A0A096MFI8_POEFO Loading...

Adenosylhomocysteinase like 2

AlphaFold DB , UniProt , Accession A0A096MFI8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 606 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	39.3	Very low	41.4	Very low	130 Å²	130	51.6 Å²	51.6	64%	0.64	29%	0.285	S	S	*	.				0	154.9	0	-65	179.5	-175.1	0	0	107.4	V5 V6	M1-V5 HydrophobicContact CB-CB 4.31Å; M1-V5 HydrophobicContact CB-CG1 4.34Å; M1-V5 HydrophobicContact SD-CG1 3.88Å; M1-V6 HydrophobicContact CB-CG2 4.25Å
2	S	36.2	Very low	40.8	Very low	30 Å²	30	56.7 Å²	56.7	21%	0.21	31%	0.305	C	S	.	.			trans	-66.4	150.1	172.5	60.4	0	0	0	0	110.4	Q4 V5 V6	S2-Q4 PolarHBondContact O-N 3.29Å; S2-V5 WeakPolarHBondContact O-CA 3.04Å; S2-V5 WeakPolarHBondContact O-CB 3.36Å; S2-V5 PolarHBondContact O-N 3.01Å; S2-V6 PolarHBondContact O-N 3.3Å; S2-V6 VanDerWaalsContact O-N 3.16Å
3	V	44.8	Very low	40.7	Very low	7 Å²	7	58.5 Å²	58.5	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-68.1	-17.8	-176.9	-174	0	0	0	0	112.4	V5 V6 A7 I543 E544 M564	V3-V5 VanDerWaalsContact C-N 3.3Å; V3-V5 PolarHBondContact O-N 3.4Å; V3-V6 PolarHBondContact O-N 3.02Å; V3-A7 WeakPolarHBondContact O-CB 3.34Å; V3-A7 PolarHBondContact O-N 3.4Å; V3-I543 HydrophobicContact CG2-CG2 3.81Å; V3-E544 HydrophobicContact CG2-CB 4.04Å; V3-M564 HydrophobicContact CB-SD 4.39Å; V3-M564 HydrophobicContact CG1-CE 3.79Å; V3-M564 HydrophobicContact CG1-SD 3.91Å
4	Q	40.6	Very low	40.7	Very low	133 Å²	133	59.1 Å²	59.1	62%	0.621	32%	0.319	S	S	*	.	H	α-helix	trans	-62.9	-34.7	166.8	-73.9	169.8	-56.3	0	0	112.7	S2 A8	S2-Q4 PolarHBondContact O-N 3.29Å; Q4-A8 WeakPolarHBondContact O-CB 3.46Å; Q4-A8 PolarHBondContact O-N 3.41Å
5	V	42.3	Very low	40.3	Very low	64 Å²	64	60.1 Å²	60.1	39%	0.388	32%	0.324	S	S	.	.	H	α-helix	trans	-76.1	-38.7	173.2	176.6	0	0	0	0	111.1	M1 S2 V3 K9	M1-V5 HydrophobicContact CB-CB 4.31Å; M1-V5 HydrophobicContact CB-CG1 4.34Å; M1-V5 HydrophobicContact SD-CG1 3.88Å; S2-V5 WeakPolarHBondContact O-CA 3.04Å; S2-V5 WeakPolarHBondContact O-CB 3.36Å; S2-V5 PolarHBondContact O-N 3.01Å; V3-V5 VanDerWaalsContact C-N 3.3Å; V3-V5 PolarHBondContact O-N 3.4Å; V5-K9 HydrophobicContact CG1-CD 4.46Å; V5-K9 WeakPolarHBondContact O-CB 3.44Å; V5-K9 WeakPolarHBondContact O-CG 3.5Å; V5-K9 PolarHBondContact O-N 3.26Å
6	V	44.5	Very low	39.8	Very low	13 Å²	13	64.8 Å²	64.8	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-65.1	-49.2	176.9	-177.2	0	0	0	0	110.6	M1 S2 V3 A8 K9 M10	M1-V6 HydrophobicContact CB-CG2 4.25Å; S2-V6 PolarHBondContact O-N 3.3Å; S2-V6 VanDerWaalsContact O-N 3.16Å; V3-V6 PolarHBondContact O-N 3.02Å; V6-A8 PolarHBondContact O-N 2.69Å; V6-K9 PolarHBondContact O-N 3.36Å; V6-M10 HydrophobicContact CG1-CE 3.71Å; V6-M10 HydrophobicContact CG1-CG 4.37Å; V6-M10 HydrophobicContact CG1-SD 3.86Å; V6-M10 WeakPolarHBondContact O-CB 3.48Å; V6-M10 VanDerWaalsContact O-CG 3.23Å; V6-M10 WeakPolarHBondContact O-CG 3.37Å; V6-M10 PolarHBondContact O-N 3.07Å
7	A	43.5	Very low	39.5	Very low	12 Å²	12	67.9 Å²	67.9	10%	0.099	36%	0.357	C	S	.	.	H	α-helix	trans	-66.6	-33.6	177.1	0	0	0	0	0	113	V3 A11	V3-A7 WeakPolarHBondContact O-CB 3.34Å; V3-A7 PolarHBondContact O-N 3.4Å; A7-A11 WeakPolarHBondContact O-CB 3.32Å; A7-A11 PolarHBondContact O-N 3.42Å
8	A	38.1	Very low	39.4	Very low	41 Å²	41	70.6 Å²	70.6	34%	0.339	38%	0.376	S	S	.	.	H	α-helix	trans	-64.8	-50.8	171.7	0	0	0	0	0	111.3	Q4 V6 M10 A11 E12	Q4-A8 WeakPolarHBondContact O-CB 3.46Å; Q4-A8 PolarHBondContact O-N 3.41Å; V6-A8 PolarHBondContact O-N 2.69Å; A8-M10 VanDerWaalsContact C-N 3.33Å; A8-M10 PolarHBondContact O-N 3.27Å; A8-A11 PolarHBondContact O-N 2.95Å; A8-E12 WeakPolarHBondContact O-CG 3.39Å; A8-E12 PolarHBondContact O-N 3Å
9	K	42.5	Very low	38.9	Very low	79 Å²	79	71.8 Å²	71.8	34%	0.343	39%	0.391	S	S	.	.	H	α-helix	trans	-58.7	-41.7	174	-77	179.8	167.6	-168.9	0	112.6	V5 V6 E12 V13 E216	V5-K9 HydrophobicContact CG1-CD 4.46Å; V5-K9 WeakPolarHBondContact O-CB 3.44Å; V5-K9 WeakPolarHBondContact O-CG 3.5Å; V5-K9 PolarHBondContact O-N 3.26Å; V6-K9 PolarHBondContact O-N 3.36Å; K9-E12 PolarHBondContact O-N 3.4Å; K9-V13 WeakPolarHBondContact O-CG2 3.43Å; K9-V13 PolarHBondContact O-N 3.47Å; K9-E216 IonicContact NZ-OE1 2.77Å; K9-E216 PolarHBondContact NZ-OE1 3.19Å
10	M	45.3	Very low	38.6	Very low	33 Å²	33	71.9 Å²	71.9	16%	0.163	40%	0.402	C	S	.	.	H	α-helix	trans	-61.8	-46.1	178.1	-78.3	175.7	167.9	0	0	111.1	V6 A8 V13 E14 Y567	V6-M10 HydrophobicContact CG1-CE 3.71Å; V6-M10 HydrophobicContact CG1-CG 4.37Å; V6-M10 HydrophobicContact CG1-SD 3.86Å; V6-M10 WeakPolarHBondContact O-CB 3.48Å; V6-M10 VanDerWaalsContact O-CG 3.23Å; V6-M10 WeakPolarHBondContact O-CG 3.37Å; V6-M10 PolarHBondContact O-N 3.07Å; A8-M10 VanDerWaalsContact C-N 3.33Å; A8-M10 PolarHBondContact O-N 3.27Å; M10-V13 PolarHBondContact O-N 2.7Å; M10-E14 PolarHBondContact O-N 3.34Å; M10-Y567 HydrophobicContact SD-CE1 3.98Å; M10-Y567 PolarHBondContact SD-OH 2.9Å
11	A	38.6	Very low	38.2	Very low	26 Å²	26	71.2 Å²	71.2	22%	0.215	41%	0.411	C	S	.	.	H	α-helix	trans	-66	-36.3	175.3	0	0	0	0	0	112.9	A7 A8 V13 E14 L15	A7-A11 WeakPolarHBondContact O-CB 3.32Å; A7-A11 PolarHBondContact O-N 3.42Å; A8-A11 PolarHBondContact O-N 2.95Å; A11-V13 VanDerWaalsContact C-N 3.31Å; A11-V13 PolarHBondContact O-N 3.31Å; A11-E14 PolarHBondContact O-N 3.46Å; A11-L15 PolarHBondContact O-N 3.07Å; A11-L15 VanDerWaalsContact O-N 3.07Å
12	E	34.2	Very low	37.8	Very low	112 Å²	112	74.9 Å²	74.9	52%	0.523	42%	0.423	S	S	.	.	H	α-helix	trans	-67	-27.2	174.2	-77.2	-178.4	179.2	0	0	113.8	A8 K9 K16	A8-E12 WeakPolarHBondContact O-CG 3.39Å; A8-E12 PolarHBondContact O-N 3Å; K9-E12 PolarHBondContact O-N 3.4Å; E12-K16 WeakPolarHBondContact O-CD 3.43Å; E12-K16 VanDerWaalsContact O-CG 3.32Å; E12-K16 WeakPolarHBondContact O-CG 3.38Å
13	V	39.6	Very low	37.4	Very low	81 Å²	81	78.2 Å²	78.2	49%	0.491	45%	0.452	S	S	.	.	H	α-helix	trans	-75.9	-43.6	171.4	169.6	0	0	0	0	110.4	K9 M10 A11 L15 K16 D17	K9-V13 WeakPolarHBondContact O-CG2 3.43Å; K9-V13 PolarHBondContact O-N 3.47Å; M10-V13 PolarHBondContact O-N 2.7Å; A11-V13 VanDerWaalsContact C-N 3.31Å; A11-V13 PolarHBondContact O-N 3.31Å; V13-L15 PolarHBondContact O-N 3.43Å; V13-K16 WeakPolarHBondContact O-CA 3.42Å; V13-K16 WeakPolarHBondContact O-CB 3.4Å; V13-K16 PolarHBondContact O-N 2.73Å; V13-D17 PolarHBondContact O-N 3.34Å
14	E	39.7	Very low	36.7	Very low	67 Å²	67	85.4 Å²	85.4	31%	0.313	49%	0.49	S	S	.	.	H	α-helix	trans	-56.8	-46.7	178.9	-144.7	122	-152.4	0	0	111.7	M10 A11 K16 D17 V18 R212	M10-E14 PolarHBondContact O-N 3.34Å; A11-E14 PolarHBondContact O-N 3.46Å; E14-K16 VanDerWaalsContact C-N 3.26Å; E14-K16 PolarHBondContact O-N 3.23Å; E14-D17 PolarHBondContact O-N 3.04Å; E14-V18 WeakPolarHBondContact O-CG2 3.43Å; E14-V18 PolarHBondContact O-N 3.46Å; E14-V18 VanDerWaalsContact O-N 3.07Å; E14-R212 VanDerWaalsContact CD-NH2 3.25Å; E14-R212 IonicContact OE1-CZ 3.6Å; E14-R212 IonicContact OE1-NH1 3.14Å; E14-R212 IonicContact OE1-NH2 3.94Å; E14-R212 PolarHBondContact OE1-NH2 3.48Å; E14-R212 IonicContact OE2-CZ 2.65Å; E14-R212 IonicContact OE2-NH1 2.71Å; E14-R212 PolarHBondContact OE2-NH1 3.27Å; E14-R212 IonicContact OE2-NH2 2.77Å; E14-R212 PolarHBondContact OE2-NH2 2.68Å
15	L	35.4	Very low	36.1	Very low	74 Å²	74	85.1 Å²	85.1	39%	0.387	50%	0.5	S	S	.	.	H	α-helix	trans	-63.5	-26.8	175.1	-75.6	163.4	0	0	0	113.6	A11 V13 S19	A11-L15 PolarHBondContact O-N 3.07Å; A11-L15 VanDerWaalsContact O-N 3.07Å; V13-L15 PolarHBondContact O-N 3.43Å; L15-S19 WeakPolarHBondContact O-CB 3.46Å; L15-S19 PolarHBondContact O-N 3Å; L15-S19 PolarHBondContact O-OG 2.92Å
16	K	32.1	Very low	35.4	Very low	135 Å²	135	86.8 Å²	86.8	59%	0.587	52%	0.52	S	S	*	.	H	α-helix	trans	-81.8	-40.8	177.7	-76.6	171.5	-176.3	164.3	0	112.5	E12 V13 E14 V18 S19 A20	E12-K16 WeakPolarHBondContact O-CD 3.43Å; E12-K16 VanDerWaalsContact O-CG 3.32Å; E12-K16 WeakPolarHBondContact O-CG 3.38Å; V13-K16 WeakPolarHBondContact O-CA 3.42Å; V13-K16 WeakPolarHBondContact O-CB 3.4Å; V13-K16 PolarHBondContact O-N 2.73Å; E14-K16 VanDerWaalsContact C-N 3.26Å; E14-K16 PolarHBondContact O-N 3.23Å; K16-V18 VanDerWaalsContact C-N 3.35Å; K16-S19 WeakPolarHBondContact CA-OG 3.34Å; K16-S19 PolarHBondContact O-N 3.27Å; K16-S19 PolarHBondContact O-OG 3.32Å; K16-A20 WeakPolarHBondContact O-CB 3.29Å; K16-A20 PolarHBondContact O-N 3.01Å
17	D	34.3	Very low	34.6	Very low	117 Å²	117	95.3 Å²	95.3	63%	0.626	56%	0.559	S	S	*	*	H	α-helix	trans	-68.7	-34.9	176.4	-78.8	-8	0	0	0	111.4	V13 E14 A20	V13-D17 PolarHBondContact O-N 3.34Å; E14-D17 PolarHBondContact O-N 3.04Å; D17-A20 PolarHBondContact O-N 2.8Å
18	V	38.2	Very low	33.9	Very low	117 Å²	117	100 Å²	100	71%	0.709	59%	0.591	S	S	*	*	H	α-helix	trans	-66.2	-41.9	172.3	171.6	0	0	0	0	111.8	E14 K16 A20	E14-V18 WeakPolarHBondContact O-CG2 3.43Å; E14-V18 PolarHBondContact O-N 3.46Å; E14-V18 VanDerWaalsContact O-N 3.07Å; K16-V18 VanDerWaalsContact C-N 3.35Å; V18-A20 VanDerWaalsContact C-N 3.27Å; V18-A20 PolarHBondContact O-N 2.85Å
19	S	30.5	Very low	33.4	Very low	94 Å²	94	104 Å²	104	66%	0.657	61%	0.614	S	S	*	*	H	α-helix	trans	-77.9	-6.6	177.8	53.1	0	0	0	0	114.6	L15 K16 G21	L15-S19 WeakPolarHBondContact O-CB 3.46Å; L15-S19 PolarHBondContact O-N 3Å; L15-S19 PolarHBondContact O-OG 2.92Å; K16-S19 WeakPolarHBondContact CA-OG 3.34Å; K16-S19 PolarHBondContact O-N 3.27Å; K16-S19 PolarHBondContact O-OG 3.32Å; S19-G21 VanDerWaalsContact C-N 3.35Å
20	A	31.8	Very low	32.6	Very low	73 Å²	73	107 Å²	107	60%	0.603	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	0.8	174.1	0	0	0	0	0	114.3	K16 D17 V18 K22	K16-A20 WeakPolarHBondContact O-CB 3.29Å; K16-A20 PolarHBondContact O-N 3.01Å; D17-A20 PolarHBondContact O-N 2.8Å; V18-A20 VanDerWaalsContact C-N 3.27Å; V18-A20 PolarHBondContact O-N 2.85Å; A20-K22 PolarHBondContact O-N 3.47Å
21	G	30.1	Very low	31.5	Very low	57 Å²	57	111.8 Å²	111.8	59%	0.588	67%	0.67	S	S	*	*	S	Bend	trans	-58.8	122.7	172.8	0	0	0	0	0	111.8	S19 A23	S19-G21 VanDerWaalsContact C-N 3.35Å; G21-A23 PolarHBondContact O-N 3.31Å
22	K	31.5	Very low	31.5	Very low	207 Å²	207	116 Å²	116	90%	0.9	69%	0.694	S	S	*	*			trans	-56.8	109.7	-175.9	-74.8	-179.4	176.9	176.5	0	111.9	A20 L24	A20-K22 PolarHBondContact O-N 3.47Å; K22-L24 PolarHBondContact O-N 3.49Å
23	A	27	Very low	31.1	Very low	100 Å²	100	116.8 Å²	116.8	83%	0.826	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-62.1	122.5	168.8	0	0	0	0	0	110.6	G21	G21-A23 PolarHBondContact O-N 3.31Å
24	L	30.6	Very low	30.4	Very low	158 Å²	158	117.7 Å²	117.7	83%	0.827	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-77.8	152.2	160.5	-71.5	167	0	0	0	109	K22 A26	K22-L24 PolarHBondContact O-N 3.49Å; L24-A26 PolarHBondContact O-N 3.3Å
25	P	28.7	Very low	29.8	Very low	128 Å²	128	123 Å²	123	83%	0.831	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-63.8	131.9	-174.5	-21.3	33.6	0	0	0	112.2
26	A	27.4	Very low	29.5	Very low	98 Å²	98	125.2 Å²	125.2	81%	0.81	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-83.7	131.6	172.8	0	0	0	0	0	110.8	L24	L24-A26 PolarHBondContact O-N 3.3Å
27	E	27.3	Very low	29.5	Very low	193 Å²	193	127 Å²	127	90%	0.902	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-75.6	152.7	165	-67.7	-167.2	137.6	0	0	111
28	S	29	Very low	29.3	Very low	110 Å²	110	126.8 Å²	126.8	77%	0.769	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-81.1	149	-169.4	-54.7	0	0	0	0	113.3
29	P	28.1	Very low	28.9	Very low	126 Å²	126	129.1 Å²	129.1	82%	0.818	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-79.1	148.4	-175.9	32.4	-36.2	0	0	0	113.4
30	V	24.4	Very low	28.8	Very low	140 Å²	140	128.5 Å²	128.5	85%	0.848	77%	0.773	S	S	*	*			trans	-137.5	113.9	170.4	-177.5	0	0	0	0	111.2
31	T	23.6	Very low	28.7	Very low	135 Å²	135	135.8 Å²	135.8	83%	0.828	79%	0.785	S	S	*	*			trans	-154.5	172.3	164.7	61.5	0	0	0	0	107.5
32	P	38.4	Very low	28.5	Very low	113 Å²	113	140.7 Å²	140.7	73%	0.734	80%	0.798	S	S	*	*			cis	-130.3	175.9	-8.5	41.8	-27.4	0	0	0	114.5
33	T	24.4	Very low	28.4	Very low	129 Å²	129	139 Å²	139	79%	0.791	79%	0.793	S	S	*	*			trans	-171.6	119.5	149.4	30	0	0	0	0	107
34	S	26.1	Very low	29	Very low	101 Å²	101	138.7 Å²	138.7	71%	0.706	78%	0.783	S	S	*	*				60.7	134.3	82.6	73.7	0	0	0	0	113.4
35	E	26.9	Very low	28.9	Very low	179 Å²	179	139.1 Å²	139.1	84%	0.836	78%	0.78	S	S	*	*			cis	-137.5	159.3	18.5	-66	175.9	132.2	0	0	110.2
36	D	28.9	Very low	28.8	Very low	120 Å²	120	141.8 Å²	141.8	64%	0.642	78%	0.779	S	S	*	*				50	141.8	77.5	-107.2	-9.1	0	0	0	114.9
37	K	31.7	Very low	28.7	Very low	172 Å²	172	145.6 Å²	145.6	75%	0.748	78%	0.78	S	S	*	*			cis	-154.1	-169.6	10.4	-145.7	146.2	-155.6	150	0	113.8
38	T	30.2	Very low	28.8	Very low	113 Å²	113	141.4 Å²	141.4	69%	0.693	78%	0.778	S	S	*	*			trans	-108.3	-175.2	-157.3	51.2	0	0	0	0	116.5
39	L	31.2	Very low	28.7	Very low	165 Å²	165	140 Å²	140	86%	0.864	78%	0.781	S	S	*	*			trans	115.8	149.8	153.4	-64.6	168.5	0	0	0	116.7
40	A	28.6	Very low	28.7	Very low	81 Å²	81	139.6 Å²	139.6	67%	0.669	78%	0.781	S	S	*	*			cis	-154.3	159.5	-0.9	0	0	0	0	0	114.9
41	R	28.6	Very low	28.8	Very low	226 Å²	226	138 Å²	138	85%	0.853	78%	0.776	S	S	*	*			trans	10.3	141.9	145.4	-65.5	179	170.8	165.5	-3.5	121.2
42	N	26.7	Very low	29.1	Very low	161 Å²	161	136.3 Å²	136.3	86%	0.861	78%	0.776	S	S	*	*				-161.8	153.5	98.5	-100	-10.7	0	0	0	114.8
43	E	28.1	Very low	28.6	Very low	172 Å²	172	135.8 Å²	135.8	80%	0.804	78%	0.781	S	S	*	*			trans	-122.5	176.1	171	-136.7	-165.2	-114.9	0	0	106.2
44	P	40.3	Very low	28.8	Very low	92 Å²	92	134 Å²	134	60%	0.597	78%	0.779	S	S	*	*				-159.7	-169.7	57.3	46.1	-24.1	0	0	0	117.6
45	Q	27.8	Very low	29	Very low	167 Å²	167	133.5 Å²	133.5	78%	0.78	78%	0.781	S	S	*	*			trans	71	155	149.3	-77	176.5	18.8	0	0	119.9
46	K	27.4	Very low	29	Very low	184 Å²	184	131.7 Å²	131.7	80%	0.8	78%	0.783	S	S	*	*			cis	-167.6	-172.4	-32.6	-134.6	-172.4	-176.3	-176	0	109.6
47	E	26.3	Very low	29	Very low	179 Å²	179	130.9 Å²	130.9	84%	0.836	79%	0.787	S	S	*	*			trans	73.5	132	172.7	-49.1	-169.3	160.1	0	0	115
48	A	28.3	Very low	29.8	Very low	104 Å²	104	127.9 Å²	127.9	86%	0.86	79%	0.785	S	S	*	*			cis	88.2	107.6	18.3	0	0	0	0	0	116.2
49	G	26.6	Very low	29.8	Very low	80 Å²	80	128.8 Å²	128.8	83%	0.825	79%	0.79	S	S	*	*			trans	-176	148.7	174.2	0	0	0	0	0	110.4
50	S	27.5	Very low	29.7	Very low	118 Å²	118	126 Å²	126	83%	0.825	79%	0.791	S	S	*	*			trans	-143.6	179.4	-166.1	66.5	0	0	0	0	114.8
51	S	28.1	Very low	29.8	Very low	107 Å²	107	130.2 Å²	130.2	75%	0.748	80%	0.797	S	S	*	*			trans	85.6	99.4	161.6	82.8	0	0	0	0	121.1
52	A	28.7	Very low	30.8	Very low	99 Å²	99	125.5 Å²	125.5	82%	0.818	80%	0.796	S	S	*	*				60.6	154.7	106	0	0	0	0	0	123.8
53	A	27.8	Very low	31	Very low	102 Å²	102	122.7 Å²	122.7	84%	0.843	79%	0.788	S	S	*	*			trans	76	154.6	162.9	0	0	0	0	0	118.7
54	A	28.7	Very low	31.1	Very low	91 Å²	91	118.9 Å²	118.9	75%	0.752	79%	0.787	S	S	*	*			cis	-172.7	172.9	-28.3	0	0	0	0	0	110.3
55	A	29.8	Very low	30.7	Very low	91 Å²	91	124.1 Å²	124.1	75%	0.752	80%	0.8	S	S	*	*			trans	71.2	154.1	161.7	0	0	0	0	0	117.1
56	T	27.1	Very low	30.8	Very low	141 Å²	141	121 Å²	121	87%	0.865	80%	0.803	S	S	*	*			cis	-154.9	164.5	-6.6	-2.9	0	0	0	0	110.9
57	S	29.8	Very low	30.8	Very low	104 Å²	104	116 Å²	116	73%	0.727	80%	0.803	S	S	*	*			trans	-92.4	-178.9	166.5	58.2	0	0	0	0	112.1
58	P	47.3	Very low	31.1	Very low	109 Å²	109	117.3 Å²	117.3	71%	0.708	81%	0.81	S	S	*	*				-153	154.7	95.6	40.9	-23.3	0	0	0	118.5
59	T	31.9	Very low	31	Very low	131 Å²	131	116.1 Å²	116.1	80%	0.804	81%	0.808	S	S	*	*			trans	37.7	130.8	143.6	61.5	0	0	0	0	123.7
60	A	27.8	Very low	31.1	Very low	107 Å²	107	119.4 Å²	119.4	88%	0.884	81%	0.806	S	S	*	*				-172	149.2	101.9	0	0	0	0	0	113.1
61	E	30.7	Very low	31.3	Very low	169 Å²	169	124.9 Å²	124.9	79%	0.79	81%	0.809	S	S	*	*			trans	-150.5	160.5	172	-161.2	-165.4	-104.1	0	0	108.3
62	P	50	Low	31.2	Very low	128 Å²	128	123.6 Å²	123.6	83%	0.831	81%	0.812	S	S	*	*				-145.5	172.1	126	37.3	-22.1	0	0	0	116.1
63	S	31.7	Very low	31.2	Very low	101 Å²	101	127 Å²	127	71%	0.706	82%	0.816	S	S	*	*			trans	-119.1	163.7	-157.7	58.9	0	0	0	0	116.9
64	A	29.2	Very low	31.3	Very low	93 Å²	93	130.3 Å²	130.3	77%	0.769	82%	0.818	S	S	*	*			trans	-154.3	122.4	146.4	0	0	0	0	0	107.9
65	K	32.2	Very low	31.5	Very low	201 Å²	201	132.1 Å²	132.1	87%	0.874	82%	0.82	S	S	*	*				58.9	134.9	68.8	-73	-165.5	176.7	-176.5	0	114.5
66	A	30.8	Very low	31.8	Very low	103 Å²	103	134 Å²	134	85%	0.851	83%	0.825	S	S	*	*			cis	-167.3	166.9	-13.1	0	0	0	0	0	109.9
67	G	26.8	Very low	31.9	Very low	78 Å²	78	133.1 Å²	133.1	80%	0.804	82%	0.824	S	S	*	*			trans	176	115.9	169.3	0	0	0	0	0	113.5
68	E	31.8	Very low	31.8	Very low	207 Å²	207	132.9 Å²	132.9	97%	0.967	83%	0.829	S	S	*	*			trans	-103.4	153.1	-175.9	-63.7	-177.4	120.1	0	0	113.5
69	G	26.8	Very low	30.9	Very low	79 Å²	79	132.3 Å²	132.3	81%	0.814	83%	0.834	S	S	*	*			trans	-156	139.3	168.4	0	0	0	0	0	109.5
70	N	29.5	Very low	30.7	Very low	148 Å²	148	136.1 Å²	136.1	79%	0.791	84%	0.839	S	S	*	*			trans	-132	156	-153	-165.5	-5.5	0	0	0	114.6
71	R	30	Very low	30.7	Very low	233 Å²	233	139.7 Å²	139.7	88%	0.879	84%	0.839	S	S	*	*			trans	83.3	135.1	165.1	-53.3	-175.2	175.7	-173.4	-2	118.3
72	G	26.1	Very low	30.7	Very low	80 Å²	80	137.7 Å²	137.7	83%	0.825	84%	0.841	S	S	*	*			trans	166.4	45.2	173	0	0	0	0	0	116.6
73	L	29.4	Very low	29.6	Very low	172 Å²	172	141 Å²	141	90%	0.901	85%	0.845	S	S	*	*			trans	-80.9	117.4	177.6	-103.4	150.3	0	0	0	111.8
74	L	29.3	Very low	29.4	Very low	170 Å²	170	141.1 Å²	141.1	89%	0.89	85%	0.853	S	S	*	*			trans	-142.4	131.6	166.2	-79	177.4	0	0	0	111.4
75	T	34.1	Very low	29.4	Very low	130 Å²	130	142.6 Å²	142.6	80%	0.798	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-102.2	134.4	177.8	49.9	0	0	0	0	111.8
76	P	36.3	Very low	29.2	Very low	129 Å²	129	137.7 Å²	137.7	84%	0.838	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-81.4	146.6	165.8	-8.1	26.1	0	0	0	112.1
77	S	27.5	Very low	29	Very low	123 Å²	123	141.3 Å²	141.3	86%	0.86	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-85.5	161	176.3	-170.1	0	0	0	0	112.7
78	A	28.5	Very low	28.9	Very low	99 Å²	99	146.9 Å²	146.9	82%	0.818	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-83.5	144	179	0	0	0	0	0	113.1
79	A	28.6	Very low	28.7	Very low	98 Å²	98	146.3 Å²	146.3	81%	0.81	86%	0.858	S	S	*	*			trans	-142.7	91.5	175.2	0	0	0	0	0	113.2
80	K	28.1	Very low	28.6	Very low	210 Å²	210	147.5 Å²	147.5	91%	0.913	85%	0.853	S	S	*	*			trans	29.9	112.3	150.4	-61.7	178.1	179	178	0	119.6
81	M	27.4	Very low	28.5	Very low	182 Å²	182	147.9 Å²	147.9	90%	0.897	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-88.5	148.8	147.5	-67.1	175.4	67.1	0	0	110.5
82	P	31.6	Very low	28.8	Very low	127 Å²	127	142.3 Å²	142.3	83%	0.825	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-83.7	143.8	165	0.2	18.6	0	0	0	111.6
83	Q	27.1	Very low	28.9	Very low	197 Å²	197	146.4 Å²	146.4	92%	0.921	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-92.5	151.8	168.7	-70.1	177.8	-24	0	0	111
84	A	27.5	Very low	28.9	Very low	104 Å²	104	145.2 Å²	145.2	86%	0.86	84%	0.837	S	S	*	*			trans	-104.6	149.9	163.9	0	0	0	0	0	110
85	S	28.9	Very low	28.7	Very low	125 Å²	125	144.2 Å²	144.2	87%	0.874	83%	0.833	S	S	*	*			trans	-87.7	152.7	-165.2	43.3	0	0	0	0	114.8
86	A	26.2	Very low	28.2	Very low	98 Å²	98	142 Å²	142	81%	0.81	84%	0.835	S	S	*	*			trans	-86.7	152.6	173.9	0	0	0	0	0	112.5
87	L	27	Very low	27.7	Very low	178 Å²	178	139.8 Å²	139.8	93%	0.932	84%	0.836	S	S	*	*			trans	-127.1	147.8	161.8	-83.9	169.9	0	0	0	109.7
88	K	24.4	Very low	27.5	Very low	195 Å²	195	142 Å²	142	85%	0.848	84%	0.838	S	S	*	*			trans	-93.6	153.7	-178	-58.3	174	179.4	177.9	0	110.7
89	H	27.6	Very low	27.4	Very low	196 Å²	196	140.8 Å²	140.8	91%	0.907	83%	0.828	S	S	*	*			trans	-149.6	172.1	135.3	-105.8	-73.7	0	0	0	109.5
90	S	26	Very low	27.2	Very low	103 Å²	103	145.6 Å²	145.6	72%	0.72	83%	0.831	S	S	*	*			trans	-138.2	142.8	-160.6	53.6	0	0	0	0	113.1
91	D	26.6	Very low	27.1	Very low	156 Å²	156	142.1 Å²	142.1	83%	0.834	83%	0.827	S	S	*	*			trans	-68.2	168	171.1	-62.8	-54	0	0	0	113.3
92	P	36.6	Very low	27.1	Very low	117 Å²	117	140.5 Å²	140.5	76%	0.76	82%	0.822	S	S	*	*				-139.8	141.7	113.8	36.6	-24.6	0	0	0	116.4
93	Q	28.5	Very low	26.9	Very low	166 Å²	166	144.9 Å²	144.9	78%	0.776	82%	0.822	S	S	*	*				22.1	145.5	129.7	-88.4	173.9	-82.7	0	0	121
94	Q	28.6	Very low	27	Very low	146 Å²	146	141.6 Å²	141.6	68%	0.682	81%	0.811	S	S	*	*			cis	-169.7	-178.7	2.3	-153.8	167.2	-6.1	0	0	111.8
95	N	26.1	Very low	27	Very low	150 Å²	150	139.3 Å²	139.3	80%	0.802	80%	0.798	S	S	*	*			trans	83	142.7	165.3	-53	-21.9	0	0	0	117
96	G	24.1	Very low	27.1	Very low	82 Å²	82	140.2 Å²	140.2	85%	0.845	80%	0.798	S	S	*	*			cis	142	133.4	-10.6	0	0	0	0	0	114
97	G	24	Very low	27.1	Very low	83 Å²	83	142.5 Å²	142.5	86%	0.856	80%	0.802	S	S	*	*			trans	149.1	147.7	172.4	0	0	0	0	0	114.5
98	D	25.1	Very low	27	Very low	169 Å²	169	139 Å²	139	90%	0.904	80%	0.799	S	S	*	*			trans	-144.4	169.9	-170.1	-135.8	-31.8	0	0	0	112.2
99	A	24.8	Very low	27.2	Very low	75 Å²	75	139.1 Å²	139.1	62%	0.62	80%	0.802	S	S	*	*			trans	76.5	115.7	155.7	0	0	0	0	0	124.4
100	F	24.7	Very low	27	Very low	198 Å²	198	134.5 Å²	134.5	87%	0.868	80%	0.798	S	S	*	*			trans	54	138.2	130.7	-72.7	-84.8	0	0	0	125.1
101	V	26.9	Very low	27.1	Very low	137 Å²	137	135.7 Å²	135.7	83%	0.83	80%	0.803	S	S	*	*				-179.7	152.9	111.6	149	0	0	0	0	111.8
102	N	27	Very low	27	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	81%	0.807	S	S	*	*			trans	-111	158.4	-178.3	-76	-26.4	0	0	0	113.9
103	R	28.1	Very low	26.4	Very low	220 Å²	220	141.7 Å²	141.7	83%	0.83	81%	0.808	S	S	*	*			trans	-166.5	167.8	140.4	-64.9	-154.6	76.9	131.3	3.8	106.8
104	D	28.4	Very low	26.2	Very low	127 Å²	127	142.2 Å²	142.2	68%	0.679	81%	0.807	S	S	*	*			cis	-160.8	169.9	-34.2	-88.9	-4.4	0	0	0	104.7
105	G	28.1	Very low	25.9	Very low	57 Å²	57	143.8 Å²	143.8	59%	0.588	81%	0.812	S	S	*	*			cis	170.3	158.5	-2.9	0	0	0	0	0	109.9
106	T	29.8	Very low	25.8	Very low	143 Å²	143	145.6 Å²	145.6	88%	0.877	81%	0.813	S	S	*	*			trans	67.3	143.7	-173.3	70.6	0	0	0	0	115.4
107	V	26.9	Very low	25.7	Very low	147 Å²	147	150.1 Å²	150.1	89%	0.891	81%	0.809	S	S	*	*			cis	100.9	105.4	3.4	-173.9	0	0	0	0	117.5
108	A	25.8	Very low	25.8	Very low	105 Å²	105	154 Å²	154	87%	0.868	81%	0.808	S	S	*	*			trans	-159	167.2	157.1	0	0	0	0	0	112.3
109	E	26.7	Very low	25.8	Very low	196 Å²	196	153.6 Å²	153.6	92%	0.916	80%	0.801	S	S	*	*			trans	-83.2	168.5	-165.4	-56.3	172.6	102.5	0	0	116.8
110	A	23.9	Very low	25.8	Very low	99 Å²	99	159.8 Å²	159.8	82%	0.818	82%	0.815	S	S	*	*			trans	-139.7	120.9	165.8	0	0	0	0	0	113
111	P	27.9	Very low	25.9	Very low	128 Å²	128	155.2 Å²	155.2	83%	0.831	81%	0.813	S	S	*	*			trans	-97.2	149.2	179	35.5	-33.6	0	0	0	114.6
112	R	24.8	Very low	26	Very low	243 Å²	243	154.5 Å²	154.5	92%	0.917	81%	0.805	S	S	*	*			trans	-76.9	136.1	169.9	-70.6	169.3	161.2	172.6	-6.1	112.2
113	M	23.8	Very low	26	Very low	156 Å²	156	157 Å²	157	77%	0.768	81%	0.811	S	S	*	*			trans	-164.8	128.7	138.5	-84.4	-124	-169.1	0	0	109
114	K	23.8	Very low	25.9	Very low	178 Å²	178	154.1 Å²	154.1	77%	0.774	81%	0.805	S	S	*	*				74.8	137.1	68.1	-89	-175.9	175.5	174.9	0	114.6
115	K	23.6	Very low	25.9	Very low	178 Å²	178	155.6 Å²	155.6	77%	0.774	81%	0.808	S	S	*	*			trans	82.7	151.3	172	-58.6	161.5	-176.6	167.4	0	113.7
