; M147-I273 HydrophobicContact SD-CD1 4.09Å; M147-I273 HydrophobicContact SD-CG1 4.46Å; L151-I273 HydrophobicContact CD1-CD1 4.16Å; P176-I273 HydrophobicContact CB-CG2 3.31Å; P176-I273 HydrophobicContact CG-CG2 3.5Å; A179-I273 HydrophobicContact CB-CD1 3.55Å; F271-I273 HydrophobicContact CD2-CD1 3.84Å; F271-I273 HydrophobicContact CD2-CG1 3.79Å; F271-I273 HydrophobicContact CE2-CD1 4.07Å; F271-I273 HydrophobicContact CE2-CG1 3.81Å; I273-F275 HydrophobicContact CG2-CE2 3.98Å; I273-G283 CarbonylContact O-C 3.58Å; I273-G283 WeakPolarHBondContact O-CA 3.39Å; I273-F284 HydrophobicContact CB-CD1 4.19Å; I273-F284 HydrophobicContact CB-CE1 3.76Å; I273-F284 HydrophobicContact CB-CE2 4.15Å; I273-F284 HydrophobicContact CB-CZ 3.74Å; I273-F284 HydrophobicContact CG1-CE1 4.18Å; I273-F284 HydrophobicContact CG1-CE2 3.87Å; I273-F284 HydrophobicContact CG1-CZ 3.62Å; I273-F284 HydrophobicContact CG2-CE1 3.89Å; I273-F284 HydrophobicContact CG2-CZ 4.16Å; I273-F284 PolarHBondContact N-O 2.74Å; I273-F284 PolarHBondContact O-N 2.62Å
274	D	98.5	Very high	98	Very high	45 Å²	45	36.1 Å²	36.1	24%	0.241	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.7	179.7	-67.2	-46.9	0	0	0	110.9	P176 D177 R178 T276	P176-D274 VanDerWaalsContact CB-O 3.29Å; P176-D274 WeakPolarHBondContact CB-O 3.18Å; D177-D274 PolarHBondContact N-O 3.02Å; D177-D274 VanDerWaalsContact OD1-O 3.11Å; R178-D274 HydrophobicContact CB-CB 4.09Å; R178-D274 HydrophobicContact CG-CB 4.46Å; R178-D274 IonicContact CZ-OD2 2.7Å; R178-D274 PolarHBondContact N-O 3.36Å; R178-D274 IonicContact NH1-OD2 2.7Å; R178-D274 PolarHBondContact NH1-OD2 3.16Å; R178-D274 PolarHBondContact O-N 3.38Å; D274-T276 HydrophobicContact CB-CG2 3.97Å
275	F	98.6	Very high	97.9	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.013	21%	0.206	C	C	.	.			trans	-112.4	74.7	169.7	-61.7	-106.7	0	0	0	107.9	T56 Y57 A60 M175 P176 I273 S277 C278 T282	T56-F275 HydrophobicContact CG2-CD2 4.17Å; T56-F275 HydrophobicContact CG2-CE2 3.75Å; Y57-F275 AromaticContact CD1-CE1 3.94Å; Y57-F275 HydrophobicContact CD1-CE1 3.94Å; Y57-F275 AromaticContact CD1-CZ 3.84Å; Y57-F275 HydrophobicContact CD1-CZ 3.84Å; Y57-F275 HydrophobicContact CD2-CZ 4.14Å; Y57-F275 HydrophobicContact CE1-CE1 4.01Å; Y57-F275 AromaticContact CE1-CZ 3.84Å; Y57-F275 HydrophobicContact CE1-CZ 3.84Å; Y57-F275 HydrophobicContact CE2-CZ 4.11Å; Y57-F275 HydrophobicContact CG-CE1 4.47Å; Y57-F275 HydrophobicContact CG-CZ 4Å; Y57-F275 AromaticContact CZ-CZ 3.97Å; A60-F275 HydrophobicContact CB-CB 4.29Å; A60-F275 HydrophobicContact CB-CD1 3.47Å; A60-F275 VanDerWaalsContact CB-CD1 3.47Å; A60-F275 HydrophobicContact CB-CD2 4.42Å; A60-F275 HydrophobicContact CB-CE1 3.81Å; A60-F275 HydrophobicContact CB-CG 3.82Å; A60-F275 HydrophobicContact CB-CZ 4.44Å; M175-F275 HydrophobicContact CB-CD1 3.89Å; M175-F275 HydrophobicContact CB-CE1 3.95Å; M175-F275 HydrophobicContact CG-CD1 4.19Å; P176-F275 HydrophobicContact CB-CD1 4.16Å; P176-F275 HydrophobicContact CB-CD2 4.26Å; P176-F275 HydrophobicContact CB-CE1 3.96Å; P176-F275 HydrophobicContact CB-CE2 4.02Å; P176-F275 HydrophobicContact CB-CG 4.31Å; P176-F275 HydrophobicContact CB-CZ 3.88Å; P176-F275 HydrophobicContact CG-CZ 4.39Å; I273-F275 HydrophobicContact CG2-CE2 3.98Å; F275-S277 PolarHBondContact O-N 2.72Å; F275-C278 VanDerWaalsContact CB-SG 3.51Å; F275-C278 VanDerWaalsContact O-CB 3.23Å; F275-C278 WeakPolarHBondContact O-CB 3.4Å; F275-C278 PolarHBondContact O-N 2.81Å; F275-C278 PolarHBondContact O-SG 2.7Å; F275-C278 VanDerWaalsContact O-SG 3.38Å; F275-T282 HydrophobicContact CB-CG2 4.44Å; F275-T282 HydrophobicContact CD2-CG2 4.26Å; F275-T282 PolarHBondContact N-O 3.41Å
276	T	98.2	Very high	97.9	Very high	83 Å²	83	36.8 Å²	36.8	51%	0.509	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.4	-168.3	72.4	0	0	0	0	113.4	D177 R178 D274 C278	D177-T276 WeakPolarHBondContact OD1-CG2 3.29Å; D177-T276 PolarHBondContact OD1-N 2.87Å; D177-T276 PolarHBondContact OD1-OG1 2.85Å; D177-T276 VanDerWaalsContact OD1-OG1 3.13Å; D177-T276 PolarHBondContact OD2-N 2.96Å; D177-T276 PolarHBondContact OD2-OG1 2.86Å; R178-T276 HydrophobicContact CB-CG2 3.95Å; D274-T276 HydrophobicContact CB-CG2 3.97Å; T276-C278 PolarHBondContact O-N 2.87Å
277	S	96.2	Very high	97.9	Very high	39 Å²	39	36.9 Å²	36.9	27%	0.273	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.3	172.8	-62.6	0	0	0	0	114.3	L67 D177 Y241 F275	L67-S277 VanDerWaalsContact CD1-O 3.31Å; L67-S277 WeakPolarHBondContact CD1-O 3.44Å; D177-S277 PolarHBondContact OD2-N 3.06Å; D177-S277 VanDerWaalsContact OD2-N 3.11Å; D177-S277 PolarHBondContact OD2-OG 2.58Å; D177-S277 VanDerWaalsContact OD2-OG 3.06Å; Y241-S277 PolarHBondContact OH-OG 2.94Å; F275-S277 PolarHBondContact O-N 2.72Å
278	C	98	Very high	97.7	Very high	14 Å²	14	37.2 Å²	37.2	10%	0.095	21%	0.21	C	C	.	.	S	Bend	trans	-70.1	146.9	-179	-67.1	0	0	0	0	112.6	N64 F275 T276 K280	N64-C278 PolarHBondContact ND2-SG 2.88Å; F275-C278 VanDerWaalsContact CB-SG 3.51Å; F275-C278 VanDerWaalsContact O-CB 3.23Å; F275-C278 WeakPolarHBondContact O-CB 3.4Å; F275-C278 PolarHBondContact O-N 2.81Å; F275-C278 PolarHBondContact O-SG 2.7Å; F275-C278 VanDerWaalsContact O-SG 3.38Å; T276-C278 PolarHBondContact O-N 2.87Å; C278-K280 VanDerWaalsContact C-N 3.28Å; C278-K280 WeakPolarHBondContact CB-O 3.36Å; C278-K280 PolarHBondContact O-N 2.81Å
279	H	96.4	Very high	96.9	Very high	155 Å²	155	41.7 Å²	41.7	72%	0.718	23%	0.234	S	C	*	.	S	Bend	trans	-64.5	-31.5	179.7	-178.3	62.9	0	0	0	113.5	N64	N64-H279 PolarHBondContact OD1-N 2.73Å
280	K	97.1	Very high	95.5	Very high	151 Å²	151	45.7 Å²	45.7	66%	0.657	25%	0.253	S	S	*	.	S	Bend	trans	-113.3	148	170.8	-68	-171.7	177.9	-176.2	0	109	C278 T282	C278-K280 VanDerWaalsContact C-N 3.28Å; C278-K280 WeakPolarHBondContact CB-O 3.36Å; C278-K280 PolarHBondContact O-N 2.81Å; K280-T282 PolarHBondContact O-N 2.9Å; K280-T282 PolarHBondContact O-OG1 2.73Å
281	P	96.8	Very high	94.3	Very high	142 Å²	142	56 Å²	56	92%	0.922	29%	0.292	S	S	*	.			trans	-48.3	117.9	171	-27.2	35	0	0	0	110.2
282	T	98.1	Very high	93.7	Very high	28 Å²	28	64 Å²	64	17%	0.172	32%	0.322	C	S	.	.			trans	-134.7	124.4	-176	-58.5	0	0	0	0	107	T56 A60 F275 K280	T56-T282 HydrophobicContact CG2-CG2 4Å; A60-T282 HydrophobicContact CB-CG2 4.1Å; F275-T282 HydrophobicContact CB-CG2 4.44Å; F275-T282 HydrophobicContact CD2-CG2 4.26Å; F275-T282 PolarHBondContact N-O 3.41Å; K280-T282 PolarHBondContact O-N 2.9Å; K280-T282 PolarHBondContact O-OG1 2.73Å
283	G	97.6	Very high	93.4	Very high	32 Å²	32	67.9 Å²	67.9	33%	0.33	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	177.5	-172.8	0	0	0	0	0	110.6	I273	I273-G283 CarbonylContact O-C 3.58Å; I273-G283 WeakPolarHBondContact O-CA 3.39Å