116	K	24	Very low	26	Very low	189 Å²	189	160.4 Å²	160.4	82%	0.822	82%	0.815	S	S	*	*			cis	-150	156.1	3	-135.5	167.8	-175.5	-173.5	0	113
117	K	21.9	Very low	25.7	Very low	176 Å²	176	162.6 Å²	162.6	77%	0.765	81%	0.813	S	S	*	*			trans	-40.9	147.1	164.8	-56.6	173.3	171.3	-173.2	0	114.3
118	I	26.5	Very low	25.8	Very low	164 Å²	164	162.3 Å²	162.3	84%	0.841	81%	0.806	S	S	*	*			trans	-108.4	145	143.6	-64.6	175.7	0	0	0	106.8
119	Q	24.3	Very low	25.9	Very low	162 Å²	162	167.4 Å²	167.4	76%	0.757	81%	0.809	S	S	*	*			trans	-109.2	139.9	177.3	-75.3	175.9	-115.3	0	0	110.3
120	F	25.9	Very low	26.1	Very low	205 Å²	205	169.8 Å²	169.8	90%	0.899	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83.5	153.2	161.2	-75.6	-95.1	0	0	0	109.8
121	A	26.2	Very low	26.6	Very low	102 Å²	102	171.2 Å²	171.2	84%	0.843	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-93.6	141.7	173.2	0	0	0	0	0	110.8
122	D	28.6	Very low	26.6	Very low	121 Å²	121	170.5 Å²	170.5	65%	0.647	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-72	142.8	-177.9	-71.5	-80	0	0	0	113.4	K124	D122-K124 WeakPolarHBondContact OD1-CE 3.46Å; D122-K124 IonicContact OD1-NZ 3.82Å
123	Q	26.5	Very low	26.9	Very low	200 Å²	200	169 Å²	169	94%	0.935	81%	0.808	S	S	*	*				-129.1	122.7	128.5	-72.5	-165.9	-9.3	0	0	109
124	K	27.5	Very low	27.2	Very low	161 Å²	161	169.9 Å²	169.9	70%	0.7	81%	0.814	S	S	*	*			trans	-97.9	162.7	172.1	-56.2	169.5	-175.9	162.5	0	107.2	D122	D122-K124 WeakPolarHBondContact OD1-CE 3.46Å; D122-K124 IonicContact OD1-NZ 3.82Å
125	Q	28.4	Very low	27.5	Very low	158 Å²	158	164.8 Å²	164.8	74%	0.738	81%	0.812	S	S	*	*				179.7	166.6	59.9	-114.2	-178.7	-45.1	0	0	105.7
126	E	28.9	Very low	28	Very low	158 Å²	158	168 Å²	168	74%	0.738	82%	0.82	S	S	*	*			cis	-160.5	164.5	-13	-156.2	159.1	-109.8	0	0	106.8
127	F	24	Very low	28.3	Very low	188 Å²	188	170.9 Å²	170.9	83%	0.825	83%	0.826	S	S	*	*			trans	-122.3	153.8	178.5	-129.3	-91.2	0	0	0	112.3
128	N	29	Very low	28.7	Very low	142 Å²	142	167.6 Å²	167.6	76%	0.759	82%	0.824	S	S	*	*			trans	77	105.7	174.5	-58.5	-52	0	0	0	119
129	K	28.4	Very low	29	Very low	211 Å²	211	168.5 Å²	168.5	92%	0.917	83%	0.83	S	S	*	*			trans	-147.2	127.2	134.4	-107.1	162.2	-172	167.7	0	109.5
130	R	30.3	Very low	29.3	Very low	247 Å²	247	165.6 Å²	165.6	93%	0.932	83%	0.828	S	S	*	*			trans	-79.9	151.2	174.5	-69.1	178.5	175.7	170.8	-2.6	110.5
131	P	33.6	Very low	29.7	Very low	128 Å²	128	167.2 Å²	167.2	83%	0.831	83%	0.828	S	S	*	*			trans	-117.3	145.6	137.6	4.1	16.3	0	0	0	111
132	S	29.3	Very low	29.8	Very low	113 Å²	113	168 Å²	168	79%	0.79	83%	0.827	S	S	*	*			trans	-93.6	145.2	169.3	51.4	0	0	0	0	111
133	K	29.8	Very low	30	Very low	212 Å²	212	169.4 Å²	169.4	92%	0.922	83%	0.833	S	S	*	*			trans	-162.7	152.7	142.2	-111.4	161.9	-171.2	178.6	0	111.9
134	I	31.2	Very low	30.3	Very low	174 Å²	174	165.1 Å²	165.1	89%	0.892	83%	0.825	S	S	*	*			trans	-89.3	136.1	-172.2	-67.4	159	0	0	0	109.5
135	G	28.8	Very low	30.4	Very low	71 Å²	71	166.2 Å²	166.2	73%	0.732	83%	0.833	S	S	*	*			trans	-150.7	107.4	173.1	0	0	0	0	0	111.4	R137	G135-R137 PolarHBondContact O-N 2.91Å
136	R	35.4	Very low	30.5	Very low	247 Å²	247	163.4 Å²	163.4	93%	0.932	83%	0.83	S	S	*	*			trans	-65.1	126.7	172.7	-71.9	175.5	172.2	165.4	-4.7	109.6
137	R	30.7	Very low	30.6	Very low	249 Å²	249	160.7 Å²	160.7	94%	0.94	83%	0.829	S	S	*	*			trans	-135.2	151.6	156.3	-75	-165	170.7	177.6	-2.4	110.5	G135	G135-R137 PolarHBondContact O-N 2.91Å
138	S	30.3	Very low	31.1	Very low	106 Å²	106	157.9 Å²	157.9	74%	0.741	83%	0.827	S	S	*	*			trans	-77.1	154.4	-168.8	41.9	0	0	0	0	113.3	S140	S138-S140 VanDerWaalsContact C-N 3.33Å; S138-S140 PolarHBondContact O-N 3.28Å
139	L	32.7	Very low	31.2	Very low	183 Å²	183	158 Å²	158	96%	0.958	83%	0.828	S	S	*	*			trans	-71.1	85.2	167.3	-69.9	168.9	0	0	0	110.2
140	S	30.2	Very low	31.2	Very low	102 Å²	102	152.7 Å²	152.7	71%	0.713	82%	0.817	S	S	*	*			trans	-76.9	118.2	166.3	53.1	0	0	0	0	109.9	S138 S142	S138-S140 VanDerWaalsContact C-N 3.33Å; S138-S140 PolarHBondContact O-N 3.28Å; S140-S142 PolarHBondContact O-N 3.01Å; S140-S142 VanDerWaalsContact O-N 3.15Å
141	R	34.2	Very low	31.1	Very low	239 Å²	239	151.3 Å²	151.3	90%	0.902	81%	0.814	S	S	*	*			trans	-59.2	115.3	172.4	-67.4	175.7	177	168.1	-2.8	109.5	I143	R141-I143 PolarHBondContact O-N 3.35Å
142	S	29	Very low	30.8	Very low	118 Å²	118	149.7 Å²	149.7	83%	0.825	81%	0.805	S	S	*	*			trans	-73.3	93.6	170.2	53.3	0	0	0	0	109.4	S140 S144	S140-S142 PolarHBondContact O-N 3.01Å; S140-S142 VanDerWaalsContact O-N 3.15Å; S142-S144 PolarHBondContact O-N 3.43Å; S142-S144 VanDerWaalsContact O-N 3.12Å
143	I	31.9	Very low	30.9	Very low	151 Å²	151	150.1 Å²	150.1	77%	0.774	81%	0.809	S	S	*	*			trans	-64.3	109	164.8	-64.1	172	0	0	0	106.5	R141 Q145	R141-I143 PolarHBondContact O-N 3.35Å; I143-Q145 PolarHBondContact O-N 3.4Å
144	S	32.8	Very low	31	Very low	109 Å²	109	144 Å²	144	76%	0.762	80%	0.798	S	S	*	*			trans	-64.3	112.3	167.9	49.7	0	0	0	0	108.1	S142 S146	S142-S144 PolarHBondContact O-N 3.43Å; S142-S144 VanDerWaalsContact O-N 3.12Å; S144-S146 PolarHBondContact O-N 3.48Å
145	Q	29.3	Very low	31	Very low	184 Å²	184	139.6 Å²	139.6	86%	0.86	79%	0.787	S	S	*	*			trans	-61.6	124	172.1	-73	-175.4	-23.8	0	0	108.7	I143 S147	I143-Q145 PolarHBondContact O-N 3.4Å; Q145-S147 PolarHBondContact O-N 3.12Å
146	S	31	Very low	31.2	Very low	99 Å²	99	141.7 Å²	141.7	69%	0.692	79%	0.79	S	S	*	*			trans	-70.8	112.4	172.5	49.9	0	0	0	0	109.1	S144 T148	S144-S146 PolarHBondContact O-N 3.48Å; S146-T148 PolarHBondContact O-N 2.87Å; S146-T148 VanDerWaalsContact O-N 3.1Å
147	S	31.2	Very low	31.2	Very low	102 Å²	102	138.9 Å²	138.9	71%	0.713	78%	0.781	S	S	*	*			trans	-60.6	111.7	168.4	-52.7	0	0	0	0	109.1	Q145 D149	Q145-S147 PolarHBondContact O-N 3.12Å; S147-D149 PolarHBondContact O-N 3.21Å
148	T	34.7	Very low	31.5	Very low	128 Å²	128	132.2 Å²	132.2	79%	0.785	77%	0.768	S	S	*	*	S	Bend	trans	-80.7	40	-177.7	50	0	0	0	0	112.8	S146	S146-T148 PolarHBondContact O-N 2.87Å; S146-T148 VanDerWaalsContact O-N 3.1Å
149	D	30	Very low	31.9	Very low	145 Å²	145	135.2 Å²	135.2	78%	0.775	78%	0.776	S	S	*	*			trans	-118.3	36.8	178.6	-69	-62.9	0	0	0	110.9	S147 Y151	S147-D149 PolarHBondContact O-N 3.21Å; D149-Y151 VanDerWaalsContact C-N 3.33Å; D149-Y151 PolarHBondContact O-N 3.33Å
150	S	28.6	Very low	32.1	Very low	99 Å²	99	130 Å²	130	69%	0.692	76%	0.755	S	S	*	*			trans	-76.2	85.7	166.9	-61.8	0	0	0	0	110.1	S152	S150-S152 PolarHBondContact O-N 3.42Å
151	Y	28	Very low	32.6	Very low	218 Å²	218	130.7 Å²	130.7	86%	0.855	76%	0.76	S	S	*	*			trans	-64	83.8	150.1	-106.8	-86.2	0	0	0	107.9	D149 S153	D149-Y151 VanDerWaalsContact C-N 3.33Å; D149-Y151 PolarHBondContact O-N 3.33Å; Y151-S153 PolarHBondContact O-N 3.2Å
152	S	27.6	Very low	33	Very low	94 Å²	94	125.1 Å²	125.1	66%	0.657	75%	0.748	S	S	*	*			trans	-64.9	100.8	178.1	-67.2	0	0	0	0	109.3	S150 A154	S150-S152 PolarHBondContact O-N 3.42Å; S152-A154 PolarHBondContact O-N 3.05Å
153	S	32.3	Very low	34.1	Very low	123 Å²	123	122.1 Å²	122.1	86%	0.86	72%	0.722	S	S	*	*			trans	-69.5	32.2	177	-48.8	0	0	0	0	114.1	Y151 A155	Y151-S153 PolarHBondContact O-N 3.2Å; S153-A155 PolarHBondContact O-N 2.92Å; S153-A155 VanDerWaalsContact O-N 3.16Å
154	A	30.9	Very low	35.4	Very low	83 Å²	83	124 Å²	124	69%	0.686	73%	0.728	S	S	*	*			trans	-70.2	100.4	157.3	0	0	0	0	0	107.1	S152 S156	S152-A154 PolarHBondContact O-N 3.05Å; A154-S156 PolarHBondContact O-N 2.53Å
155	A	31.2	Very low	37.3	Very low	82 Å²	82	122.3 Å²	122.3	68%	0.678	71%	0.713	S	S	*	*			trans	-71.9	57.1	-174.9	0	0	0	0	0	113.4	S153 Y157	S153-A155 PolarHBondContact O-N 2.92Å; S153-A155 VanDerWaalsContact O-N 3.16Å; A155-Y157 HydrophobicContact CB-CD2 4.12Å; A155-Y157 HydrophobicContact CB-CE2 4.4Å; A155-Y157 PolarHBondContact O-N 2.96Å; A155-Y157 VanDerWaalsContact O-N 3.14Å
156	S	33.3	Very low	40	Very low	114 Å²	114	115 Å²	115	80%	0.797	68%	0.682	S	S	*	*			trans	-84.1	56.3	166.8	-176.4	0	0	0	0	109.9	A154 T158	A154-S156 PolarHBondContact O-N 2.53Å; S156-T158 VanDerWaalsContact C-N 3.29Å; S156-T158 PolarHBondContact O-N 2.73Å
157	Y	36.3	Very low	42.9	Very low	189 Å²	189	110.3 Å²	110.3	74%	0.741	65%	0.65	S	S	*	*			trans	-72.3	85.2	177.6	-80.5	-71.5	0	0	0	110.7	A155	A155-Y157 HydrophobicContact CB-CD2 4.12Å; A155-Y157 HydrophobicContact CB-CE2 4.4Å; A155-Y157 PolarHBondContact O-N 2.96Å; A155-Y157 VanDerWaalsContact O-N 3.14Å
158	T	37	Very low	45.7	Very low	109 Å²	109	109.9 Å²	109.9	67%	0.669	63%	0.632	S	S	*	*			trans	42.9	84.7	159.5	56.5	0	0	0	0	115.2	S156 S160	S156-T158 VanDerWaalsContact C-N 3.29Å; S156-T158 PolarHBondContact O-N 2.73Å; T158-S160 PolarHBondContact O-N 3.1Å
159	D	37.5	Very low	48.3	Very low	168 Å²	168	109.9 Å²	109.9	90%	0.898	63%	0.628	S	S	*	*			trans	-66.4	83.5	148.6	-166	24.3	0	0	0	107.4	S161	D159-S161 PolarHBondContact O-N 3.17Å
160	S	37.4	Very low	51.1	Low	73 Å²	73	105.9 Å²	105.9	51%	0.51	60%	0.604	S	S	.	*			trans	-71.6	118.3	-177.1	-154.2	0	0	0	0	108.5	T158 D162	T158-S160 PolarHBondContact O-N 3.1Å; S160-D162 PolarHBondContact O-N 3.46Å; S160-D162 PolarHBondContact OG-OD2 3.2Å
161	S	39.2	Very low	53.8	Low	117 Å²	117	110 Å²	110	82%	0.818	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	36	-167.4	59.8	0	0	0	0	114.5	D159	D159-S161 PolarHBondContact O-N 3.17Å
162	D	43.2	Very low	56.9	Low	122 Å²	122	100.9 Å²	100.9	65%	0.652	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-2.1	-169.5	-60.2	-62.9	0	0	0	113.3	S160	S160-D162 PolarHBondContact O-N 3.46Å; S160-D162 PolarHBondContact OG-OD2 3.2Å
163	D	52.6	Low	60.2	Low	55 Å²	55	102.4 Å²	102.4	29%	0.294	57%	0.572	S	S	.	*			trans	-125.5	41.4	-154.4	-132.1	71.7	0	0	0	114.8	T165 K170 K184	D163-T165 PolarHBondContact O-N 3.23Å; D163-K170 IonicContact OD1-NZ 3.56Å; D163-K170 PolarHBondContact OD1-NZ 2.74Å; D163-K170 IonicContact OD2-NZ 3.11Å; D163-K170 PolarHBondContact OD2-NZ 3.32Å; D163-K184 PolarHBondContact O-NZ 2.88Å; D163-K184 WeakPolarHBondContact OD2-CD 3.21Å; D163-K184 WeakPolarHBondContact OD2-CE 3.16Å; D163-K184 IonicContact OD2-NZ 3.65Å; D163-K184 PolarHBondContact OD2-NZ 2.99Å
164	E	58.7	Low	63.2	Low	190 Å²	190	97 Å²	97	89%	0.888	53%	0.533	S	S	*	.			trans	-63.9	-5.8	167.6	-72.8	-70.4	163.9	0	0	114.1
165	T	74.1	Confident	66.3	Low	74 Å²	74	97.9 Å²	97.9	45%	0.454	53%	0.534	S	S	.	.	S	Bend	trans	-103.5	135.9	177.6	43.8	0	0	0	0	111	D163 K170	D163-T165 PolarHBondContact O-N 3.23Å; T165-K170 PolarHBondContact O-NZ 3.19Å; T165-K170 WeakPolarHBondContact OG1-CE 3.16Å; T165-K170 PolarHBondContact OG1-NZ 3.02Å
166	S	85.9	Confident	69.3	Low	30 Å²	30	100.7 Å²	100.7	21%	0.21	53%	0.531	C	S	.	.			trans	-63.2	142	-178	-176.2	0	0	0	0	110.7	R168 D169	S166-R168 PolarHBondContact O-N 2.97Å; S166-R168 PolarHBondContact OG-N 3.19Å; S166-D169 VanDerWaalsContact CB-OD2 3.31Å; S166-D169 WeakPolarHBondContact CB-OD2 3.35Å; S166-D169 PolarHBondContact N-OD2 3.38Å; S166-D169 PolarHBondContact O-N 3.47Å
167	P	91.1	Very high	72.2	Confident	2 Å²	2	97.2 Å²	97.2	1%	0.013	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-48.2	-27.8	168.2	-35.6	43.1	0	0	0	114.8	Q172 C182 I183 K184 W276	P167-Q172 PolarHBondContact O-NE2 3.15Å; P167-C182 VanDerWaalsContact C-SG 3.51Å; P167-C182 PolarHBondContact O-SG 3.32Å; P167-I183 WeakPolarHBondContact CB-O 3.43Å; P167-K184 HydrophobicContact CG-CD 4.01Å; P167-W276 HydrophobicContact CB-CD2 3.95Å; P167-W276 HydrophobicContact CB-CE3 3.83Å; P167-W276 HydrophobicContact CB-CH2 4.36Å; P167-W276 HydrophobicContact CB-CZ2 4.39Å; P167-W276 HydrophobicContact CB-CZ3 4.07Å; P167-W276 HydrophobicContact CG-CD2 3.64Å; P167-W276 HydrophobicContact CG-CE3 4.06Å; P167-W276 HydrophobicContact CG-CG 3.84Å; P167-W276 HydrophobicContact CG-CZ2 4.32Å
168	R	90.4	Very high	74.9	Confident	92 Å²	92	91.1 Å²	91.1	35%	0.347	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-69	-29	178.5	-67.8	168.4	61.8	174.2	-1.4	114.2	S166 K170 W276 D283 W286	S166-R168 PolarHBondContact O-N 2.97Å; S166-R168 PolarHBondContact OG-N 3.19Å; R168-K170 VanDerWaalsContact C-N 3.27Å; R168-W276 HydrophobicContact CG-CH2 3.63Å; R168-W276 HydrophobicContact CG-CZ2 4.36Å; R168-W276 HydrophobicContact CG-CZ3 4.38Å; R168-D283 WeakPolarHBondContact CD-OD1 3.38Å; R168-D283 IonicContact CZ-OD1 2.9Å; R168-D283 IonicContact NE-OD1 2.71Å; R168-D283 IonicContact NH1-OD1 3.41Å; R168-D283 PolarHBondContact NH1-OD1 3.3Å; R168-W286 HydrophobicContact CG-CD2 4.34Å; R168-W286 HydrophobicContact CG-CE3 3.97Å; R168-W286 HydrophobicContact CG-CH2 3.86Å; R168-W286 HydrophobicContact CG-CZ2 4.2Å; R168-W286 HydrophobicContact CG-CZ3 3.74Å
169	D	88.7	Confident	77.7	Confident	128 Å²	128	87.8 Å²	87.8	68%	0.684	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-84.6	-7.9	-176.5	-53.7	-42.3	0	0	0	111.9	S166	S166-D169 VanDerWaalsContact CB-OD2 3.31Å; S166-D169 WeakPolarHBondContact CB-OD2 3.35Å; S166-D169 PolarHBondContact N-OD2 3.38Å; S166-D169 PolarHBondContact O-N 3.47Å
170	K	88.8	Confident	80.4	Confident	62 Å²	62	82.5 Å²	82.5	27%	0.27	45%	0.453	S	S	.	.	S	Bend	trans	-99.8	125.1	-175.1	-62.6	173.1	-177.3	173.2	0	110.2	D163 T165 R168 Q172	D163-K170 IonicContact OD1-NZ 3.56Å; D163-K170 PolarHBondContact OD1-NZ 2.74Å; D163-K170 IonicContact OD2-NZ 3.11Å; D163-K170 PolarHBondContact OD2-NZ 3.32Å; T165-K170 PolarHBondContact O-NZ 3.19Å; T165-K170 WeakPolarHBondContact OG1-CE 3.16Å; T165-K170 PolarHBondContact OG1-NZ 3.02Å; R168-K170 VanDerWaalsContact C-N 3.27Å; K170-Q172 HydrophobicContact CB-CG 4.27Å; K170-Q172 VanDerWaalsContact O-CG 3.32Å; K170-Q172 WeakPolarHBondContact O-CG 3.37Å; K170-Q172 PolarHBondContact O-N 3.12Å; K170-Q172 VanDerWaalsContact O-N 3.1Å
171	Q	86	Confident	83.3	Confident	185 Å²	185	79.5 Å²	79.5	86%	0.864	43%	0.431	S	S	*	.			trans	-73.7	103.5	169.5	-172.4	174	50.2	0	0	109.7
172	Q	93.3	Very high	86.1	Confident	26 Å²	26	74.1 Å²	74.1	12%	0.121	39%	0.393	C	S	.	.			trans	-94.9	146.1	-177	-43.9	-159.8	25.2	0	0	111.6	P167 K170 G179 F181 I183	P167-Q172 PolarHBondContact O-NE2 3.15Å; K170-Q172 HydrophobicContact CB-CG 4.27Å; K170-Q172 VanDerWaalsContact O-CG 3.32Å; K170-Q172 WeakPolarHBondContact O-CG 3.37Å; K170-Q172 PolarHBondContact O-N 3.12Å; K170-Q172 VanDerWaalsContact O-N 3.1Å; Q172-G179 VanDerWaalsContact O-CA 3.3Å; Q172-G179 WeakPolarHBondContact O-CA 3.48Å; Q172-F181 HydrophobicContact CB-CD2 4.28Å; Q172-F181 HydrophobicContact CB-CE2 3.6Å; Q172-F181 HydrophobicContact CB-CZ 4.02Å; Q172-I183 PolarHBondContact NE2-O 2.85Å; Q172-I183 VanDerWaalsContact OE1-CG1 3.28Å; Q172-I183 PolarHBondContact OE1-O 3.17Å
173	K	96	Very high	88.6	Confident	127 Å²	127	68.3 Å²	68.3	55%	0.552	36%	0.362	S	S	*	.			trans	-145	146.9	168	-67.4	-172.3	-179.8	-177.2	0	110.6	N178	K173-N178 CarbonylContact C-O 3.09Å; K173-N178 WeakPolarHBondContact CA-O 3.45Å
174	N	95.9	Very high	90.7	Very high	10 Å²	10	68.4 Å²	68.4	5%	0.053	36%	0.36	C	S	.	.			trans	-86.6	175.2	169.6	71	9.6	0	0	0	111.6	K176 G177 N178 F181 I186 A267 E268	N174-K176 PolarHBondContact O-N 3.3Å; N174-K176 VanDerWaalsContact O-N 3.1Å; N174-K176 WeakPolarHBondContact OD1-CA 3.32Å; N174-K176 WeakPolarHBondContact OD1-CB 3.27Å; N174-K176 PolarHBondContact OD1-N 3.1Å; N174-K176 VanDerWaalsContact OD1-N 3.17Å; N174-G177 PolarHBondContact O-N 3.41Å; N174-G177 PolarHBondContact OD1-N 3.32Å; N174-G177 VanDerWaalsContact OD1-N 3.15Å; N174-N178 PolarHBondContact N-O 3.3Å; N174-N178 PolarHBondContact OD1-N 3.05Å; N174-N178 PolarHBondContact OD1-O 2.99Å; N174-F181 HydrophobicContact CB-CE1 3.89Å; N174-F181 HydrophobicContact CB-CZ 4.22Å; N174-I186 HydrophobicContact CB-CD1 4.4Å; N174-A267 PolarHBondContact ND2-O 2.94Å; N174-E268 WeakPolarHBondContact CA-OE2 3.47Å; N174-E268 WeakPolarHBondContact CB-OE2 3.38Å
175	S	95.1	Very high	92.4	Very high	100 Å²	100	62.1 Å²	62.1	70%	0.699	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.6	-179.3	72.6	0	0	0	0	113.9	G177 E268	S175-G177 VanDerWaalsContact C-N 3.3Å; S175-E268 WeakPolarHBondContact CB-OE1 3.38Å; S175-E268 PolarHBondContact N-OE1 2.95Å; S175-E268 PolarHBondContact N-OE2 3.35Å; S175-E268 PolarHBondContact OG-OE1 3.11Å
176	K	95.4	Very high	93.4	Very high	141 Å²	141	60.3 Å²	60.3	61%	0.613	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	0.4	178.2	-59	155.3	-172.1	151.2	0	112.9	N174 N178 E268 G269	N174-K176 PolarHBondContact O-N 3.3Å; N174-K176 VanDerWaalsContact O-N 3.1Å; N174-K176 WeakPolarHBondContact OD1-CA 3.32Å; N174-K176 WeakPolarHBondContact OD1-CB 3.27Å; N174-K176 PolarHBondContact OD1-N 3.1Å; N174-K176 VanDerWaalsContact OD1-N 3.17Å; K176-N178 VanDerWaalsContact C-N 3.33Å; K176-N178 PolarHBondContact O-N 3.38Å; K176-E268 PolarHBondContact NZ-O 3.29Å; K176-G269 PolarHBondContact NZ-O 3.03Å
177	G	93.6	Very high	93.9	Very high	42 Å²	42	67.6 Å²	67.6	43%	0.433	35%	0.348	S	S	.	.	S	Bend	trans	80.6	2.2	178.1	0	0	0	0	0	115.9	N174 S175	N174-G177 PolarHBondContact O-N 3.41Å; N174-G177 PolarHBondContact OD1-N 3.32Å; N174-G177 VanDerWaalsContact OD1-N 3.15Å; S175-G177 VanDerWaalsContact C-N 3.3Å
178	N	93.5	Very high	94.1	Very high	60 Å²	60	70.6 Å²	70.6	32%	0.321	36%	0.361	S	S	.	.			trans	-72.1	143	172.1	-175.3	17.5	0	0	0	110	K173 N174 K176 D180 F181	K173-N178 CarbonylContact C-O 3.09Å; K173-N178 WeakPolarHBondContact CA-O 3.45Å; N174-N178 PolarHBondContact N-O 3.3Å; N174-N178 PolarHBondContact OD1-N 3.05Å; N174-N178 PolarHBondContact OD1-O 2.99Å; K176-N178 VanDerWaalsContact C-N 3.33Å; K176-N178 PolarHBondContact O-N 3.38Å; N178-D180 WeakPolarHBondContact OD1-CB 3.5Å; N178-D180 PolarHBondContact OD1-N 3.41Å; N178-F181 WeakPolarHBondContact O-CE1 3.22Å
179	G	94.3	Very high	94.5	Very high	40 Å²	40	66.6 Å²	66.6	41%	0.412	35%	0.348	S	S	.	.			trans	-131.4	16.7	177.2	0	0	0	0	0	114.1	Q172 F181	Q172-G179 VanDerWaalsContact O-CA 3.3Å; Q172-G179 WeakPolarHBondContact O-CA 3.48Å; G179-F181 PolarHBondContact O-N 3.17Å
180	D	95.6	Very high	95	Very high	57 Å²	57	66.2 Å²	66.2	31%	0.305	35%	0.346	S	S	.	.			trans	-79.4	54.2	176.6	177.2	44.9	0	0	0	112.1	N178 R249 S272	N178-D180 WeakPolarHBondContact OD1-CB 3.5Å; N178-D180 PolarHBondContact OD1-N 3.41Å; D180-R249 IonicContact OD1-CZ 2.71Å; D180-R249 IonicContact OD1-NH1 3.66Å; D180-R249 PolarHBondContact OD1-NH1 3.03Å; D180-R249 IonicContact OD1-NH2 3.15Å; D180-R249 PolarHBondContact OD1-NH2 3.48Å; D180-R249 IonicContact OD2-CZ 2.68Å; D180-R249 IonicContact OD2-NH1 3.22Å; D180-R249 PolarHBondContact OD2-NH1 3.12Å; D180-R249 IonicContact OD2-NH2 2.82Å; D180-S272 VanDerWaalsContact O-CA 3.25Å; D180-S272 WeakPolarHBondContact O-CA 3.25Å; D180-S272 VanDerWaalsContact O-CB 3.31Å; D180-S272 WeakPolarHBondContact O-CB 3.43Å; D180-S272 WeakPolarHBondContact OD2-CB 3.3Å; D180-S272 PolarHBondContact OD2-OG 3.1Å
181	F	97.3	Very high	95.4	Very high	9 Å²	9	67.4 Å²	67.4	4%	0.039	35%	0.351	C	S	.	.			trans	-156.2	165	177.2	63.8	-98.6	0	0	0	110.9	Q172 N174 N178 G179 I183 I186 A267 V273	Q172-F181 HydrophobicContact CB-CD2 4.28Å; Q172-F181 HydrophobicContact CB-CE2 3.6Å; Q172-F181 HydrophobicContact CB-CZ 4.02Å; N174-F181 HydrophobicContact CB-CE1 3.89Å; N174-F181 HydrophobicContact CB-CZ 4.22Å; N178-F181 WeakPolarHBondContact O-CE1 3.22Å; G179-F181 PolarHBondContact O-N 3.17Å; F181-I183 HydrophobicContact CD2-CD1 4.16Å; F181-I183 HydrophobicContact CD2-CG1 3.91Å; F181-I183 HydrophobicContact CD2-CG2 4.43Å; F181-I183 HydrophobicContact CE2-CD1 3.99Å; F181-I183 HydrophobicContact CE2-CG1 3.95Å; F181-I186 HydrophobicContact CE2-CD1 4.08Å; F181-I186 HydrophobicContact CZ-CD1 3.88Å; F181-I186 HydrophobicContact CZ-CG1 4.23Å; F181-A267 HydrophobicContact CB-CB 4.14Å; F181-A267 HydrophobicContact CD1-CB 3.93Å; F181-A267 HydrophobicContact CD2-CB 3.71Å; F181-A267 HydrophobicContact CE1-CB 4.18Å; F181-A267 HydrophobicContact CE2-CB 3.97Å; F181-A267 HydrophobicContact CG-CB 3.68Å; F181-A267 HydrophobicContact CZ-CB 4.19Å; F181-V273 CarbonylContact C-O 3.1Å; F181-V273 VanDerWaalsContact CA-O 3.27Å; F181-V273 WeakPolarHBondContact CA-O 3.27Å; F181-V273 VanDerWaalsContact CB-O 3.28Å; F181-V273 WeakPolarHBondContact CB-O 3.4Å
182	C	97.8	Very high	95.9	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.034	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-146.7	114.5	172	-169.1	0	0	0	0	110.2	P167 V273 F274 A275 W276 W286	P167-C182 VanDerWaalsContact C-SG 3.51Å; P167-C182 PolarHBondContact O-SG 3.32Å; C182-V273 PolarHBondContact N-O 3.31Å; C182-F274 HydrophobicContact CB-CD1 3.61Å; C182-F274 HydrophobicContact CB-CE1 4.16Å; C182-F274 HydrophobicContact CB-CG 4.48Å; C182-F274 CarbonylContact O-C 3.59Å; C182-F274 WeakPolarHBondContact O-CA 3.33Å; C182-A275 PolarHBondContact O-N 3.25Å; C182-W276 HydrophobicContact CB-CZ3 4.38Å; C182-W286 HydrophobicContact CB-CH2 3.92Å; C182-W286 HydrophobicContact CB-CZ3 3.86Å
183	I	97.2	Very high	96.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.316	C	S	.	.			trans	-143.9	167.1	-172.3	61.9	171.4	0	0	0	111.1	P167 Q172 F181 I186 A263 A264 A267 V273 A275	P167-I183 WeakPolarHBondContact CB-O 3.43Å; Q172-I183 PolarHBondContact NE2-O 2.85Å; Q172-I183 VanDerWaalsContact OE1-CG1 3.28Å; Q172-I183 PolarHBondContact OE1-O 3.17Å; F181-I183 HydrophobicContact CD2-CD1 4.16Å; F181-I183 HydrophobicContact CD2-CG1 3.91Å; F181-I183 HydrophobicContact CD2-CG2 4.43Å; F181-I183 HydrophobicContact CE2-CD1 3.99Å; F181-I183 HydrophobicContact CE2-CG1 3.95Å; I183-I186 HydrophobicContact CD1-CB 4.08Å; I183-I186 HydrophobicContact CD1-CD1 3.82Å; I183-A263 HydrophobicContact CB-CB 4.34Å; I183-A263 HydrophobicContact CG2-CB 3.79Å; I183-A264 VanDerWaalsContact CD1-CA 3.45Å; I183-A264 HydrophobicContact CD1-CB 3.83Å; I183-A267 HydrophobicContact CD1-CB 3.87Å; I183-V273 HydrophobicContact CG2-CG1 4.31Å; I183-A275 WeakPolarHBondContact CA-O 3.27Å
184	K	95.2	Very high	96.3	Very high	56 Å²	56	60.5 Å²	60.5	24%	0.243	31%	0.313	C	S	.	.	S	Bend	trans	-63.1	-50.8	-179.3	-165.7	58.1	168.5	167.4	0	113.3	D163 P167 N260 W276	D163-K184 PolarHBondContact O-NZ 2.88Å; D163-K184 WeakPolarHBondContact OD2-CD 3.21Å; D163-K184 WeakPolarHBondContact OD2-CE 3.16Å; D163-K184 IonicContact OD2-NZ 3.65Å; D163-K184 PolarHBondContact OD2-NZ 2.99Å; P167-K184 HydrophobicContact CG-CD 4.01Å; K184-N260 HydrophobicContact CB-CB 4.12Å; K184-W276 HydrophobicContact CB-CB 3.96Å
185	N	94.8	Very high	96.4	Very high	59 Å²	59	63.1 Å²	63.1	32%	0.316	33%	0.325	S	S	.	.			trans	-158.5	106.6	-176.5	-175.6	1.2	0	0	0	113.4	K187 Q188 A264	N185-K187 PolarHBondContact O-N 2.95Å; N185-K187 VanDerWaalsContact O-N 3.1Å; N185-K187 VanDerWaalsContact OD1-CB 3.28Å; N185-K187 WeakPolarHBondContact OD1-CB 3.35Å; N185-K187 WeakPolarHBondContact OD1-CG 3.42Å; N185-K187 PolarHBondContact OD1-N 3.49Å; N185-Q188 HydrophobicContact CB-CG 4.45Å; N185-Q188 PolarHBondContact O-N 3.04Å; N185-A264 WeakPolarHBondContact O-CB 3.49Å
186	I	96	Very high	96.5	Very high	35 Å²	35	58.3 Å²	58.3	18%	0.179	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-57.4	-25	178	-166.9	63.4	0	0	0	114	N174 F181 I183 Q188 A189 A267 E268	N174-I186 HydrophobicContact CB-CD1 4.4Å; F181-I186 HydrophobicContact CE2-CD1 4.08Å; F181-I186 HydrophobicContact CZ-CD1 3.88Å; F181-I186 HydrophobicContact CZ-CG1 4.23Å; I183-I186 HydrophobicContact CD1-CB 4.08Å; I183-I186 HydrophobicContact CD1-CD1 3.82Å; I186-Q188 PolarHBondContact O-N 3.36Å; I186-Q188 VanDerWaalsContact O-N 3.1Å; I186-A189 WeakPolarHBondContact O-CB 3.39Å; I186-A189 PolarHBondContact O-N 2.75Å; I186-A189 VanDerWaalsContact O-N 3.14Å; I186-A267 HydrophobicContact CD1-CB 3.76Å; I186-E268 HydrophobicContact CD1-CB 4.03Å