284	F	97.7	Very high	93.4	Very high	13 Å²	13	68 Å²	68	6%	0.057	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	155.7	175.7	61.2	-91.1	0	0	0	110.9	I52 T56 Y57 M147 F271 N272 I273 T286 W296	I52-F284 HydrophobicContact CG2-CB 3.52Å; I52-F284 HydrophobicContact CG2-CD2 4.19Å; I52-F284 HydrophobicContact CG2-CG 3.94Å; T56-F284 HydrophobicContact CG2-CD1 3.75Å; T56-F284 HydrophobicContact CG2-CE1 4.47Å; Y57-F284 HydrophobicContact CE2-CE1 4.44Å; M147-F284 HydrophobicContact CE-CZ 3.86Å; F271-F284 HydrophobicContact CE2-CE2 4.36Å; N272-F284 WeakPolarHBondContact CA-O 3.46Å; I273-F284 HydrophobicContact CB-CD1 4.19Å; I273-F284 HydrophobicContact CB-CE1 3.76Å; I273-F284 HydrophobicContact CB-CE2 4.15Å; I273-F284 HydrophobicContact CB-CZ 3.74Å; I273-F284 HydrophobicContact CG1-CE1 4.18Å; I273-F284 HydrophobicContact CG1-CE2 3.87Å; I273-F284 HydrophobicContact CG1-CZ 3.62Å; I273-F284 HydrophobicContact CG2-CE1 3.89Å; I273-F284 HydrophobicContact CG2-CZ 4.16Å; I273-F284 PolarHBondContact N-O 2.74Å; I273-F284 PolarHBondContact O-N 2.62Å; F284-T286 HydrophobicContact CD2-CG2 4.42Å; F284-T286 HydrophobicContact CE2-CG2 4.26Å; F284-W296 HydrophobicContact CD2-CZ3 4.47Å; F284-W296 HydrophobicContact CE2-CE3 4.14Å; F284-W296 HydrophobicContact CE2-CH2 4Å; F284-W296 AromaticContact CE2-CZ3 3.43Å; F284-W296 HydrophobicContact CE2-CZ3 3.43Å; F284-W296 VanDerWaalsContact CE2-CZ3 3.43Å; F284-W296 AromaticContact CZ-CH2 3.78Å; F284-W296 HydrophobicContact CZ-CH2 3.78Å; F284-W296 AromaticContact CZ-CZ3 3.68Å; F284-W296 HydrophobicContact CZ-CZ3 3.68Å
285	S	97.6	Very high	93.3	Very high	11 Å²	11	66.6 Å²	66.6	8%	0.077	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	150.1	168.9	-169.8	0	0	0	0	110.4	N272 G287 E290	N272-S285 WeakPolarHBondContact OD1-CA 3.12Å; N272-S285 WeakPolarHBondContact OD1-CB 3.3Å; N272-S285 PolarHBondContact OD1-OG 3.01Å; S285-G287 PolarHBondContact OG-N 2.7Å; S285-E290 VanDerWaalsContact CB-CD 3.46Å; S285-E290 WeakPolarHBondContact CB-OE1 3.39Å
286	T	98.1	Very high	93.2	Very high	3 Å²	3	66.7 Å²	66.7	2%	0.018	33%	0.327	C	S	.	.			trans	-102.1	10.9	164.2	59.3	0	0	0	0	111.1	F271 F284 T294 W296 Q298	F271-T286 HydrophobicContact CD1-CG2 4.41Å; F271-T286 HydrophobicContact CD2-CG2 4.09Å; F271-T286 HydrophobicContact CE1-CG2 4.02Å; F271-T286 HydrophobicContact CE2-CG2 3.67Å; F271-T286 HydrophobicContact CG-CG2 4.46Å; F271-T286 HydrophobicContact CZ-CG2 3.65Å; F271-T286 PolarHBondContact N-OG1 3.11Å; F271-T286 PolarHBondContact O-N 2.9Å; F271-T286 PolarHBondContact O-OG1 2.86Å; F284-T286 HydrophobicContact CD2-CG2 4.42Å; F284-T286 HydrophobicContact CE2-CG2 4.26Å; T286-T294 HydrophobicContact CG2-CG2 4.34Å; T286-T294 WeakPolarHBondContact CG2-OG1 3.45Å; T286-W296 HydrophobicContact CG2-CB 4.14Å; T286-W296 HydrophobicContact CG2-CD2 4.39Å; T286-W296 HydrophobicContact CG2-CE3 3.87Å; T286-Q298 WeakPolarHBondContact O-CG 3.3Å; T286-Q298 PolarHBondContact O-NE2 2.83Å
287	G	97.2	Very high	93.2	Very high	3 Å²	3	65 Å²	65	3%	0.031	31%	0.313	C	S	.	.	S	Bend	trans	-72	153.6	-176.9	0	0	0	0	0	113.6	F270 S285 D289 E290	F270-G287 VanDerWaalsContact CG-CA 3.42Å; S285-G287 PolarHBondContact OG-N 2.7Å; G287-D289 PolarHBondContact O-N 3.03Å; G287-E290 PolarHBondContact O-N 3.2Å
288	P	94.1	Very high	93.3	Very high	6 Å²	6	63.8 Å²	63.8	4%	0.039	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.7	-177.3	27.5	-35.1	0	0	0	113.2	V223 P225 V228 E290	V223-P288 HydrophobicContact CB-CB 4.13Å; V223-P288 HydrophobicContact CG1-CB 4.09Å; P225-P288 VanDerWaalsContact CB-O 3.24Å; P225-P288 WeakPolarHBondContact CB-O 3.38Å; P225-P288 WeakPolarHBondContact CD-O 3.21Å; P225-P288 WeakPolarHBondContact CG-O 3.41Å; V228-P288 HydrophobicContact CG2-CB 4.12Å; V228-P288 HydrophobicContact CG2-CG 3.63Å; P288-E290 VanDerWaalsContact C-N 3.26Å; P288-E290 PolarHBondContact O-N 3.07Å
289	D	82.7	Confident	93.3	Very high	94 Å²	94	63.2 Å²	63.2	50%	0.503	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.8	-179.9	-73.9	-17.5	0	0	0	113	G287 R291	G287-D289 PolarHBondContact O-N 3.03Å; D289-R291 PolarHBondContact O-N 2.99Å
290	E	69.2	Low	93.4	Very high	85 Å²	85	56 Å²	56	40%	0.397	27%	0.266	S	S	.	.	S	Bend	trans	-78.9	110.3	170.7	-66.5	-154.4	-166.6	0	0	107.9	S285 G287 P288 R292	S285-E290 VanDerWaalsContact CB-CD 3.46Å; S285-E290 WeakPolarHBondContact CB-OE1 3.39Å; G287-E290 PolarHBondContact O-N 3.2Å; P288-E290 VanDerWaalsContact C-N 3.26Å; P288-E290 PolarHBondContact O-N 3.07Å; E290-R292 PolarHBondContact O-N 3.28Å
291	R	72.7	Confident	93.4	Very high	231 Å²	231	48.9 Å²	48.9	87%	0.872	24%	0.235	S	C	*	.	S	Bend	trans	-64.5	24.3	176.2	-61.5	-175.6	179.1	-169	-2.2	113.8	D289	D289-R291 PolarHBondContact O-N 2.99Å
292	R	85.1	Confident	93.4	Very high	169 Å²	169	42.3 Å²	42.3	64%	0.638	19%	0.192	S	C	*	.	S	Bend	trans	-121	127.9	-175.7	-57.4	-165.5	-175	-174.3	-2.3	108.1	I52 E290	I52-R292 HydrophobicContact CD1-CB 4.3Å; I52-R292 HydrophobicContact CG1-CB 4.15Å; E290-R292 PolarHBondContact O-N 3.28Å
293	Y	94.1	Very high	93.3	Very high	118 Å²	118	41.1 Å²	41.1	46%	0.463	19%	0.185	S	C	.	.			trans	-75.5	141.3	-179.9	172.7	-93.3	0	0	0	111.1	V222 K297	V222-Y293 HydrophobicContact CG2-CD2 3.79Å; V222-Y293 HydrophobicContact CG2-CE2 3.84Å; Y293-K297 HydrophobicContact CE2-CG 3.91Å
294	T	97.2	Very high	93.2	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	17%	0.172	C	C	.	.			trans	-127.8	151	162.9	64.4	0	0	0	0	108.3	D50 I52 T286 W296 K297	D50-T294 VanDerWaalsContact OD2-CA 3.31Å; D50-T294 WeakPolarHBondContact OD2-CA 3.35Å; D50-T294 WeakPolarHBondContact OD2-CB 3.08Å; I52-T294 HydrophobicContact CB-CG2 4Å; I52-T294 HydrophobicContact CG2-CG2 3.79Å; T286-T294 HydrophobicContact CG2-CG2 4.34Å; T286-T294 WeakPolarHBondContact CG2-OG1 3.45Å; T294-W296 PolarHBondContact O-N 3.28Å; T294-K297 PolarHBondContact O-N 3.48Å
295	H	96.4	Very high	92.7	Very high	15 Å²	15	42.3 Å²	42.3	7%	0.069	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.8	-178	77	-76.2	0	0	0	113.4	E46 D50 K297	E46-H295 HydrophobicContact CG-CB 3.92Å; D50-H295 HydrophobicContact CB-CB 4.44Å; D50-H295 IonicContact OD2-CE1 2.61Å; D50-H295 IonicContact OD2-CG 3.69Å; D50-H295 PolarHBondContact OD2-N 2.98Å; D50-H295 IonicContact OD2-ND1 2.88Å; D50-H295 PolarHBondContact OD2-ND1 2.94Å; H295-K297 PolarHBondContact O-N 2.93Å