187	K	96	Very high	96.7	Very high	184 Å²	184	55.9 Å²	55.9	80%	0.8	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-67	-10.9	-179.9	-58.1	176.9	-178.5	174.6	0	113.8	N185 A189	N185-K187 PolarHBondContact O-N 2.95Å; N185-K187 VanDerWaalsContact O-N 3.1Å; N185-K187 VanDerWaalsContact OD1-CB 3.28Å; N185-K187 WeakPolarHBondContact OD1-CB 3.35Å; N185-K187 WeakPolarHBondContact OD1-CG 3.42Å; N185-K187 PolarHBondContact OD1-N 3.49Å; K187-A189 VanDerWaalsContact C-N 3.31Å
188	Q	96.5	Very high	96.8	Very high	64 Å²	64	58.5 Å²	58.5	30%	0.299	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-85.9	0.3	176	-66	179.2	-32.2	0	0	113.4	N185 I186 D190 F191 G192 E261 A264	N185-Q188 HydrophobicContact CB-CG 4.45Å; N185-Q188 PolarHBondContact O-N 3.04Å; I186-Q188 PolarHBondContact O-N 3.36Å; I186-Q188 VanDerWaalsContact O-N 3.1Å; Q188-D190 VanDerWaalsContact C-N 3.34Å; Q188-D190 PolarHBondContact O-N 3.16Å; Q188-F191 PolarHBondContact O-N 3.31Å; Q188-G192 PolarHBondContact O-N 3.1Å; Q188-G192 VanDerWaalsContact O-N 3.08Å; Q188-E261 HydrophobicContact CB-CB 4.01Å; Q188-A264 HydrophobicContact CB-CB 4.27Å
189	A	97.9	Very high	97	Very high	8 Å²	8	55.7 Å²	55.7	7%	0.066	27%	0.27	C	S	.	.	H	α-helix	trans	-54.6	-41.9	-175.3	0	0	0	0	0	114.1	I186 K187 F191 G192 R193 A264 A265 E268	I186-A189 WeakPolarHBondContact O-CB 3.39Å; I186-A189 PolarHBondContact O-N 2.75Å; I186-A189 VanDerWaalsContact O-N 3.14Å; K187-A189 VanDerWaalsContact C-N 3.31Å; A189-F191 VanDerWaalsContact C-N 3.26Å; A189-F191 PolarHBondContact O-N 3.24Å; A189-G192 PolarHBondContact O-N 2.95Å; A189-R193 VanDerWaalsContact O-CB 3.26Å; A189-R193 WeakPolarHBondContact O-CB 3.13Å; A189-R193 PolarHBondContact O-N 3.08Å; A189-A264 HydrophobicContact CB-CB 4.13Å; A189-A265 WeakPolarHBondContact O-CB 3.5Å; A189-E268 HydrophobicContact CB-CB 3.63Å; A189-E268 HydrophobicContact CB-CG 4.03Å
190	D	98.1	Very high	97.2	Very high	120 Å²	120	56 Å²	56	64%	0.642	26%	0.261	S	S	*	.	H	α-helix	trans	-63.5	-31.4	178	-68.9	-11.7	0	0	0	112.7	Q188 R194	Q188-D190 VanDerWaalsContact C-N 3.34Å; Q188-D190 PolarHBondContact O-N 3.16Å; D190-R194 PolarHBondContact O-NH1 3.46Å
191	F	97.5	Very high	97.2	Very high	88 Å²	88	60.3 Å²	60.3	39%	0.386	28%	0.279	S	S	.	.	H	α-helix	trans	-76.6	-48.9	177.4	178.7	-124	0	0	0	110.9	Q188 A189 R193 R194 E195 E261	Q188-F191 PolarHBondContact O-N 3.31Å; A189-F191 VanDerWaalsContact C-N 3.26Å; A189-F191 PolarHBondContact O-N 3.24Å; F191-R193 PolarHBondContact O-N 3.3Å; F191-R194 PolarHBondContact O-N 3.43Å; F191-R194 VanDerWaalsContact O-N 3.08Å; F191-E195 HydrophobicContact CE2-CG 4.42Å; F191-E195 HydrophobicContact CZ-CG 4.27Å; F191-E195 PolarHBondContact O-N 3.12Å; F191-E195 VanDerWaalsContact O-N 3.15Å; F191-E261 HydrophobicContact CD1-CB 3.68Å; F191-E261 HydrophobicContact CD1-CG 3.78Å; F191-E261 HydrophobicContact CE1-CB 4.3Å; F191-E261 HydrophobicContact CE1-CG 3.9Å
192	G	98	Very high	97.2	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.2	-28.5	175	0	0	0	0	0	113.4	Q188 A189 E195 I196 E261 A265	Q188-G192 PolarHBondContact O-N 3.1Å; Q188-G192 VanDerWaalsContact O-N 3.08Å; A189-G192 PolarHBondContact O-N 2.95Å; G192-E195 PolarHBondContact O-N 3.21Å; G192-I196 VanDerWaalsContact O-CG1 3.25Å; G192-I196 WeakPolarHBondContact O-CG1 3.34Å; G192-I196 PolarHBondContact O-N 3.19Å; G192-E261 WeakPolarHBondContact CA-O 3.38Å; G192-A265 VanDerWaalsContact C-CB 3.45Å
193	R	98.6	Very high	97.2	Very high	64 Å²	64	64 Å²	64	24%	0.242	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-41.1	173.8	-179.1	48.9	51.6	-173.7	-2.6	111.5	A189 F191 I196 E197 E239 A265	A189-R193 VanDerWaalsContact O-CB 3.26Å; A189-R193 WeakPolarHBondContact O-CB 3.13Å; A189-R193 PolarHBondContact O-N 3.08Å; F191-R193 PolarHBondContact O-N 3.3Å; R193-I196 PolarHBondContact O-N 2.86Å; R193-E197 WeakPolarHBondContact CD-OE1 3.24Å; R193-E197 WeakPolarHBondContact CG-OE1 3.5Å; R193-E197 VanDerWaalsContact O-CG 3.27Å; R193-E197 WeakPolarHBondContact O-CG 3.45Å; R193-E197 PolarHBondContact O-N 3.19Å; R193-E239 IonicContact CZ-OE1 3.32Å; R193-E239 IonicContact NH1-OE1 3.57Å; R193-E239 PolarHBondContact NH1-OE1 3.49Å; R193-E239 IonicContact NH1-OE2 3.55Å; R193-E239 PolarHBondContact NH1-OE2 3.05Å; R193-E239 IonicContact NH2-OE1 2.68Å; R193-E239 PolarHBondContact NH2-OE1 3.4Å; R193-A265 HydrophobicContact CB-CB 4.3Å; R193-A265 VanDerWaalsContact N-CB 3.35Å; R193-A265 PolarHBondContact NH2-O 3.11Å; R193-A265 VanDerWaalsContact NH2-O 3.14Å
194	R	98.4	Very high	97.2	Very high	128 Å²	128	65.3 Å²	65.3	48%	0.483	31%	0.305	S	S	.	.	H	α-helix	trans	-66.5	-39	173.6	-68.4	-176.7	-68	-87.8	5.3	112.4	D190 F191 I196 E197 I198	D190-R194 PolarHBondContact O-NH1 3.46Å; F191-R194 PolarHBondContact O-N 3.43Å; F191-R194 VanDerWaalsContact O-N 3.08Å; R194-I196 VanDerWaalsContact C-N 3.33Å; R194-I196 PolarHBondContact O-N 3.24Å; R194-E197 PolarHBondContact O-N 3.39Å; R194-I198 VanDerWaalsContact O-CG1 3.27Å; R194-I198 WeakPolarHBondContact O-CG1 3.3Å; R194-I198 PolarHBondContact O-N 3.12Å
195	E	97.2	Very high	97.3	Very high	65 Å²	65	62.7 Å²	62.7	30%	0.304	29%	0.293	S	S	.	.	H	α-helix	trans	-62.7	-38.7	173.6	-64.3	-63.6	118.1	0	0	111.9	F191 G192 A199 A232 V262	F191-E195 HydrophobicContact CE2-CG 4.42Å; F191-E195 HydrophobicContact CZ-CG 4.27Å; F191-E195 PolarHBondContact O-N 3.12Å; F191-E195 VanDerWaalsContact O-N 3.15Å; G192-E195 PolarHBondContact O-N 3.21Å; E195-A199 WeakPolarHBondContact O-CB 3.26Å; E195-A199 PolarHBondContact O-N 2.85Å; E195-A232 HydrophobicContact CB-CB 4.3Å; E195-V262 HydrophobicContact CB-CG2 4.28Å
196	I	98.4	Very high	97.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-49.2	172.3	-66.4	165.6	0	0	0	110.6	G192 R193 R194 I198 A199 E200 A235 V236 V262 A265	G192-I196 VanDerWaalsContact O-CG1 3.25Å; G192-I196 WeakPolarHBondContact O-CG1 3.34Å; G192-I196 PolarHBondContact O-N 3.19Å; R193-I196 PolarHBondContact O-N 2.86Å; R194-I196 VanDerWaalsContact C-N 3.33Å; R194-I196 PolarHBondContact O-N 3.24Å; I196-I198 VanDerWaalsContact C-N 3.26Å; I196-I198 PolarHBondContact O-N 2.93Å; I196-A199 CarbonylContact O-C 3.49Å; I196-A199 WeakPolarHBondContact O-CA 3.44Å; I196-A199 WeakPolarHBondContact O-CB 3.46Å; I196-A199 PolarHBondContact O-N 2.97Å; I196-E200 HydrophobicContact CG2-CG 4.37Å; I196-E200 WeakPolarHBondContact O-CG 3.23Å; I196-E200 PolarHBondContact O-N 2.92Å; I196-A235 HydrophobicContact CD1-CB 3.67Å; I196-A235 HydrophobicContact CG1-CB 3.74Å; I196-V236 HydrophobicContact CG2-CG2 3.88Å; I196-V262 HydrophobicContact CD1-CG1 4.22Å; I196-V262 HydrophobicContact CG1-CG1 4.21Å; I196-A265 HydrophobicContact CD1-CB 3.68Å
197	E	98.2	Very high	97.5	Very high	89 Å²	89	60.6 Å²	60.6	42%	0.416	28%	0.282	S	S	.	.	H	α-helix	trans	-62.1	-31	179.8	-72.7	162.2	-176.6	0	0	113	R193 R194 Q201	R193-E197 WeakPolarHBondContact CD-OE1 3.24Å; R193-E197 WeakPolarHBondContact CG-OE1 3.5Å; R193-E197 VanDerWaalsContact O-CG 3.27Å; R193-E197 WeakPolarHBondContact O-CG 3.45Å; R193-E197 PolarHBondContact O-N 3.19Å; R194-E197 PolarHBondContact O-N 3.39Å; E197-Q201 PolarHBondContact O-NE2 3.31Å
198	I	97.2	Very high	97.5	Very high	97 Å²	97	53 Å²	53	50%	0.497	25%	0.253	S	S	.	.	H	α-helix	trans	-70.2	-43.9	169.4	-69.2	164	0	0	0	110.2	R194 I196 E200 Q201	R194-I198 VanDerWaalsContact O-CG1 3.27Å; R194-I198 WeakPolarHBondContact O-CG1 3.3Å; R194-I198 PolarHBondContact O-N 3.12Å; I196-I198 VanDerWaalsContact C-N 3.26Å; I196-I198 PolarHBondContact O-N 2.93Å; I198-E200 PolarHBondContact O-N 3.05Å; I198-Q201 PolarHBondContact O-N 2.97Å
199	A	97.4	Very high	97.5	Very high	2 Å²	2	50 Å²	50	2%	0.017	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-37.5	178.2	0	0	0	0	0	112.9	E195 I196 Q201 E202 M203 A232 V236 T528	E195-A199 WeakPolarHBondContact O-CB 3.26Å; E195-A199 PolarHBondContact O-N 2.85Å; I196-A199 CarbonylContact O-C 3.49Å; I196-A199 WeakPolarHBondContact O-CA 3.44Å; I196-A199 WeakPolarHBondContact O-CB 3.46Å; I196-A199 PolarHBondContact O-N 2.97Å; A199-Q201 PolarHBondContact O-N 2.99Å; A199-E202 CarbonylContact O-C 3.5Å; A199-E202 PolarHBondContact O-N 2.91Å; A199-E202 VanDerWaalsContact O-N 3.08Å; A199-M203 HydrophobicContact CB-SD 4.43Å; A199-M203 VanDerWaalsContact O-CG 3.24Å; A199-M203 WeakPolarHBondContact O-CG 3.42Å; A199-M203 PolarHBondContact O-N 3.47Å; A199-M203 VanDerWaalsContact O-N 3.12Å; A199-A232 HydrophobicContact CB-CB 3.89Å; A199-V236 HydrophobicContact CB-CG2 3.96Å; A199-T528 HydrophobicContact CB-CG2 4.1Å
200	E	98.1	Very high	97.4	Very high	45 Å²	45	51.9 Å²	51.9	21%	0.21	24%	0.244	C	C	.	.	H	α-helix	trans	-57	-35.5	178.2	-72	-169.3	147.2	0	0	113.5	I196 I198 E202 M203 M207 R210 V236	I196-E200 HydrophobicContact CG2-CG 4.37Å; I196-E200 WeakPolarHBondContact O-CG 3.23Å; I196-E200 PolarHBondContact O-N 2.92Å; I198-E200 PolarHBondContact O-N 3.05Å; E200-E202 VanDerWaalsContact C-N 3.29Å; E200-E202 PolarHBondContact O-N 3.15Å; E200-M203 PolarHBondContact O-N 2.61Å; E200-M207 HydrophobicContact CB-CE 3.92Å; E200-M207 HydrophobicContact CB-SD 3.98Å; E200-M207 HydrophobicContact CG-CE 3.63Å; E200-M207 HydrophobicContact CG-SD 4.11Å; E200-M207 WeakPolarHBondContact O-CG 3.36Å; E200-R210 IonicContact OE1-CZ 3.29Å; E200-R210 IonicContact OE1-NH1 2.75Å; E200-R210 PolarHBondContact OE1-NH1 3.29Å; E200-R210 IonicContact OE1-NH2 3.15Å; E200-R210 PolarHBondContact OE1-NH2 2.85Å; E200-R210 VanDerWaalsContact OE1-NH2 3.15Å; E200-V236 HydrophobicContact CG-CG1 4.15Å; E200-V236 HydrophobicContact CG-CG2 3.66Å
201	Q	96.4	Very high	97.2	Very high	149 Å²	149	53.4 Å²	53.4	70%	0.696	25%	0.245	S	C	*	.	H	α-helix	trans	-65.2	-33.9	178.9	-66.9	165.6	64.3	0	0	112	E197 I198 A199	E197-Q201 PolarHBondContact O-NE2 3.31Å; I198-Q201 PolarHBondContact O-N 2.97Å; A199-Q201 PolarHBondContact O-N 2.99Å
202	E	96.4	Very high	96.7	Very high	90 Å²	90	52.6 Å²	52.6	42%	0.421	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	6.4	177.4	-75.3	-75	112.6	0	0	112.9	A199 E200 P204 T528 F529	A199-E202 CarbonylContact O-C 3.5Å; A199-E202 PolarHBondContact O-N 2.91Å; A199-E202 VanDerWaalsContact O-N 3.08Å; E200-E202 VanDerWaalsContact C-N 3.29Å; E200-E202 PolarHBondContact O-N 3.15Å; E202-P204 VanDerWaalsContact O-CD 3.26Å; E202-P204 WeakPolarHBondContact O-CD 3.43Å; E202-T528 HydrophobicContact CB-CG2 3.44Å; E202-T528 VanDerWaalsContact CB-CG2 3.44Å; E202-F529 WeakPolarHBondContact O-CA 3.44Å
203	M	98.1	Very high	96.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.242	C	C	.	.			trans	-118.6	57.4	178.2	-63.6	-176.6	96.2	0	0	113	A199 E200 A205 L206 M207 Q233 V236 T528 S532 A535	A199-M203 HydrophobicContact CB-SD 4.43Å; A199-M203 VanDerWaalsContact O-CG 3.24Å; A199-M203 WeakPolarHBondContact O-CG 3.42Å; A199-M203 PolarHBondContact O-N 3.47Å; A199-M203 VanDerWaalsContact O-N 3.12Å; E200-M203 PolarHBondContact O-N 2.61Å; M203-A205 VanDerWaalsContact C-N 3.34Å; M203-A205 PolarHBondContact O-N 3.39Å; M203-L206 HydrophobicContact CB-CB 4.44Å; M203-L206 HydrophobicContact CB-CD1 4.44Å; M203-L206 HydrophobicContact CE-CD1 3.57Å; M203-L206 PolarHBondContact O-N 2.92Å; M203-L206 HydrophobicContact SD-CD1 4.27Å; M203-M207 PolarHBondContact O-N 2.65Å; M203-M207 VanDerWaalsContact O-N 3.12Å; M203-Q233 HydrophobicContact CE-CB 3.71Å; M203-Q233 HydrophobicContact CE-CG 4.29Å; M203-Q233 HydrophobicContact SD-CB 3.88Å; M203-Q233 HydrophobicContact SD-CG 4.07Å; M203-V236 HydrophobicContact CB-CG1 4.1Å; M203-V236 HydrophobicContact SD-CB 3.58Å; M203-V236 VanDerWaalsContact SD-CB 3.58Å; M203-V236 HydrophobicContact SD-CG1 3.7Å; M203-V236 HydrophobicContact SD-CG2 3.95Å; M203-T528 HydrophobicContact CG-CG2 3.49Å; M203-T528 VanDerWaalsContact CG-CG2 3.49Å; M203-T528 HydrophobicContact SD-CG2 4.01Å; M203-S532 VanDerWaalsContact CA-OG 3.3Å; M203-S532 WeakPolarHBondContact CA-OG 3.27Å; M203-A535 HydrophobicContact CE-CB 4.03Å
204	P	96.6	Very high	95.5	Very high	29 Å²	29	58 Å²	58	19%	0.188	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-36.6	-166.9	27.1	-38	0	0	0	113.5	E202 M207 A208 F529 T575	E202-P204 VanDerWaalsContact O-CD 3.26Å; E202-P204 WeakPolarHBondContact O-CD 3.43Å; P204-M207 PolarHBondContact O-N 3.02Å; P204-A208 WeakPolarHBondContact O-CB 3.42Å; P204-A208 PolarHBondContact O-N 3.02Å; P204-F529 HydrophobicContact CG-CE2 4.04Å; P204-T575 WeakPolarHBondContact CG-OG1 3.27Å
205	A	97.4	Very high	94.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-70.6	-38	-179.1	0	0	0	0	0	112.4	M203 A208 L209 T536 L571 H572	M203-A205 VanDerWaalsContact C-N 3.34Å; M203-A205 PolarHBondContact O-N 3.39Å; A205-A208 PolarHBondContact O-N 3.25Å; A205-L209 WeakPolarHBondContact O-CG 3.46Å; A205-L209 PolarHBondContact O-N 2.96Å; A205-T536 HydrophobicContact CB-CG2 3.87Å; A205-T536 WeakPolarHBondContact CB-OG1 3.42Å; A205-L571 HydrophobicContact CB-CB 3.53Å; A205-L571 HydrophobicContact CB-CD1 4.23Å; A205-H572 WeakPolarHBondContact CB-CE1 3.47Å; A205-H572 WeakPolarHBondContact CB-NE2 3.25Å
206	L	98	Very high	94.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-40.1	171.8	-66.2	-173.6	0	0	0	111	M203 A208 L209 R210 V236 L237 T240 A535 A539	M203-L206 HydrophobicContact CB-CB 4.44Å; M203-L206 HydrophobicContact CB-CD1 4.44Å; M203-L206 HydrophobicContact CE-CD1 3.57Å; M203-L206 PolarHBondContact O-N 2.92Å; M203-L206 HydrophobicContact SD-CD1 4.27Å; L206-A208 VanDerWaalsContact C-N 3.34Å; L206-A208 PolarHBondContact O-N 3.31Å; L206-L209 HydrophobicContact CD2-CD1 4.41Å; L206-L209 PolarHBondContact O-N 3.27Å; L206-R210 WeakPolarHBondContact O-CG 3.38Å; L206-R210 PolarHBondContact O-N 3.41Å; L206-V236 HydrophobicContact CB-CG1 4.27Å; L206-V236 HydrophobicContact CD1-CB 4.48Å; L206-V236 HydrophobicContact CD1-CG1 3.8Å; L206-L237 HydrophobicContact CD1-CB 4.36Å; L206-T240 HydrophobicContact CB-CG2 4.3Å; L206-T240 HydrophobicContact CD2-CG2 4.13Å; L206-A535 HydrophobicContact CD1-CB 3.95Å; L206-A539 HydrophobicContact CD2-CB 4.43Å
207	M	97.8	Very high	94.1	Very high	51 Å²	51	62.7 Å²	62.7	25%	0.251	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-40	173.2	-64.8	-53.8	110.4	0	0	112.3	E200 M203 P204 L209 R210 K211 V236	E200-M207 HydrophobicContact CB-CE 3.92Å; E200-M207 HydrophobicContact CB-SD 3.98Å; E200-M207 HydrophobicContact CG-CE 3.63Å; E200-M207 HydrophobicContact CG-SD 4.11Å; E200-M207 WeakPolarHBondContact O-CG 3.36Å; M203-M207 PolarHBondContact O-N 2.65Å; M203-M207 VanDerWaalsContact O-N 3.12Å; P204-M207 PolarHBondContact O-N 3.02Å; M207-L209 VanDerWaalsContact C-N 3.35Å; M207-L209 PolarHBondContact O-N 3.15Å; M207-R210 PolarHBondContact O-N 3.3Å; M207-K211 PolarHBondContact O-N 3.08Å; M207-V236 HydrophobicContact CE-CG1 3.45Å; M207-V236 VanDerWaalsContact CE-CG1 3.45Å
208	A	95.8	Very high	94	Very high	23 Å²	23	59.3 Å²	59.3	19%	0.19	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-38.7	173.4	0	0	0	0	0	112.2	P204 A205 L206 K211 R212 L571	P204-A208 WeakPolarHBondContact O-CB 3.42Å; P204-A208 PolarHBondContact O-N 3.02Å; A205-A208 PolarHBondContact O-N 3.25Å; L206-A208 VanDerWaalsContact C-N 3.34Å; L206-A208 PolarHBondContact O-N 3.31Å; A208-K211 PolarHBondContact O-N 2.88Å; A208-R212 VanDerWaalsContact O-CG 3.29Å; A208-R212 WeakPolarHBondContact O-CG 3.38Å; A208-R212 PolarHBondContact O-N 2.94Å; A208-L571 HydrophobicContact CB-CD2 4.09Å
209	L	95.4	Very high	94	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-43.7	172.4	-69.1	-179.7	0	0	0	111.9	A205 L206 M207 K211 R212 A213 T240 T536 A539 L540	A205-L209 WeakPolarHBondContact O-CG 3.46Å; A205-L209 PolarHBondContact O-N 2.96Å; L206-L209 HydrophobicContact CD2-CD1 4.41Å; L206-L209 PolarHBondContact O-N 3.27Å; M207-L209 VanDerWaalsContact C-N 3.35Å; M207-L209 PolarHBondContact O-N 3.15Å; L209-K211 VanDerWaalsContact C-N 3.34Å; L209-K211 PolarHBondContact O-N 3.33Å; L209-R212 PolarHBondContact O-N 2.99Å; L209-A213 WeakPolarHBondContact O-CB 3.42Å; L209-A213 PolarHBondContact O-N 2.92Å; L209-T240 HydrophobicContact CB-CG2 4.1Å; L209-T536 HydrophobicContact CD1-CG2 4.09Å; L209-A539 HydrophobicContact CD1-CB 4.31Å; L209-L540 HydrophobicContact CD1-CD2 4.46Å; L209-L540 HydrophobicContact CD1-CG 4.47Å; L209-L540 HydrophobicContact CD2-CD2 4.29Å
210	R	96	Very high	94	Very high	49 Å²	49	57.3 Å²	57.3	19%	0.185	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-42.6	173.8	-70.3	-173.3	-173.9	-163.8	10.5	112.1	E200 L206 M207 A213 V236 E239 T240 A243	E200-R210 IonicContact OE1-CZ 3.29Å; E200-R210 IonicContact OE1-NH1 2.75Å; E200-R210 PolarHBondContact OE1-NH1 3.29Å; E200-R210 IonicContact OE1-NH2 3.15Å; E200-R210 PolarHBondContact OE1-NH2 2.85Å; E200-R210 VanDerWaalsContact OE1-NH2 3.15Å; L206-R210 WeakPolarHBondContact O-CG 3.38Å; L206-R210 PolarHBondContact O-N 3.41Å; M207-R210 PolarHBondContact O-N 3.3Å; R210-A213 WeakPolarHBondContact O-CB 3.36Å; R210-A213 PolarHBondContact O-N 3.49Å; R210-V236 PolarHBondContact NH2-O 2.72Å; R210-E239 IonicContact CZ-OE2 3.34Å; R210-E239 IonicContact NH1-OE2 2.68Å; R210-E239 PolarHBondContact NH1-OE2 2.78Å; R210-E239 IonicContact NH2-OE2 3.65Å; R210-E239 PolarHBondContact NH2-OE2 2.98Å; R210-T240 HydrophobicContact CG-CG2 3.86Å; R210-T240 PolarHBondContact NE-OG1 3.32Å; R210-A243 HydrophobicContact CG-CB 4.21Å
211	K	94.2	Very high	93.9	Very high	151 Å²	151	57.3 Å²	57.3	66%	0.657	31%	0.309	S	S	*	.	H	α-helix	trans	-62.9	-46.8	176	-173.1	-176.3	176.2	-169.3	0	111.4	M207 A208 L209 A213 Q214	M207-K211 PolarHBondContact O-N 3.08Å; A208-K211 PolarHBondContact O-N 2.88Å; L209-K211 VanDerWaalsContact C-N 3.34Å; L209-K211 PolarHBondContact O-N 3.33Å; K211-A213 VanDerWaalsContact C-N 3.28Å; K211-A213 PolarHBondContact O-N 3.4Å; K211-Q214 WeakPolarHBondContact O-CB 3.21Å; K211-Q214 WeakPolarHBondContact O-CG 3.44Å; K211-Q214 PolarHBondContact O-N 3.39Å
212	R	87.1	Confident	94	Very high	72 Å²	72	50.2 Å²	50.2	27%	0.272	28%	0.276	S	S	.	.	H	α-helix	trans	-65.2	-30.7	177	-67.1	173.5	-150.2	-138.3	-4.3	112.1	E14 A208 L209 Q214 G215 Y567	E14-R212 VanDerWaalsContact CD-NH2 3.25Å; E14-R212 IonicContact OE1-CZ 3.6Å; E14-R212 IonicContact OE1-NH1 3.14Å; E14-R212 IonicContact OE1-NH2 3.94Å; E14-R212 PolarHBondContact OE1-NH2 3.48Å; E14-R212 IonicContact OE2-CZ 2.65Å; E14-R212 IonicContact OE2-NH1 2.71Å; E14-R212 PolarHBondContact OE2-NH1 3.27Å; E14-R212 IonicContact OE2-NH2 2.77Å; E14-R212 PolarHBondContact OE2-NH2 2.68Å; A208-R212 VanDerWaalsContact O-CG 3.29Å; A208-R212 WeakPolarHBondContact O-CG 3.38Å; A208-R212 PolarHBondContact O-N 2.94Å; L209-R212 PolarHBondContact O-N 2.99Å; R212-Q214 PolarHBondContact O-N 2.92Å; R212-Q214 VanDerWaalsContact O-N 3.12Å; R212-G215 PolarHBondContact O-N 3.2Å; R212-Y567 PolarHBondContact NH1-OH 3.47Å
213	A	88.1	Confident	94.1	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.041	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-9.2	178.5	0	0	0	0	0	115.1	L209 R210 K211 G215 E216 A243 L244	L209-A213 WeakPolarHBondContact O-CB 3.42Å; L209-A213 PolarHBondContact O-N 2.92Å; R210-A213 WeakPolarHBondContact O-CB 3.36Å; R210-A213 PolarHBondContact O-N 3.49Å; K211-A213 VanDerWaalsContact C-N 3.28Å; K211-A213 PolarHBondContact O-N 3.4Å; A213-G215 VanDerWaalsContact C-N 3.26Å; A213-G215 PolarHBondContact O-N 2.88Å; A213-E216 WeakPolarHBondContact CA-O 3.25Å; A213-A243 HydrophobicContact CB-CB 4.5Å; A213-L244 HydrophobicContact CB-CD2 3.86Å; A213-L244 HydrophobicContact CB-CG 4.3Å
214	Q	84.3	Confident	94.1	Very high	172 Å²	172	48.3 Å²	48.3	80%	0.804	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-25.2	173	-63.4	-179.2	-4.2	0	0	112.5	K211 R212	K211-Q214 WeakPolarHBondContact O-CB 3.21Å; K211-Q214 WeakPolarHBondContact O-CG 3.44Å; K211-Q214 PolarHBondContact O-N 3.39Å; R212-Q214 PolarHBondContact O-N 2.92Å; R212-Q214 VanDerWaalsContact O-N 3.12Å
215	G	80.4	Confident	94.2	Very high	72 Å²	72	46.9 Å²	46.9	74%	0.742	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-40.3	178.7	0	0	0	0	0	114.9	R212 A213	R212-G215 PolarHBondContact O-N 3.2Å; A213-G215 VanDerWaalsContact C-N 3.26Å; A213-G215 PolarHBondContact O-N 2.88Å
216	E	87.6	Confident	94.3	Very high	90 Å²	90	46.9 Å²	46.9	42%	0.421	26%	0.257	S	S	.	.			trans	-130.4	137.2	179.3	-66.3	-170.8	173.4	0	0	110.4	K9 A213 P218	K9-E216 IonicContact NZ-OE1 2.77Å; K9-E216 PolarHBondContact NZ-OE1 3.19Å; A213-E216 WeakPolarHBondContact CA-O 3.25Å; E216-P218 WeakPolarHBondContact O-CD 3.49Å
217	K	95.1	Very high	94.3	Very high	129 Å²	129	47 Å²	47	56%	0.561	26%	0.257	S	S	*	.			trans	-108.3	82.6	175.9	-70	-163.3	174	-165	0	111.5	L219 A220 L244	K217-L219 PolarHBondContact O-N 3.13Å; K217-A220 HydrophobicContact CB-CB 4.25Å; K217-A220 VanDerWaalsContact O-CB 3.31Å; K217-A220 WeakPolarHBondContact O-CB 3.43Å; K217-A220 PolarHBondContact O-N 2.99Å; K217-A220 VanDerWaalsContact O-N 3.13Å; K217-L244 CarbonylContact C-O 3.54Å; K217-L244 VanDerWaalsContact CA-O 3.28Å; K217-L244 WeakPolarHBondContact CA-O 3.31Å; K217-L244 WeakPolarHBondContact CB-O 3.5Å
218	P	96.1	Very high	94.2	Very high	18 Å²	18	44.7 Å²	44.7	12%	0.117	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.4	-170.9	29.9	-37.7	0	0	0	114.3	E216 L244 I543 N547	E216-P218 WeakPolarHBondContact O-CD 3.49Å; P218-L244 HydrophobicContact CG-CB 4.38Å; P218-L244 HydrophobicContact CG-CD2 3.64Å; P218-I543 HydrophobicContact CB-CG1 4.29Å; P218-I543 HydrophobicContact CB-CG2 4.08Å; P218-I543 HydrophobicContact CG-CD1 3.97Å; P218-I543 HydrophobicContact CG-CG1 4.08Å; P218-N547 PolarHBondContact O-ND2 2.89Å
219	L	98	Very high	94.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	16	175	-63.2	179.3	0	0	0	112.7	K217 G221 A222 L241 L244 G245 A246 L542 I543 Y546	K217-L219 PolarHBondContact O-N 3.13Å; L219-G221 PolarHBondContact O-N 3.08Å; L219-G221 VanDerWaalsContact O-N 3.1Å; L219-A222 HydrophobicContact CB-CB 4.05Å; L219-A222 HydrophobicContact CD2-CB 4.41Å; L219-A222 WeakPolarHBondContact O-CB 3.28Å; L219-A222 PolarHBondContact O-N 3.41Å; L219-L241 HydrophobicContact CD1-CB 4.44Å; L219-L241 HydrophobicContact CD1-CD2 3.62Å; L219-L244 WeakPolarHBondContact CA-O 3.34Å; L219-L244 HydrophobicContact CB-CB 4.26Å; L219-L244 HydrophobicContact CD1-CB 4.02Å; L219-L244 HydrophobicContact CD1-CD1 4.29Å; L219-L244 HydrophobicContact CG-CB 4.19Å; L219-L244 PolarHBondContact N-O 2.9Å; L219-G245 CarbonylContact O-C 3.55Å; L219-G245 VanDerWaalsContact O-C 3.25Å; L219-G245 VanDerWaalsContact O-O 3.08Å; L219-A246 HydrophobicContact CB-CB 3.96Å; L219-A246 HydrophobicContact CD1-CB 4.23Å; L219-A246 PolarHBondContact O-N 2.82Å; L219-L542 HydrophobicContact CD2-CB 4.39Å; L219-I543 HydrophobicContact CD1-CG1 4.2Å; L219-I543 HydrophobicContact CD2-CB 4.45Å; L219-I543 HydrophobicContact CD2-CG1 3.8Å; L219-I543 HydrophobicContact CG-CG1 3.83Å; L219-Y546 HydrophobicContact CD2-CD1 4.22Å; L219-Y546 HydrophobicContact CD2-CG 4.3Å
220	A	97.4	Very high	94.1	Very high	57 Å²	57	45.1 Å²	45.1	47%	0.471	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	117.7	177.2	0	0	0	0	0	111.9	K217 A222 Y546	K217-A220 HydrophobicContact CB-CB 4.25Å; K217-A220 VanDerWaalsContact O-CB 3.31Å; K217-A220 WeakPolarHBondContact O-CB 3.43Å; K217-A220 PolarHBondContact O-N 2.99Å; K217-A220 VanDerWaalsContact O-N 3.13Å; A220-A222 VanDerWaalsContact C-N 3.34Å; A220-Y546 WeakPolarHBondContact O-CE1 3.43Å; A220-Y546 PolarHBondContact O-OH 2.69Å