296	W	97.5	Very high	92.1	Very high	5 Å²	5	44.4 Å²	44.4	2%	0.019	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.6	172.6	-65.5	-73.1	0	0	0	114.5	R53 E145 M147 V220 F271 F284 T286 T294 Q298	R53-W296 HydrophobicContact CB-CH2 4.06Å; R53-W296 HydrophobicContact CB-CZ3 3.88Å; R53-W296 VanDerWaalsContact CD-CH2 3.46Å; R53-W296 HydrophobicContact CG-CH2 3.51Å; R53-W296 HydrophobicContact CG-CZ3 3.88Å; E145-W296 WeakPolarHBondContact OE1-CZ2 3.2Å; M147-W296 HydrophobicContact CB-CZ2 3.85Å; M147-W296 HydrophobicContact CE-CH2 3.7Å; M147-W296 HydrophobicContact CE-CZ2 3.81Å; M147-W296 PolarHBondContact O-NE1 3.3Å; V220-W296 WeakPolarHBondContact CG1-O 3.46Å; F271-W296 HydrophobicContact CE1-CB 4.03Å; F271-W296 HydrophobicContact CE1-CD2 4.43Å; F271-W296 AromaticContact CE1-CG 3.93Å; F271-W296 HydrophobicContact CE1-CG 3.93Å; F271-W296 HydrophobicContact CE2-CD2 4.39Å; F271-W296 HydrophobicContact CZ-CB 4.02Å; F271-W296 AromaticContact CZ-CD1 3.81Å; F271-W296 AromaticContact CZ-CD2 3.58Å; F271-W296 HydrophobicContact CZ-CD2 3.58Å; F271-W296 AromaticContact CZ-CE2 3.86Å; F271-W296 HydrophobicContact CZ-CE3 4.09Å; F271-W296 AromaticContact CZ-CG 3.54Å; F271-W296 HydrophobicContact CZ-CG 3.54Å; F271-W296 AromaticContact CZ-NE1 3.99Å; F284-W296 HydrophobicContact CD2-CZ3 4.47Å; F284-W296 HydrophobicContact CE2-CE3 4.14Å; F284-W296 HydrophobicContact CE2-CH2 4Å; F284-W296 AromaticContact CE2-CZ3 3.43Å; F284-W296 HydrophobicContact CE2-CZ3 3.43Å; F284-W296 VanDerWaalsContact CE2-CZ3 3.43Å; F284-W296 AromaticContact CZ-CH2 3.78Å; F284-W296 HydrophobicContact CZ-CH2 3.78Å; F284-W296 AromaticContact CZ-CZ3 3.68Å; F284-W296 HydrophobicContact CZ-CZ3 3.68Å; T286-W296 HydrophobicContact CG2-CB 4.14Å; T286-W296 HydrophobicContact CG2-CD2 4.39Å; T286-W296 HydrophobicContact CG2-CE3 3.87Å; T294-W296 PolarHBondContact O-N 3.28Å; W296-Q298 PolarHBondContact O-N 3.22Å
297	K	97.1	Very high	91.3	Very high	49 Å²	49	51.6 Å²	51.6	21%	0.213	25%	0.245	C	C	.	.			trans	46.3	-133.5	-172.6	-47.8	179.7	-177.6	179.8	0	110.7	V220 D221 V222 Y293 T294 H295	V220-K297 HydrophobicContact CG1-CB 4.29Å; V220-K297 HydrophobicContact CG1-CD 4.4Å; D221-K297 VanDerWaalsContact CA-CD 3.49Å; D221-K297 WeakPolarHBondContact O-CB 3.48Å; D221-K297 IonicContact OD1-NZ 3.41Å; D221-K297 PolarHBondContact OD1-NZ 2.91Å; V222-K297 HydrophobicContact CG2-CB 4.15Å; V222-K297 HydrophobicContact CG2-CD 3.85Å; V222-K297 HydrophobicContact CG2-CG 3.84Å; Y293-K297 HydrophobicContact CE2-CG 3.91Å; T294-K297 PolarHBondContact O-N 3.48Å; H295-K297 PolarHBondContact O-N 2.93Å
298	Q	98	Very high	90.7	Very high	13 Å²	13	54.8 Å²	54.8	6%	0.061	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	161.8	170.2	-60.9	78.1	49.5	0	0	110.3	V220 D221 V223 V268 F270 T286 W296	V220-Q298 WeakPolarHBondContact CA-O 3.13Å; D221-Q298 PolarHBondContact N-O 3.25Å; D221-Q298 PolarHBondContact O-N 3.18Å; D221-Q298 PolarHBondContact O-OE1 2.92Å; V223-Q298 HydrophobicContact CG2-CB 4.22Å; V268-Q298 HydrophobicContact CG1-CB 3.54Å; V268-Q298 HydrophobicContact CG1-CG 4.06Å; F270-Q298 HydrophobicContact CB-CG 4.17Å; T286-Q298 WeakPolarHBondContact O-CG 3.3Å; T286-Q298 PolarHBondContact O-NE2 2.83Å; W296-Q298 PolarHBondContact O-N 3.22Å
299	T	98.4	Very high	90.5	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.7	175	-56.1	0	0	0	0	110.5	C150 P218 L219 V268 T269 F301 M358	C150-T299 HydrophobicContact CB-CG2 4.27Å; C150-T299 PolarHBondContact N-OG1 2.67Å; P218-T299 HydrophobicContact CB-CG2 3.48Å; P218-T299 VanDerWaalsContact CB-CG2 3.48Å; L219-T299 CarbonylContact O-C 3.46Å; L219-T299 WeakPolarHBondContact O-CA 3.49Å; V268-T299 CarbonylContact C-O 3.54Å; V268-T299 VanDerWaalsContact CA-O 3.28Å; V268-T299 WeakPolarHBondContact CA-O 3.41Å; T269-T299 PolarHBondContact N-O 2.9Å; T269-T299 PolarHBondContact O-N 2.79Å; T269-T299 WeakPolarHBondContact OG1-CB 3.11Å; T299-F301 HydrophobicContact CG2-CD2 4.37Å; T299-F301 HydrophobicContact CG2-CE1 4.19Å; T299-F301 HydrophobicContact CG2-CE2 3.53Å; T299-F301 HydrophobicContact CG2-CZ 3.44Å; T299-F301 VanDerWaalsContact CG2-CZ 3.44Å; T299-F301 WeakPolarHBondContact O-CE2 3.39Å; T299-M358 HydrophobicContact CG2-CE 3.32Å
300	V	98.3	Very high	91.1	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.024	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.4	-174.4	-172.8	0	0	0	0	110.6	I186 P218 L219 V223 A266 V268 Y302	I186-V300 HydrophobicContact CD1-CG1 4.24Å; P218-V300 CarbonylContact C-O 3.38Å; P218-V300 VanDerWaalsContact CA-O 3.28Å; P218-V300 WeakPolarHBondContact CA-O 3.18Å; L219-V300 HydrophobicContact CB-CB 4.35Å; L219-V300 PolarHBondContact N-O 3.4Å; L219-V300 PolarHBondContact O-N 2.87Å; V223-V300 HydrophobicContact CG2-CG2 3.87Å; A266-V300 HydrophobicContact CB-CG1 3.55Å; V268-V300 HydrophobicContact CG2-CG2 4.26Å; V300-Y302 HydrophobicContact CG1-CE1 4.4Å
301	F	98	Very high	92.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	100.7	-178.3	-58	-91.5	0	0	0	109.6	P218 A266 L267 T269 T299 L303 I337 I339 Y356	P218-F301 HydrophobicContact CB-CD1 3.95Å; P218-F301 HydrophobicContact CB-CE1 3.72Å; P218-F301 HydrophobicContact CB-CZ 4.22Å; P218-F301 HydrophobicContact CG-CD1 3.83Å; P218-F301 HydrophobicContact CG-CE1 3.48Å; P218-F301 VanDerWaalsContact CG-CE1 3.48Å; P218-F301 HydrophobicContact CG-CZ 4.32Å; A266-F301 CarbonylContact C-O 3.49Å; A266-F301 WeakPolarHBondContact CA-O 3.3Å; A266-F301 WeakPolarHBondContact CB-O 3.35Å; L267-F301 HydrophobicContact CB-CB 4.41Å; L267-F301 PolarHBondContact N-O 3.29Å; L267-F301 PolarHBondContact O-N 2.93Å; T269-F301 HydrophobicContact CG2-CD2 4.35Å; T269-F301 HydrophobicContact CG2-CE2 3.63Å; T269-F301 HydrophobicContact CG2-CZ 4.39Å; T269-F301 WeakPolarHBondContact OG1-CE2 3.49Å; T299-F301 HydrophobicContact CG2-CD2 4.37Å; T299-F301 HydrophobicContact CG2-CE1 4.19Å; T299-F301 HydrophobicContact CG2-CE2 3.53Å; T299-F301 HydrophobicContact CG2-CZ 3.44Å; T299-F301 VanDerWaalsContact CG2-CZ 3.44Å; T299-F301 WeakPolarHBondContact O-CE2 3.39Å; F301-L303 PolarHBondContact O-N 3.31Å; F301-I337 HydrophobicContact CE1-CB 4.32Å; F301-I337 HydrophobicContact CE1-CD1 3.67Å; F301-I337 HydrophobicContact CE1-CG2 3.85Å; F301-I337 HydrophobicContact CZ-CD1 3.89Å; F301-I337 HydrophobicContact CZ-CG2 4.39Å; F301-I339 HydrophobicContact CB-CD1 3.99Å; F301-I339 HydrophobicContact CD1-CD1 3.86Å; F301-I339 HydrophobicContact CD2-CD1 4.32Å; F301-I339 HydrophobicContact CE1-CD1 4.42Å; F301-I339 HydrophobicContact CG-CD1 3.8Å; F301-Y356 HydrophobicContact CB-CE1 4.16Å; F301-Y356 HydrophobicContact CB-CE2 4.1Å; F301-Y356 HydrophobicContact CD1-CD1 4.14Å; F301-Y356 AromaticContact CD1-CD2 3.7Å; F301-Y356 HydrophobicContact CD1-CD2 3.7Å; F301-Y356 HydrophobicContact CD1-CE1 4.37Å; F301-Y356 AromaticContact CD1-CE2 3.95Å; F301-Y356 HydrophobicContact CD1-CE2 3.95Å; F301-Y356 AromaticContact CD1-CG 3.8Å; F301-Y356 HydrophobicContact CD1-CG 3.8Å; F301-Y356 HydrophobicContact CE1-CD2 4.4Å; F301-Y356 HydrophobicContact CE1-CG 4.44Å; F301-Y356 HydrophobicContact CG-CE2 4.46Å
302	Y	97.3	Very high	93.6	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	125	-178.5	-73.9	-64.4	0	0	0	112.4	D188 K192 I196 L219 A266 V300 D304 Y356	D188-Y302 HydrophobicContact CB-CE1 4.43Å; D188-Y302 PolarHBondContact OD2-OH 3.32Å; D188-Y302 VanDerWaalsContact OD2-OH 3.12Å; K192-Y302 WeakPolarHBondContact CA-OH 3.18Å; K192-Y302 HydrophobicContact CB-CD1 4.15Å; K192-Y302 HydrophobicContact CB-CE1 3.54Å; K192-Y302 HydrophobicContact CD-CD1 3.84Å; K192-Y302 HydrophobicContact CD-CE1 4.12Å; K192-Y302 HydrophobicContact CG-CD1 3.92Å; K192-Y302 HydrophobicContact CG-CE1 3.8Å; K192-Y302 HydrophobicContact CG-CG 4.49Å; K192-Y302 PolarHBondContact N-OH 3.01Å; I196-Y302 HydrophobicContact CD1-CD2 3.94Å; I196-Y302 HydrophobicContact CD1-CE2 4.04Å; I196-Y302 HydrophobicContact CG1-CD2 3.66Å; I196-Y302 HydrophobicContact CG1-CE2 3.62Å; I196-Y302 HydrophobicContact CG1-CG 4.39Å; L219-Y302 HydrophobicContact CD1-CD2 3.95Å; L219-Y302 HydrophobicContact CD1-CE2 3.68Å; L219-Y302 HydrophobicContact CD2-CE2 4.14Å; L219-Y302 HydrophobicContact CG-CE2 4.49Å; A266-Y302 HydrophobicContact CB-CD1 3.77Å; A266-Y302 HydrophobicContact CB-CE1 4.16Å; A266-Y302 HydrophobicContact CB-CG 4.46Å; V300-Y302 HydrophobicContact CG1-CE1 4.4Å; Y302-D304 PolarHBondContact O-N 3.44Å; Y302-D304 VanDerWaalsContact O-N 3.11Å; Y302-Y356 PolarHBondContact O-OH 3.21Å
303	L	95.9	Very high	94.2	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	18%	0.179	C	C	.	.			trans	-84.1	79.2	175.3	-56.6	-177.3	0	0	0	109.3	I264 Q265 L267 F301 L311 V341 F354	I264-L303 HydrophobicContact CG2-CD1 4.21Å; Q265-L303 PolarHBondContact O-N 3.25Å; L267-L303 HydrophobicContact CD1-CD2 4.28Å; L267-L303 HydrophobicContact CD2-CD1 4.29Å; L267-L303 HydrophobicContact CG-CD1 4.1Å; L267-L303 HydrophobicContact CG-CD2 4.09Å; L267-L303 HydrophobicContact CG-CG 4.32Å; F301-L303 PolarHBondContact O-N 3.31Å; L303-L311 HydrophobicContact CD1-CD1 4.19Å; L303-V341 HydrophobicContact CD2-CG2 3.99Å; L303-F354 HydrophobicContact CB-CE2 4.5Å; L303-F354 HydrophobicContact CB-CZ 4.13Å; L303-F354 HydrophobicContact CD2-CD2 3.91Å; L303-F354 HydrophobicContact CD2-CE2 3.82Å; L303-F354 HydrophobicContact CD2-CG 4.4Å; L303-F354 HydrophobicContact CD2-CZ 4.24Å
304	D	93.8	Very high	94.4	Very high	11 Å²	11	29.8 Å²	29.8	6%	0.059	17%	0.169	C	C	.	.			trans	-135.6	113.5	178.4	-164.6	-50.6	0	0	0	109.8	K192 R211 L215 Y302 G306 D308	K192-D304 WeakPolarHBondContact CE-OD2 3.44Å; K192-D304 IonicContact NZ-OD2 3.61Å; K192-D304 PolarHBondContact NZ-OD2 3.37Å; R211-D304 IonicContact CZ-OD1 3.17Å; R211-D304 IonicContact CZ-OD2 3.91Å; R211-D304 IonicContact NH2-OD1 2.74Å; R211-D304 PolarHBondContact NH2-OD1 3.33Å; R211-D304 IonicContact NH2-OD2 2.89Å; R211-D304 PolarHBondContact NH2-OD2 3Å; L215-D304 HydrophobicContact CD1-CB 3.8Å; L215-D304 HydrophobicContact CD2-CB 3.53Å; L215-D304 HydrophobicContact CG-CB 4.29Å; Y302-D304 PolarHBondContact O-N 3.44Å; Y302-D304 VanDerWaalsContact O-N 3.11Å; D304-G306 PolarHBondContact OD1-N 2.86Å; D304-D308 WeakPolarHBondContact CA-O 3.43Å
305	N	88.5	Confident	94.5	Very high	58 Å²	58	36.8 Å²	36.8	31%	0.31	20%	0.199	S	C	.	.			trans	-104.2	4.4	178.7	67	13.5	0	0	0	112.2	D307 D308 T352 F354	N305-D307 VanDerWaalsContact C-N 3.34Å; N305-D307 PolarHBondContact OD1-N 2.94Å; N305-D308 PolarHBondContact N-O 2.9Å; N305-D308 PolarHBondContact OD1-N 3.23Å; N305-D308 PolarHBondContact OD1-O 2.7Å; N305-T352 HydrophobicContact CB-CG2 4.16Å; N305-F354 HydrophobicContact CB-CE1 4.02Å; N305-F354 HydrophobicContact CB-CZ 4.48Å
306	G	85	Confident	94.6	Very high	55 Å²	55	38.4 Å²	38.4	57%	0.567	22%	0.219	S	C	*	.	S	Bend	trans	90.2	-26	-175.2	0	0	0	0	0	115.3	D304	D304-G306 PolarHBondContact OD1-N 2.86Å
307	D	81.4	Confident	94.6	Very high	154 Å²	154	39.8 Å²	39.8	82%	0.824	23%	0.226	S	C	*	.	S	Bend	trans	-97.7	-42.9	175.7	-65.7	-38.6	0	0	0	110.9	N305	N305-D307 VanDerWaalsContact C-N 3.34Å; N305-D307 PolarHBondContact OD1-N 2.94Å
308	D	84.7	Confident	94.7	Very high	71 Å²	71	42.3 Å²	42.3	38%	0.38	24%	0.239	S	C	.	.			trans	-114.7	126.5	174.2	-59.1	-63.8	0	0	0	109.7	D304 N305	D304-D308 WeakPolarHBondContact CA-O 3.43Å; N305-D308 PolarHBondContact N-O 2.9Å; N305-D308 PolarHBondContact OD1-N 3.23Å; N305-D308 PolarHBondContact OD1-O 2.7Å
309	D	89.8	Confident	94.7	Very high	57 Å²	57	41.7 Å²	41.7	31%	0.305	24%	0.236	S	C	.	.			trans	-110.5	-4.2	-178.4	82.7	-10.3	0	0	0	113.7	R189 K192	R189-D309 IonicContact CZ-OD1 3.69Å; R189-D309 IonicContact CZ-OD2 2.77Å; R189-D309 IonicContact NH1-OD1 3.53Å; R189-D309 IonicContact NH1-OD2 2.77Å; R189-D309 PolarHBondContact NH1-OD2 2.75Å; R189-D309 IonicContact NH2-OD1 2.7Å; R189-D309 PolarHBondContact NH2-OD1 3.35Å; R189-D309 IonicContact NH2-OD2 2.87Å; R189-D309 PolarHBondContact NH2-OD2 3.03Å; K192-D309 PolarHBondContact NZ-O 2.97Å
310	C	94	Very high	94.8	Very high	21 Å²	21	44.3 Å²	44.3	14%	0.142	25%	0.25	C	C	.	.			trans	-165.7	160.2	174.6	63.5	0	0	0	0	111.1	R189 I264 Q265	R189-C310 PolarHBondContact NH2-SG 2.99Å; I264-C310 CarbonylContact O-C 3.5Å; I264-C310 VanDerWaalsContact O-CA 3.25Å; I264-C310 WeakPolarHBondContact O-CA 3.41Å; I264-C310 WeakPolarHBondContact O-CB 3.41Å; Q265-C310 HydrophobicContact CG-CB 4.01Å
311	L	96.8	Very high	94.8	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.6	166.7	-53.2	176	0	0	0	109.3	Y263 I264 L303 V313 I319 V341 F343 I350	Y263-L311 CarbonylContact C-O 3.53Å; Y263-L311 VanDerWaalsContact CA-O 3.3Å; Y263-L311 WeakPolarHBondContact CA-O 3.42Å; I264-L311 HydrophobicContact CB-CB 4.26Å; I264-L311 PolarHBondContact N-O 2.87Å; I264-L311 PolarHBondContact O-N 2.88Å; L303-L311 HydrophobicContact CD1-CD1 4.19Å; L311-V313 HydrophobicContact CB-CG1 3.97Å; L311-I319 HydrophobicContact CD1-CD1 3.97Å; L311-I319 HydrophobicContact CD1-CG1 4.33Å; L311-V341 HydrophobicContact CD1-CG1 4.47Å; L311-F343 HydrophobicContact CB-CD1 4.44Å; L311-F343 HydrophobicContact CD1-CB 4.34Å; L311-F343 HydrophobicContact CD1-CD1 4.42Å; L311-F343 HydrophobicContact CD1-CG 4.38Å; L311-F343 HydrophobicContact CD2-CD1 4.2Å; L311-I350 HydrophobicContact CD2-CB 3.72Å; L311-I350 HydrophobicContact CD2-CD1 4.07Å; L311-I350 HydrophobicContact CD2-CG1 4.47Å; L311-I350 HydrophobicContact CD2-CG2 3.67Å
312	T	98	Very high	94.8	Very high	36 Å²	36	47 Å²	47	22%	0.221	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	112.4	170.3	-56.1	0	0	0	0	108.5	Y263 L347 S348	Y263-T312 HydrophobicContact CD1-CG2 4.26Å; Y263-T312 HydrophobicContact CE1-CG2 3.87Å; Y263-T312 WeakPolarHBondContact CE1-OG1 3.27Å; T312-L347 HydrophobicContact CG2-CB 3.83Å; T312-L347 HydrophobicContact CG2-CD1 3.74Å; T312-L347 HydrophobicContact CG2-CG 4.45Å; T312-S348 PolarHBondContact N-OG 3.33Å; T312-S348 PolarHBondContact O-OG 2.99Å; T312-S348 VanDerWaalsContact O-OG 3.07Å
313	V	98.5	Very high	94.9	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.3	-169.9	-54.1	0	0	0	0	112.9	V229 C258 N261 D262 I264 L311 F343	V229-V313 HydrophobicContact CG1-CG2 3.99Å; C258-V313 HydrophobicContact CB-CB 4.42Å; C258-V313 HydrophobicContact CB-CG2 4.17Å; N261-V313 WeakPolarHBondContact CA-O 3.03Å; D262-V313 PolarHBondContact N-O 2.83Å; D262-V313 WeakPolarHBondContact O-CG2 3.47Å; D262-V313 PolarHBondContact O-N 2.95Å; I264-V313 HydrophobicContact CD1-CB 4.49Å; I264-V313 HydrophobicContact CD1-CG1 3.89Å; I264-V313 HydrophobicContact CD1-CG2 3.83Å; I264-V313 HydrophobicContact CG1-CG2 4.21Å; L311-V313 HydrophobicContact CB-CG1 3.97Å; V313-F343 HydrophobicContact CB-CZ 4.16Å; V313-F343 HydrophobicContact CG1-CE1 4.01Å; V313-F343 HydrophobicContact CG1-CE2 3.99Å; V313-F343 HydrophobicContact CG1-CZ 3.56Å