221	G	96.3	Very high	94	Very high	45 Å²	45	43.6 Å²	43.6	46%	0.464	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	0.3	-177.1	0	0	0	0	0	115.3	L219 K223 N300 Y546	L219-G221 PolarHBondContact O-N 3.08Å; L219-G221 VanDerWaalsContact O-N 3.1Å; G221-K223 PolarHBondContact O-N 3.32Å; G221-N300 PolarHBondContact O-ND2 3.26Å; G221-Y546 WeakPolarHBondContact CA-OH 3.25Å; G221-Y546 PolarHBondContact O-OH 3.43Å
222	A	98.3	Very high	94.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.211	C	C	.	.			trans	-65.7	133.9	167.6	0	0	0	0	0	109.3	L219 A220 V224 A246 Q247 N300 Y546	L219-A222 HydrophobicContact CB-CB 4.05Å; L219-A222 HydrophobicContact CD2-CB 4.41Å; L219-A222 WeakPolarHBondContact O-CB 3.28Å; L219-A222 PolarHBondContact O-N 3.41Å; A220-A222 VanDerWaalsContact C-N 3.34Å; A222-V224 HydrophobicContact CB-CG2 4.3Å; A222-A246 HydrophobicContact CB-CB 4.15Å; A222-Q247 PolarHBondContact O-N 3.11Å; A222-N300 WeakPolarHBondContact CA-OD1 3.23Å; A222-Y546 HydrophobicContact CB-CD1 4.39Å; A222-Y546 HydrophobicContact CB-CD2 3.87Å; A222-Y546 HydrophobicContact CB-CE1 4.29Å; A222-Y546 HydrophobicContact CB-CE2 3.77Å; A222-Y546 HydrophobicContact CB-CG 4.2Å; A222-Y546 PolarHBondContact N-OH 3.4Å
223	K	98.4	Very high	94.6	Very high	50 Å²	50	34 Å²	34	22%	0.217	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	86.5	173.6	-71.6	-170.9	173.5	-161.1	0	106.3	G221 Q247 W297 Q298 P299 N300 M301	G221-K223 PolarHBondContact O-N 3.32Å; K223-Q247 CarbonylContact C-O 3.25Å; K223-Q247 VanDerWaalsContact CE-OE1 3.25Å; K223-Q247 HydrophobicContact CG-CB 4.42Å; K223-W297 HydrophobicContact CB-CH2 4.16Å; K223-W297 HydrophobicContact CB-CZ2 3.58Å; K223-W297 HydrophobicContact CD-CD2 4.2Å; K223-W297 HydrophobicContact CD-CG 4.19Å; K223-W297 HydrophobicContact CD-CZ2 4.49Å; K223-W297 HydrophobicContact CG-CZ2 4.13Å; K223-Q298 WeakPolarHBondContact CD-O 3.29Å; K223-P299 WeakPolarHBondContact O-CA 3.49Å; K223-N300 PolarHBondContact N-OD1 2.85Å; K223-N300 PolarHBondContact O-N 3.46Å; K223-M301 PolarHBondContact O-N 3.14Å; K223-M301 VanDerWaalsContact O-N 3.09Å
224	V	98.6	Very high	95	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.4	-177.7	-177.3	0	0	0	0	108	A222 A246 Q247 C248 R249 W250 M301 L303 L542	A222-V224 HydrophobicContact CB-CG2 4.3Å; V224-A246 HydrophobicContact CG2-CB 4.06Å; V224-Q247 PolarHBondContact N-O 2.65Å; V224-C248 WeakPolarHBondContact O-CA 3.46Å; V224-R249 PolarHBondContact O-N 2.94Å; V224-R249 VanDerWaalsContact O-N 3.08Å; V224-W250 HydrophobicContact CG1-CH2 4.5Å; V224-W250 HydrophobicContact CG1-CZ3 4.1Å; V224-M301 WeakPolarHBondContact CA-O 3.31Å; V224-M301 HydrophobicContact CG2-CB 4.03Å; V224-L303 HydrophobicContact CG1-CB 4.26Å; V224-L542 HydrophobicContact CG1-CD1 4.19Å; V224-L542 HydrophobicContact CG2-CD1 4.2Å
225	V	98.6	Very high	95.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.8	160.8	58.7	0	0	0	0	108.2	R249 C291 V292 W297 P299 M301 I302 L303 L309 I313	V225-R249 WeakPolarHBondContact CA-O 3.16Å; V225-C291 HydrophobicContact CG2-CB 3.71Å; V225-V292 HydrophobicContact CG2-CG2 4.18Å; V225-W297 HydrophobicContact CB-CH2 4.29Å; V225-P299 HydrophobicContact CB-CB 4Å; V225-P299 HydrophobicContact CG1-CB 3.48Å; V225-P299 VanDerWaalsContact CG1-CB 3.48Å; V225-P299 HydrophobicContact CG1-CG 3.97Å; V225-M301 PolarHBondContact N-O 3.08Å; V225-I302 HydrophobicContact CG1-CG1 4.03Å; V225-I302 WeakPolarHBondContact O-CA 3.25Å; V225-L303 PolarHBondContact O-N 2.91Å; V225-L309 HydrophobicContact CB-CD2 4.45Å; V225-L309 HydrophobicContact CG1-CD1 4.29Å; V225-L309 HydrophobicContact CG1-CD2 4.13Å; V225-L309 HydrophobicContact CG2-CD1 3.81Å; V225-L309 HydrophobicContact CG2-CD2 3.94Å; V225-I313 HydrophobicContact CG1-CD1 3.94Å
226	G	98.4	Very high	96.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.7	-176.3	0	0	0	0	0	112.7	R249 W250 A251 L303	G226-R249 PolarHBondContact N-O 2.79Å; G226-W250 WeakPolarHBondContact O-CA 3.15Å; G226-A251 PolarHBondContact O-N 3.26Å; G226-L303 CarbonylContact C-O 3.6Å; G226-L303 VanDerWaalsContact CA-O 3.27Å; G226-L303 WeakPolarHBondContact CA-O 3.49Å
227	C	98.1	Very high	97.1	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	97.7	170.9	-173.2	0	0	0	0	108.5	A251 L303 D304 D305 L309	C227-A251 WeakPolarHBondContact CA-O 3.38Å; C227-L303 PolarHBondContact N-O 3.14Å; C227-D304 CarbonylContact O-C 3.04Å; C227-D305 PolarHBondContact O-N 3.1Å; C227-L309 HydrophobicContact CB-CB 3.42Å; C227-L309 VanDerWaalsContact CB-CB 3.42Å; C227-L309 HydrophobicContact CB-CD2 3.54Å; C227-L309 HydrophobicContact CB-CG 4.07Å
228	T	96.1	Very high	97.2	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.018	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	177	-178.5	65.6	0	0	0	0	109.3	I230 T234 W250 A251 A252 C253 L303 D305	T228-I230 PolarHBondContact O-N 3.43Å; T228-T234 WeakPolarHBondContact OG1-CG2 3.49Å; T228-W250 HydrophobicContact CG2-CZ2 4.46Å; T228-W250 PolarHBondContact OG1-NE1 2.97Å; T228-A251 PolarHBondContact N-O 3.3Å; T228-A252 VanDerWaalsContact O-CA 3.31Å; T228-A252 WeakPolarHBondContact O-CA 3.4Å; T228-C253 VanDerWaalsContact CA-SG 3.56Å; T228-C253 PolarHBondContact O-N 3.2Å; T228-C253 VanDerWaalsContact O-N 3.09Å; T228-L303 HydrophobicContact CG2-CD2 3.29Å; T228-D305 HydrophobicContact CG2-CB 3.99Å
229	H	93.3	Very high	97.3	Very high	34 Å²	34	13 Å²	13	16%	0.157	9%	0.085	C	C	.	.			trans	-58.9	129.6	169.7	-58.9	-50.4	0	0	0	111	T231 T234 C253 S257 D305 L521	H229-T231 HydrophobicContact CB-CG2 4.14Å; H229-T231 PolarHBondContact O-N 2.87Å; H229-T234 WeakPolarHBondContact O-CB 3.34Å; H229-T234 WeakPolarHBondContact O-CG2 3.44Å; H229-T234 PolarHBondContact O-OG1 3.49Å; H229-C253 PolarHBondContact CE1-SG 3.15Å; H229-C253 PolarHBondContact N-SG 2.92Å; H229-C253 PolarHBondContact ND1-SG 3.41Å; H229-S257 WeakPolarHBondContact ND1-CB 3.39Å; H229-S257 PolarHBondContact ND1-OG 3.48Å; H229-D305 IonicContact CD2-OD2 3.02Å; H229-D305 IonicContact CE1-OD2 3.27Å; H229-D305 IonicContact NE2-OD2 2.69Å; H229-D305 PolarHBondContact NE2-OD2 3.41Å; H229-L521 WeakPolarHBondContact NE2-CD1 3.46Å
230	I	95.2	Very high	97.4	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.085	C	C	.	.			trans	-86.8	88.6	176.8	-58.3	-64.9	0	0	0	108.4	T228 W250 A252 T258 Q259 A263 V273 A275	T228-I230 PolarHBondContact O-N 3.43Å; I230-W250 HydrophobicContact CD1-CB 4.21Å; I230-W250 VanDerWaalsContact CD1-CD1 3.45Å; I230-W250 HydrophobicContact CD1-CG 4.12Å; I230-A252 HydrophobicContact CG1-CB 4.16Å; I230-T258 HydrophobicContact CB-CG2 4Å; I230-T258 HydrophobicContact CG2-CG2 4.07Å; I230-T258 WeakPolarHBondContact O-CA 3.26Å; I230-Q259 PolarHBondContact O-N 2.79Å; I230-A263 HydrophobicContact CG2-CB 4.04Å; I230-V273 HydrophobicContact CD1-CG1 4.49Å; I230-A275 HydrophobicContact CG1-CB 3.72Å
231	T	95.1	Very high	97.4	Very high	16 Å²	16	10.2 Å²	10.2	10%	0.098	6%	0.062	C	C	.	.	S	Bend	trans	-125.1	169.9	177	70.6	0	0	0	0	111.4	H229 Q233 T234 A235	H229-T231 HydrophobicContact CB-CG2 4.14Å; H229-T231 PolarHBondContact O-N 2.87Å; T231-Q233 VanDerWaalsContact CB-OE1 3.22Å; T231-Q233 PolarHBondContact O-N 3.41Å; T231-Q233 PolarHBondContact OG1-N 2.91Å; T231-Q233 PolarHBondContact OG1-OE1 3.16Å; T231-T234 PolarHBondContact O-N 2.85Å; T231-A235 PolarHBondContact O-N 2.95Å
232	A	96.6	Very high	97.5	Very high	4 Å²	4	10.5 Å²	10.5	3%	0.033	6%	0.057	C	C	.	.	H	α-helix	trans	-51.1	-39.3	175.5	0	0	0	0	0	111.9	E195 A199 A235 V236 V262	E195-A232 HydrophobicContact CB-CB 4.3Å; A199-A232 HydrophobicContact CB-CB 3.89Å; A232-A235 WeakPolarHBondContact O-CB 3.34Å; A232-A235 PolarHBondContact O-N 2.86Å; A232-V236 WeakPolarHBondContact O-CG2 3.28Å; A232-V236 PolarHBondContact O-N 2.9Å; A232-V262 HydrophobicContact CB-CG2 4.08Å
233	Q	96.6	Very high	97.5	Very high	19 Å²	19	12.1 Å²	12.1	9%	0.089	7%	0.07	C	C	.	.	H	α-helix	trans	-67	-42	178.3	-56.6	86.8	0.7	0	0	112.4	M203 T231 A235 V236 L237 T528 L531	M203-Q233 HydrophobicContact CE-CB 3.71Å; M203-Q233 HydrophobicContact CE-CG 4.29Å; M203-Q233 HydrophobicContact SD-CB 3.88Å; M203-Q233 HydrophobicContact SD-CG 4.07Å; T231-Q233 VanDerWaalsContact CB-OE1 3.22Å; T231-Q233 PolarHBondContact O-N 3.41Å; T231-Q233 PolarHBondContact OG1-N 2.91Å; T231-Q233 PolarHBondContact OG1-OE1 3.16Å; Q233-A235 VanDerWaalsContact C-N 3.33Å; Q233-A235 PolarHBondContact O-N 2.98Å; Q233-V236 PolarHBondContact O-N 3.15Å; Q233-L237 PolarHBondContact O-N 2.91Å; Q233-T528 HydrophobicContact CG-CG2 3.82Å; Q233-T528 PolarHBondContact NE2-OG1 2.74Å; Q233-L531 HydrophobicContact CB-CB 4.04Å; Q233-L531 HydrophobicContact CB-CD1 3.82Å; Q233-L531 HydrophobicContact CG-CB 4.08Å; Q233-L531 HydrophobicContact CG-CD1 3.81Å
234	T	96.7	Very high	97.5	Very high	18 Å²	18	9.9 Å²	9.9	11%	0.11	6%	0.061	C	C	.	.	H	α-helix	trans	-65.9	-35	172.8	-64.9	0	0	0	0	111.5	T228 H229 T231 L237 M238 W250	T228-T234 WeakPolarHBondContact OG1-CG2 3.49Å; H229-T234 WeakPolarHBondContact O-CB 3.34Å; H229-T234 WeakPolarHBondContact O-CG2 3.44Å; H229-T234 PolarHBondContact O-OG1 3.49Å; T231-T234 PolarHBondContact O-N 2.85Å; T234-L237 WeakPolarHBondContact O-CB 3.34Å; T234-L237 PolarHBondContact O-N 3.48Å; T234-M238 HydrophobicContact CG2-CG 4.35Å; T234-M238 HydrophobicContact CG2-SD 4.24Å; T234-M238 VanDerWaalsContact O-CG 3.3Å; T234-M238 WeakPolarHBondContact O-CG 3.42Å; T234-M238 PolarHBondContact O-N 3.31Å; T234-W250 HydrophobicContact CG2-CZ2 4.24Å
235	A	98.3	Very high	97.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.1	-42.3	173.4	0	0	0	0	0	112.1	I196 T231 A232 Q233 L237 M238 E239 V262 L266	I196-A235 HydrophobicContact CD1-CB 3.67Å; I196-A235 HydrophobicContact CG1-CB 3.74Å; T231-A235 PolarHBondContact O-N 2.95Å; A232-A235 WeakPolarHBondContact O-CB 3.34Å; A232-A235 PolarHBondContact O-N 2.86Å; Q233-A235 VanDerWaalsContact C-N 3.33Å; Q233-A235 PolarHBondContact O-N 2.98Å; A235-L237 VanDerWaalsContact C-N 3.29Å; A235-L237 PolarHBondContact O-N 3.04Å; A235-M238 PolarHBondContact O-N 3.5Å; A235-E239 WeakPolarHBondContact O-CB 3.37Å; A235-E239 PolarHBondContact O-N 3.03Å; A235-V262 HydrophobicContact CB-CG1 3.52Å; A235-L266 HydrophobicContact CB-CD1 3.77Å; A235-L266 HydrophobicContact CB-CD2 3.78Å; A235-L266 HydrophobicContact CB-CG 3.79Å
236	V	98.7	Very high	97.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.6	-39.2	173	177.3	0	0	0	0	111.2	I196 A199 E200 M203 L206 M207 R210 A232 Q233 T240	I196-V236 HydrophobicContact CG2-CG2 3.88Å; A199-V236 HydrophobicContact CB-CG2 3.96Å; E200-V236 HydrophobicContact CG-CG1 4.15Å; E200-V236 HydrophobicContact CG-CG2 3.66Å; M203-V236 HydrophobicContact CB-CG1 4.1Å; M203-V236 HydrophobicContact SD-CB 3.58Å; M203-V236 VanDerWaalsContact SD-CB 3.58Å; M203-V236 HydrophobicContact SD-CG1 3.7Å; M203-V236 HydrophobicContact SD-CG2 3.95Å; L206-V236 HydrophobicContact CB-CG1 4.27Å; L206-V236 HydrophobicContact CD1-CB 4.48Å; L206-V236 HydrophobicContact CD1-CG1 3.8Å; M207-V236 HydrophobicContact CE-CG1 3.45Å; M207-V236 VanDerWaalsContact CE-CG1 3.45Å; R210-V236 PolarHBondContact NH2-O 2.72Å; A232-V236 WeakPolarHBondContact O-CG2 3.28Å; A232-V236 PolarHBondContact O-N 2.9Å; Q233-V236 PolarHBondContact O-N 3.15Å; V236-T240 WeakPolarHBondContact O-CB 3.33Å; V236-T240 PolarHBondContact O-N 2.99Å; V236-T240 PolarHBondContact O-OG1 3.47Å
237	L	98.6	Very high	97.4	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-61.9	-53.6	172	173.5	59.8	0	0	0	112	L206 Q233 T234 A235 E239 T240 L241 L303 A535 Q538 A539	L206-L237 HydrophobicContact CD1-CB 4.36Å; Q233-L237 PolarHBondContact O-N 2.91Å; T234-L237 WeakPolarHBondContact O-CB 3.34Å; T234-L237 PolarHBondContact O-N 3.48Å; A235-L237 VanDerWaalsContact C-N 3.29Å; A235-L237 PolarHBondContact O-N 3.04Å; L237-E239 VanDerWaalsContact C-N 3.33Å; L237-E239 PolarHBondContact O-N 2.89Å; L237-T240 CarbonylContact O-C 3.6Å; L237-T240 WeakPolarHBondContact O-CA 3.24Å; L237-T240 WeakPolarHBondContact O-CB 3.47Å; L237-T240 PolarHBondContact O-N 3.13Å; L237-L241 HydrophobicContact CD1-CD1 4.2Å; L237-L241 HydrophobicContact CD1-CD2 4.24Å; L237-L241 HydrophobicContact CD1-CG 4Å; L237-L241 HydrophobicContact CG-CD1 4.24Å; L237-L241 HydrophobicContact CG-CG 4.43Å; L237-L241 WeakPolarHBondContact O-CG 3.41Å; L237-L241 PolarHBondContact O-N 3.09Å; L237-L303 HydrophobicContact CD2-CD1 4.26Å; L237-A535 HydrophobicContact CB-CB 4.2Å; L237-A535 HydrophobicContact CD1-CB 4.27Å; L237-A535 WeakPolarHBondContact CD1-O 3.47Å; L237-A535 HydrophobicContact CD2-CB 4.15Å; L237-A535 HydrophobicContact CG-CB 4.43Å; L237-Q538 VanDerWaalsContact CD2-OE1 3.26Å; L237-A539 HydrophobicContact CD1-CB 3.96Å
238	M	98.5	Very high	97.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55.2	-46.2	-179.1	-74.2	176.4	61.6	0	0	112.6	T234 A235 T240 L241 S242 W250 L266 F271 V273	T234-M238 HydrophobicContact CG2-CG 4.35Å; T234-M238 HydrophobicContact CG2-SD 4.24Å; T234-M238 VanDerWaalsContact O-CG 3.3Å; T234-M238 WeakPolarHBondContact O-CG 3.42Å; T234-M238 PolarHBondContact O-N 3.31Å; A235-M238 PolarHBondContact O-N 3.5Å; M238-T240 VanDerWaalsContact C-N 3.34Å; M238-L241 PolarHBondContact O-N 2.69Å; M238-S242 PolarHBondContact O-N 2.77Å; M238-W250 HydrophobicContact CE-CB 3.76Å; M238-W250 HydrophobicContact CE-CD2 4.17Å; M238-W250 HydrophobicContact CE-CE3 4.05Å; M238-W250 HydrophobicContact CE-CG 4.14Å; M238-W250 HydrophobicContact CG-CD2 3.71Å; M238-W250 HydrophobicContact CG-CE3 3.56Å; M238-W250 HydrophobicContact CG-CG 4.4Å; M238-W250 HydrophobicContact CG-CH2 3.94Å; M238-W250 HydrophobicContact CG-CZ2 4.1Å; M238-W250 HydrophobicContact CG-CZ3 3.68Å; M238-W250 HydrophobicContact SD-CB 3.87Å; M238-W250 HydrophobicContact SD-CD2 3.63Å; M238-W250 HydrophobicContact SD-CE3 3.92Å; M238-W250 HydrophobicContact SD-CG 3.67Å; M238-L266 HydrophobicContact CB-CD2 4.37Å; M238-L266 HydrophobicContact CE-CD1 4.05Å; M238-L266 HydrophobicContact CE-CD2 4.11Å; M238-L266 HydrophobicContact SD-CD1 3.65Å; M238-L266 HydrophobicContact SD-CD2 4.24Å; M238-F271 HydrophobicContact CB-CD1 4.5Å; M238-F271 HydrophobicContact CB-CE1 4.33Å; M238-F271 HydrophobicContact CE-CB 3.95Å; M238-F271 HydrophobicContact CE-CD1 3.8Å; M238-F271 HydrophobicContact CE-CG 4.06Å; M238-V273 HydrophobicContact CE-CG2 3.96Å
239	E	98.6	Very high	97.5	Very high	24 Å²	24	16.7 Å²	16.7	11%	0.112	10%	0.099	C	C	.	.	H	α-helix	trans	-66.1	-34.6	175.1	-78.3	178.2	177.7	0	0	112.6	R193 R210 A235 L237 S242 A243 F271	R193-E239 IonicContact CZ-OE1 3.32Å; R193-E239 IonicContact NH1-OE1 3.57Å; R193-E239 PolarHBondContact NH1-OE1 3.49Å; R193-E239 IonicContact NH1-OE2 3.55Å; R193-E239 PolarHBondContact NH1-OE2 3.05Å; R193-E239 IonicContact NH2-OE1 2.68Å; R193-E239 PolarHBondContact NH2-OE1 3.4Å; R210-E239 IonicContact CZ-OE2 3.34Å; R210-E239 IonicContact NH1-OE2 2.68Å; R210-E239 PolarHBondContact NH1-OE2 2.78Å; R210-E239 IonicContact NH2-OE2 3.65Å; R210-E239 PolarHBondContact NH2-OE2 2.98Å; A235-E239 WeakPolarHBondContact O-CB 3.37Å; A235-E239 PolarHBondContact O-N 3.03Å; L237-E239 VanDerWaalsContact C-N 3.33Å; L237-E239 PolarHBondContact O-N 2.89Å; E239-S242 PolarHBondContact O-N 3.39Å; E239-A243 WeakPolarHBondContact O-CB 3.21Å; E239-A243 PolarHBondContact O-N 2.95Å; E239-F271 HydrophobicContact CB-CZ 4.32Å; E239-F271 HydrophobicContact CG-CE2 3.64Å; E239-F271 HydrophobicContact CG-CZ 3.66Å
240	T	98.6	Very high	97.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.5	-43	173.9	-56.6	0	0	0	0	111.4	L206 L209 R210 V236 L237 M238 S242 A243 L244	L206-T240 HydrophobicContact CB-CG2 4.3Å; L206-T240 HydrophobicContact CD2-CG2 4.13Å; L209-T240 HydrophobicContact CB-CG2 4.1Å; R210-T240 HydrophobicContact CG-CG2 3.86Å; R210-T240 PolarHBondContact NE-OG1 3.32Å; V236-T240 WeakPolarHBondContact O-CB 3.33Å; V236-T240 PolarHBondContact O-N 2.99Å; V236-T240 PolarHBondContact O-OG1 3.47Å; L237-T240 CarbonylContact O-C 3.6Å; L237-T240 WeakPolarHBondContact O-CA 3.24Å; L237-T240 WeakPolarHBondContact O-CB 3.47Å; L237-T240 PolarHBondContact O-N 3.13Å; M238-T240 VanDerWaalsContact C-N 3.34Å; T240-S242 VanDerWaalsContact C-N 3.29Å; T240-S242 PolarHBondContact O-N 3.24Å; T240-A243 PolarHBondContact O-N 3.38Å; T240-L244 HydrophobicContact CG2-CD1 3.96Å; T240-L244 WeakPolarHBondContact O-CB 3.13Å; T240-L244 WeakPolarHBondContact O-CD1 3.41Å; T240-L244 WeakPolarHBondContact O-CG 3.25Å; T240-L244 PolarHBondContact O-N 3.31Å
241	L	98.6	Very high	97.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.8	-39.1	173.6	-62.8	177.4	0	0	0	111.4	L219 L237 M238 L244 G245 A246 W250 A539 L542	L219-L241 HydrophobicContact CD1-CB 4.44Å; L219-L241 HydrophobicContact CD1-CD2 3.62Å; L237-L241 HydrophobicContact CD1-CD1 4.2Å; L237-L241 HydrophobicContact CD1-CD2 4.24Å; L237-L241 HydrophobicContact CD1-CG 4Å; L237-L241 HydrophobicContact CG-CD1 4.24Å; L237-L241 HydrophobicContact CG-CG 4.43Å; L237-L241 WeakPolarHBondContact O-CG 3.41Å; L237-L241 PolarHBondContact O-N 3.09Å; M238-L241 PolarHBondContact O-N 2.69Å; L241-L244 PolarHBondContact O-N 2.9Å; L241-G245 PolarHBondContact O-N 3.39Å; L241-A246 HydrophobicContact CB-CB 4.19Å; L241-A246 VanDerWaalsContact O-CB 3.23Å; L241-A246 WeakPolarHBondContact O-CB 3.2Å; L241-A246 PolarHBondContact O-N 2.76Å; L241-W250 HydrophobicContact CD1-CH2 3.77Å; L241-W250 HydrophobicContact CD1-CZ3 4.03Å; L241-A539 HydrophobicContact CD2-CB 3.98Å; L241-L542 HydrophobicContact CD1-CD1 3.71Å; L241-L542 HydrophobicContact CD2-CD1 3.65Å; L241-L542 HydrophobicContact CG-CD1 4.35Å
242	S	98	Very high	97.9	Very high	51 Å²	51	14.4 Å²	14.4	36%	0.357	9%	0.088	S	C	.	.	H	α-helix	trans	-65.6	-43.8	174.8	-167.6	0	0	0	0	112.8	M238 E239 T240 L244 G245	M238-S242 PolarHBondContact O-N 2.77Å; E239-S242 PolarHBondContact O-N 3.39Å; T240-S242 VanDerWaalsContact C-N 3.29Å; T240-S242 PolarHBondContact O-N 3.24Å; S242-L244 VanDerWaalsContact C-N 3.3Å; S242-L244 PolarHBondContact O-N 3.18Å; S242-G245 WeakPolarHBondContact O-CA 3.25Å; S242-G245 PolarHBondContact O-N 2.86Å
243	A	97.8	Very high	97.6	Very high	33 Å²	33	15 Å²	15	27%	0.273	9%	0.091	S	C	.	.	H	α-helix	trans	-58.5	-42.5	173.8	0	0	0	0	0	111.8	R210 A213 E239 T240 G245	R210-A243 HydrophobicContact CG-CB 4.21Å; A213-A243 HydrophobicContact CB-CB 4.5Å; E239-A243 WeakPolarHBondContact O-CB 3.21Å; E239-A243 PolarHBondContact O-N 2.95Å; T240-A243 PolarHBondContact O-N 3.38Å; A243-G245 PolarHBondContact O-N 3.44Å
244	L	98.1	Very high	97.2	Very high	4 Å²	4	16 Å²	16	2%	0.021	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-8.6	173.8	-67.9	161.8	0	0	0	113.8	A213 K217 P218 L219 T240 L241 S242 I543	A213-L244 HydrophobicContact CB-CD2 3.86Å; A213-L244 HydrophobicContact CB-CG 4.3Å; K217-L244 CarbonylContact C-O 3.54Å; K217-L244 VanDerWaalsContact CA-O 3.28Å; K217-L244 WeakPolarHBondContact CA-O 3.31Å; K217-L244 WeakPolarHBondContact CB-O 3.5Å; P218-L244 HydrophobicContact CG-CB 4.38Å; P218-L244 HydrophobicContact CG-CD2 3.64Å; L219-L244 WeakPolarHBondContact CA-O 3.34Å; L219-L244 HydrophobicContact CB-CB 4.26Å; L219-L244 HydrophobicContact CD1-CB 4.02Å; L219-L244 HydrophobicContact CD1-CD1 4.29Å; L219-L244 HydrophobicContact CG-CB 4.19Å; L219-L244 PolarHBondContact N-O 2.9Å; T240-L244 HydrophobicContact CG2-CD1 3.96Å; T240-L244 WeakPolarHBondContact O-CB 3.13Å; T240-L244 WeakPolarHBondContact O-CD1 3.41Å; T240-L244 WeakPolarHBondContact O-CG 3.25Å; T240-L244 PolarHBondContact O-N 3.31Å; L241-L244 PolarHBondContact O-N 2.9Å; S242-L244 VanDerWaalsContact C-N 3.3Å; S242-L244 PolarHBondContact O-N 3.18Å; L244-I543 HydrophobicContact CD1-CD1 4.04Å; L244-I543 HydrophobicContact CD2-CD1 4.24Å
245	G	97.7	Very high	96.6	Very high	20 Å²	20	16.7 Å²	16.7	21%	0.206	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	110	4	171.6	0	0	0	0	0	116.3	L219 L241 S242 A243	L219-G245 CarbonylContact O-C 3.55Å; L219-G245 VanDerWaalsContact O-C 3.25Å; L219-G245 VanDerWaalsContact O-O 3.08Å; L241-G245 PolarHBondContact O-N 3.39Å; S242-G245 WeakPolarHBondContact O-CA 3.25Å; S242-G245 PolarHBondContact O-N 2.86Å; A243-G245 PolarHBondContact O-N 3.44Å
246	A	98.3	Very high	95.9	Very high	5 Å²	5	20 Å²	20	4%	0.041	11%	0.113	C	C	.	.			trans	-77.4	152.2	179.6	0	0	0	0	0	113	L219 A222 V224 L241	L219-A246 HydrophobicContact CB-CB 3.96Å; L219-A246 HydrophobicContact CD1-CB 4.23Å; L219-A246 PolarHBondContact O-N 2.82Å; A222-A246 HydrophobicContact CB-CB 4.15Å; V224-A246 HydrophobicContact CG2-CB 4.06Å; L241-A246 HydrophobicContact CB-CB 4.19Å; L241-A246 VanDerWaalsContact O-CB 3.23Å; L241-A246 WeakPolarHBondContact O-CB 3.2Å; L241-A246 PolarHBondContact O-N 2.76Å
247	Q	98.1	Very high	95.2	Very high	97 Å²	97	20.7 Å²	20.7	45%	0.453	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129.5	158.7	-62	177.8	1.1	0	0	108.2	A222 K223 V224	A222-Q247 PolarHBondContact O-N 3.11Å; K223-Q247 CarbonylContact C-O 3.25Å; K223-Q247 VanDerWaalsContact CE-OE1 3.25Å; K223-Q247 HydrophobicContact CG-CB 4.42Å; V224-Q247 PolarHBondContact N-O 2.65Å
248	C	97.7	Very high	95	Very high	12 Å²	12	20.6 Å²	20.6	8%	0.081	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.2	-173.8	-62	0	0	0	0	111.5	V224 W250 F271	V224-C248 WeakPolarHBondContact O-CA 3.46Å; C248-W250 HydrophobicContact CB-CE3 4.17Å; C248-W250 HydrophobicContact CB-CZ3 4.18Å; C248-F271 HydrophobicContact CB-CD1 4.32Å; C248-F271 HydrophobicContact CB-CE1 4.49Å
249	R	98.3	Very high	94.7	Very high	13 Å²	13	22.8 Å²	22.8	5%	0.049	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.3	165.1	-56.1	-175.4	68.8	86.5	-8.1	108.4	D180 V224 V225 G226 S272 R290 C291 W297	D180-R249 IonicContact OD1-CZ 2.71Å; D180-R249 IonicContact OD1-NH1 3.66Å; D180-R249 PolarHBondContact OD1-NH1 3.03Å; D180-R249 IonicContact OD1-NH2 3.15Å; D180-R249 PolarHBondContact OD1-NH2 3.48Å; D180-R249 IonicContact OD2-CZ 2.68Å; D180-R249 IonicContact OD2-NH1 3.22Å; D180-R249 PolarHBondContact OD2-NH1 3.12Å; D180-R249 IonicContact OD2-NH2 2.82Å; V224-R249 PolarHBondContact O-N 2.94Å; V224-R249 VanDerWaalsContact O-N 3.08Å; V225-R249 WeakPolarHBondContact CA-O 3.16Å; G226-R249 PolarHBondContact N-O 2.79Å; R249-S272 WeakPolarHBondContact CA-O 3.29Å; R249-S272 VanDerWaalsContact NH1-CB 3.32Å; R249-S272 PolarHBondContact NH1-OG 3.04Å; R249-S272 VanDerWaalsContact NH1-OG 3.07Å; R249-R290 PolarHBondContact NE-O 3.16Å; R249-R290 PolarHBondContact NH2-O 3.18Å; R249-C291 HydrophobicContact CB-CB 4.21Å; R249-C291 WeakPolarHBondContact CD-O 3.34Å; R249-W297 HydrophobicContact CB-CH2 4.23Å; R249-W297 VanDerWaalsContact CD-CZ3 3.46Å; R249-W297 HydrophobicContact CG-CE3 4.44Å; R249-W297 HydrophobicContact CG-CH2 3.76Å; R249-W297 HydrophobicContact CG-CZ2 3.83Å; R249-W297 HydrophobicContact CG-CZ3 4.07Å
250	W	98.6	Very high	94.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	137.1	-170.1	-127	-85.5	0	0	0	114.2	V224 G226 T228 I230 T234 M238 L241 C248 S272 V273 F274 C291 L303	V224-W250 HydrophobicContact CG1-CH2 4.5Å; V224-W250 HydrophobicContact CG1-CZ3 4.1Å; G226-W250 WeakPolarHBondContact O-CA 3.15Å; T228-W250 HydrophobicContact CG2-CZ2 4.46Å; T228-W250 PolarHBondContact OG1-NE1 2.97Å; I230-W250 HydrophobicContact CD1-CB 4.21Å; I230-W250 VanDerWaalsContact CD1-CD1 3.45Å; I230-W250 HydrophobicContact CD1-CG 4.12Å; T234-W250 HydrophobicContact CG2-CZ2 4.24Å; M238-W250 HydrophobicContact CE-CB 3.76Å; M238-W250 HydrophobicContact CE-CD2 4.17Å; M238-W250 HydrophobicContact CE-CE3 4.05Å; M238-W250 HydrophobicContact CE-CG 4.14Å; M238-W250 HydrophobicContact CG-CD2 3.71Å; M238-W250 HydrophobicContact CG-CE3 3.56Å; M238-W250 HydrophobicContact CG-CG 4.4Å; M238-W250 HydrophobicContact CG-CH2 3.94Å; M238-W250 HydrophobicContact CG-CZ2 4.1Å; M238-W250 HydrophobicContact CG-CZ3 3.68Å; M238-W250 HydrophobicContact SD-CB 3.87Å; M238-W250 HydrophobicContact SD-CD2 3.63Å; M238-W250 HydrophobicContact SD-CE3 3.92Å; M238-W250 HydrophobicContact SD-CG 3.67Å; L241-W250 HydrophobicContact CD1-CH2 3.77Å; L241-W250 HydrophobicContact CD1-CZ3 4.03Å; C248-W250 HydrophobicContact CB-CE3 4.17Å; C248-W250 HydrophobicContact CB-CZ3 4.18Å; W250-S272 PolarHBondContact N-O 3.31Å; W250-V273 WeakPolarHBondContact O-CA 3.25Å; W250-F274 PolarHBondContact O-N 3.5Å; W250-C291 PolarHBondContact O-SG 3.02Å; W250-C291 VanDerWaalsContact O-SG 3.33Å; W250-L303 HydrophobicContact CH2-CD1 4.17Å; W250-L303 HydrophobicContact CH2-CD2 4.41Å; W250-L303 HydrophobicContact CZ2-CD1 4.46Å; W250-L303 HydrophobicContact CZ2-CD2 3.95Å
251	A	98.2	Very high	94.6	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	163.6	167.3	0	0	0	0	0	110.4	G226 C227 T228 F274 C287 I288	G226-A251 PolarHBondContact O-N 3.26Å; C227-A251 WeakPolarHBondContact CA-O 3.38Å; T228-A251 PolarHBondContact N-O 3.3Å; A251-F274 WeakPolarHBondContact CA-O 3.39Å; A251-C287 HydrophobicContact CB-CB 4.2Å; A251-I288 HydrophobicContact CB-CG1 4Å
252	A	95.4	Very high	94.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	142.9	170.8	0	0	0	0	0	111.1	T228 I230 N254 A275 F284	T228-A252 VanDerWaalsContact O-CA 3.31Å; T228-A252 WeakPolarHBondContact O-CA 3.4Å; I230-A252 HydrophobicContact CG1-CB 4.16Å; A252-N254 VanDerWaalsContact C-N 3.34Å; A252-A275 HydrophobicContact CB-CB 4.04Å; A252-F284 WeakPolarHBondContact O-CE2 3.49Å
253	C	91.2	Very high	94.5	Very high	16 Å²	16	22.4 Å²	22.4	11%	0.108	12%	0.121	C	C	.	.	S	Bend	trans	-85.1	-6.3	165.3	67.6	0	0	0	0	113	T228 H229 D305	T228-C253 VanDerWaalsContact CA-SG 3.56Å; T228-C253 PolarHBondContact O-N 3.2Å; T228-C253 VanDerWaalsContact O-N 3.09Å; H229-C253 PolarHBondContact CE1-SG 3.15Å; H229-C253 PolarHBondContact N-SG 2.92Å; H229-C253 PolarHBondContact ND1-SG 3.41Å; C253-D305 HydrophobicContact CB-CB 4.41Å; C253-D305 VanDerWaalsContact CB-O 3.28Å; C253-D305 WeakPolarHBondContact CB-O 3.4Å; C253-D305 PolarHBondContact SG-OD2 3.49Å
254	N	87	Confident	94.6	Very high	41 Å²	41	20.8 Å²	20.8	22%	0.219	11%	0.108	C	C	.	.	S	Bend	trans	-152.9	126.6	178.9	-175.7	-72.2	0	0	0	112.6	A252 Y256 S257	A252-N254 VanDerWaalsContact C-N 3.34Å; N254-Y256 PolarHBondContact O-N 3.04Å; N254-Y256 PolarHBondContact OD1-N 3.25Å; N254-S257 WeakPolarHBondContact O-CB 3.49Å; N254-S257 PolarHBondContact O-N 3.06Å; N254-S257 PolarHBondContact O-OG 2.88Å
255	I	85.2	Confident	94.6	Very high	32 Å²	32	20.7 Å²	20.7	16%	0.164	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-17.5	-174.8	63.9	174.2	0	0	0	116.6	G278 E279 F284	I255-G278 PolarHBondContact O-N 2.96Å; I255-E279 HydrophobicContact CB-CB 3.87Å; I255-E279 WeakPolarHBondContact CB-O 3.45Å; I255-E279 HydrophobicContact CG2-CB 3.7Å; I255-F284 HydrophobicContact CG2-CB 3.87Å; I255-F284 HydrophobicContact CG2-CD2 3.98Å; I255-F284 HydrophobicContact CG2-CG 4.15Å
256	Y	82.8	Confident	94.6	Very high	71 Å²	71	19.8 Å²	19.8	28%	0.278	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-5.6	177.9	-57.3	-54.5	0	0	0	114.2	N254 K277	N254-Y256 PolarHBondContact O-N 3.04Å; N254-Y256 PolarHBondContact OD1-N 3.25Å; Y256-K277 WeakPolarHBondContact O-CE 3.33Å
257	S	85.1	Confident	94.6	Very high	13 Å²	13	19.5 Å²	19.5	9%	0.091	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-18.8	-172.9	65.9	0	0	0	0	114.8	H229 N254 Q259	H229-S257 WeakPolarHBondContact ND1-CB 3.39Å; H229-S257 PolarHBondContact ND1-OG 3.48Å; N254-S257 WeakPolarHBondContact O-CB 3.49Å; N254-S257 PolarHBondContact O-N 3.06Å; N254-S257 PolarHBondContact O-OG 2.88Å; S257-Q259 PolarHBondContact O-N 3.15Å
258	T	92.8	Very high	94.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.			trans	-66.1	125.2	-176.5	-56.8	0	0	0	0	112.6	I230 A263 A275 K277	I230-T258 HydrophobicContact CB-CG2 4Å; I230-T258 HydrophobicContact CG2-CG2 4.07Å; I230-T258 WeakPolarHBondContact O-CA 3.26Å; T258-A263 HydrophobicContact CG2-CB 4.15Å; T258-A275 HydrophobicContact CG2-CB 4.05Å; T258-K277 WeakPolarHBondContact O-CB 3.3Å
259	Q	93.8	Very high	94.6	Very high	45 Å²	45	17.9 Å²	17.9	21%	0.21	10%	0.096	C	C	.	.			trans	-82.3	105.4	161.6	-75.5	176.9	-23.7	0	0	107.8	I230 S257 E261 V262 A263	I230-Q259 PolarHBondContact O-N 2.79Å; S257-Q259 PolarHBondContact O-N 3.15Å; Q259-E261 VanDerWaalsContact C-N 3.3Å; Q259-E261 WeakPolarHBondContact CA-OE1 3.3Å; Q259-E261 WeakPolarHBondContact CB-OE1 3.41Å; Q259-E261 PolarHBondContact O-N 3.28Å; Q259-V262 HydrophobicContact CB-CB 3.89Å; Q259-V262 HydrophobicContact CB-CG2 3.83Å; Q259-V262 PolarHBondContact O-N 2.9Å; Q259-V262 VanDerWaalsContact O-N 3.11Å; Q259-A263 PolarHBondContact O-N 3.35Å
260	N	96	Very high	94.5	Very high	26 Å²	26	18.8 Å²	18.8	14%	0.139	11%	0.109	C	C	.	.	H	α-helix	trans	-61.6	-40.9	-171.2	-76.7	-33.5	0	0	0	111.8	K184 A263 A264 W276 K277	K184-N260 HydrophobicContact CB-CB 4.12Å; N260-A263 PolarHBondContact O-N 3.37Å; N260-A264 PolarHBondContact O-N 2.86Å; N260-W276 WeakPolarHBondContact OD1-CA 3.31Å; N260-K277 PolarHBondContact OD1-N 3Å
261	E	97.3	Very high	94.5	Very high	41 Å²	41	20.2 Å²	20.2	19%	0.192	12%	0.116	C	C	.	.	H	α-helix	trans	-58.6	-42.5	173.4	57.3	-72.6	166.1	0	0	112.6	Q188 F191 G192 Q259 A264 A265	Q188-E261 HydrophobicContact CB-CB 4.01Å; F191-E261 HydrophobicContact CD1-CB 3.68Å; F191-E261 HydrophobicContact CD1-CG 3.78Å; F191-E261 HydrophobicContact CE1-CB 4.3Å; F191-E261 HydrophobicContact CE1-CG 3.9Å; G192-E261 WeakPolarHBondContact CA-O 3.38Å; Q259-E261 VanDerWaalsContact C-N 3.3Å; Q259-E261 WeakPolarHBondContact CA-OE1 3.3Å; Q259-E261 WeakPolarHBondContact CB-OE1 3.41Å; Q259-E261 PolarHBondContact O-N 3.28Å; E261-A264 WeakPolarHBondContact O-CB 3.31Å; E261-A264 PolarHBondContact O-N 3.1Å; E261-A265 PolarHBondContact O-N 3.41Å
262	V	97.9	Very high	94.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-72.3	-39.6	176.9	176	0	0	0	0	111.1	E195 I196 A232 A235 Q259 A264 A265 L266	E195-V262 HydrophobicContact CB-CG2 4.28Å; I196-V262 HydrophobicContact CD1-CG1 4.22Å; I196-V262 HydrophobicContact CG1-CG1 4.21Å; A232-V262 HydrophobicContact CB-CG2 4.08Å; A235-V262 HydrophobicContact CB-CG1 3.52Å; Q259-V262 HydrophobicContact CB-CB 3.89Å; Q259-V262 HydrophobicContact CB-CG2 3.83Å; Q259-V262 PolarHBondContact O-N 2.9Å; Q259-V262 VanDerWaalsContact O-N 3.11Å; V262-A264 PolarHBondContact O-N 2.75Å; V262-A265 PolarHBondContact O-N 3.37Å; V262-A265 VanDerWaalsContact O-N 3.11Å; V262-L266 HydrophobicContact CG1-CD1 4.4Å; V262-L266 PolarHBondContact O-N 2.84Å
263	A	98.1	Very high	94.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.6	-38	172.3	0	0	0	0	0	111.3	I183 I230 T258 Q259 N260 A267 V273	I183-A263 HydrophobicContact CB-CB 4.34Å; I183-A263 HydrophobicContact CG2-CB 3.79Å; I230-A263 HydrophobicContact CG2-CB 4.04Å; T258-A263 HydrophobicContact CG2-CB 4.15Å; Q259-A263 PolarHBondContact O-N 3.35Å; N260-A263 PolarHBondContact O-N 3.37Å; A263-A267 WeakPolarHBondContact O-CB 3.16Å; A263-A267 PolarHBondContact O-N 2.86Å; A263-V273 HydrophobicContact CB-CG1 4.22Å
264	A	98.3	Very high	94.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.3	-44.2	171.3	0	0	0	0	0	113.1	I183 N185 Q188 A189 N260 E261 V262 L266 A267 E268	I183-A264 VanDerWaalsContact CD1-CA 3.45Å; I183-A264 HydrophobicContact CD1-CB 3.83Å; N185-A264 WeakPolarHBondContact O-CB 3.49Å; Q188-A264 HydrophobicContact CB-CB 4.27Å; A189-A264 HydrophobicContact CB-CB 4.13Å; N260-A264 PolarHBondContact O-N 2.86Å; E261-A264 WeakPolarHBondContact O-CB 3.31Å; E261-A264 PolarHBondContact O-N 3.1Å; V262-A264 PolarHBondContact O-N 2.75Å; A264-L266 VanDerWaalsContact C-N 3.27Å; A264-L266 PolarHBondContact O-N 3.34Å; A264-A267 PolarHBondContact O-N 3.25Å; A264-E268 WeakPolarHBondContact O-CB 3.41Å; A264-E268 PolarHBondContact O-N 2.95Å
265	A	98.7	Very high	95.4	Very high	2 Å²	2	18.6 Å²	18.6	2%	0.017	11%	0.107	C	C	.	.	H	α-helix	trans	-65.1	-28.9	178.6	0	0	0	0	0	113.5	A189 G192 R193 I196 E261 V262 G269	A189-A265 WeakPolarHBondContact O-CB 3.5Å; G192-A265 VanDerWaalsContact C-CB 3.45Å; R193-A265 HydrophobicContact CB-CB 4.3Å; R193-A265 VanDerWaalsContact N-CB 3.35Å; R193-A265 PolarHBondContact NH2-O 3.11Å; R193-A265 VanDerWaalsContact NH2-O 3.14Å; I196-A265 HydrophobicContact CD1-CB 3.68Å; E261-A265 PolarHBondContact O-N 3.41Å; V262-A265 PolarHBondContact O-N 3.37Å; V262-A265 VanDerWaalsContact O-N 3.11Å; A265-G269 PolarHBondContact O-N 2.95Å; A265-G269 VanDerWaalsContact O-N 3.08Å
266	L	98.4	Very high	95.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-75.1	-48.2	171.3	-77.3	170.5	0	0	0	112.2	A235 M238 V262 A264 E268 G269 G270 F271 V273	A235-L266 HydrophobicContact CB-CD1 3.77Å; A235-L266 HydrophobicContact CB-CD2 3.78Å; A235-L266 HydrophobicContact CB-CG 3.79Å; M238-L266 HydrophobicContact CB-CD2 4.37Å; M238-L266 HydrophobicContact CE-CD1 4.05Å; M238-L266 HydrophobicContact CE-CD2 4.11Å; M238-L266 HydrophobicContact SD-CD1 3.65Å; M238-L266 HydrophobicContact SD-CD2 4.24Å; V262-L266 HydrophobicContact CG1-CD1 4.4Å; V262-L266 PolarHBondContact O-N 2.84Å; A264-L266 VanDerWaalsContact C-N 3.27Å; A264-L266 PolarHBondContact O-N 3.34Å; L266-E268 VanDerWaalsContact C-N 3.32Å; L266-E268 PolarHBondContact O-N 3.35Å; L266-G269 CarbonylContact O-C 3.55Å; L266-G269 WeakPolarHBondContact O-CA 3.37Å; L266-G269 PolarHBondContact O-N 2.85Å; L266-G269 VanDerWaalsContact O-N 3.15Å; L266-G270 PolarHBondContact O-N 2.84Å; L266-F271 HydrophobicContact CB-CB 4.25Å; L266-F271 HydrophobicContact CD2-CB 4.42Å; L266-F271 HydrophobicContact CD2-CD2 3.79Å; L266-F271 HydrophobicContact CD2-CE2 4.26Å; L266-F271 HydrophobicContact CD2-CG 4.07Å; L266-F271 PolarHBondContact O-N 3.34Å; L266-V273 HydrophobicContact CB-CG2 3.76Å; L266-V273 HydrophobicContact CD1-CG2 3.99Å
267	A	98.1	Very high	96.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-39.6	177.7	0	0	0	0	0	112.3	N174 F181 I183 I186 A263 A264 G270	N174-A267 PolarHBondContact ND2-O 2.94Å; F181-A267 HydrophobicContact CB-CB 4.14Å; F181-A267 HydrophobicContact CD1-CB 3.93Å; F181-A267 HydrophobicContact CD2-CB 3.71Å; F181-A267 HydrophobicContact CE1-CB 4.18Å; F181-A267 HydrophobicContact CE2-CB 3.97Å; F181-A267 HydrophobicContact CG-CB 3.68Å; F181-A267 HydrophobicContact CZ-CB 4.19Å; I183-A267 HydrophobicContact CD1-CB 3.87Å; I186-A267 HydrophobicContact CD1-CB 3.76Å; A263-A267 WeakPolarHBondContact O-CB 3.16Å; A263-A267 PolarHBondContact O-N 2.86Å; A264-A267 PolarHBondContact O-N 3.25Å; A267-G270 WeakPolarHBondContact O-CA 3.43Å; A267-G270 PolarHBondContact O-N 3.02Å
268	E	98.3	Very high	96.3	Very high	39 Å²	39	20.3 Å²	20.3	18%	0.182	13%	0.125	C	C	.	.	H	α-helix	trans	-72	-34.8	173.8	-169.1	52.5	-109.9	0	0	112	N174 S175 K176 I186 A189 A264 L266 G270	N174-E268 WeakPolarHBondContact CA-OE2 3.47Å; N174-E268 WeakPolarHBondContact CB-OE2 3.38Å; S175-E268 WeakPolarHBondContact CB-OE1 3.38Å; S175-E268 PolarHBondContact N-OE1 2.95Å; S175-E268 PolarHBondContact N-OE2 3.35Å; S175-E268 PolarHBondContact OG-OE1 3.11Å; K176-E268 PolarHBondContact NZ-O 3.29Å; I186-E268 HydrophobicContact CD1-CB 4.03Å; A189-E268 HydrophobicContact CB-CB 3.63Å; A189-E268 HydrophobicContact CB-CG 4.03Å; A264-E268 WeakPolarHBondContact O-CB 3.41Å; A264-E268 PolarHBondContact O-N 2.95Å; L266-E268 VanDerWaalsContact C-N 3.32Å; L266-E268 PolarHBondContact O-N 3.35Å; E268-G270 PolarHBondContact O-N 3.5Å
269	G	97.1	Very high	96.1	Very high	35 Å²	35	20.6 Å²	20.6	36%	0.361	13%	0.126	S	C	.	.	H	α-helix	trans	-53.3	-40.6	165.8	0	0	0	0	0	112.2	K176 A265 L266	K176-G269 PolarHBondContact NZ-O 3.03Å; A265-G269 PolarHBondContact O-N 2.95Å; A265-G269 VanDerWaalsContact O-N 3.08Å; L266-G269 CarbonylContact O-C 3.55Å; L266-G269 WeakPolarHBondContact O-CA 3.37Å; L266-G269 PolarHBondContact O-N 2.85Å; L266-G269 VanDerWaalsContact O-N 3.15Å
270	G	96.8	Very high	96	Very high	32 Å²	32	21 Å²	21	33%	0.33	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	122.1	11.3	178	0	0	0	0	0	114	L266 A267 E268	L266-G270 PolarHBondContact O-N 2.84Å; A267-G270 WeakPolarHBondContact O-CA 3.43Å; A267-G270 PolarHBondContact O-N 3.02Å; E268-G270 PolarHBondContact O-N 3.5Å
271	F	97.6	Very high	95.6	Very high	30 Å²	30	27.1 Å²	27.1	13%	0.132	16%	0.162	C	C	.	.			trans	-79.5	140.6	177.5	-68.2	-93.5	0	0	0	111.6	M238 E239 C248 L266 V273	M238-F271 HydrophobicContact CB-CD1 4.5Å; M238-F271 HydrophobicContact CB-CE1 4.33Å; M238-F271 HydrophobicContact CE-CB 3.95Å; M238-F271 HydrophobicContact CE-CD1 3.8Å; M238-F271 HydrophobicContact CE-CG 4.06Å; E239-F271 HydrophobicContact CB-CZ 4.32Å; E239-F271 HydrophobicContact CG-CE2 3.64Å; E239-F271 HydrophobicContact CG-CZ 3.66Å; C248-F271 HydrophobicContact CB-CD1 4.32Å; C248-F271 HydrophobicContact CB-CE1 4.49Å; L266-F271 HydrophobicContact CB-CB 4.25Å; L266-F271 HydrophobicContact CD2-CB 4.42Å; L266-F271 HydrophobicContact CD2-CD2 3.79Å; L266-F271 HydrophobicContact CD2-CE2 4.26Å; L266-F271 HydrophobicContact CD2-CG 4.07Å; L266-F271 PolarHBondContact O-N 3.34Å; F271-V273 HydrophobicContact CB-CG2 4.16Å; F271-V273 PolarHBondContact O-N 3.18Å; F271-V273 VanDerWaalsContact O-N 3.07Å
272	S	97.8	Very high	95.5	Very high	14 Å²	14	31.3 Å²	31.3	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	89.6	176.1	-40.6	0	0	0	0	110.5	D180 R249 W250	D180-S272 VanDerWaalsContact O-CA 3.25Å; D180-S272 WeakPolarHBondContact O-CA 3.25Å; D180-S272 VanDerWaalsContact O-CB 3.31Å; D180-S272 WeakPolarHBondContact O-CB 3.43Å; D180-S272 WeakPolarHBondContact OD2-CB 3.3Å; D180-S272 PolarHBondContact OD2-OG 3.1Å; R249-S272 WeakPolarHBondContact CA-O 3.29Å; R249-S272 VanDerWaalsContact NH1-CB 3.32Å; R249-S272 PolarHBondContact NH1-OG 3.04Å; R249-S272 VanDerWaalsContact NH1-OG 3.07Å; W250-S272 PolarHBondContact N-O 3.31Å
273	V	98.1	Very high	95.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.3	179.7	179.5	0	0	0	0	110.3	F181 C182 I183 I230 M238 W250 A263 L266 F271 A275	F181-V273 CarbonylContact C-O 3.1Å; F181-V273 VanDerWaalsContact CA-O 3.27Å; F181-V273 WeakPolarHBondContact CA-O 3.27Å; F181-V273 VanDerWaalsContact CB-O 3.28Å; F181-V273 WeakPolarHBondContact CB-O 3.4Å; C182-V273 PolarHBondContact N-O 3.31Å; I183-V273 HydrophobicContact CG2-CG1 4.31Å; I230-V273 HydrophobicContact CD1-CG1 4.49Å; M238-V273 HydrophobicContact CE-CG2 3.96Å; W250-V273 WeakPolarHBondContact O-CA 3.25Å; A263-V273 HydrophobicContact CB-CG1 4.22Å; L266-V273 HydrophobicContact CB-CG2 3.76Å; L266-V273 HydrophobicContact CD1-CG2 3.99Å; F271-V273 HydrophobicContact CB-CG2 4.16Å; F271-V273 PolarHBondContact O-N 3.18Å; F271-V273 VanDerWaalsContact O-N 3.07Å; V273-A275 HydrophobicContact CG1-CB 4.13Å
274	F	98	Very high	95.2	Very high	11 Å²	11	33.1 Å²	33.1	5%	0.048	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	89.8	175.1	-62.6	-94.8	0	0	0	107.5	C182 W250 A251 W286 C287 R290	C182-F274 HydrophobicContact CB-CD1 3.61Å; C182-F274 HydrophobicContact CB-CE1 4.16Å; C182-F274 HydrophobicContact CB-CG 4.48Å; C182-F274 CarbonylContact O-C 3.59Å; C182-F274 WeakPolarHBondContact O-CA 3.33Å; W250-F274 PolarHBondContact O-N 3.5Å; A251-F274 WeakPolarHBondContact CA-O 3.39Å; F274-W286 HydrophobicContact CD1-CH2 4.19Å; F274-W286 HydrophobicContact CD1-CZ3 4.07Å; F274-C287 HydrophobicContact CB-CB 3.99Å; F274-C287 VanDerWaalsContact O-CB 3.24Å; F274-C287 WeakPolarHBondContact O-CB 3.45Å; F274-C287 PolarHBondContact O-SG 3.07Å; F274-C287 VanDerWaalsContact O-SG 3.39Å; F274-R290 HydrophobicContact CB-CB 4.34Å; F274-R290 HydrophobicContact CD1-CB 3.5Å; F274-R290 VanDerWaalsContact CD1-CB 3.5Å; F274-R290 HydrophobicContact CD1-CG 3.93Å; F274-R290 HydrophobicContact CD2-CB 4.01Å; F274-R290 HydrophobicContact CE1-CB 3.73Å; F274-R290 HydrophobicContact CE1-CG 4.13Å; F274-R290 HydrophobicContact CE2-CB 4.21Å; F274-R290 HydrophobicContact CG-CB 3.66Å; F274-R290 HydrophobicContact CZ-CB 4.09Å
275	A	97.1	Very high	95.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.208	C	C	.	.			trans	-167.2	145.7	-175.9	0	0	0	0	0	113	C182 I183 I230 A252 T258 V273 E279	C182-A275 PolarHBondContact O-N 3.25Å; I183-A275 WeakPolarHBondContact CA-O 3.27Å; I230-A275 HydrophobicContact CG1-CB 3.72Å; A252-A275 HydrophobicContact CB-CB 4.04Å; T258-A275 HydrophobicContact CG2-CB 4.05Å; V273-A275 HydrophobicContact CG1-CB 4.13Å; A275-E279 WeakPolarHBondContact CA-OE1 3.35Å
276	W	95.9	Very high	95	Very high	8 Å²	8	39.3 Å²	39.3	3%	0.03	22%	0.218	C	C	.	.			trans	-152.9	163.6	165.2	58.1	94.1	0	0	0	112.1	P167 R168 C182 K184 N260 G278 E279 D283 W286 C287	P167-W276 HydrophobicContact CB-CD2 3.95Å; P167-W276 HydrophobicContact CB-CE3 3.83Å; P167-W276 HydrophobicContact CB-CH2 4.36Å; P167-W276 HydrophobicContact CB-CZ2 4.39Å; P167-W276 HydrophobicContact CB-CZ3 4.07Å; P167-W276 HydrophobicContact CG-CD2 3.64Å; P167-W276 HydrophobicContact CG-CE3 4.06Å; P167-W276 HydrophobicContact CG-CG 3.84Å; P167-W276 HydrophobicContact CG-CZ2 4.32Å; R168-W276 HydrophobicContact CG-CH2 3.63Å; R168-W276 HydrophobicContact CG-CZ2 4.36Å; R168-W276 HydrophobicContact CG-CZ3 4.38Å; C182-W276 HydrophobicContact CB-CZ3 4.38Å; K184-W276 HydrophobicContact CB-CB 3.96Å; N260-W276 WeakPolarHBondContact OD1-CA 3.31Å; W276-G278 PolarHBondContact O-N 2.99Å; W276-E279 HydrophobicContact CD2-CG 3.86Å; W276-E279 HydrophobicContact CE3-CG 4.4Å; W276-E279 HydrophobicContact CG-CG 4.13Å; W276-E279 HydrophobicContact CZ2-CG 4.11Å; W276-E279 PolarHBondContact N-OE1 2.63Å; W276-E279 WeakPolarHBondContact O-CG 3.19Å; W276-E279 VanDerWaalsContact O-OE1 3.07Å; W276-D283 HydrophobicContact CH2-CB 3.86Å; W276-D283 HydrophobicContact CZ2-CB 3.56Å; W276-D283 VanDerWaalsContact CZ2-CG 3.48Å; W276-W286 HydrophobicContact CZ3-CZ3 4.42Å; W276-C287 VanDerWaalsContact CZ3-SG 3.58Å
277	K	89.8	Confident	95	Very high	100 Å²	100	39.4 Å²	39.4	44%	0.435	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	125	174	-160.1	165	-174.3	151.1	0	110	Y256 T258 N260	Y256-K277 WeakPolarHBondContact O-CE 3.33Å; T258-K277 WeakPolarHBondContact O-CB 3.3Å; N260-K277 PolarHBondContact OD1-N 3Å
278	G	86.2	Confident	95	Very high	44 Å²	44	39.4 Å²	39.4	45%	0.454	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	35	-176.9	0	0	0	0	0	114	I255 W276	I255-G278 PolarHBondContact O-N 2.96Å; W276-G278 PolarHBondContact O-N 2.99Å
279	E	89.8	Confident	95	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.028	22%	0.215	C	C	.	.			trans	-57.4	143.5	164.3	-76.3	157.9	-149.3	0	0	111.4	I255 A275 W276 D283	I255-E279 HydrophobicContact CB-CB 3.87Å; I255-E279 WeakPolarHBondContact CB-O 3.45Å; I255-E279 HydrophobicContact CG2-CB 3.7Å; A275-E279 WeakPolarHBondContact CA-OE1 3.35Å; W276-E279 HydrophobicContact CD2-CG 3.86Å; W276-E279 HydrophobicContact CE3-CG 4.4Å; W276-E279 HydrophobicContact CG-CG 4.13Å; W276-E279 HydrophobicContact CZ2-CG 4.11Å; W276-E279 PolarHBondContact N-OE1 2.63Å; W276-E279 WeakPolarHBondContact O-CG 3.19Å; W276-E279 VanDerWaalsContact O-OE1 3.07Å; E279-D283 HydrophobicContact CB-CB 4.05Å; E279-D283 HydrophobicContact CG-CB 4.2Å
280	S	90.8	Very high	94.9	Very high	54 Å²	54	42.6 Å²	42.6	38%	0.378	22%	0.219	S	C	.	.			trans	-77.8	167.6	161	70.8	0	0	0	0	111	D282 D283 F284	S280-D282 PolarHBondContact O-N 3.05Å; S280-D283 VanDerWaalsContact CB-OD2 3.32Å; S280-D283 WeakPolarHBondContact CB-OD2 3.26Å; S280-D283 PolarHBondContact N-OD2 3.07Å; S280-D283 WeakPolarHBondContact O-CB 3.4Å; S280-D283 PolarHBondContact O-N 3.07Å; S280-D283 VanDerWaalsContact O-N 3.1Å; S280-D283 PolarHBondContact OG-N 2.67Å; S280-D283 PolarHBondContact OG-OD2 2.82Å; S280-F284 PolarHBondContact O-N 3.3Å
281	E	87.8	Confident	94.9	Very high	154 Å²	154	41.1 Å²	41.1	72%	0.72	20%	0.204	S	C	*	.	H	α-helix	trans	-60.9	-34.5	176	-62.5	-172.5	177.6	0	0	112.2	W285	E281-W285 PolarHBondContact O-N 3.22Å
282	D	94.5	Very high	94.9	Very high	129 Å²	129	39.7 Å²	39.7	69%	0.69	20%	0.197	S	C	*	.	H	α-helix	trans	-70.7	-32.5	174.3	-78.7	-28.7	0	0	0	112.7	S280 W286	S280-D282 PolarHBondContact O-N 3.05Å; D282-W286 VanDerWaalsContact O-CB 3.23Å; D282-W286 WeakPolarHBondContact O-CB 3.31Å; D282-W286 PolarHBondContact O-N 2.76Å; D282-W286 VanDerWaalsContact O-N 3.15Å
283	D	95.8	Very high	94.6	Very high	18 Å²	18	43.3 Å²	43.3	10%	0.096	22%	0.216	C	C	.	.	H	α-helix	trans	-70.5	-43.6	175.3	-63.7	-47.4	0	0	0	111.6	R168 W276 E279 S280 W285 W286 C287	R168-D283 WeakPolarHBondContact CD-OD1 3.38Å; R168-D283 IonicContact CZ-OD1 2.9Å; R168-D283 IonicContact NE-OD1 2.71Å; R168-D283 IonicContact NH1-OD1 3.41Å; R168-D283 PolarHBondContact NH1-OD1 3.3Å; W276-D283 HydrophobicContact CH2-CB 3.86Å; W276-D283 HydrophobicContact CZ2-CB 3.56Å; W276-D283 VanDerWaalsContact CZ2-CG 3.48Å; E279-D283 HydrophobicContact CB-CB 4.05Å; E279-D283 HydrophobicContact CG-CB 4.2Å; S280-D283 VanDerWaalsContact CB-OD2 3.32Å; S280-D283 WeakPolarHBondContact CB-OD2 3.26Å; S280-D283 PolarHBondContact N-OD2 3.07Å; S280-D283 WeakPolarHBondContact O-CB 3.4Å; S280-D283 PolarHBondContact O-N 3.07Å; S280-D283 VanDerWaalsContact O-N 3.1Å; S280-D283 PolarHBondContact OG-N 2.67Å; S280-D283 PolarHBondContact OG-OD2 2.82Å; D283-W285 PolarHBondContact O-N 3.1Å; D283-W286 CarbonylContact O-C 3.6Å; D283-W286 WeakPolarHBondContact O-CB 3.11Å; D283-W286 PolarHBondContact O-N 3Å; D283-W286 VanDerWaalsContact O-N 3.16Å; D283-C287 WeakPolarHBondContact O-CB 3.16Å; D283-C287 PolarHBondContact O-N 3.46Å; D283-C287 PolarHBondContact O-SG 3.18Å
284	F	94.4	Very high	94.4	Very high	19 Å²	19	45.1 Å²	45.1	8%	0.083	23%	0.227	C	C	.	.	H	α-helix	trans	-54.2	-54	177.2	174	-103.5	0	0	0	111.8	A252 I255 S280 W286 C287 I288	A252-F284 WeakPolarHBondContact O-CE2 3.49Å; I255-F284 HydrophobicContact CG2-CB 3.87Å; I255-F284 HydrophobicContact CG2-CD2 3.98Å; I255-F284 HydrophobicContact CG2-CG 4.15Å; S280-F284 PolarHBondContact O-N 3.3Å; F284-W286 VanDerWaalsContact C-N 3.32Å; F284-W286 PolarHBondContact O-N 3.13Å; F284-C287 WeakPolarHBondContact O-CB 3.48Å; F284-C287 PolarHBondContact O-N 3.4Å; F284-I288 HydrophobicContact CD1-CD1 4.3Å; F284-I288 HydrophobicContact CE1-CD1 3.8Å; F284-I288 HydrophobicContact CE2-CD1 4.22Å; F284-I288 HydrophobicContact CZ-CD1 3.77Å; F284-I288 PolarHBondContact O-N 2.92Å; F284-I288 VanDerWaalsContact O-N 3.12Å