314	K	98.6	Very high	95	Very high	58 Å²	58	47.9 Å²	47.9	25%	0.252	27%	0.274	S	S	.	.			trans	-108.1	153.4	169.4	-62.4	-179	76	177.6	0	110.5	C258 N261 G316 E317 E346 L347	C258-K314 WeakPolarHBondContact CB-O 3.49Å; N261-K314 WeakPolarHBondContact OD1-CA 3.35Å; K314-G316 PolarHBondContact O-N 2.77Å; K314-E317 HydrophobicContact CB-CG 4.18Å; K314-E317 PolarHBondContact N-OE2 2.85Å; K314-E317 WeakPolarHBondContact O-CB 3.48Å; K314-E317 PolarHBondContact O-N 3.45Å; K314-E346 HydrophobicContact CD-CB 4Å; K314-E346 HydrophobicContact CD-CG 4.39Å; K314-E346 WeakPolarHBondContact CD-OE2 3.32Å; K314-E346 IonicContact NZ-OE1 2.8Å; K314-E346 PolarHBondContact NZ-OE1 2.8Å; K314-E346 IonicContact NZ-OE2 2.63Å; K314-E346 PolarHBondContact NZ-OE2 2.97Å; K314-L347 HydrophobicContact CD-CD1 4.37Å; K314-L347 HydrophobicContact CD-CG 4.48Å; K314-L347 HydrophobicContact CG-CD1 4.28Å
315	K	98.5	Very high	95.2	Very high	150 Å²	150	47.5 Å²	47.5	65%	0.652	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	130.1	175.5	-178.9	175.9	-176.6	-179.6	0	110.8	K259 N261 E317	K259-K315 WeakPolarHBondContact O-CD 3.48Å; K259-K315 WeakPolarHBondContact O-CE 3.37Å; K259-K315 WeakPolarHBondContact O-CG 3.29Å; N261-K315 WeakPolarHBondContact OD1-CB 3.29Å; N261-K315 PolarHBondContact OD1-N 2.94Å; K315-E317 VanDerWaalsContact C-N 3.35Å
316	G	98.5	Very high	95.6	Very high	48 Å²	48	48.7 Å²	48.7	50%	0.495	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-12.7	178.2	0	0	0	0	0	114.6	C258 K314	C258-G316 PolarHBondContact O-N 3.07Å; K314-G316 PolarHBondContact O-N 2.77Å
317	E	98.6	Very high	96.1	Very high	35 Å²	35	48.1 Å²	48.1	16%	0.164	26%	0.261	C	S	.	.			trans	-68.6	157.9	172.2	-63	179.7	152.3	0	0	111	T257 C258 K314 K315 F343 G345 E346	T257-E317 WeakPolarHBondContact CA-O 3.48Å; C258-E317 PolarHBondContact N-O 3.13Å; K314-E317 HydrophobicContact CB-CG 4.18Å; K314-E317 PolarHBondContact N-OE2 2.85Å; K314-E317 WeakPolarHBondContact O-CB 3.48Å; K314-E317 PolarHBondContact O-N 3.45Å; K315-E317 VanDerWaalsContact C-N 3.35Å; E317-F343 HydrophobicContact CB-CE2 3.94Å; E317-F343 HydrophobicContact CB-CZ 4.4Å; E317-F343 WeakPolarHBondContact OE2-CZ 3.42Å; E317-G345 WeakPolarHBondContact OE1-CA 3.3Å; E317-E346 PolarHBondContact OE1-N 3.04Å
318	Q	98.6	Very high	96.8	Very high	102 Å²	102	41.4 Å²	41.4	48%	0.477	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.3	-173.8	-67.4	-174.6	-27.8	0	0	111.4	T255 L256 F343	T255-Q318 HydrophobicContact CG2-CB 4.33Å; T255-Q318 HydrophobicContact CG2-CG 4.39Å; L256-Q318 CarbonylContact O-C 3.49Å; L256-Q318 VanDerWaalsContact O-CA 3.29Å; L256-Q318 WeakPolarHBondContact O-CA 3.32Å; Q318-F343 WeakPolarHBondContact O-CD2 3.29Å
319	I	98.7	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.5	168.7	-56.7	164.8	0	0	0	106.8	T255 L256 I264 L311 V341 F343	T255-I319 CarbonylContact C-O 3.53Å; T255-I319 WeakPolarHBondContact CA-O 3.35Å; L256-I319 HydrophobicContact CB-CB 4.36Å; L256-I319 PolarHBondContact N-O 3.36Å; L256-I319 PolarHBondContact O-N 3.02Å; I264-I319 HydrophobicContact CD1-CD1 3.45Å; I264-I319 VanDerWaalsContact CD1-CD1 3.45Å; L311-I319 HydrophobicContact CD1-CD1 3.97Å; L311-I319 HydrophobicContact CD1-CG1 4.33Å; I319-V341 HydrophobicContact CG2-CG1 3.64Å; I319-F343 HydrophobicContact CB-CD2 4.44Å; I319-F343 HydrophobicContact CG1-CB 4.43Å; I319-F343 HydrophobicContact CG1-CD2 3.58Å; I319-F343 HydrophobicContact CG1-CE2 4.14Å; I319-F343 HydrophobicContact CG1-CG 4.21Å
320	N	98.7	Very high	97.2	Very high	57 Å²	57	54.9 Å²	54.9	31%	0.305	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	160.3	174.9	-62.9	-65	0	0	0	109.7	F254 T255 E342	F254-N320 WeakPolarHBondContact O-CA 3.37Å; T255-N320 WeakPolarHBondContact CB-OD1 3.42Å; T255-N320 VanDerWaalsContact CG2-OD1 3.3Å; T255-N320 WeakPolarHBondContact CG2-OD1 3.38Å; T255-N320 PolarHBondContact OG1-OD1 3.45Å; N320-E342 PolarHBondContact N-O 2.8Å; N320-E342 PolarHBondContact O-N 2.89Å; N320-E342 VanDerWaalsContact O-O 3.11Å
321	G	98.5	Very high	97.1	Very high	6 Å²	6	55.1 Å²	55.1	6%	0.062	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.3	-177.3	177.5	0	0	0	0	0	113.6	P253 F254 K340	P253-G321 CarbonylContact C-O 3.57Å; P253-G321 VanDerWaalsContact CA-O 3.26Å; P253-G321 WeakPolarHBondContact CA-O 3.5Å; F254-G321 PolarHBondContact N-O 2.81Å; F254-G321 PolarHBondContact O-N 3.06Å; G321-K340 CarbonylContact C-O 3.54Å; G321-K340 WeakPolarHBondContact CA-O 3.3Å
322	V	98.8	Very high	96.8	Very high	54 Å²	54	58.6 Å²	58.6	33%	0.327	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	125.6	175.3	-178.8	0	0	0	0	108.2	A252 I339 K340	A252-V322 WeakPolarHBondContact O-CA 3.12Å; V322-I339 WeakPolarHBondContact O-CA 3.26Å; V322-K340 HydrophobicContact CB-CB 4.25Å; V322-K340 PolarHBondContact N-O 3.32Å; V322-K340 PolarHBondContact O-N 2.94Å
323	M	98.7	Very high	96.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.4	171.5	177.7	172.8	-79.6	0	0	109.1	V183 V235 S251 A252 F254 T269 I325 I339	V183-M323 HydrophobicContact CB-CE 4.39Å; V183-M323 HydrophobicContact CG2-CE 3.98Å; V235-M323 HydrophobicContact CG2-SD 4.05Å; S251-M323 CarbonylContact C-O 3.56Å; S251-M323 WeakPolarHBondContact CA-O 3.4Å; A252-M323 PolarHBondContact N-O 2.83Å; A252-M323 PolarHBondContact O-N 2.72Å; F254-M323 HydrophobicContact CD1-CB 4.16Å; F254-M323 HydrophobicContact CE1-CB 4.21Å; T269-M323 HydrophobicContact CG2-CE 3.52Å; T269-M323 HydrophobicContact CG2-SD 3.9Å; M323-I325 HydrophobicContact CG-CG1 4.3Å; M323-I325 HydrophobicContact SD-CD1 4.4Å; M323-I339 HydrophobicContact CE-CD1 3.6Å; M323-I339 HydrophobicContact CE-CG1 4.08Å
324	S	98.7	Very high	96.3	Very high	26 Å²	26	59.6 Å²	59.6	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.1	177.8	-54.3	0	0	0	0	110.2	F250 S251 I337 N338	F250-S324 CarbonylContact O-C 3.44Å; F250-S324 VanDerWaalsContact O-CA 3.22Å; F250-S324 WeakPolarHBondContact O-CA 3.25Å; S251-S324 VanDerWaalsContact CB-OG 3.31Å; S251-S324 WeakPolarHBondContact CB-OG 3.28Å; S251-S324 VanDerWaalsContact OG-CB 3.3Å; S251-S324 WeakPolarHBondContact OG-CB 3.42Å; S251-S324 PolarHBondContact OG-OG 2.86Å; S324-I337 WeakPolarHBondContact O-CA 3.47Å; S324-N338 PolarHBondContact N-O 3.03Å; S324-N338 PolarHBondContact O-N 2.83Å