285	W	96.6	Very high	93.9	Very high	78 Å²	78	54 Å²	54	30%	0.295	27%	0.268	S	S	.	.	H	α-helix	trans	-66.7	-32.6	177.5	-67.1	117.5	0	0	0	112.6	E281 D283 I288 D289 D308 W312	E281-W285 PolarHBondContact O-N 3.22Å; D283-W285 PolarHBondContact O-N 3.1Å; W285-I288 HydrophobicContact CE3-CD1 3.94Å; W285-I288 HydrophobicContact CZ3-CD1 4Å; W285-D289 WeakPolarHBondContact O-CB 3.34Å; W285-D289 PolarHBondContact O-N 3Å; W285-D308 HydrophobicContact CH2-CB 3.92Å; W285-D308 HydrophobicContact CZ3-CB 4.1Å; W285-W312 HydrophobicContact CB-CH2 3.83Å; W285-W312 HydrophobicContact CB-CZ2 4.41Å; W285-W312 HydrophobicContact CB-CZ3 4.04Å; W285-W312 HydrophobicContact CD2-CE3 4.04Å; W285-W312 HydrophobicContact CD2-CH2 4.49Å; W285-W312 AromaticContact CD2-CZ3 3.79Å; W285-W312 HydrophobicContact CD2-CZ3 3.79Å; W285-W312 AromaticContact CE3-CD2 3.98Å; W285-W312 HydrophobicContact CE3-CD2 3.98Å; W285-W312 AromaticContact CE3-CE3 3.3Å; W285-W312 HydrophobicContact CE3-CE3 3.3Å; W285-W312 HydrophobicContact CE3-CH2 4.39Å; W285-W312 AromaticContact CE3-CZ3 3.55Å; W285-W312 HydrophobicContact CE3-CZ3 3.55Å; W285-W312 HydrophobicContact CG-CH2 4.29Å; W285-W312 HydrophobicContact CG-CZ3 4.01Å; W285-W312 HydrophobicContact CZ3-CD2 4.43Å; W285-W312 AromaticContact CZ3-CE3 3.73Å; W285-W312 HydrophobicContact CZ3-CE3 3.73Å; W285-W312 HydrophobicContact CZ3-CZ3 4.31Å
286	W	97.3	Very high	93.6	Very high	55 Å²	55	57.9 Å²	57.9	21%	0.208	31%	0.308	C	S	.	.	H	α-helix	trans	-66.1	-40.4	173.3	177.8	95.6	0	0	0	112.2	R168 C182 F274 W276 D282 D283 F284 D289 R290	R168-W286 HydrophobicContact CG-CD2 4.34Å; R168-W286 HydrophobicContact CG-CE3 3.97Å; R168-W286 HydrophobicContact CG-CH2 3.86Å; R168-W286 HydrophobicContact CG-CZ2 4.2Å; R168-W286 HydrophobicContact CG-CZ3 3.74Å; C182-W286 HydrophobicContact CB-CH2 3.92Å; C182-W286 HydrophobicContact CB-CZ3 3.86Å; F274-W286 HydrophobicContact CD1-CH2 4.19Å; F274-W286 HydrophobicContact CD1-CZ3 4.07Å; W276-W286 HydrophobicContact CZ3-CZ3 4.42Å; D282-W286 VanDerWaalsContact O-CB 3.23Å; D282-W286 WeakPolarHBondContact O-CB 3.31Å; D282-W286 PolarHBondContact O-N 2.76Å; D282-W286 VanDerWaalsContact O-N 3.15Å; D283-W286 CarbonylContact O-C 3.6Å; D283-W286 WeakPolarHBondContact O-CB 3.11Å; D283-W286 PolarHBondContact O-N 3Å; D283-W286 VanDerWaalsContact O-N 3.16Å; F284-W286 VanDerWaalsContact C-N 3.32Å; F284-W286 PolarHBondContact O-N 3.13Å; W286-D289 WeakPolarHBondContact O-CB 3.45Å; W286-D289 PolarHBondContact O-N 2.96Å; W286-R290 HydrophobicContact CD2-CG 3.85Å; W286-R290 HydrophobicContact CE3-CG 3.98Å; W286-R290 HydrophobicContact CH2-CG 3.85Å; W286-R290 HydrophobicContact CZ2-CG 3.72Å; W286-R290 HydrophobicContact CZ3-CG 3.97Å; W286-R290 VanDerWaalsContact O-CG 3.26Å; W286-R290 WeakPolarHBondContact O-CG 3.27Å; W286-R290 PolarHBondContact O-N 2.59Å
287	C	97.9	Very high	93.5	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.007	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-46.6	176.8	-78.4	0	0	0	0	111.8	A251 F274 W276 D283 F284 D289 R290 C291	A251-C287 HydrophobicContact CB-CB 4.2Å; F274-C287 HydrophobicContact CB-CB 3.99Å; F274-C287 VanDerWaalsContact O-CB 3.24Å; F274-C287 WeakPolarHBondContact O-CB 3.45Å; F274-C287 PolarHBondContact O-SG 3.07Å; F274-C287 VanDerWaalsContact O-SG 3.39Å; W276-C287 VanDerWaalsContact CZ3-SG 3.58Å; D283-C287 WeakPolarHBondContact O-CB 3.16Å; D283-C287 PolarHBondContact O-N 3.46Å; D283-C287 PolarHBondContact O-SG 3.18Å; F284-C287 WeakPolarHBondContact O-CB 3.48Å; F284-C287 PolarHBondContact O-N 3.4Å; C287-D289 VanDerWaalsContact C-N 3.3Å; C287-D289 PolarHBondContact O-N 3.22Å; C287-R290 PolarHBondContact O-N 3.27Å; C287-C291 PolarHBondContact O-N 2.71Å; C287-C291 PolarHBondContact O-SG 3.19Å
288	I	97.9	Very high	93.8	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-57.5	-44.7	172.1	-67.2	173.5	0	0	0	110.2	A251 F284 W285 R290 C291 V292 L309 W312	A251-I288 HydrophobicContact CB-CG1 4Å; F284-I288 HydrophobicContact CD1-CD1 4.3Å; F284-I288 HydrophobicContact CE1-CD1 3.8Å; F284-I288 HydrophobicContact CE2-CD1 4.22Å; F284-I288 HydrophobicContact CZ-CD1 3.77Å; F284-I288 PolarHBondContact O-N 2.92Å; F284-I288 VanDerWaalsContact O-N 3.12Å; W285-I288 HydrophobicContact CE3-CD1 3.94Å; W285-I288 HydrophobicContact CZ3-CD1 4Å; I288-R290 PolarHBondContact O-N 3.35Å; I288-C291 PolarHBondContact O-N 2.98Å; I288-V292 WeakPolarHBondContact O-CG2 3.41Å; I288-V292 PolarHBondContact O-N 2.79Å; I288-L309 HydrophobicContact CG2-CD1 3.93Å; I288-W312 HydrophobicContact CG2-CB 3.92Å; I288-W312 HydrophobicContact CG2-CG 3.78Å
289	D	97.4	Very high	94.3	Very high	22 Å²	22	56.4 Å²	56.4	12%	0.118	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-39.6	179.5	-149.5	54.2	0	0	0	113.5	W285 W286 C287 C291 V292 N293 W312 K316 Y317	W285-D289 WeakPolarHBondContact O-CB 3.34Å; W285-D289 PolarHBondContact O-N 3Å; W286-D289 WeakPolarHBondContact O-CB 3.45Å; W286-D289 PolarHBondContact O-N 2.96Å; C287-D289 VanDerWaalsContact C-N 3.3Å; C287-D289 PolarHBondContact O-N 3.22Å; D289-C291 PolarHBondContact O-N 2.71Å; D289-V292 PolarHBondContact O-N 3.36Å; D289-V292 VanDerWaalsContact O-N 3.16Å; D289-N293 WeakPolarHBondContact O-CB 3.4Å; D289-N293 PolarHBondContact O-N 3.21Å; D289-W312 HydrophobicContact CB-CZ2 4.24Å; D289-W312 PolarHBondContact OD1-NE1 2.94Å; D289-K316 IonicContact OD1-NZ 2.69Å; D289-K316 PolarHBondContact OD1-NZ 3.34Å; D289-K316 IonicContact OD2-NZ 3.95Å; D289-K316 PolarHBondContact OD2-NZ 2.76Å; D289-Y317 WeakPolarHBondContact OD1-CE2 3.45Å; D289-Y317 PolarHBondContact OD1-OH 2.75Å; D289-Y317 VanDerWaalsContact OD1-OH 3.12Å
290	R	96.2	Very high	94.6	Very high	119 Å²	119	57.7 Å²	57.7	45%	0.449	30%	0.297	S	S	.	.	H	α-helix	trans	-67.9	-21.1	177.1	-68.9	-74	141.9	171.5	-5.2	113.6	R249 F274 W286 C287 I288	R249-R290 PolarHBondContact NE-O 3.16Å; R249-R290 PolarHBondContact NH2-O 3.18Å; F274-R290 HydrophobicContact CB-CB 4.34Å; F274-R290 HydrophobicContact CD1-CB 3.5Å; F274-R290 VanDerWaalsContact CD1-CB 3.5Å; F274-R290 HydrophobicContact CD1-CG 3.93Å; F274-R290 HydrophobicContact CD2-CB 4.01Å; F274-R290 HydrophobicContact CE1-CB 3.73Å; F274-R290 HydrophobicContact CE1-CG 4.13Å; F274-R290 HydrophobicContact CE2-CB 4.21Å; F274-R290 HydrophobicContact CG-CB 3.66Å; F274-R290 HydrophobicContact CZ-CB 4.09Å; W286-R290 HydrophobicContact CD2-CG 3.85Å; W286-R290 HydrophobicContact CE3-CG 3.98Å; W286-R290 HydrophobicContact CH2-CG 3.85Å; W286-R290 HydrophobicContact CZ2-CG 3.72Å; W286-R290 HydrophobicContact CZ3-CG 3.97Å; W286-R290 VanDerWaalsContact O-CG 3.26Å; W286-R290 WeakPolarHBondContact O-CG 3.27Å; W286-R290 PolarHBondContact O-N 2.59Å; C287-R290 PolarHBondContact O-N 3.27Å; I288-R290 PolarHBondContact O-N 3.35Å
291	C	96.9	Very high	95	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-84	-24.1	173.7	-62.7	0	0	0	0	112.7	V225 R249 W250 C287 I288 D289	V225-C291 HydrophobicContact CG2-CB 3.71Å; R249-C291 HydrophobicContact CB-CB 4.21Å; R249-C291 WeakPolarHBondContact CD-O 3.34Å; W250-C291 PolarHBondContact O-SG 3.02Å; W250-C291 VanDerWaalsContact O-SG 3.33Å; C287-C291 PolarHBondContact O-N 2.71Å; C287-C291 PolarHBondContact O-SG 3.19Å; I288-C291 PolarHBondContact O-N 2.98Å; D289-C291 PolarHBondContact O-N 2.71Å
292	V	96.1	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-98.7	-47.6	-174.6	172.4	0	0	0	0	113	V225 I288 D289 V294 L309 I313 Y317 M320	V225-V292 HydrophobicContact CG2-CG2 4.18Å; I288-V292 WeakPolarHBondContact O-CG2 3.41Å; I288-V292 PolarHBondContact O-N 2.79Å; D289-V292 PolarHBondContact O-N 3.36Å; D289-V292 VanDerWaalsContact O-N 3.16Å; V292-V294 PolarHBondContact O-N 3.29Å; V292-L309 HydrophobicContact CG2-CD1 3.57Å; V292-I313 HydrophobicContact CB-CG1 4.45Å; V292-I313 HydrophobicContact CG1-CG1 3.85Å; V292-I313 HydrophobicContact CG2-CD1 3.86Å; V292-I313 HydrophobicContact CG2-CG1 3.65Å; V292-Y317 HydrophobicContact CG1-CD2 3.63Å; V292-Y317 HydrophobicContact CG1-CE2 3.94Å; V292-Y317 HydrophobicContact CG1-CG 4.19Å; V292-M320 HydrophobicContact CG1-CE 4.11Å; V292-M320 HydrophobicContact CG1-SD 3.61Å; V292-M320 WeakPolarHBondContact O-CE 3.33Å
293	N	92.8	Very high	95.7	Very high	91 Å²	91	41.6 Å²	41.6	49%	0.487	21%	0.212	S	C	.	.			trans	-102.1	82.7	-164.6	-173.4	33.3	0	0	0	111.7	D289 Y317	D289-N293 WeakPolarHBondContact O-CB 3.4Å; D289-N293 PolarHBondContact O-N 3.21Å; N293-Y317 HydrophobicContact CB-CE1 4.1Å; N293-Y317 HydrophobicContact CB-CE2 4.34Å; N293-Y317 WeakPolarHBondContact CB-OH 3.27Å; N293-Y317 VanDerWaalsContact CG-OH 3.26Å; N293-Y317 PolarHBondContact ND2-OH 3.14Å; N293-Y317 VanDerWaalsContact ND2-OH 3.08Å
294	V	92.6	Very high	95.8	Very high	38 Å²	38	40.8 Å²	40.8	23%	0.23	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-127.9	138.1	-169.1	-171.4	0	0	0	0	110.8	V292 W297	V292-V294 PolarHBondContact O-N 3.29Å; V294-W297 HydrophobicContact CB-CB 4.08Å; V294-W297 HydrophobicContact CG1-CB 3.97Å; V294-W297 PolarHBondContact O-N 2.84Å
295	E	89.4	Confident	95.8	Very high	198 Å²	198	40.6 Å²	40.6	93%	0.925	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	135	176.1	-170.5	165.7	-158.4	0	0	111	W297	E295-W297 PolarHBondContact O-N 3.4Å
296	G	89.2	Confident	95.4	Very high	80 Å²	80	37.1 Å²	37.1	83%	0.825	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	-10.4	-175.8	0	0	0	0	0	116.2
297	W	94.9	Very high	95.2	Very high	26 Å²	26	34.7 Å²	34.7	10%	0.098	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-124	114	-178.1	-163.5	102.6	0	0	0	111.7	K223 V225 R249 V294 E295 P299	K223-W297 HydrophobicContact CB-CH2 4.16Å; K223-W297 HydrophobicContact CB-CZ2 3.58Å; K223-W297 HydrophobicContact CD-CD2 4.2Å; K223-W297 HydrophobicContact CD-CG 4.19Å; K223-W297 HydrophobicContact CD-CZ2 4.49Å; K223-W297 HydrophobicContact CG-CZ2 4.13Å; V225-W297 HydrophobicContact CB-CH2 4.29Å; R249-W297 HydrophobicContact CB-CH2 4.23Å; R249-W297 VanDerWaalsContact CD-CZ3 3.46Å; R249-W297 HydrophobicContact CG-CE3 4.44Å; R249-W297 HydrophobicContact CG-CH2 3.76Å; R249-W297 HydrophobicContact CG-CZ2 3.83Å; R249-W297 HydrophobicContact CG-CZ3 4.07Å; V294-W297 HydrophobicContact CB-CB 4.08Å; V294-W297 HydrophobicContact CG1-CB 3.97Å; V294-W297 PolarHBondContact O-N 2.84Å; E295-W297 PolarHBondContact O-N 3.4Å; W297-P299 HydrophobicContact CH2-CB 4Å; W297-P299 HydrophobicContact CZ3-CB 3.76Å; W297-P299 HydrophobicContact CZ3-CG 4.15Å
298	Q	94.7	Very high	95	Very high	94 Å²	94	36.2 Å²	36.2	44%	0.439	20%	0.196	S	C	.	.			trans	-114.8	131.3	170.9	-64.2	-175	-3.7	0	0	108.3	K223	K223-Q298 WeakPolarHBondContact CD-O 3.29Å
299	P	97	Very high	95	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.013	20%	0.196	C	C	.	.			trans	-61.9	150.8	173.3	25.9	-33	0	0	0	110.8	K223 V225 W297 M320 I324	K223-P299 WeakPolarHBondContact O-CA 3.49Å; V225-P299 HydrophobicContact CB-CB 4Å; V225-P299 HydrophobicContact CG1-CB 3.48Å; V225-P299 VanDerWaalsContact CG1-CB 3.48Å; V225-P299 HydrophobicContact CG1-CG 3.97Å; W297-P299 HydrophobicContact CH2-CB 4Å; W297-P299 HydrophobicContact CZ3-CB 3.76Å; W297-P299 HydrophobicContact CZ3-CG 4.15Å; P299-M320 VanDerWaalsContact CD-SD 3.52Å; P299-M320 HydrophobicContact CG-CG 4.26Å; P299-M320 HydrophobicContact CG-SD 3.56Å; P299-M320 VanDerWaalsContact CG-SD 3.56Å; P299-I324 HydrophobicContact CB-CD1 4.05Å; P299-I324 HydrophobicContact CG-CD1 4.15Å; P299-I324 WeakPolarHBondContact O-CD1 3.01Å
300	N	97.3	Very high	95	Very high	32 Å²	32	35.3 Å²	35.3	17%	0.171	19%	0.191	C	C	.	.	S	Bend	trans	-129.6	-3.7	171.2	68.3	26.5	0	0	0	113	G221 A222 K223 K325	G221-N300 PolarHBondContact O-ND2 3.26Å; A222-N300 WeakPolarHBondContact CA-OD1 3.23Å; K223-N300 PolarHBondContact N-OD1 2.85Å; K223-N300 PolarHBondContact O-N 3.46Å; N300-K325 WeakPolarHBondContact O-CB 3.01Å; N300-K325 PolarHBondContact O-N 2.93Å
301	M	98.5	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.8	171.2	-69	-58.1	-58.7	0	0	109.2	K223 V224 V225 K325 G326 L542 L545 Y546	K223-M301 PolarHBondContact O-N 3.14Å; K223-M301 VanDerWaalsContact O-N 3.09Å; V224-M301 WeakPolarHBondContact CA-O 3.31Å; V224-M301 HydrophobicContact CG2-CB 4.03Å; V225-M301 PolarHBondContact N-O 3.08Å; M301-K325 HydrophobicContact SD-CB 3.71Å; M301-G326 WeakPolarHBondContact CE-O 3.36Å; M301-L542 HydrophobicContact CB-CD2 4.08Å; M301-L542 HydrophobicContact CE-CD2 3.58Å; M301-L542 HydrophobicContact CG-CD2 4.49Å; M301-L545 HydrophobicContact CE-CB 3.69Å; M301-L545 HydrophobicContact CE-CD1 4.24Å; M301-Y546 HydrophobicContact CG-CD2 3.95Å; M301-Y546 HydrophobicContact SD-CD2 4.11Å
302	I	98.6	Very high	94.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.7	171.9	-64.9	171	0	0	0	108.8	V225 D304 L309 I313 I324 G326 I327 V328	V225-I302 HydrophobicContact CG1-CG1 4.03Å; V225-I302 WeakPolarHBondContact O-CA 3.25Å; I302-D304 HydrophobicContact CG2-CB 3.98Å; I302-L309 HydrophobicContact CG2-CD2 3.9Å; I302-L309 HydrophobicContact CG2-CG 4.17Å; I302-I313 HydrophobicContact CD1-CD1 3.52Å; I302-I313 HydrophobicContact CG1-CD1 3.86Å; I302-I324 HydrophobicContact CD1-CD1 4.27Å; I302-I324 HydrophobicContact CD1-CG1 3.99Å; I302-I324 HydrophobicContact CD1-CG2 4.1Å; I302-I324 HydrophobicContact CG1-CD1 4.1Å; I302-I324 HydrophobicContact CG1-CG1 4.3Å; I302-I324 HydrophobicContact CG1-CG2 4.05Å; I302-G326 PolarHBondContact N-O 2.87Å; I302-G326 VanDerWaalsContact N-O 3.09Å; I302-I327 HydrophobicContact CB-CB 4.46Å; I302-I327 HydrophobicContact CB-CG1 4.24Å; I302-I327 HydrophobicContact CB-CG2 4.25Å; I302-I327 HydrophobicContact CD1-CG1 4.19Å; I302-I327 HydrophobicContact CG2-CG2 4.06Å; I302-I327 CarbonylContact O-C 3.6Å; I302-V328 PolarHBondContact O-N 3.03Å
303	L	98.7	Very high	95	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.6	162.4	-172.3	160.7	0	0	0	107.7	V224 V225 G226 C227 T228 L237 W250 V328 Q538 L542	V224-L303 HydrophobicContact CG1-CB 4.26Å; V225-L303 PolarHBondContact O-N 2.91Å; G226-L303 CarbonylContact C-O 3.6Å; G226-L303 VanDerWaalsContact CA-O 3.27Å; G226-L303 WeakPolarHBondContact CA-O 3.49Å; C227-L303 PolarHBondContact N-O 3.14Å; T228-L303 HydrophobicContact CG2-CD2 3.29Å; L237-L303 HydrophobicContact CD2-CD1 4.26Å; W250-L303 HydrophobicContact CH2-CD1 4.17Å; W250-L303 HydrophobicContact CH2-CD2 4.41Å; W250-L303 HydrophobicContact CZ2-CD1 4.46Å; W250-L303 HydrophobicContact CZ2-CD2 3.95Å; L303-V328 CarbonylContact C-O 3.53Å; L303-V328 WeakPolarHBondContact CA-O 3.39Å; L303-V328 HydrophobicContact CG-CB 4.48Å; L303-V328 HydrophobicContact CG-CG1 4.5Å; L303-Q538 HydrophobicContact CD1-CB 3.95Å; L303-Q538 HydrophobicContact CD1-CG 4.44Å; L303-L542 HydrophobicContact CD1-CD1 3.7Å; L303-L542 HydrophobicContact CD1-CG 4.32Å
304	D	98.1	Very high	95.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	148	-164.1	-148.3	-16.5	0	0	0	111.5	C227 I302 G307 D308 T310 V328 E329 E330	C227-D304 CarbonylContact O-C 3.04Å; I302-D304 HydrophobicContact CG2-CB 3.98Å; D304-G307 VanDerWaalsContact CG-CA 3.45Å; D304-G307 WeakPolarHBondContact OD1-CA 3.35Å; D304-G307 PolarHBondContact OD1-N 2.93Å; D304-G307 VanDerWaalsContact OD2-CA 3.27Å; D304-G307 WeakPolarHBondContact OD2-CA 3.22Å; D304-D308 PolarHBondContact OD1-N 3.21Å; D304-T310 WeakPolarHBondContact OD2-CA 3.47Å; D304-T310 WeakPolarHBondContact OD2-CB 3.42Å; D304-T310 PolarHBondContact OD2-N 2.94Å; D304-T310 PolarHBondContact OD2-OG1 2.71Å; D304-V328 PolarHBondContact N-O 2.87Å; D304-E329 WeakPolarHBondContact O-CA 3.16Å; D304-E330 PolarHBondContact O-N 3.43Å
305	D	94.4	Very high	95.2	Very high	16 Å²	16	39.2 Å²	39.2	9%	0.086	20%	0.202	C	C	.	.	S	Bend	trans	-138.3	105	176.4	171.1	34	0	0	0	107.9	C227 T228 H229 C253 E330 S331	C227-D305 PolarHBondContact O-N 3.1Å; T228-D305 HydrophobicContact CG2-CB 3.99Å; H229-D305 IonicContact CD2-OD2 3.02Å; H229-D305 IonicContact CE1-OD2 3.27Å; H229-D305 IonicContact NE2-OD2 2.69Å; H229-D305 PolarHBondContact NE2-OD2 3.41Å; C253-D305 HydrophobicContact CB-CB 4.41Å; C253-D305 VanDerWaalsContact CB-O 3.28Å; C253-D305 WeakPolarHBondContact CB-O 3.4Å; C253-D305 PolarHBondContact SG-OD2 3.49Å; D305-E330 HydrophobicContact CB-CB 4.25Å; D305-S331 WeakPolarHBondContact OD1-CB 3.03Å
306	G	87.9	Confident	95.5	Very high	5 Å²	5	34.3 Å²	34.3	5%	0.052	18%	0.178	C	C	.	.	S	Bend	trans	102.5	-22.3	-172.3	0	0	0	0	0	113	E329 S331 G334 R337	G306-E329 PolarHBondContact N-OE1 3.09Å; G306-S331 VanDerWaalsContact CA-OG 3.22Å; G306-S331 WeakPolarHBondContact CA-OG 3.33Å; G306-S331 PolarHBondContact N-OG 2.89Å; G306-G334 WeakPolarHBondContact O-CA 3.46Å; G306-G334 PolarHBondContact O-N 3.33Å; G306-R337 WeakPolarHBondContact O-CD 3.49Å; G306-R337 VanDerWaalsContact O-CZ 3.3Å; G306-R337 PolarHBondContact O-NH1 3.24Å
307	G	92.3	Very high	95.9	Very high	4 Å²	4	32.3 Å²	32.3	4%	0.041	15%	0.146	C	C	.	.	S	Bend	trans	84.3	12.5	176.4	0	0	0	0	0	114.8	D304 H311 E329 R337	D304-G307 VanDerWaalsContact CG-CA 3.45Å; D304-G307 WeakPolarHBondContact OD1-CA 3.35Å; D304-G307 PolarHBondContact OD1-N 2.93Å; D304-G307 VanDerWaalsContact OD2-CA 3.27Å; D304-G307 WeakPolarHBondContact OD2-CA 3.22Å; G307-H311 WeakPolarHBondContact O-CB 3.42Å; G307-H311 PolarHBondContact O-N 3.33Å; G307-E329 WeakPolarHBondContact CA-OE2 3.35Å; G307-E329 PolarHBondContact N-OE2 2.9Å; G307-E329 VanDerWaalsContact N-OE2 3.11Å; G307-R337 VanDerWaalsContact C-NH1 3.31Å; G307-R337 PolarHBondContact O-NH1 3Å
308	D	94.8	Very high	95.8	Very high	32 Å²	32	34 Å²	34	17%	0.171	16%	0.16	C	C	.	.	H	α-helix	trans	-75.5	-33.4	-175.4	-76.3	-40.8	0	0	0	112.4	W285 D304 H311 W312 R337	W285-D308 HydrophobicContact CH2-CB 3.92Å; W285-D308 HydrophobicContact CZ3-CB 4.1Å; D304-D308 PolarHBondContact OD1-N 3.21Å; D308-H311 PolarHBondContact O-N 3.49Å; D308-W312 WeakPolarHBondContact O-CB 3.34Å; D308-W312 PolarHBondContact O-N 2.7Å; D308-R337 VanDerWaalsContact CG-NH1 3.34Å; D308-R337 IonicContact OD1-CZ 3.53Å; D308-R337 VanDerWaalsContact OD1-CZ 3.27Å; D308-R337 IonicContact OD1-NH1 3.58Å; D308-R337 PolarHBondContact OD1-NH1 3.19Å; D308-R337 IonicContact OD1-NH2 3.61Å; D308-R337 PolarHBondContact OD1-NH2 3.22Å; D308-R337 IonicContact OD2-NH1 3.65Å
309	L	97.2	Very high	95.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-67.9	-43.6	173	166.7	65.7	0	0	0	111.3	V225 C227 I288 V292 I302 H311 W312 I313	V225-L309 HydrophobicContact CB-CD2 4.45Å; V225-L309 HydrophobicContact CG1-CD1 4.29Å; V225-L309 HydrophobicContact CG1-CD2 4.13Å; V225-L309 HydrophobicContact CG2-CD1 3.81Å; V225-L309 HydrophobicContact CG2-CD2 3.94Å; C227-L309 HydrophobicContact CB-CB 3.42Å; C227-L309 VanDerWaalsContact CB-CB 3.42Å; C227-L309 HydrophobicContact CB-CD2 3.54Å; C227-L309 HydrophobicContact CB-CG 4.07Å; I288-L309 HydrophobicContact CG2-CD1 3.93Å; V292-L309 HydrophobicContact CG2-CD1 3.57Å; I302-L309 HydrophobicContact CG2-CD2 3.9Å; I302-L309 HydrophobicContact CG2-CG 4.17Å; L309-H311 VanDerWaalsContact C-N 3.32Å; L309-H311 PolarHBondContact O-N 3.27Å; L309-W312 PolarHBondContact O-N 2.92Å; L309-I313 HydrophobicContact CD1-CD1 3.64Å; L309-I313 HydrophobicContact CD1-CG1 4.11Å; L309-I313 HydrophobicContact CG-CD1 4.03Å; L309-I313 WeakPolarHBondContact O-CG1 3.17Å; L309-I313 PolarHBondContact O-N 3.34Å
310	T	97.3	Very high	95.6	Very high	4 Å²	4	36 Å²	36	3%	0.025	17%	0.173	C	C	.	.	H	α-helix	trans	-56.5	-46.9	171	-68.2	0	0	0	0	110.5	D304 Y314 F321 I327 L338	D304-T310 WeakPolarHBondContact OD2-CA 3.47Å; D304-T310 WeakPolarHBondContact OD2-CB 3.42Å; D304-T310 PolarHBondContact OD2-N 2.94Å; D304-T310 PolarHBondContact OD2-OG1 2.71Å; T310-Y314 WeakPolarHBondContact O-CB 3.41Å; T310-Y314 PolarHBondContact O-N 2.99Å; T310-F321 HydrophobicContact CG2-CE2 4.21Å; T310-I327 HydrophobicContact CG2-CD1 3.82Å; T310-L338 HydrophobicContact CG2-CD2 4.08Å
311	H	95.3	Very high	95.5	Very high	83 Å²	83	34.5 Å²	34.5	38%	0.384	17%	0.165	S	C	.	.	H	α-helix	trans	-62.3	-44.2	177.3	-162.8	94.5	0	0	0	111.8	G307 D308 L309 Y314 K315	G307-H311 WeakPolarHBondContact O-CB 3.42Å; G307-H311 PolarHBondContact O-N 3.33Å; D308-H311 PolarHBondContact O-N 3.49Å; L309-H311 VanDerWaalsContact C-N 3.32Å; L309-H311 PolarHBondContact O-N 3.27Å; H311-Y314 PolarHBondContact O-N 3.4Å; H311-K315 WeakPolarHBondContact NE2-CE 3.42Å; H311-K315 WeakPolarHBondContact NE2-CG 3.48Å; H311-K315 VanDerWaalsContact O-CB 3.3Å; H311-K315 WeakPolarHBondContact O-CB 3.43Å; H311-K315 VanDerWaalsContact O-CG 3.23Å; H311-K315 WeakPolarHBondContact O-CG 3.43Å; H311-K315 PolarHBondContact O-N 2.72Å
312	W	96.7	Very high	95.2	Very high	54 Å²	54	41.1 Å²	41.1	21%	0.205	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-49.9	-179.9	-167.3	-104.6	0	0	0	112.2	W285 I288 D289 D308 L309 Y314 K315 K316	W285-W312 HydrophobicContact CB-CH2 3.83Å; W285-W312 HydrophobicContact CB-CZ2 4.41Å; W285-W312 HydrophobicContact CB-CZ3 4.04Å; W285-W312 HydrophobicContact CD2-CE3 4.04Å; W285-W312 HydrophobicContact CD2-CH2 4.49Å; W285-W312 AromaticContact CD2-CZ3 3.79Å; W285-W312 HydrophobicContact CD2-CZ3 3.79Å; W285-W312 AromaticContact CE3-CD2 3.98Å; W285-W312 HydrophobicContact CE3-CD2 3.98Å; W285-W312 AromaticContact CE3-CE3 3.3Å; W285-W312 HydrophobicContact CE3-CE3 3.3Å; W285-W312 HydrophobicContact CE3-CH2 4.39Å; W285-W312 AromaticContact CE3-CZ3 3.55Å; W285-W312 HydrophobicContact CE3-CZ3 3.55Å; W285-W312 HydrophobicContact CG-CH2 4.29Å; W285-W312 HydrophobicContact CG-CZ3 4.01Å; W285-W312 HydrophobicContact CZ3-CD2 4.43Å; W285-W312 AromaticContact CZ3-CE3 3.73Å; W285-W312 HydrophobicContact CZ3-CE3 3.73Å; W285-W312 HydrophobicContact CZ3-CZ3 4.31Å; I288-W312 HydrophobicContact CG2-CB 3.92Å; I288-W312 HydrophobicContact CG2-CG 3.78Å; D289-W312 HydrophobicContact CB-CZ2 4.24Å; D289-W312 PolarHBondContact OD1-NE1 2.94Å; D308-W312 WeakPolarHBondContact O-CB 3.34Å; D308-W312 PolarHBondContact O-N 2.7Å; L309-W312 PolarHBondContact O-N 2.92Å; W312-Y314 PolarHBondContact O-N 3.38Å; W312-K315 PolarHBondContact O-N 3.05Å; W312-K316 HydrophobicContact CD2-CD 4.49Å; W312-K316 HydrophobicContact CH2-CD 4.42Å; W312-K316 HydrophobicContact CZ2-CD 3.68Å; W312-K316 WeakPolarHBondContact O-CB 3.48Å; W312-K316 PolarHBondContact O-N 2.92Å
313	I	96.5	Very high	95	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-43.4	177.7	-60.5	166.2	0	0	0	110.3	V225 V292 I302 L309 K315 Y317 M320 F321	V225-I313 HydrophobicContact CG1-CD1 3.94Å; V292-I313 HydrophobicContact CB-CG1 4.45Å; V292-I313 HydrophobicContact CG1-CG1 3.85Å; V292-I313 HydrophobicContact CG2-CD1 3.86Å; V292-I313 HydrophobicContact CG2-CG1 3.65Å; I302-I313 HydrophobicContact CD1-CD1 3.52Å; I302-I313 HydrophobicContact CG1-CD1 3.86Å; L309-I313 HydrophobicContact CD1-CD1 3.64Å; L309-I313 HydrophobicContact CD1-CG1 4.11Å; L309-I313 HydrophobicContact CG-CD1 4.03Å; L309-I313 WeakPolarHBondContact O-CG1 3.17Å; L309-I313 PolarHBondContact O-N 3.34Å; I313-K315 PolarHBondContact O-N 3.37Å; I313-Y317 CarbonylContact O-C 3.59Å; I313-Y317 VanDerWaalsContact O-CA 3.29Å; I313-Y317 WeakPolarHBondContact O-CA 3.39Å; I313-Y317 PolarHBondContact O-N 2.88Å; I313-M320 HydrophobicContact CG2-SD 4.48Å; I313-F321 HydrophobicContact CB-CD2 4.3Å; I313-F321 HydrophobicContact CG2-CB 3.99Å; I313-F321 HydrophobicContact CG2-CD2 3.92Å; I313-F321 HydrophobicContact CG2-CG 4.48Å
314	Y	95	Very high	94.8	Very high	57 Å²	57	47.1 Å²	47.1	22%	0.224	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-44.1	177	173.1	-104.8	0	0	0	112.8	T310 H311 W312 F321 L341	T310-Y314 WeakPolarHBondContact O-CB 3.41Å; T310-Y314 PolarHBondContact O-N 2.99Å; H311-Y314 PolarHBondContact O-N 3.4Å; W312-Y314 PolarHBondContact O-N 3.38Å; Y314-F321 AromaticContact CD2-CD1 3.81Å; Y314-F321 HydrophobicContact CD2-CD1 3.81Å; Y314-F321 AromaticContact CD2-CE1 3.68Å; Y314-F321 HydrophobicContact CD2-CE1 3.68Å; Y314-F321 HydrophobicContact CD2-CG 4.39Å; Y314-F321 HydrophobicContact CD2-CZ 4.16Å; Y314-F321 HydrophobicContact CE2-CE1 4.47Å; Y314-L341 HydrophobicContact CE1-CD2 4.06Å; Y314-L341 HydrophobicContact CE2-CD2 4.43Å
315	K	95	Very high	94.8	Very high	135 Å²	135	51.7 Å²	51.7	59%	0.587	24%	0.24	S	C	*	.	H	α-helix	trans	-77.1	-52	-177.8	-72.9	-70.2	-169.3	164	0	113.3	H311 W312 I313	H311-K315 WeakPolarHBondContact NE2-CE 3.42Å; H311-K315 WeakPolarHBondContact NE2-CG 3.48Å; H311-K315 VanDerWaalsContact O-CB 3.3Å; H311-K315 WeakPolarHBondContact O-CB 3.43Å; H311-K315 VanDerWaalsContact O-CG 3.23Å; H311-K315 WeakPolarHBondContact O-CG 3.43Å; H311-K315 PolarHBondContact O-N 2.72Å; W312-K315 PolarHBondContact O-N 3.05Å; I313-K315 PolarHBondContact O-N 3.37Å
316	K	96.9	Very high	94.9	Very high	96 Å²	96	50.9 Å²	50.9	42%	0.417	24%	0.236	S	C	.	.	H	α-helix	trans	-92.8	-27.8	-167.8	-166.9	176.4	173.9	-165.5	0	112.7	D289 W312 P318	D289-K316 IonicContact OD1-NZ 2.69Å; D289-K316 PolarHBondContact OD1-NZ 3.34Å; D289-K316 IonicContact OD2-NZ 3.95Å; D289-K316 PolarHBondContact OD2-NZ 2.76Å; W312-K316 HydrophobicContact CD2-CD 4.49Å; W312-K316 HydrophobicContact CH2-CD 4.42Å; W312-K316 HydrophobicContact CZ2-CD 3.68Å; W312-K316 WeakPolarHBondContact O-CB 3.48Å; W312-K316 PolarHBondContact O-N 2.92Å; K316-P318 VanDerWaalsContact C-CD 3.42Å
317	Y	96	Very high	95.4	Very high	38 Å²	38	50.7 Å²	50.7	15%	0.149	23%	0.234	C	C	.	.			trans	-128.2	52.9	-176.7	-58.3	-78.4	0	0	0	113.1	D289 V292 N293 I313 N319 M320 F321	D289-Y317 WeakPolarHBondContact OD1-CE2 3.45Å; D289-Y317 PolarHBondContact OD1-OH 2.75Å; D289-Y317 VanDerWaalsContact OD1-OH 3.12Å; V292-Y317 HydrophobicContact CG1-CD2 3.63Å; V292-Y317 HydrophobicContact CG1-CE2 3.94Å; V292-Y317 HydrophobicContact CG1-CG 4.19Å; N293-Y317 HydrophobicContact CB-CE1 4.1Å; N293-Y317 HydrophobicContact CB-CE2 4.34Å; N293-Y317 WeakPolarHBondContact CB-OH 3.27Å; N293-Y317 VanDerWaalsContact CG-OH 3.26Å; N293-Y317 PolarHBondContact ND2-OH 3.14Å; N293-Y317 VanDerWaalsContact ND2-OH 3.08Å; I313-Y317 CarbonylContact O-C 3.59Å; I313-Y317 VanDerWaalsContact O-CA 3.29Å; I313-Y317 WeakPolarHBondContact O-CA 3.39Å; I313-Y317 PolarHBondContact O-N 2.88Å; Y317-N319 PolarHBondContact O-N 3.39Å; Y317-M320 HydrophobicContact CD1-CE 4.36Å; Y317-M320 HydrophobicContact CG-CE 4.46Å; Y317-M320 WeakPolarHBondContact O-CA 3.28Å; Y317-M320 VanDerWaalsContact O-CB 3.32Å; Y317-M320 WeakPolarHBondContact O-CB 3.39Å; Y317-M320 PolarHBondContact O-N 2.84Å; Y317-F321 PolarHBondContact O-N 3.39Å
318	P	94.3	Very high	95.7	Very high	60 Å²	60	50.5 Å²	50.5	39%	0.39	23%	0.232	S	C	.	.	H	α-helix	trans	-60.6	-25.1	-173.1	24.5	-35.5	0	0	0	114.5	K316 K322	K316-P318 VanDerWaalsContact C-CD 3.42Å; P318-K322 WeakPolarHBondContact O-CG 3.31Å; P318-K322 PolarHBondContact O-N 3.21Å
319	N	93.5	Very high	95.8	Very high	120 Å²	120	49 Å²	49	64%	0.642	22%	0.224	S	C	*	.	H	α-helix	trans	-79.8	-18.5	174.1	-69.6	-22.7	0	0	0	113.6	Y317	Y317-N319 PolarHBondContact O-N 3.39Å
320	M	94.3	Very high	95.7	Very high	18 Å²	18	50.1 Å²	50.1	9%	0.089	23%	0.229	C	C	.	.	H	α-helix	trans	-85.9	-40.6	169.4	-171.8	-169.6	-72.7	0	0	110.3	V292 P299 I313 Y317 K322 K323 I324	V292-M320 HydrophobicContact CG1-CE 4.11Å; V292-M320 HydrophobicContact CG1-SD 3.61Å; V292-M320 WeakPolarHBondContact O-CE 3.33Å; P299-M320 VanDerWaalsContact CD-SD 3.52Å; P299-M320 HydrophobicContact CG-CG 4.26Å; P299-M320 HydrophobicContact CG-SD 3.56Å; P299-M320 VanDerWaalsContact CG-SD 3.56Å; I313-M320 HydrophobicContact CG2-SD 4.48Å; Y317-M320 HydrophobicContact CD1-CE 4.36Å; Y317-M320 HydrophobicContact CG-CE 4.46Å; Y317-M320 WeakPolarHBondContact O-CA 3.28Å; Y317-M320 VanDerWaalsContact O-CB 3.32Å; Y317-M320 WeakPolarHBondContact O-CB 3.39Å; Y317-M320 PolarHBondContact O-N 2.84Å; M320-K322 VanDerWaalsContact C-N 3.26Å; M320-K322 PolarHBondContact O-N 2.85Å; M320-K323 WeakPolarHBondContact O-CA 3.42Å; M320-K323 WeakPolarHBondContact O-CB 3.12Å; M320-K323 PolarHBondContact O-N 3.43Å; M320-I324 PolarHBondContact O-N 2.86Å
321	F	94.7	Very high	95.3	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.009	23%	0.229	C	C	.	.	H	α-helix	trans	-52.4	-43.5	176.3	-167.5	-109.1	0	0	0	112.2	T310 I313 Y314 Y317 K323 I324 I327 L347 C348 V349	T310-F321 HydrophobicContact CG2-CE2 4.21Å; I313-F321 HydrophobicContact CB-CD2 4.3Å; I313-F321 HydrophobicContact CG2-CB 3.99Å; I313-F321 HydrophobicContact CG2-CD2 3.92Å; I313-F321 HydrophobicContact CG2-CG 4.48Å; Y314-F321 AromaticContact CD2-CD1 3.81Å; Y314-F321 HydrophobicContact CD2-CD1 3.81Å; Y314-F321 AromaticContact CD2-CE1 3.68Å; Y314-F321 HydrophobicContact CD2-CE1 3.68Å; Y314-F321 HydrophobicContact CD2-CG 4.39Å; Y314-F321 HydrophobicContact CD2-CZ 4.16Å; Y314-F321 HydrophobicContact CE2-CE1 4.47Å; Y317-F321 PolarHBondContact O-N 3.39Å; F321-K323 PolarHBondContact O-N 2.88Å; F321-K323 VanDerWaalsContact O-N 3.11Å; F321-I324 WeakPolarHBondContact O-CB 3.44Å; F321-I324 PolarHBondContact O-N 3.33Å; F321-I324 VanDerWaalsContact O-N 3.12Å; F321-I327 HydrophobicContact CE2-CD1 4.02Å; F321-I327 HydrophobicContact CZ-CD1 4.08Å; F321-L347 HydrophobicContact CZ-CD1 4.36Å; F321-C348 HydrophobicContact CD1-CB 3.93Å; F321-C348 HydrophobicContact CE1-CB 3.88Å; F321-V349 HydrophobicContact CE1-CG2 4.3Å; F321-V349 HydrophobicContact CE2-CG2 4.41Å; F321-V349 HydrophobicContact CZ-CG2 3.97Å; F321-V349 WeakPolarHBondContact O-CG1 3.41Å
322	K	92.6	Very high	94.8	Very high	138 Å²	138	50.1 Å²	50.1	60%	0.6	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-10.6	174.9	-69.3	169.8	-175.3	173.5	0	115.4	P318 M320	P318-K322 WeakPolarHBondContact O-CG 3.31Å; P318-K322 PolarHBondContact O-N 3.21Å; M320-K322 VanDerWaalsContact C-N 3.26Å; M320-K322 PolarHBondContact O-N 2.85Å
323	K	92.8	Very high	94.2	Very high	121 Å²	121	50 Å²	50	53%	0.526	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-7.3	176.3	-56.9	-176.1	-173.4	-177.5	0	113.4	M320 F321 K325	M320-K323 WeakPolarHBondContact O-CA 3.42Å; M320-K323 WeakPolarHBondContact O-CB 3.12Å; M320-K323 PolarHBondContact O-N 3.43Å; F321-K323 PolarHBondContact O-N 2.88Å; F321-K323 VanDerWaalsContact O-N 3.11Å; K323-K325 PolarHBondContact O-N 3.01Å
324	I	96.3	Very high	93.9	Very high	6 Å²	6	50 Å²	50	3%	0.031	24%	0.24	C	C	.	.			trans	-67	126.1	174.6	-59	-60.7	0	0	0	107.9	P299 I302 M320 F321 G326 I327 V349	P299-I324 HydrophobicContact CB-CD1 4.05Å; P299-I324 HydrophobicContact CG-CD1 4.15Å; P299-I324 WeakPolarHBondContact O-CD1 3.01Å; I302-I324 HydrophobicContact CD1-CD1 4.27Å; I302-I324 HydrophobicContact CD1-CG1 3.99Å; I302-I324 HydrophobicContact CD1-CG2 4.1Å; I302-I324 HydrophobicContact CG1-CD1 4.1Å; I302-I324 HydrophobicContact CG1-CG1 4.3Å; I302-I324 HydrophobicContact CG1-CG2 4.05Å; M320-I324 PolarHBondContact O-N 2.86Å; F321-I324 WeakPolarHBondContact O-CB 3.44Å; F321-I324 PolarHBondContact O-N 3.33Å; F321-I324 VanDerWaalsContact O-N 3.12Å; I324-G326 VanDerWaalsContact CG2-O 3.24Å; I324-G326 WeakPolarHBondContact CG2-O 2.96Å; I324-I327 HydrophobicContact CG2-CG1 4.39Å; I324-V349 HydrophobicContact CB-CG1 4.2Å; I324-V349 WeakPolarHBondContact O-CG1 3.32Å
325	K	96.1	Very high	93.9	Very high	95 Å²	95	47.5 Å²	47.5	41%	0.413	23%	0.231	S	C	.	.			trans	-72.6	-31.3	176.1	-74.4	-179.7	165.5	-167.2	0	112.1	N300 M301 K323 P350 Y546	N300-K325 WeakPolarHBondContact O-CB 3.01Å; N300-K325 PolarHBondContact O-N 2.93Å; M301-K325 HydrophobicContact SD-CB 3.71Å; K323-K325 PolarHBondContact O-N 3.01Å; K325-P350 VanDerWaalsContact O-CD 3.32Å; K325-P350 WeakPolarHBondContact O-CD 3.38Å; K325-P350 WeakPolarHBondContact O-CG 3.19Å; K325-Y546 HydrophobicContact CD-CD2 3.64Å; K325-Y546 HydrophobicContact CD-CE2 3.81Å; K325-Y546 PolarHBondContact NZ-O 2.86Å
326	G	97.3	Very high	93.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	163.9	174.7	0	0	0	0	0	114.7	M301 I302 I324 P350	M301-G326 WeakPolarHBondContact CE-O 3.36Å; I302-G326 PolarHBondContact N-O 2.87Å; I302-G326 VanDerWaalsContact N-O 3.09Å; I324-G326 VanDerWaalsContact CG2-O 3.24Å; I324-G326 WeakPolarHBondContact CG2-O 2.96Å; G326-P350 CarbonylContact C-O 3.52Å; G326-P350 WeakPolarHBondContact CA-O 3.38Å
327	I	98.6	Very high	93.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.5	179.7	-54.3	174.4	0	0	0	108.8	I302 T310 F321 I324 L338 L347 V349 P350 A351 M352 L545	I302-I327 HydrophobicContact CB-CB 4.46Å; I302-I327 HydrophobicContact CB-CG1 4.24Å; I302-I327 HydrophobicContact CB-CG2 4.25Å; I302-I327 HydrophobicContact CD1-CG1 4.19Å; I302-I327 HydrophobicContact CG2-CG2 4.06Å; I302-I327 CarbonylContact O-C 3.6Å; T310-I327 HydrophobicContact CG2-CD1 3.82Å; F321-I327 HydrophobicContact CE2-CD1 4.02Å; F321-I327 HydrophobicContact CZ-CD1 4.08Å; I324-I327 HydrophobicContact CG2-CG1 4.39Å; I327-L338 HydrophobicContact CD1-CD2 3.93Å; I327-L338 HydrophobicContact CG2-CD1 4.43Å; I327-L347 HydrophobicContact CD1-CD1 4.29Å; I327-V349 HydrophobicContact CD1-CG2 3.58Å; I327-V349 HydrophobicContact CG1-CG2 3.8Å; I327-P350 PolarHBondContact N-O 2.95Å; I327-A351 HydrophobicContact CB-CB 4.02Å; I327-A351 CarbonylContact O-C 3.54Å; I327-A351 VanDerWaalsContact O-CA 3.29Å; I327-A351 WeakPolarHBondContact O-CA 3.05Å; I327-M352 PolarHBondContact O-N 3.08Å; I327-L545 WeakPolarHBondContact O-CD1 3.48Å
328	V	98.6	Very high	93.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.3	168.5	176.3	0	0	0	0	107.7	I302 L303 D304 M352 V354 Q538 A541 L542 L545	I302-V328 PolarHBondContact O-N 3.03Å; L303-V328 CarbonylContact C-O 3.53Å; L303-V328 WeakPolarHBondContact CA-O 3.39Å; L303-V328 HydrophobicContact CG-CB 4.48Å; L303-V328 HydrophobicContact CG-CG1 4.5Å; D304-V328 PolarHBondContact N-O 2.87Å; V328-M352 HydrophobicContact CG2-CB 4.48Å; V328-V354 HydrophobicContact CG1-CG2 3.63Å; V328-Q538 HydrophobicContact CG1-CB 4.26Å; V328-Q538 HydrophobicContact CG1-CG 4.19Å; V328-A541 HydrophobicContact CB-CB 4.5Å; V328-A541 HydrophobicContact CG1-CB 3.84Å; V328-A541 HydrophobicContact CG2-CB 3.77Å; V328-L542 HydrophobicContact CB-CD2 4.33Å; V328-L542 HydrophobicContact CG2-CD2 3.7Å; V328-L542 HydrophobicContact CG2-CG 3.89Å; V328-L545 HydrophobicContact CG2-CD1 3.9Å
329	E	97.9	Very high	93.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.3	-174.9	169.7	69.2	-129.1	0	0	111.6	D304 G306 G307 S331 G334 V335 L338 M352 V354	D304-E329 WeakPolarHBondContact O-CA 3.16Å; G306-E329 PolarHBondContact N-OE1 3.09Å; G307-E329 WeakPolarHBondContact CA-OE2 3.35Å; G307-E329 PolarHBondContact N-OE2 2.9Å; G307-E329 VanDerWaalsContact N-OE2 3.11Å; E329-S331 VanDerWaalsContact OE1-CB 3.27Å; E329-S331 WeakPolarHBondContact OE1-CB 3.48Å; E329-S331 PolarHBondContact OE1-N 2.85Å; E329-S331 PolarHBondContact OE1-OG 2.81Å; E329-G334 VanDerWaalsContact CD-CA 3.44Å; E329-G334 WeakPolarHBondContact OE2-CA 3.19Å; E329-V335 HydrophobicContact CB-CG2 4.4Å; E329-V335 HydrophobicContact CG-CG2 3.75Å; E329-L338 HydrophobicContact CB-CD1 3.58Å; E329-L338 HydrophobicContact CG-CD1 3.9Å; E329-M352 PolarHBondContact N-O 2.66Å; E329-V354 WeakPolarHBondContact O-CB 3.37Å; E329-V354 PolarHBondContact O-N 3.09Å
330	E	93.3	Very high	93.6	Very high	25 Å²	25	43.6 Å²	43.6	12%	0.117	20%	0.202	C	C	.	.			trans	-90.2	-28.2	-174	-159.5	-167.6	130.9	0	0	114.6	D304 D305 N355 K360 T534 Q538	D304-E330 PolarHBondContact O-N 3.43Å; D305-E330 HydrophobicContact CB-CB 4.25Å; E330-N355 VanDerWaalsContact O-CA 3.32Å; E330-N355 WeakPolarHBondContact O-CA 3.5Å; E330-N355 WeakPolarHBondContact O-CB 3.19Å; E330-N355 PolarHBondContact O-OD1 2.97Å; E330-K360 WeakPolarHBondContact OE1-CE 3.47Å; E330-K360 IonicContact OE1-NZ 2.71Å; E330-K360 PolarHBondContact OE1-NZ 3.33Å; E330-T534 HydrophobicContact CG-CG2 3.75Å; E330-Q538 PolarHBondContact OE2-NE2 2.94Å
331	S	88.9	Confident	93.5	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.028	21%	0.205	C	C	.	.	S	Bend	trans	-102.4	153.4	-163.1	78.9	0	0	0	0	114.4	D305 G306 E329 T333 G334 V335 H475	D305-S331 WeakPolarHBondContact OD1-CB 3.03Å; G306-S331 VanDerWaalsContact CA-OG 3.22Å; G306-S331 WeakPolarHBondContact CA-OG 3.33Å; G306-S331 PolarHBondContact N-OG 2.89Å; E329-S331 VanDerWaalsContact OE1-CB 3.27Å; E329-S331 WeakPolarHBondContact OE1-CB 3.48Å; E329-S331 PolarHBondContact OE1-N 2.85Å; E329-S331 PolarHBondContact OE1-OG 2.81Å; S331-T333 VanDerWaalsContact C-N 3.25Å; S331-T333 PolarHBondContact O-N 2.66Å; S331-T333 PolarHBondContact OG-N 2.8Å; S331-G334 PolarHBondContact OG-N 2.77Å; S331-V335 VanDerWaalsContact O-CB 3.22Å; S331-V335 WeakPolarHBondContact O-CB 3.32Å; S331-V335 WeakPolarHBondContact O-CG2 3.23Å; S331-V335 PolarHBondContact O-N 2.95Å; S331-H475 WeakPolarHBondContact CB-NE2 3.45Å
332	V	86.3	Confident	93.6	Very high	83 Å²	83	45.2 Å²	45.2	50%	0.503	21%	0.214	S	C	.	.	H	α-helix	trans	-56.6	-39.8	168.8	-177.1	0	0	0	0	111.5	H336 N355	V332-H336 WeakPolarHBondContact O-CB 3.38Å; V332-H336 PolarHBondContact O-N 3.44Å; V332-N355 WeakPolarHBondContact CG2-OD1 3.2Å; V332-N355 PolarHBondContact N-OD1 3.45Å
333	T	84.1	Confident	93.7	Very high	51 Å²	51	47.1 Å²	47.1	31%	0.313	22%	0.222	S	C	.	.	H	α-helix	trans	-70.4	-49.5	-174.8	-58	0	0	0	0	111.6	S331 H336 R337 H475	S331-T333 VanDerWaalsContact C-N 3.25Å; S331-T333 PolarHBondContact O-N 2.66Å; S331-T333 PolarHBondContact OG-N 2.8Å; T333-H336 PolarHBondContact O-N 3Å; T333-R337 VanDerWaalsContact O-CG 3.3Å; T333-R337 WeakPolarHBondContact O-CG 3.42Å; T333-R337 PolarHBondContact O-N 2.65Å; T333-H475 VanDerWaalsContact CB-NE2 3.33Å; T333-H475 WeakPolarHBondContact CB-NE2 3.46Å; T333-H475 PolarHBondContact OG1-CD2 3.34Å; T333-H475 PolarHBondContact OG1-NE2 2.6Å
334	G	90.3	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.3	-40.2	178.2	0	0	0	0	0	112.1	G306 E329 S331 H336 R337 L338	G306-G334 WeakPolarHBondContact O-CA 3.46Å; G306-G334 PolarHBondContact O-N 3.33Å; E329-G334 VanDerWaalsContact CD-CA 3.44Å; E329-G334 WeakPolarHBondContact OE2-CA 3.19Å; S331-G334 PolarHBondContact OG-N 2.77Å; G334-H336 VanDerWaalsContact C-N 3.29Å; G334-H336 PolarHBondContact O-N 2.77Å; G334-R337 WeakPolarHBondContact O-CB 3.41Å; G334-R337 PolarHBondContact O-N 3.37Å; G334-R337 VanDerWaalsContact O-N 3.17Å; G334-L338 WeakPolarHBondContact O-CB 3.42Å; G334-L338 WeakPolarHBondContact O-CG 3.3Å; G334-L338 PolarHBondContact O-N 3.26Å
335	V	94.3	Very high	93.7	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-58.3	-42.7	171	165.6	0	0	0	0	110.8	E329 S331 L338 Y339 N353 N355	E329-V335 HydrophobicContact CB-CG2 4.4Å; E329-V335 HydrophobicContact CG-CG2 3.75Å; S331-V335 VanDerWaalsContact O-CB 3.22Å; S331-V335 WeakPolarHBondContact O-CB 3.32Å; S331-V335 WeakPolarHBondContact O-CG2 3.23Å; S331-V335 PolarHBondContact O-N 2.95Å; V335-L338 PolarHBondContact O-N 2.83Å; V335-Y339 HydrophobicContact CG1-CD2 3.64Å; V335-Y339 HydrophobicContact CG1-CE2 3.41Å; V335-Y339 VanDerWaalsContact CG1-CE2 3.41Å; V335-Y339 VanDerWaalsContact O-CD2 3.25Å; V335-Y339 WeakPolarHBondContact O-CD2 3.26Å; V335-Y339 PolarHBondContact O-N 3.04Å; V335-N353 HydrophobicContact CG1-CB 4.42Å; V335-N353 WeakPolarHBondContact CG1-ND2 3.41Å; V335-N353 HydrophobicContact CG2-CB 4.06Å; V335-N353 WeakPolarHBondContact CG2-OD1 3.16Å; V335-N355 HydrophobicContact CG2-CB 3.94Å
336	H	91.1	Very high	93.5	Very high	110 Å²	110	48.1 Å²	48.1	51%	0.509	26%	0.257	S	S	.	.	H	α-helix	trans	-64.7	-43.3	176	-172.2	53.3	0	0	0	112.4	V332 T333 G334 L338 Y339 Q340	V332-H336 WeakPolarHBondContact O-CB 3.38Å; V332-H336 PolarHBondContact O-N 3.44Å; T333-H336 PolarHBondContact O-N 3Å; G334-H336 VanDerWaalsContact C-N 3.29Å; G334-H336 PolarHBondContact O-N 2.77Å; H336-L338 VanDerWaalsContact C-N 3.34Å; H336-L338 PolarHBondContact O-N 3.45Å; H336-Y339 PolarHBondContact O-N 2.97Å; H336-Q340 PolarHBondContact CD2-NE2 2.98Å; H336-Q340 PolarHBondContact NE2-NE2 3.42Å; H336-Q340 WeakPolarHBondContact O-CG 3.39Å; H336-Q340 PolarHBondContact O-N 3.29Å
337	R	91.8	Very high	93.3	Very high	78 Å²	78	48.3 Å²	48.3	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-59.2	-41.6	173.7	-70.1	160.1	164.7	-155.6	-3.7	111.6	G306 G307 D308 T333 G334 Q340 L341	G306-R337 WeakPolarHBondContact O-CD 3.49Å; G306-R337 VanDerWaalsContact O-CZ 3.3Å; G306-R337 PolarHBondContact O-NH1 3.24Å; G307-R337 VanDerWaalsContact C-NH1 3.31Å; G307-R337 PolarHBondContact O-NH1 3Å; D308-R337 VanDerWaalsContact CG-NH1 3.34Å; D308-R337 IonicContact OD1-CZ 3.53Å; D308-R337 VanDerWaalsContact OD1-CZ 3.27Å; D308-R337 IonicContact OD1-NH1 3.58Å; D308-R337 PolarHBondContact OD1-NH1 3.19Å; D308-R337 IonicContact OD1-NH2 3.61Å; D308-R337 PolarHBondContact OD1-NH2 3.22Å; D308-R337 IonicContact OD2-NH1 3.65Å; T333-R337 VanDerWaalsContact O-CG 3.3Å; T333-R337 WeakPolarHBondContact O-CG 3.42Å; T333-R337 PolarHBondContact O-N 2.65Å; G334-R337 WeakPolarHBondContact O-CB 3.41Å; G334-R337 PolarHBondContact O-N 3.37Å; G334-R337 VanDerWaalsContact O-N 3.17Å; R337-Q340 WeakPolarHBondContact O-CB 3.25Å; R337-Q340 PolarHBondContact O-N 2.82Å; R337-L341 PolarHBondContact O-N 3.49Å
338	L	96.6	Very high	92.9	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-64.6	-43.9	175.1	-74.3	168.2	0	0	0	112.2	T310 I327 E329 G334 V335 H336 Q340 L341 S342 L347 A351 V557	T310-L338 HydrophobicContact CG2-CD2 4.08Å; I327-L338 HydrophobicContact CD1-CD2 3.93Å; I327-L338 HydrophobicContact CG2-CD1 4.43Å; E329-L338 HydrophobicContact CB-CD1 3.58Å; E329-L338 HydrophobicContact CG-CD1 3.9Å; G334-L338 WeakPolarHBondContact O-CB 3.42Å; G334-L338 WeakPolarHBondContact O-CG 3.3Å; G334-L338 PolarHBondContact O-N 3.26Å; V335-L338 PolarHBondContact O-N 2.83Å; H336-L338 VanDerWaalsContact C-N 3.34Å; H336-L338 PolarHBondContact O-N 3.45Å; L338-Q340 VanDerWaalsContact C-N 3.3Å; L338-Q340 PolarHBondContact O-N 3.27Å; L338-L341 PolarHBondContact O-N 3.24Å; L338-L341 VanDerWaalsContact O-N 3.15Å; L338-S342 PolarHBondContact O-N 3.25Å; L338-L347 HydrophobicContact CD2-CD1 4.03Å; L338-A351 HydrophobicContact CD1-CB 3.9Å; L338-A351 HydrophobicContact CD2-CB 4.08Å; L338-V557 HydrophobicContact CB-CG2 3.78Å
339	Y	95.9	Very high	92.7	Very high	69 Å²	69	50.4 Å²	50.4	27%	0.271	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-32.6	173.8	-80.4	-57.1	0	0	0	112.8	V335 H336 K343 N353 V557	V335-Y339 HydrophobicContact CG1-CD2 3.64Å; V335-Y339 HydrophobicContact CG1-CE2 3.41Å; V335-Y339 VanDerWaalsContact CG1-CE2 3.41Å; V335-Y339 VanDerWaalsContact O-CD2 3.25Å; V335-Y339 WeakPolarHBondContact O-CD2 3.26Å; V335-Y339 PolarHBondContact O-N 3.04Å; H336-Y339 PolarHBondContact O-N 2.97Å; Y339-K343 WeakPolarHBondContact O-CB 3.38Å; Y339-K343 VanDerWaalsContact O-CG 3.24Å; Y339-K343 WeakPolarHBondContact O-CG 3.5Å; Y339-K343 PolarHBondContact O-N 3.45Å; Y339-N353 PolarHBondContact OH-ND2 2.91Å; Y339-V557 HydrophobicContact CD1-CB 3.9Å; Y339-V557 HydrophobicContact CD1-CG1 4.35Å; Y339-V557 HydrophobicContact CD1-CG2 4.01Å; Y339-V557 HydrophobicContact CE1-CB 3.53Å; Y339-V557 HydrophobicContact CE1-CG1 3.82Å; Y339-V557 HydrophobicContact CE1-CG2 4.18Å; Y339-V557 HydrophobicContact CE2-CG1 4.13Å; Y339-V557 HydrophobicContact CG-CG2 4.46Å
340	Q	93.6	Very high	92.7	Very high	107 Å²	107	51.4 Å²	51.4	50%	0.5	28%	0.278	S	S	.	.	H	α-helix	trans	-65.6	-42.3	171.3	-69	175.5	13.4	0	0	111.5	H336 R337 L338 A344	H336-Q340 PolarHBondContact CD2-NE2 2.98Å; H336-Q340 PolarHBondContact NE2-NE2 3.42Å; H336-Q340 WeakPolarHBondContact O-CG 3.39Å; H336-Q340 PolarHBondContact O-N 3.29Å; R337-Q340 WeakPolarHBondContact O-CB 3.25Å; R337-Q340 PolarHBondContact O-N 2.82Å; L338-Q340 VanDerWaalsContact C-N 3.3Å; L338-Q340 PolarHBondContact O-N 3.27Å; Q340-A344 VanDerWaalsContact O-CB 3.25Å; Q340-A344 WeakPolarHBondContact O-CB 3.41Å; Q340-A344 PolarHBondContact O-N 3.22Å; Q340-A344 VanDerWaalsContact O-N 3.09Å
341	L	93.7	Very high	92.9	Very high	29 Å²	29	50.2 Å²	50.2	15%	0.152	27%	0.273	C	S	.	.	H	α-helix	trans	-65.5	-42.5	176.2	-71.5	172.8	0	0	0	112.3	Y314 R337 L338 A344 G345 K346 L347	Y314-L341 HydrophobicContact CE1-CD2 4.06Å; Y314-L341 HydrophobicContact CE2-CD2 4.43Å; R337-L341 PolarHBondContact O-N 3.49Å; L338-L341 PolarHBondContact O-N 3.24Å; L338-L341 VanDerWaalsContact O-N 3.15Å; L341-A344 PolarHBondContact O-N 3.19Å; L341-G345 PolarHBondContact O-N 3.2Å; L341-K346 HydrophobicContact CD2-CB 3.94Å; L341-K346 WeakPolarHBondContact O-CA 3.34Å; L341-K346 PolarHBondContact O-N 3.38Å; L341-L347 HydrophobicContact CB-CB 3.94Å; L341-L347 PolarHBondContact O-N 2.86Å
342	S	95.6	Very high	93.3	Very high	26 Å²	26	50 Å²	50	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-55.2	174.7	162.7	0	0	0	0	111.1	L338 A344 G345 D556	L338-S342 PolarHBondContact O-N 3.25Å; S342-A344 PolarHBondContact O-N 2.97Å; S342-A344 VanDerWaalsContact O-N 3.09Å; S342-G345 PolarHBondContact O-N 3.16Å; S342-D556 WeakPolarHBondContact CB-OD1 3.29Å; S342-D556 PolarHBondContact OG-OD1 2.64Å
343	K	95	Very high	93.8	Very high	177 Å²	177	46 Å²	46	77%	0.77	25%	0.247	S	C	*	.	H	α-helix	trans	-59.3	-26	179.5	-72.4	173	-178.9	178.1	0	113.8	Y339	Y339-K343 WeakPolarHBondContact O-CB 3.38Å; Y339-K343 VanDerWaalsContact O-CG 3.24Å; Y339-K343 WeakPolarHBondContact O-CG 3.5Å; Y339-K343 PolarHBondContact O-N 3.45Å
344	A	94.9	Very high	94.4	Very high	55 Å²	55	43.6 Å²	43.6	46%	0.455	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.1	176.3	0	0	0	0	0	114.4	Q340 L341 S342 K346	Q340-A344 VanDerWaalsContact O-CB 3.25Å; Q340-A344 WeakPolarHBondContact O-CB 3.41Å; Q340-A344 PolarHBondContact O-N 3.22Å; Q340-A344 VanDerWaalsContact O-N 3.09Å; L341-A344 PolarHBondContact O-N 3.19Å; S342-A344 PolarHBondContact O-N 2.97Å; S342-A344 VanDerWaalsContact O-N 3.09Å; A344-K346 HydrophobicContact CB-CB 4.35Å; A344-K346 HydrophobicContact CB-CD 3.92Å; A344-K346 HydrophobicContact CB-CG 4.13Å; A344-K346 PolarHBondContact O-N 3.23Å
345	G	93.2	Very high	94.5	Very high	73 Å²	73	43.9 Å²	43.9	75%	0.753	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	26.1	-173.9	0	0	0	0	0	113.6	L341 S342	L341-G345 PolarHBondContact O-N 3.2Å; S342-G345 PolarHBondContact O-N 3.16Å
346	K	92.5	Very high	94.5	Very high	115 Å²	115	46.2 Å²	46.2	50%	0.5	25%	0.246	S	C	.	.			trans	-113.3	-15.4	-172	-73.7	175.4	-173.6	177.6	0	114.2	L341 A344 C348	L341-K346 HydrophobicContact CD2-CB 3.94Å; L341-K346 WeakPolarHBondContact O-CA 3.34Å; L341-K346 PolarHBondContact O-N 3.38Å; A344-K346 HydrophobicContact CB-CB 4.35Å; A344-K346 HydrophobicContact CB-CD 3.92Å; A344-K346 HydrophobicContact CB-CG 4.13Å; A344-K346 PolarHBondContact O-N 3.23Å; K346-C348 PolarHBondContact O-N 2.84Å; K346-C348 PolarHBondContact O-SG 2.77Å
347	L	93.9	Very high	94.6	Very high	5 Å²	5	41 Å²	41	3%	0.026	22%	0.222	C	C	.	.			trans	-67.9	126.4	167.2	-177.1	58.4	0	0	0	108.1	F321 I327 L338 L341 V349 V557	F321-L347 HydrophobicContact CZ-CD1 4.36Å; I327-L347 HydrophobicContact CD1-CD1 4.29Å; L338-L347 HydrophobicContact CD2-CD1 4.03Å; L341-L347 HydrophobicContact CB-CB 3.94Å; L341-L347 PolarHBondContact O-N 2.86Å; L347-V349 HydrophobicContact CD1-CG2 4.18Å; L347-V349 WeakPolarHBondContact CD1-O 3.1Å; L347-V349 WeakPolarHBondContact CG-O 3.26Å; L347-V557 HydrophobicContact CD2-CG2 3.93Å