325	I	98.2	Very high	96.3	Very high	3 Å²	3	57 Å²	57	2%	0.015	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.6	179.4	-57.3	-172.6	0	0	0	108.5	L181 T249 F250 M323 L335 I337	L181-I325 HydrophobicContact CD2-CD1 3.91Å; T249-I325 WeakPolarHBondContact CA-O 3.39Å; F250-I325 HydrophobicContact CD1-CB 4.4Å; F250-I325 HydrophobicContact CE1-CB 3.83Å; F250-I325 HydrophobicContact CE1-CD1 4.2Å; F250-I325 HydrophobicContact CE1-CG1 4.25Å; F250-I325 HydrophobicContact CZ-CB 4.05Å; F250-I325 HydrophobicContact CZ-CD1 3.77Å; F250-I325 HydrophobicContact CZ-CG1 3.94Å; F250-I325 PolarHBondContact N-O 3.22Å; F250-I325 PolarHBondContact O-N 2.89Å; M323-I325 HydrophobicContact CG-CG1 4.3Å; M323-I325 HydrophobicContact SD-CD1 4.4Å; I325-L335 HydrophobicContact CG2-CD1 4.31Å; I325-L335 HydrophobicContact CG2-CD2 4.06Å; I325-I337 HydrophobicContact CG1-CG1 4.29Å; I325-I337 HydrophobicContact CG1-CG2 4.33Å; I325-I337 HydrophobicContact CG2-CG1 4.48Å
326	K	97.2	Very high	96.2	Very high	83 Å²	83	51.1 Å²	51.1	36%	0.361	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.8	171.1	67.2	175.8	-175.6	165.2	0	111.2	T249 E329 D336	T249-K326 HydrophobicContact CG2-CB 3.68Å; K326-E329 IonicContact NZ-OE1 3.6Å; K326-D336 HydrophobicContact CG-CB 4.04Å; K326-D336 PolarHBondContact N-O 2.89Å; K326-D336 PolarHBondContact O-N 2.8Å
327	P	95.7	Very high	96.2	Very high	43 Å²	43	49 Å²	49	28%	0.279	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	143.4	166.8	-20.6	32.5	0	0	0	111	T249	T249-P327 VanDerWaalsContact OG1-CD 3.3Å; T249-P327 WeakPolarHBondContact OG1-CD 3.33Å
328	N	94.6	Very high	96.2	Very high	14 Å²	14	49.5 Å²	49.5	8%	0.075	24%	0.239	C	C	.	.			trans	-69	143	174.9	-176.8	-87.7	0	0	0	111.2	R330 N331 D334 D336 R357	N328-R330 VanDerWaalsContact C-N 3.32Å; N328-R330 PolarHBondContact O-N 2.66Å; N328-R330 WeakPolarHBondContact OD1-CB 3.31Å; N328-R330 PolarHBondContact OD1-N 3.24Å; N328-N331 WeakPolarHBondContact CB-O 3.46Å; N328-N331 CarbonylContact O-C 3.6Å; N328-N331 PolarHBondContact OD1-N 2.85Å; N328-D334 HydrophobicContact CB-CB 3.78Å; N328-D334 PolarHBondContact N-O 2.88Å; N328-D336 VanDerWaalsContact ND2-CG 3.28Å; N328-D336 PolarHBondContact ND2-OD1 2.7Å; N328-D336 PolarHBondContact ND2-OD2 2.89Å; N328-R357 PolarHBondContact ND2-NE 2.83Å
329	E	91.9	Very high	96.2	Very high	169 Å²	169	44.6 Å²	44.6	79%	0.79	22%	0.216	S	C	*	.	S	Bend	trans	-68.1	-27.7	-176.6	-68.5	173.8	-165.4	0	0	113.7	K326	K326-E329 IonicContact NZ-OE1 3.6Å
330	R	91.9	Very high	96.2	Very high	241 Å²	241	46.9 Å²	46.9	91%	0.909	23%	0.226	S	C	*	.	S	Bend	trans	-87.9	-40.6	179.7	-62.8	-177.2	178.1	-177.3	-0.8	112.2	N328	N328-R330 VanDerWaalsContact C-N 3.32Å; N328-R330 PolarHBondContact O-N 2.66Å; N328-R330 WeakPolarHBondContact OD1-CB 3.31Å; N328-R330 PolarHBondContact OD1-N 3.24Å
331	N	91.6	Very high	96.2	Very high	27 Å²	27	44.1 Å²	44.1	14%	0.144	21%	0.211	C	C	.	.			trans	-133.3	108.8	177.3	-175.9	13.5	0	0	0	109.7	N328 R333 D334	N328-N331 WeakPolarHBondContact CB-O 3.46Å; N328-N331 CarbonylContact O-C 3.6Å; N328-N331 PolarHBondContact OD1-N 2.85Å; N331-R333 PolarHBondContact O-N 2.88Å; N331-R333 PolarHBondContact OD1-N 2.85Å; N331-D334 HydrophobicContact CB-CB 4.47Å; N331-D334 PolarHBondContact ND2-OD1 2.83Å; N331-D334 PolarHBondContact O-N 3.19Å
332	N	91.6	Very high	96.2	Very high	76 Å²	76	48.3 Å²	48.3	41%	0.406	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-7	-176.6	70.1	-39.6	0	0	0	114.3	S155	S155-N332 WeakPolarHBondContact CB-O 3.37Å; S155-N332 PolarHBondContact OG-O 3.18Å
333	R	91.1	Very high	96.1	Very high	38 Å²	38	46 Å²	46	14%	0.143	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-23.3	172.1	-63.5	-166.1	176.9	-80	9	113.1	Y34 F35 E154 N331	Y34-R333 VanDerWaalsContact CE1-CZ 3.44Å; F35-R333 VanDerWaalsContact CE1-NH2 3.31Å; E154-R333 WeakPolarHBondContact CA-O 3.34Å; E154-R333 PolarHBondContact N-O 2.83Å; E154-R333 VanDerWaalsContact N-O 3.09Å; E154-R333 PolarHBondContact O-NH1 2.7Å; N331-R333 PolarHBondContact O-N 2.88Å; N331-R333 PolarHBondContact OD1-N 2.85Å
334	D	94.7	Very high	96.1	Very high	22 Å²	22	54.6 Å²	54.6	12%	0.118	26%	0.255	C	S	.	.	S	Bend	trans	-82	155.2	175.8	-56.2	2.5	0	0	0	109.2	N328 N331 M358	N328-D334 HydrophobicContact CB-CB 3.78Å; N328-D334 PolarHBondContact N-O 2.88Å; N331-D334 HydrophobicContact CB-CB 4.47Å; N331-D334 PolarHBondContact ND2-OD1 2.83Å; N331-D334 PolarHBondContact O-N 3.19Å; D334-M358 WeakPolarHBondContact CA-O 2.9Å; D334-M358 VanDerWaalsContact CB-O 3.32Å; D334-M358 WeakPolarHBondContact CB-O 3.37Å
335	L	96.9	Very high	96	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.4	175.9	-63	177.1	0	0	0	110.9	F152 I325 I337 R357 M358	F152-L335 HydrophobicContact CB-CD1 4.16Å; F152-L335 HydrophobicContact CB-CD2 4.44Å; I325-L335 HydrophobicContact CG2-CD1 4.31Å; I325-L335 HydrophobicContact CG2-CD2 4.06Å; L335-I337 HydrophobicContact CB-CD1 4.29Å; L335-I337 HydrophobicContact CB-CG1 4.12Å; L335-R357 WeakPolarHBondContact O-CA 3.4Å; L335-M358 HydrophobicContact CB-CB 4.3Å; L335-M358 PolarHBondContact N-O 2.85Å; L335-M358 PolarHBondContact O-N 2.81Å
336	D	98	Very high	95.9	Very high	27 Å²	27	60.6 Å²	60.6	14%	0.144	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.4	161.5	-67.3	-38.5	0	0	0	108.2	K326 N328 R357	K326-D336 HydrophobicContact CG-CB 4.04Å; K326-D336 PolarHBondContact N-O 2.89Å; K326-D336 PolarHBondContact O-N 2.8Å; N328-D336 VanDerWaalsContact ND2-CG 3.28Å; N328-D336 PolarHBondContact ND2-OD1 2.7Å; N328-D336 PolarHBondContact ND2-OD2 2.89Å; D336-R357 IonicContact OD1-CZ 2.75Å; D336-R357 IonicContact OD1-NE 3.81Å; D336-R357 PolarHBondContact OD1-NE 2.97Å; D336-R357 IonicContact OD1-NH2 2.91Å
337	I	98.4	Very high	95.9	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.3	-175.9	-57.2	167.5	0	0	0	108.3	P218 F301 S324 I325 L335 I339 Y356	P218-I337 HydrophobicContact CG-CD1 4.49Å; F301-I337 HydrophobicContact CE1-CB 4.32Å; F301-I337 HydrophobicContact CE1-CD1 3.67Å; F301-I337 HydrophobicContact CE1-CG2 3.85Å; F301-I337 HydrophobicContact CZ-CD1 3.89Å; F301-I337 HydrophobicContact CZ-CG2 4.39Å; S324-I337 WeakPolarHBondContact O-CA 3.47Å; I325-I337 HydrophobicContact CG1-CG1 4.29Å; I325-I337 HydrophobicContact CG1-CG2 4.33Å; I325-I337 HydrophobicContact CG2-CG1 4.48Å; L335-I337 HydrophobicContact CB-CD1 4.29Å; L335-I337 HydrophobicContact CB-CG1 4.12Å; I337-I339 HydrophobicContact CG2-CD1 4.35Å; I337-I339 HydrophobicContact CG2-CG1 4.05Å; I337-Y356 PolarHBondContact N-O 2.8Å; I337-Y356 PolarHBondContact O-N 2.63Å
338	N	98.2	Very high	95.9	Very high	46 Å²	46	61.1 Å²	61.1	25%	0.246	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.9	175.8	-179.1	-83.1	0	0	0	109.1	S324 T353 F354 N355	S324-N338 PolarHBondContact N-O 3.03Å; S324-N338 PolarHBondContact O-N 2.83Å; N338-T353 WeakPolarHBondContact ND2-CG2 3.42Å; N338-T353 WeakPolarHBondContact OD1-CG2 3.46Å; N338-F354 WeakPolarHBondContact CA-O 2.99Å; N338-N355 PolarHBondContact ND2-OD1 2.94Å
339	I	98.5	Very high	96	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	109.1	178.7	-50.1	-178.3	0	0	0	108.8	F254 L267 F301 V322 M323 I337 V341 T353 F354 Y356	F254-I339 HydrophobicContact CE1-CG2 3.95Å; F254-I339 HydrophobicContact CZ-CG2 3.99Å; L267-I339 HydrophobicContact CD1-CD1 4.38Å; L267-I339 HydrophobicContact CD1-CG2 3.74Å; F301-I339 HydrophobicContact CB-CD1 3.99Å; F301-I339 HydrophobicContact CD1-CD1 3.86Å; F301-I339 HydrophobicContact CD2-CD1 4.32Å; F301-I339 HydrophobicContact CE1-CD1 4.42Å; F301-I339 HydrophobicContact CG-CD1 3.8Å; V322-I339 WeakPolarHBondContact O-CA 3.26Å; M323-I339 HydrophobicContact CE-CD1 3.6Å; M323-I339 HydrophobicContact CE-CG1 4.08Å; I337-I339 HydrophobicContact CG2-CD1 4.35Å; I337-I339 HydrophobicContact CG2-CG1 4.05Å; I339-V341 HydrophobicContact CG2-CG2 3.86Å; I339-T353 WeakPolarHBondContact O-CA 3.3Å; I339-F354 PolarHBondContact N-O 3.29Å; I339-F354 PolarHBondContact O-N 2.75Å; I339-Y356 HydrophobicContact CB-CE2 4.28Å; I339-Y356 HydrophobicContact CD1-CD2 4.17Å; I339-Y356 HydrophobicContact CD1-CE2 3.72Å; I339-Y356 HydrophobicContact CG1-CD2 4.24Å; I339-Y356 HydrophobicContact CG1-CE2 3.94Å
340	K	98.3	Very high	96.1	Very high	47 Å²	47	56.8 Å²	56.8	20%	0.204	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	129.3	164.8	-179.1	71.1	-176.6	-177.2	0	108.6	G321 V322 E342 D351 T353	G321-K340 CarbonylContact C-O 3.54Å; G321-K340 WeakPolarHBondContact CA-O 3.3Å; V322-K340 HydrophobicContact CB-CB 4.25Å; V322-K340 PolarHBondContact N-O 3.32Å; V322-K340 PolarHBondContact O-N 2.94Å; K340-E342 WeakPolarHBondContact CE-OE1 3.42Å; K340-E342 HydrophobicContact CG-CG 4.34Å; K340-D351 WeakPolarHBondContact CE-OD1 2.99Å; K340-D351 IonicContact NZ-OD1 2.55Å; K340-D351 PolarHBondContact NZ-OD1 2.79Å; K340-T353 WeakPolarHBondContact CD-OG1 3.1Å
341	V	98.3	Very high	96.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128	175	-175.8	0	0	0	0	108.9	L267 L303 L311 I319 I339 I350 D351 T352 F354	L267-V341 HydrophobicContact CD1-CG2 4.26Å; L303-V341 HydrophobicContact CD2-CG2 3.99Å; L311-V341 HydrophobicContact CD1-CG1 4.47Å; I319-V341 HydrophobicContact CG2-CG1 3.64Å; I339-V341 HydrophobicContact CG2-CG2 3.86Å; V341-I350 HydrophobicContact CB-CG2 4.3Å; V341-I350 HydrophobicContact CG1-CG2 3.76Å; V341-D351 WeakPolarHBondContact O-CA 3.22Å; V341-T352 PolarHBondContact N-O 3.17Å; V341-T352 PolarHBondContact O-N 2.73Å; V341-F354 HydrophobicContact CB-CE2 4.27Å; V341-F354 HydrophobicContact CG2-CD2 4.1Å; V341-F354 HydrophobicContact CG2-CE2 4.09Å
342	E	98	Very high	96.6	Very high	94 Å²	94	50.8 Å²	50.8	44%	0.439	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	115.8	178.3	-68.2	171.5	-177.7	0	0	108.1	N320 K340 I350	N320-E342 PolarHBondContact N-O 2.8Å; N320-E342 PolarHBondContact O-N 2.89Å; N320-E342 VanDerWaalsContact O-O 3.11Å; K340-E342 WeakPolarHBondContact CE-OE1 3.42Å; K340-E342 HydrophobicContact CG-CG 4.34Å; E342-I350 WeakPolarHBondContact CA-O 3.44Å
343	F	98.1	Very high	96.9	Very high	6 Å²	6	50 Å²	50	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	131	179.7	176.7	-111	0	0	0	109.5	L311 V313 E317 Q318 I319 S348 S349 I350	L311-F343 HydrophobicContact CB-CD1 4.44Å; L311-F343 HydrophobicContact CD1-CB 4.34Å; L311-F343 HydrophobicContact CD1-CD1 4.42Å; L311-F343 HydrophobicContact CD1-CG 4.38Å; L311-F343 HydrophobicContact CD2-CD1 4.2Å; V313-F343 HydrophobicContact CB-CZ 4.16Å; V313-F343 HydrophobicContact CG1-CE1 4.01Å; V313-F343 HydrophobicContact CG1-CE2 3.99Å; V313-F343 HydrophobicContact CG1-CZ 3.56Å; E317-F343 HydrophobicContact CB-CE2 3.94Å; E317-F343 HydrophobicContact CB-CZ 4.4Å; E317-F343 WeakPolarHBondContact OE2-CZ 3.42Å; Q318-F343 WeakPolarHBondContact O-CD2 3.29Å; I319-F343 HydrophobicContact CB-CD2 4.44Å; I319-F343 HydrophobicContact CG1-CB 4.43Å; I319-F343 HydrophobicContact CG1-CD2 3.58Å; I319-F343 HydrophobicContact CG1-CE2 4.14Å; I319-F343 HydrophobicContact CG1-CG 4.21Å; F343-S348 WeakPolarHBondContact CD1-O 3.36Å; F343-S348 WeakPolarHBondContact CE1-O 3.37Å; F343-S348 WeakPolarHBondContact CE1-OG 3.49Å; F343-S349 CarbonylContact O-C 3.41Å; F343-S349 WeakPolarHBondContact O-CA 3.16Å; F343-S349 WeakPolarHBondContact O-CB 3.43Å; F343-I350 HydrophobicContact CB-CG2 3.91Å; F343-I350 PolarHBondContact N-O 2.96Å; F343-I350 PolarHBondContact O-N 3.07Å
344	E	97.7	Very high	97.2	Very high	180 Å²	180	48.8 Å²	48.8	84%	0.841	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	90.9	172.4	-170.2	175.7	-173.7	0	0	107.7
345	G	97.1	Very high	97.3	Very high	19 Å²	19	52.8 Å²	52.8	20%	0.196	28%	0.282	C	S	.	.			trans	-102.4	176.2	178	0	0	0	0	0	112.7	E317 L347 S348	E317-G345 WeakPolarHBondContact OE1-CA 3.3Å; G345-L347 VanDerWaalsContact C-N 3.27Å; G345-L347 PolarHBondContact O-N 2.84Å; G345-S348 WeakPolarHBondContact CA-O 3.48Å; G345-S348 PolarHBondContact N-O 2.87Å
346	E	97.3	Very high	97.3	Very high	135 Å²	135	53.1 Å²	53.1	63%	0.631	28%	0.283	S	S	*	.	S	Bend	trans	-64.5	-31.8	177.5	-174.8	-178.2	129	0	0	112.6	K314 E317	K314-E346 HydrophobicContact CD-CB 4Å; K314-E346 HydrophobicContact CD-CG 4.39Å; K314-E346 WeakPolarHBondContact CD-OE2 3.32Å; K314-E346 IonicContact NZ-OE1 2.8Å; K314-E346 PolarHBondContact NZ-OE1 2.8Å; K314-E346 IonicContact NZ-OE2 2.63Å; K314-E346 PolarHBondContact NZ-OE2 2.97Å; E317-E346 PolarHBondContact OE1-N 3.04Å
347	L	96.8	Very high	97.3	Very high	108 Å²	108	57.2 Å²	57.2	57%	0.565	30%	0.296	S	S	*	.	S	Bend	trans	-112.5	-18.5	-169.6	-60.4	178.8	0	0	0	114.4	T312 K314 G345	T312-L347 HydrophobicContact CG2-CB 3.83Å; T312-L347 HydrophobicContact CG2-CD1 3.74Å; T312-L347 HydrophobicContact CG2-CG 4.45Å; K314-L347 HydrophobicContact CD-CD1 4.37Å; K314-L347 HydrophobicContact CD-CG 4.48Å; K314-L347 HydrophobicContact CG-CD1 4.28Å; G345-L347 VanDerWaalsContact C-N 3.27Å; G345-L347 PolarHBondContact O-N 2.84Å
348	S	95.7	Very high	97.1	Very high	29 Å²	29	57.7 Å²	57.7	20%	0.203	30%	0.299	C	S	.	.			trans	-157.2	157.8	176	61	0	0	0	0	110.5	T312 F343 G345	T312-S348 PolarHBondContact N-OG 3.33Å; T312-S348 PolarHBondContact O-OG 2.99Å; T312-S348 VanDerWaalsContact O-OG 3.07Å; F343-S348 WeakPolarHBondContact CD1-O 3.36Å; F343-S348 WeakPolarHBondContact CE1-O 3.37Å; F343-S348 WeakPolarHBondContact CE1-OG 3.49Å; G345-S348 WeakPolarHBondContact CA-O 3.48Å; G345-S348 PolarHBondContact N-O 2.87Å
349	S	95.4	Very high	96.7	Very high	80 Å²	80	63.7 Å²	63.7	56%	0.559	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135	150.5	171.1	56.4	0	0	0	0	110.2	F343	F343-S349 CarbonylContact O-C 3.41Å; F343-S349 WeakPolarHBondContact O-CA 3.16Å; F343-S349 WeakPolarHBondContact O-CB 3.43Å
350	I	95.6	Very high	96.7	Very high	12 Å²	12	66.9 Å²	66.9	6%	0.062	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	143.2	172.1	-151.5	175.2	0	0	0	109.7	L311 V341 E342 F343 F354	L311-I350 HydrophobicContact CD2-CB 3.72Å; L311-I350 HydrophobicContact CD2-CD1 4.07Å; L311-I350 HydrophobicContact CD2-CG1 4.47Å; L311-I350 HydrophobicContact CD2-CG2 3.67Å; V341-I350 HydrophobicContact CB-CG2 4.3Å; V341-I350 HydrophobicContact CG1-CG2 3.76Å; E342-I350 WeakPolarHBondContact CA-O 3.44Å; F343-I350 HydrophobicContact CB-CG2 3.91Å; F343-I350 PolarHBondContact N-O 2.96Å; F343-I350 PolarHBondContact O-N 3.07Å; I350-F354 HydrophobicContact CD1-CE2 4.27Å; I350-F354 HydrophobicContact CD1-CZ 3.93Å
351	D	96.3	Very high	96.6	Very high	109 Å²	109	67.9 Å²	67.9	58%	0.583	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.2	84.6	168.3	-176.4	-0.1	0	0	0	107.3	K340 V341	K340-D351 WeakPolarHBondContact CE-OD1 2.99Å; K340-D351 IonicContact NZ-OD1 2.55Å; K340-D351 PolarHBondContact NZ-OD1 2.79Å; V341-D351 WeakPolarHBondContact O-CA 3.22Å
352	T	96.9	Very high	96.5	Very high	33 Å²	33	71.7 Å²	71.7	20%	0.202	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	147.1	-167.7	-65.9	0	0	0	0	112	N305 V341 F354	N305-T352 HydrophobicContact CB-CG2 4.16Å; V341-T352 PolarHBondContact N-O 3.17Å; V341-T352 PolarHBondContact O-N 2.73Å; T352-F354 HydrophobicContact CG2-CD2 4.25Å; T352-F354 HydrophobicContact CG2-CE1 4.15Å; T352-F354 HydrophobicContact CG2-CE2 3.8Å; T352-F354 HydrophobicContact CG2-CZ 3.75Å
353	T	97.2	Very high	96.4	Very high	60 Å²	60	70.4 Å²	70.4	37%	0.368	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.2	173.6	-62.8	0	0	0	0	109.8	N338 I339 K340	N338-T353 WeakPolarHBondContact ND2-CG2 3.42Å; N338-T353 WeakPolarHBondContact OD1-CG2 3.46Å; I339-T353 WeakPolarHBondContact O-CA 3.3Å; K340-T353 WeakPolarHBondContact CD-OG1 3.1Å
354	F	97.3	Very high	96.3	Very high	13 Å²	13	74.4 Å²	74.4	6%	0.057	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.3	175.7	-58.9	-91.1	0	0	0	110.1	L303 N305 N338 I339 V341 I350 T352 Y356	L303-F354 HydrophobicContact CB-CE2 4.5Å; L303-F354 HydrophobicContact CB-CZ 4.13Å; L303-F354 HydrophobicContact CD2-CD2 3.91Å; L303-F354 HydrophobicContact CD2-CE2 3.82Å; L303-F354 HydrophobicContact CD2-CG 4.4Å; L303-F354 HydrophobicContact CD2-CZ 4.24Å; N305-F354 HydrophobicContact CB-CE1 4.02Å; N305-F354 HydrophobicContact CB-CZ 4.48Å; N338-F354 WeakPolarHBondContact CA-O 2.99Å; I339-F354 PolarHBondContact N-O 3.29Å; I339-F354 PolarHBondContact O-N 2.75Å; V341-F354 HydrophobicContact CB-CE2 4.27Å; V341-F354 HydrophobicContact CG2-CD2 4.1Å; V341-F354 HydrophobicContact CG2-CE2 4.09Å; I350-F354 HydrophobicContact CD1-CE2 4.27Å; I350-F354 HydrophobicContact CD1-CZ 3.93Å; T352-F354 HydrophobicContact CG2-CD2 4.25Å; T352-F354 HydrophobicContact CG2-CE1 4.15Å; T352-F354 HydrophobicContact CG2-CE2 3.8Å; T352-F354 HydrophobicContact CG2-CZ 3.75Å; F354-Y356 HydrophobicContact CB-CD2 4.32Å; F354-Y356 HydrophobicContact CB-CE2 3.38Å; F354-Y356 WeakPolarHBondContact CB-OH 3.14Å; F354-Y356 HydrophobicContact CG-CE2 4.45Å
355	N	97.3	Very high	96.2	Very high	106 Å²	106	67.3 Å²	67.3	57%	0.567	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	124	178.2	-63.8	-80.3	0	0	0	108.9	N338	N338-N355 PolarHBondContact ND2-OD1 2.94Å
356	Y	97.8	Very high	96.1	Very high	10 Å²	10	70.8 Å²	70.8	4%	0.039	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	155.6	179.6	-50	-89.9	0	0	0	110.7	L215 T216 P218 F301 Y302 I337 I339 F354	L215-Y356 WeakPolarHBondContact O-CD1 3.47Å; L215-Y356 VanDerWaalsContact O-CE1 3.3Å; L215-Y356 WeakPolarHBondContact O-CE1 3.37Å; T216-Y356 CarbonylContact O-C 3.53Å; T216-Y356 WeakPolarHBondContact O-CA 3.35Å; T216-Y356 WeakPolarHBondContact O-CB 3.36Å; P218-Y356 HydrophobicContact CG-CG 4.41Å; F301-Y356 HydrophobicContact CB-CE1 4.16Å; F301-Y356 HydrophobicContact CB-CE2 4.1Å; F301-Y356 HydrophobicContact CD1-CD1 4.14Å; F301-Y356 AromaticContact CD1-CD2 3.7Å; F301-Y356 HydrophobicContact CD1-CD2 3.7Å; F301-Y356 HydrophobicContact CD1-CE1 4.37Å; F301-Y356 AromaticContact CD1-CE2 3.95Å; F301-Y356 HydrophobicContact CD1-CE2 3.95Å; F301-Y356 AromaticContact CD1-CG 3.8Å; F301-Y356 HydrophobicContact CD1-CG 3.8Å; F301-Y356 HydrophobicContact CE1-CD2 4.4Å; F301-Y356 HydrophobicContact CE1-CG 4.44Å; F301-Y356 HydrophobicContact CG-CE2 4.46Å; Y302-Y356 PolarHBondContact O-OH 3.21Å; I337-Y356 PolarHBondContact N-O 2.8Å; I337-Y356 PolarHBondContact O-N 2.63Å; I339-Y356 HydrophobicContact CB-CE2 4.28Å; I339-Y356 HydrophobicContact CD1-CD2 4.17Å; I339-Y356 HydrophobicContact CD1-CE2 3.72Å; I339-Y356 HydrophobicContact CG1-CD2 4.24Å; I339-Y356 HydrophobicContact CG1-CE2 3.94Å; F354-Y356 HydrophobicContact CB-CD2 4.32Å; F354-Y356 HydrophobicContact CB-CE2 3.38Å; F354-Y356 WeakPolarHBondContact CB-OH 3.14Å; F354-Y356 HydrophobicContact CG-CE2 4.45Å
357	R	96.5	Very high	96	Very high	113 Å²	113	65.8 Å²	65.8	43%	0.426	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	122.6	171	-174	173.7	-67.2	150.6	4.4	109.9	T216 P218 N328 L335 D336 R359	T216-R357 PolarHBondContact O-N 3.38Å; P218-R357 WeakPolarHBondContact CD-O 3.41Å; N328-R357 PolarHBondContact ND2-NE 2.83Å; L335-R357 WeakPolarHBondContact O-CA 3.4Å; D336-R357 IonicContact OD1-CZ 2.75Å; D336-R357 IonicContact OD1-NE 3.81Å; D336-R357 PolarHBondContact OD1-NE 2.97Å; D336-R357 IonicContact OD1-NH2 2.91Å; R357-R359 HydrophobicContact CG-CB 4.48Å
358	M	95.6	Very high	96	Very high	11 Å²	11	62.3 Å²	62.3	5%	0.054	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.7	169.5	-172.3	175.4	-79.9	0	0	107.8	C150 Y153 P218 V220 T299 D334 L335	C150-M358 HydrophobicContact CB-CE 4.04Å; C150-M358 HydrophobicContact CB-SD 4.37Å; Y153-M358 HydrophobicContact CD1-SD 4.38Å; Y153-M358 HydrophobicContact CD2-CB 4.24Å; Y153-M358 HydrophobicContact CD2-CG 3.55Å; Y153-M358 HydrophobicContact CD2-SD 3.69Å; Y153-M358 HydrophobicContact CE2-CB 4.49Å; Y153-M358 HydrophobicContact CE2-CG 3.78Å; Y153-M358 HydrophobicContact CE2-SD 4.45Å; Y153-M358 HydrophobicContact CG-CG 4.09Å; Y153-M358 HydrophobicContact CG-SD 3.65Å; P218-M358 HydrophobicContact CB-CE 3.98Å; P218-M358 HydrophobicContact CG-CB 4.47Å; P218-M358 HydrophobicContact CG-CE 4.3Å; V220-M358 HydrophobicContact CG2-CE 4.33Å; T299-M358 HydrophobicContact CG2-CE 3.32Å; D334-M358 WeakPolarHBondContact CA-O 2.9Å; D334-M358 VanDerWaalsContact CB-O 3.32Å; D334-M358 WeakPolarHBondContact CB-O 3.37Å; L335-M358 HydrophobicContact CB-CB 4.3Å; L335-M358 PolarHBondContact N-O 2.85Å; L335-M358 PolarHBondContact O-N 2.81Å
359	R	90.1	Very high	96	Very high	172 Å²	172	65.4 Å²	65.4	65%	0.649	32%	0.324	S	S	*	.			trans	-134.1	0	-170	58.2	-179.1	177.8	169.3	1	111.1	Y153 E217 R357	Y153-R359 PolarHBondContact OH-O 2.69Å; Y153-R359 PolarHBondContact OH-OXT 2.91Å; E217-R359 IonicContact OE1-CZ 3.51Å; E217-R359 IonicContact OE1-NE 2.97Å; E217-R359 PolarHBondContact OE1-NE 2.8Å; E217-R359 IonicContact OE1-NH2 2.86Å; E217-R359 PolarHBondContact OE1-NH2 2.55Å; R357-R359 HydrophobicContact CG-CB 4.48Å

Retrieved 359 of 359 residues in 392.3 ms (Link to these results)

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