348	C	90.4	Very high	94.7	Very high	39 Å²	39	38.9 Å²	38.9	26%	0.264	22%	0.218	S	C	.	.			trans	-105.2	-3.6	-174.9	-56.8	0	0	0	0	113.5	F321 K346 Q555	F321-C348 HydrophobicContact CD1-CB 3.93Å; F321-C348 HydrophobicContact CE1-CB 3.88Å; K346-C348 PolarHBondContact O-N 2.84Å; K346-C348 PolarHBondContact O-SG 2.77Å; C348-Q555 WeakPolarHBondContact O-CG 3.15Å; C348-Q555 PolarHBondContact O-NE2 3.29Å
349	V	93.8	Very high	94.5	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.024	22%	0.218	C	C	.	.	S	Bend	trans	-148	151.2	-165.8	-59.8	0	0	0	0	109	F321 I324 I327 L347	F321-V349 HydrophobicContact CE1-CG2 4.3Å; F321-V349 HydrophobicContact CE2-CG2 4.41Å; F321-V349 HydrophobicContact CZ-CG2 3.97Å; F321-V349 WeakPolarHBondContact O-CG1 3.41Å; I324-V349 HydrophobicContact CB-CG1 4.2Å; I324-V349 WeakPolarHBondContact O-CG1 3.32Å; I327-V349 HydrophobicContact CD1-CG2 3.58Å; I327-V349 HydrophobicContact CG1-CG2 3.8Å; L347-V349 HydrophobicContact CD1-CG2 4.18Å; L347-V349 WeakPolarHBondContact CD1-O 3.1Å; L347-V349 WeakPolarHBondContact CG-O 3.26Å
350	P	96.9	Very high	94.4	Very high	21 Å²	21	36.1 Å²	36.1	14%	0.136	21%	0.207	C	C	.	.			trans	-67.2	145.8	176.8	29.5	-35.7	0	0	0	111	K325 G326 I327 L545 K554	K325-P350 VanDerWaalsContact O-CD 3.32Å; K325-P350 WeakPolarHBondContact O-CD 3.38Å; K325-P350 WeakPolarHBondContact O-CG 3.19Å; G326-P350 CarbonylContact C-O 3.52Å; G326-P350 WeakPolarHBondContact CA-O 3.38Å; I327-P350 PolarHBondContact N-O 2.95Å; P350-L545 HydrophobicContact CB-CD2 4.21Å; P350-L545 HydrophobicContact CG-CD2 4.33Å; P350-K554 WeakPolarHBondContact CA-O 3.27Å; P350-K554 WeakPolarHBondContact CB-O 3.48Å
351	A	98	Very high	94.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.5	172.2	0	0	0	0	0	111.4	I327 L338 D556 V557 Y558	I327-A351 HydrophobicContact CB-CB 4.02Å; I327-A351 CarbonylContact O-C 3.54Å; I327-A351 VanDerWaalsContact O-CA 3.29Å; I327-A351 WeakPolarHBondContact O-CA 3.05Å; L338-A351 HydrophobicContact CD1-CB 3.9Å; L338-A351 HydrophobicContact CD2-CB 4.08Å; A351-D556 PolarHBondContact N-O 3.33Å; A351-V557 HydrophobicContact CB-CG2 4.39Å; A351-Y558 PolarHBondContact O-N 3Å
352	M	97.8	Very high	94.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118	168.9	-154.8	76.8	75.3	0	0	109.3	I327 V328 E329 V354 A541 E544 L545 Y558 L559 L560	I327-M352 PolarHBondContact O-N 3.08Å; V328-M352 HydrophobicContact CG2-CB 4.48Å; E329-M352 PolarHBondContact N-O 2.66Å; M352-V354 PolarHBondContact O-N 3.12Å; M352-A541 HydrophobicContact CB-CB 4.16Å; M352-A541 HydrophobicContact CG-CB 3.97Å; M352-E544 HydrophobicContact CE-CB 4.27Å; M352-E544 HydrophobicContact CE-CG 3.78Å; M352-L545 HydrophobicContact CB-CD1 3.98Å; M352-L545 HydrophobicContact CB-CG 4.45Å; M352-L545 HydrophobicContact CE-CD2 3.92Å; M352-L545 HydrophobicContact CE-CG 3.99Å; M352-Y558 WeakPolarHBondContact CA-O 3.44Å; M352-L559 VanDerWaalsContact SD-C 3.58Å; M352-L560 HydrophobicContact CE-CD1 4.13Å; M352-L560 HydrophobicContact CG-CB 4.38Å; M352-L560 HydrophobicContact CG-CD1 4.2Å; M352-L560 HydrophobicContact SD-CB 4.46Å; M352-L560 HydrophobicContact SD-CD1 4.31Å
353	N	97.2	Very high	94.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	99.6	169.2	172.3	-4.8	0	0	0	108.1	V335 Y339 N355 D356 S357 V557 Y558 L559	V335-N353 HydrophobicContact CG1-CB 4.42Å; V335-N353 WeakPolarHBondContact CG1-ND2 3.41Å; V335-N353 HydrophobicContact CG2-CB 4.06Å; V335-N353 WeakPolarHBondContact CG2-OD1 3.16Å; Y339-N353 PolarHBondContact OH-ND2 2.91Å; N353-N355 PolarHBondContact OD1-N 3.12Å; N353-D356 PolarHBondContact ND2-OD2 3.25Å; N353-D356 WeakPolarHBondContact OD1-CB 3.29Å; N353-D356 PolarHBondContact OD1-N 3.34Å; N353-S357 PolarHBondContact O-OG 3.03Å; N353-V557 HydrophobicContact CB-CG1 3.85Å; N353-Y558 WeakPolarHBondContact CB-O 3.41Å; N353-Y558 PolarHBondContact N-O 3.44Å; N353-L559 HydrophobicContact CB-CD2 4.25Å
354	V	95.9	Very high	94	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.168	C	C	.	.			trans	-83.7	-27.1	173.6	169.2	0	0	0	0	111	V328 E329 M352 D356 S357 K360 T537 Q538 A541	V328-V354 HydrophobicContact CG1-CG2 3.63Å; E329-V354 WeakPolarHBondContact O-CB 3.37Å; E329-V354 PolarHBondContact O-N 3.09Å; M352-V354 PolarHBondContact O-N 3.12Å; V354-D356 VanDerWaalsContact C-N 3.28Å; V354-D356 PolarHBondContact O-N 3.22Å; V354-S357 VanDerWaalsContact O-CB 3.27Å; V354-S357 WeakPolarHBondContact O-CB 3.07Å; V354-S357 PolarHBondContact O-N 2.91Å; V354-S357 PolarHBondContact O-OG 3.23Å; V354-K360 HydrophobicContact CG1-CB 4.43Å; V354-K360 HydrophobicContact CG1-CG 4.18Å; V354-K360 WeakPolarHBondContact O-CB 3.31Å; V354-T537 HydrophobicContact CG1-CG2 3.79Å; V354-T537 HydrophobicContact CG2-CG2 4.36Å; V354-Q538 HydrophobicContact CG1-CG 4.08Å; V354-A541 HydrophobicContact CG2-CB 3.85Å
355	N	93.4	Very high	93.8	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.027	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-47.1	175.7	-174.8	79.5	0	0	0	112.9	E330 V332 V335 N353 Q361	E330-N355 VanDerWaalsContact O-CA 3.32Å; E330-N355 WeakPolarHBondContact O-CA 3.5Å; E330-N355 WeakPolarHBondContact O-CB 3.19Å; E330-N355 PolarHBondContact O-OD1 2.97Å; V332-N355 WeakPolarHBondContact CG2-OD1 3.2Å; V332-N355 PolarHBondContact N-OD1 3.45Å; V335-N355 HydrophobicContact CG2-CB 3.94Å; N353-N355 PolarHBondContact OD1-N 3.12Å; N355-Q361 WeakPolarHBondContact O-CB 3.27Å
356	D	92.9	Very high	93.9	Very high	56 Å²	56	24.5 Å²	24.5	30%	0.299	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	10.4	-177	-58.5	-27	0	0	0	113	N353 V354 Q361 L559	N353-D356 PolarHBondContact ND2-OD2 3.25Å; N353-D356 WeakPolarHBondContact OD1-CB 3.29Å; N353-D356 PolarHBondContact OD1-N 3.34Å; V354-D356 VanDerWaalsContact C-N 3.28Å; V354-D356 PolarHBondContact O-N 3.22Å; D356-Q361 PolarHBondContact OD1-NE2 2.76Å; D356-L559 HydrophobicContact CB-CD2 3.65Å
357	S	93.7	Very high	94	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	11%	0.114	C	C	.	.	S	Bend	trans	-66.2	141.7	164	-63.2	0	0	0	0	109.1	N353 V354 T359 K360 Q361 L560	N353-S357 PolarHBondContact O-OG 3.03Å; V354-S357 VanDerWaalsContact O-CB 3.27Å; V354-S357 WeakPolarHBondContact O-CB 3.07Å; V354-S357 PolarHBondContact O-N 2.91Å; V354-S357 PolarHBondContact O-OG 3.23Å; S357-T359 PolarHBondContact O-N 2.75Å; S357-K360 PolarHBondContact O-N 2.97Å; S357-Q361 PolarHBondContact O-N 3.41Å; S357-Q361 VanDerWaalsContact O-N 3.12Å; S357-L560 WeakPolarHBondContact OG-CB 3.21Å
358	V	93.8	Very high	94	Very high	33 Å²	33	22.7 Å²	22.7	20%	0.2	11%	0.114	C	C	.	.	H	α-helix	trans	-56.9	-40.8	-174.3	151.4	0	0	0	0	111	K360 K362 D565 Y606	V358-K360 VanDerWaalsContact C-N 3.28Å; V358-K360 PolarHBondContact O-N 3.15Å; V358-K362 PolarHBondContact O-N 3.32Å; V358-D565 HydrophobicContact CB-CB 4.33Å; V358-D565 VanDerWaalsContact N-CG 3.31Å; V358-D565 PolarHBondContact N-OD1 2.87Å; V358-D565 VanDerWaalsContact N-OD1 3.16Å; V358-D565 PolarHBondContact N-OD2 3.35Å; V358-Y606 HydrophobicContact CB-CD1 4.11Å; V358-Y606 HydrophobicContact CB-CE1 3.86Å; V358-Y606 HydrophobicContact CG1-CD1 3.71Å; V358-Y606 HydrophobicContact CG1-CE1 3.9Å; V358-Y606 HydrophobicContact CG2-CD1 3.86Å; V358-Y606 HydrophobicContact CG2-CE1 3.7Å; V358-Y606 WeakPolarHBondContact O-CE1 3.38Å
359	T	92.6	Very high	94.2	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-69.8	-20.5	-179.8	51.9	0	0	0	0	114.1	S357 F363 I533 T537 D565 V568 A569	S357-T359 PolarHBondContact O-N 2.75Å; T359-F363 WeakPolarHBondContact O-CB 3.08Å; T359-F363 VanDerWaalsContact O-CD2 3.27Å; T359-F363 WeakPolarHBondContact O-CD2 3.44Å; T359-I533 HydrophobicContact CG2-CG2 4.31Å; T359-I533 WeakPolarHBondContact O-CG2 3.28Å; T359-T537 WeakPolarHBondContact OG1-CG2 3.42Å; T359-T537 PolarHBondContact OG1-OG1 3.23Å; T359-D565 WeakPolarHBondContact CB-OD1 3.5Å; T359-D565 HydrophobicContact CG2-CB 4.33Å; T359-D565 WeakPolarHBondContact CG2-O 3.28Å; T359-D565 WeakPolarHBondContact CG2-OD1 3.04Å; T359-D565 PolarHBondContact N-OD1 3.47Å; T359-D565 PolarHBondContact OG1-OD1 3.03Å; T359-V568 HydrophobicContact CG2-CB 3.88Å; T359-V568 HydrophobicContact CG2-CG1 3.8Å; T359-A569 HydrophobicContact CG2-CB 4.47Å
360	K	93.2	Very high	94.3	Very high	12 Å²	12	25.2 Å²	25.2	5%	0.052	12%	0.118	C	C	.	.	H	α-helix	trans	-87.4	-62.1	175.1	-150.8	-77.4	173.1	168.9	0	110.9	E330 V354 S357 V358 K362 F363 D364 N365 T534	E330-K360 WeakPolarHBondContact OE1-CE 3.47Å; E330-K360 IonicContact OE1-NZ 2.71Å; E330-K360 PolarHBondContact OE1-NZ 3.33Å; V354-K360 HydrophobicContact CG1-CB 4.43Å; V354-K360 HydrophobicContact CG1-CG 4.18Å; V354-K360 WeakPolarHBondContact O-CB 3.31Å; S357-K360 PolarHBondContact O-N 2.97Å; V358-K360 VanDerWaalsContact C-N 3.28Å; V358-K360 PolarHBondContact O-N 3.15Å; K360-K362 VanDerWaalsContact C-N 3.33Å; K360-K362 PolarHBondContact O-N 3.47Å; K360-F363 PolarHBondContact O-N 2.73Å; K360-D364 HydrophobicContact CD-CB 3.9Å; K360-D364 WeakPolarHBondContact CE-OD2 3.41Å; K360-D364 HydrophobicContact CG-CB 4.46Å; K360-D364 IonicContact NZ-OD2 2.8Å; K360-D364 VanDerWaalsContact O-CB 3.26Å; K360-D364 WeakPolarHBondContact O-CB 3.44Å; K360-D364 PolarHBondContact O-N 2.86Å; K360-N365 PolarHBondContact NZ-OD1 2.79Å; K360-T534 HydrophobicContact CG-CG2 3.89Å
361	Q	90.8	Very high	94.2	Very high	50 Å²	50	28.3 Å²	28.3	23%	0.234	13%	0.131	C	C	.	.	H	α-helix	trans	-65.3	-26	-167.6	173.3	179.2	109.6	0	0	114.8	N355 D356 S357 E397 Y606	N355-Q361 WeakPolarHBondContact O-CB 3.27Å; D356-Q361 PolarHBondContact OD1-NE2 2.76Å; S357-Q361 PolarHBondContact O-N 3.41Å; S357-Q361 VanDerWaalsContact O-N 3.12Å; Q361-E397 HydrophobicContact CG-CG 4.04Å; Q361-Y606 VanDerWaalsContact CB-OH 3.26Å; Q361-Y606 WeakPolarHBondContact CB-OH 3.17Å; Q361-Y606 VanDerWaalsContact CG-OH 3.27Å; Q361-Y606 WeakPolarHBondContact CG-OH 3.43Å; Q361-Y606 PolarHBondContact OE1-OH 3.18Å
362	K	93.1	Very high	94.1	Very high	47 Å²	47	28.3 Å²	28.3	20%	0.204	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-5.2	176	-76.7	-67.7	176.8	177.9	0	116.2	V358 K360 L366 Y367 E397 Y606	V358-K362 PolarHBondContact O-N 3.32Å; K360-K362 VanDerWaalsContact C-N 3.33Å; K360-K362 PolarHBondContact O-N 3.47Å; K362-L366 HydrophobicContact CD-CD2 3.99Å; K362-L366 WeakPolarHBondContact O-CB 3.24Å; K362-Y367 WeakPolarHBondContact O-CE2 3.12Å; K362-E397 WeakPolarHBondContact CD-OE2 3.49Å; K362-E397 WeakPolarHBondContact CE-OE2 3.45Å; K362-E397 IonicContact NZ-OE1 3.39Å; K362-E397 PolarHBondContact NZ-OE1 3.38Å; K362-E397 IonicContact NZ-OE2 3.49Å; K362-E397 PolarHBondContact NZ-OE2 3.03Å; K362-Y606 HydrophobicContact CB-CD1 3.86Å; K362-Y606 HydrophobicContact CB-CE1 3.72Å; K362-Y606 HydrophobicContact CD-CD1 4.42Å; K362-Y606 HydrophobicContact CD-CD2 4.33Å; K362-Y606 HydrophobicContact CD-CE1 4.4Å; K362-Y606 HydrophobicContact CD-CE2 4.36Å; K362-Y606 HydrophobicContact CD-CG 4.4Å; K362-Y606 VanDerWaalsContact CE-CD2 3.47Å; K362-Y606 HydrophobicContact CG-CD1 3.22Å; K362-Y606 HydrophobicContact CG-CD2 3.85Å; K362-Y606 HydrophobicContact CG-CE1 3.11Å; K362-Y606 HydrophobicContact CG-CE2 3.8Å; K362-Y606 HydrophobicContact CG-CG 3.6Å; K362-Y606 VanDerWaalsContact CG-CZ 3.46Å
363	F	94.1	Very high	94	Very high	61 Å²	61	28.3 Å²	28.3	27%	0.268	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-54.3	177.5	-62.9	-99.3	0	0	0	110	T359 K360 Y367 C368 V530 I533	T359-F363 WeakPolarHBondContact O-CB 3.08Å; T359-F363 VanDerWaalsContact O-CD2 3.27Å; T359-F363 WeakPolarHBondContact O-CD2 3.44Å; K360-F363 PolarHBondContact O-N 2.73Å; F363-Y367 HydrophobicContact CB-CD2 4.26Å; F363-Y367 AromaticContact CD1-CD2 3.86Å; F363-Y367 HydrophobicContact CD1-CD2 3.86Å; F363-Y367 AromaticContact CD1-CE2 3.74Å; F363-Y367 HydrophobicContact CD1-CE2 3.74Å; F363-Y367 HydrophobicContact CE1-CE2 4.07Å; F363-Y367 HydrophobicContact CG-CD2 4.3Å; F363-Y367 HydrophobicContact CG-CE2 4.3Å; F363-Y367 WeakPolarHBondContact O-CA 3.44Å; F363-Y367 VanDerWaalsContact O-CB 3.23Å; F363-Y367 WeakPolarHBondContact O-CB 3.46Å; F363-Y367 PolarHBondContact O-N 2.98Å; F363-C368 PolarHBondContact O-N 3.09Å; F363-V530 VanDerWaalsContact C-CG1 3.42Å; F363-V530 HydrophobicContact CB-CG1 4.34Å; F363-V530 VanDerWaalsContact O-CG1 3.26Å; F363-V530 WeakPolarHBondContact O-CG1 3.45Å; F363-I533 HydrophobicContact CB-CD1 3.92Å; F363-I533 HydrophobicContact CB-CG2 4.41Å; F363-I533 HydrophobicContact CD1-CD1 3.48Å; F363-I533 VanDerWaalsContact CD1-CD1 3.48Å; F363-I533 HydrophobicContact CE1-CD1 4.19Å; F363-I533 HydrophobicContact CG-CD1 3.81Å; F363-I533 HydrophobicContact CG-CG2 4.41Å
364	D	92.2	Very high	94	Very high	14 Å²	14	30.1 Å²	30.1	8%	0.075	14%	0.14	C	C	.	.	I	π-helix	trans	-67	-72.3	177.8	-160.2	-34.9	0	0	0	111	K360 L366 C368 V530 T534	K360-D364 HydrophobicContact CD-CB 3.9Å; K360-D364 WeakPolarHBondContact CE-OD2 3.41Å; K360-D364 HydrophobicContact CG-CB 4.46Å; K360-D364 IonicContact NZ-OD2 2.8Å; K360-D364 VanDerWaalsContact O-CB 3.26Å; K360-D364 WeakPolarHBondContact O-CB 3.44Å; K360-D364 PolarHBondContact O-N 2.86Å; D364-L366 PolarHBondContact O-N 2.71Å; D364-C368 WeakPolarHBondContact O-CB 3.44Å; D364-C368 PolarHBondContact O-N 3.39Å; D364-C368 VanDerWaalsContact O-N 3.12Å; D364-V530 VanDerWaalsContact CA-CG1 3.47Å; D364-V530 HydrophobicContact CB-CG1 4.26Å; D364-T534 PolarHBondContact OD2-OG1 2.87Å
365	N	90.6	Very high	94	Very high	23 Å²	23	32.2 Å²	32.2	12%	0.123	15%	0.151	C	C	.	.	I	π-helix	trans	-60.8	-15.1	-173.9	-53.6	-4.2	0	0	0	113.2	K360 E397 V398	K360-N365 PolarHBondContact NZ-OD1 2.79Å; N365-E397 HydrophobicContact CB-CB 4.05Å; N365-E397 CarbonylContact O-C 3.57Å; N365-V398 HydrophobicContact CB-CG2 4.29Å; N365-V398 WeakPolarHBondContact O-CA 3.48Å; N365-V398 PolarHBondContact O-N 3.4Å
366	L	94.9	Very high	94.1	Very high	27 Å²	27	32 Å²	32	14%	0.141	15%	0.15	C	C	.	.	I	π-helix	trans	-105.3	-60.6	177.9	-177.6	62.8	0	0	0	113.2	K362 D364 R370 E397 K400 G401	K362-L366 HydrophobicContact CD-CD2 3.99Å; K362-L366 WeakPolarHBondContact O-CB 3.24Å; D364-L366 PolarHBondContact O-N 2.71Å; L366-R370 WeakPolarHBondContact O-CB 3.47Å; L366-R370 PolarHBondContact O-N 2.99Å; L366-E397 HydrophobicContact CB-CB 4.3Å; L366-E397 WeakPolarHBondContact CD1-O 3.34Å; L366-K400 HydrophobicContact CD1-CB 3.72Å; L366-G401 WeakPolarHBondContact O-CA 3.21Å
367	Y	95.5	Very high	94.2	Very high	80 Å²	80	29.3 Å²	29.3	31%	0.314	14%	0.136	S	C	.	.	I	π-helix	trans	-83	-37	-171.9	-53.9	-38.6	0	0	0	112.9	K362 F363 C369 R370 E371	K362-Y367 WeakPolarHBondContact O-CE2 3.12Å; F363-Y367 HydrophobicContact CB-CD2 4.26Å; F363-Y367 AromaticContact CD1-CD2 3.86Å; F363-Y367 HydrophobicContact CD1-CD2 3.86Å; F363-Y367 AromaticContact CD1-CE2 3.74Å; F363-Y367 HydrophobicContact CD1-CE2 3.74Å; F363-Y367 HydrophobicContact CE1-CE2 4.07Å; F363-Y367 HydrophobicContact CG-CD2 4.3Å; F363-Y367 HydrophobicContact CG-CE2 4.3Å; F363-Y367 WeakPolarHBondContact O-CA 3.44Å; F363-Y367 VanDerWaalsContact O-CB 3.23Å; F363-Y367 WeakPolarHBondContact O-CB 3.46Å; F363-Y367 PolarHBondContact O-N 2.98Å; Y367-C369 VanDerWaalsContact C-N 3.32Å; Y367-C369 PolarHBondContact O-N 3.34Å; Y367-R370 VanDerWaalsContact CD1-NH1 3.28Å; Y367-R370 WeakPolarHBondContact O-CB 3.41Å; Y367-R370 PolarHBondContact O-N 3.23Å; Y367-E371 PolarHBondContact O-N 3Å
368	C	93.4	Very high	94.3	Very high	2 Å²	2	33 Å²	33	1%	0.014	15%	0.152	C	C	.	.	I	π-helix	trans	-59.1	-46.8	171.4	178	0	0	0	0	110.3	F363 D364 R370 E371 S372 V526 V530	F363-C368 PolarHBondContact O-N 3.09Å; D364-C368 WeakPolarHBondContact O-CB 3.44Å; D364-C368 PolarHBondContact O-N 3.39Å; D364-C368 VanDerWaalsContact O-N 3.12Å; C368-R370 VanDerWaalsContact C-N 3.35Å; C368-R370 PolarHBondContact O-N 2.95Å; C368-E371 PolarHBondContact O-N 3.09Å; C368-S372 WeakPolarHBondContact O-CB 3.46Å; C368-S372 PolarHBondContact O-N 3.05Å; C368-S372 PolarHBondContact O-OG 2.81Å; C368-V526 WeakPolarHBondContact SG-CG1 3.2Å; C368-V530 HydrophobicContact CB-CB 4.49Å; C368-V530 HydrophobicContact CB-CG1 3.9Å
369	C	93.8	Very high	94.3	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.034	17%	0.166	C	C	.	.	H	α-helix	trans	-65.9	-32.5	177.8	-63	0	0	0	0	113.6	Y367 E371 I373 V398 M473	Y367-C369 VanDerWaalsContact C-N 3.32Å; Y367-C369 PolarHBondContact O-N 3.34Å; C369-E371 VanDerWaalsContact C-N 3.31Å; C369-E371 PolarHBondContact O-N 3.39Å; C369-I373 WeakPolarHBondContact O-CB 3.32Å; C369-I373 VanDerWaalsContact O-CG2 3.24Å; C369-I373 WeakPolarHBondContact O-CG2 3.39Å; C369-I373 PolarHBondContact O-N 3.39Å; C369-V398 HydrophobicContact CB-CG1 4.17Å; C369-M473 HydrophobicContact CB-CE 3.81Å
370	R	96.3	Very high	94.4	Very high	92 Å²	92	38 Å²	38	35%	0.347	17%	0.168	S	C	.	.	H	α-helix	trans	-62.9	-33.9	174.6	-175.4	-172.8	65.7	-167.1	-3.6	112.8	L366 Y367 C368 G401 A405	L366-R370 WeakPolarHBondContact O-CB 3.47Å; L366-R370 PolarHBondContact O-N 2.99Å; Y367-R370 VanDerWaalsContact CD1-NH1 3.28Å; Y367-R370 WeakPolarHBondContact O-CB 3.41Å; Y367-R370 PolarHBondContact O-N 3.23Å; C368-R370 VanDerWaalsContact C-N 3.35Å; C368-R370 PolarHBondContact O-N 2.95Å; R370-G401 WeakPolarHBondContact CA-O 3.24Å; R370-A405 HydrophobicContact CG-CB 3.92Å; R370-A405 WeakPolarHBondContact O-CB 3.48Å
371	E	95.5	Very high	94.4	Very high	85 Å²	85	38.9 Å²	38.9	40%	0.397	17%	0.174	S	C	.	.	H	α-helix	trans	-93.6	-47.8	-178.4	-74.4	158.9	-137.8	0	0	111.7	Y367 C368 C369 I373 L374 D375 P527	Y367-E371 PolarHBondContact O-N 3Å; C368-E371 PolarHBondContact O-N 3.09Å; C369-E371 VanDerWaalsContact C-N 3.31Å; C369-E371 PolarHBondContact O-N 3.39Å; E371-I373 VanDerWaalsContact C-N 3.29Å; E371-I373 PolarHBondContact O-N 2.78Å; E371-L374 PolarHBondContact O-N 3.49Å; E371-L374 VanDerWaalsContact O-N 3.09Å; E371-D375 PolarHBondContact O-N 3.26Å; E371-P527 HydrophobicContact CB-CG 4.08Å; E371-P527 WeakPolarHBondContact OE2-CG 3.39Å
372	S	95	Very high	94.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	19%	0.188	C	C	.	.	H	α-helix	trans	-66.6	-21.4	-177.3	58.3	0	0	0	0	115	C368 L374 G376 N520 S524	C368-S372 WeakPolarHBondContact O-CB 3.46Å; C368-S372 PolarHBondContact O-N 3.05Å; C368-S372 PolarHBondContact O-OG 2.81Å; S372-L374 VanDerWaalsContact C-N 3.34Å; S372-G376 WeakPolarHBondContact O-CA 3.12Å; S372-G376 PolarHBondContact O-N 3.12Å; S372-N520 VanDerWaalsContact OG-CB 3.25Å; S372-N520 WeakPolarHBondContact OG-CB 3.46Å; S372-S524 WeakPolarHBondContact CA-OG 3.26Å; S372-S524 WeakPolarHBondContact CB-OG 3.18Å; S372-S524 PolarHBondContact O-OG 3.47Å
373	I	97	Very high	94.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.8	-37.7	171.3	-171.3	50.5	0	0	0	112	C369 E371 L377 C402 A405 L406 I447 M473 L519	C369-I373 WeakPolarHBondContact O-CB 3.32Å; C369-I373 VanDerWaalsContact O-CG2 3.24Å; C369-I373 WeakPolarHBondContact O-CG2 3.39Å; C369-I373 PolarHBondContact O-N 3.39Å; E371-I373 VanDerWaalsContact C-N 3.29Å; E371-I373 PolarHBondContact O-N 2.78Å; I373-L377 HydrophobicContact CD1-CD1 3.78Å; I373-L377 HydrophobicContact CD1-CG 4.02Å; I373-L377 HydrophobicContact CG1-CD1 4Å; I373-L377 VanDerWaalsContact O-CB 3.29Å; I373-L377 WeakPolarHBondContact O-CB 3.39Å; I373-L377 WeakPolarHBondContact O-CD1 3.37Å; I373-L377 VanDerWaalsContact O-CG 3.26Å; I373-L377 WeakPolarHBondContact O-CG 3.47Å; I373-L377 PolarHBondContact O-N 3.32Å; I373-L377 VanDerWaalsContact O-N 3.1Å; I373-C402 HydrophobicContact CG1-CB 4.45Å; I373-A405 HydrophobicContact CG2-CB 3.83Å; I373-L406 HydrophobicContact CG1-CD1 4.25Å; I373-I447 HydrophobicContact CD1-CD1 4.01Å; I373-I447 HydrophobicContact CD1-CG2 4.25Å; I373-I447 HydrophobicContact CG1-CD1 4.23Å; I373-M473 HydrophobicContact CB-CE 4.17Å; I373-M473 HydrophobicContact CB-SD 4.47Å; I373-M473 HydrophobicContact CD1-CG 3.82Å; I373-M473 HydrophobicContact CD1-SD 3.99Å; I373-L519 HydrophobicContact CD1-CD2 3.72Å
374	L	96.6	Very high	94.9	Very high	37 Å²	37	43.4 Å²	43.4	19%	0.194	20%	0.203	C	C	.	.	H	α-helix	trans	-75.8	-44.9	-178	-60.2	-177	0	0	0	110.3	E371 S372 K378 F385 A405 L406 M409	E371-L374 PolarHBondContact O-N 3.49Å; E371-L374 VanDerWaalsContact O-N 3.09Å; S372-L374 VanDerWaalsContact C-N 3.34Å; L374-K378 VanDerWaalsContact O-CB 3.26Å; L374-K378 WeakPolarHBondContact O-CB 3.46Å; L374-K378 VanDerWaalsContact O-CG 3.3Å; L374-K378 WeakPolarHBondContact O-CG 3.39Å; L374-K378 PolarHBondContact O-N 3.25Å; L374-F385 HydrophobicContact CB-CE2 4.3Å; L374-F385 HydrophobicContact CB-CZ 4.42Å; L374-F385 HydrophobicContact CD2-CD2 4.25Å; L374-F385 HydrophobicContact CD2-CE2 3.85Å; L374-F385 HydrophobicContact CD2-CZ 4.02Å; L374-A405 HydrophobicContact CD1-CB 4.06Å; L374-A405 HydrophobicContact CD2-CB 4.12Å; L374-A405 HydrophobicContact CG-CB 3.98Å; L374-L406 HydrophobicContact CD2-CD2 3.86Å; L374-L406 HydrophobicContact CD2-CG 4.3Å; L374-M409 HydrophobicContact CD1-CG 3.7Å; L374-M409 HydrophobicContact CD1-SD 4.35Å; L374-M409 HydrophobicContact CD2-CG 3.89Å; L374-M409 HydrophobicContact CG-CG 4.46Å
375	D	95.6	Very high	95.2	Very high	44 Å²	44	43.1 Å²	43.1	24%	0.235	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-50.2	176	-177.4	40.9	0	0	0	111.2	E371 L377 K378 R379 S524 T525	E371-D375 PolarHBondContact O-N 3.26Å; D375-L377 PolarHBondContact O-N 3.17Å; D375-K378 PolarHBondContact O-N 3.16Å; D375-K378 VanDerWaalsContact O-N 3.07Å; D375-R379 VanDerWaalsContact CG-NE 3.29Å; D375-R379 VanDerWaalsContact CG-NH2 3.35Å; D375-R379 WeakPolarHBondContact O-CG 3.26Å; D375-R379 PolarHBondContact O-N 2.68Å; D375-R379 IonicContact OD1-CZ 3.23Å; D375-R379 IonicContact OD1-NE 3.65Å; D375-R379 PolarHBondContact OD1-NE 3.25Å; D375-R379 IonicContact OD1-NH2 2.74Å; D375-R379 PolarHBondContact OD1-NH2 3.43Å; D375-R379 IonicContact OD2-CZ 3.45Å; D375-R379 IonicContact OD2-NE 2.61Å; D375-R379 PolarHBondContact OD2-NE 3.06Å; D375-R379 VanDerWaalsContact OD2-NE 3.15Å; D375-R379 IonicContact OD2-NH2 3.42Å; D375-R379 PolarHBondContact OD2-NH2 3.42Å; D375-S524 WeakPolarHBondContact CB-OG 3.37Å; D375-S524 PolarHBondContact OD2-OG 3.36Å; D375-T525 PolarHBondContact OD2-N 3.42Å; D375-T525 PolarHBondContact OD2-OG1 3.29Å
376	G	94.8	Very high	95.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-42.7	178	0	0	0	0	0	114.3	S372 T380 S524	S372-G376 WeakPolarHBondContact O-CA 3.12Å; S372-G376 PolarHBondContact O-N 3.12Å; G376-T380 WeakPolarHBondContact O-CB 3.39Å; G376-T380 WeakPolarHBondContact O-CG2 3.42Å; G376-T380 PolarHBondContact O-N 2.94Å; G376-T380 PolarHBondContact O-OG1 3.4Å; G376-S524 PolarHBondContact N-OG 3.29Å
377	L	96.6	Very high	95.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.8	-34.8	173.4	-74.5	170.8	0	0	0	112.1	I373 D375 T380 T381 F385 L406 I445 I447 I469 L513 L519	I373-L377 HydrophobicContact CD1-CD1 3.78Å; I373-L377 HydrophobicContact CD1-CG 4.02Å; I373-L377 HydrophobicContact CG1-CD1 4Å; I373-L377 VanDerWaalsContact O-CB 3.29Å; I373-L377 WeakPolarHBondContact O-CB 3.39Å; I373-L377 WeakPolarHBondContact O-CD1 3.37Å; I373-L377 VanDerWaalsContact O-CG 3.26Å; I373-L377 WeakPolarHBondContact O-CG 3.47Å; I373-L377 PolarHBondContact O-N 3.32Å; I373-L377 VanDerWaalsContact O-N 3.1Å; D375-L377 PolarHBondContact O-N 3.17Å; L377-T380 PolarHBondContact O-OG1 3.42Å; L377-T381 PolarHBondContact O-N 3.04Å; L377-T381 VanDerWaalsContact O-N 3.09Å; L377-T381 PolarHBondContact O-OG1 3.4Å; L377-F385 HydrophobicContact CB-CE1 3.77Å; L377-F385 HydrophobicContact CB-CZ 3.96Å; L377-F385 HydrophobicContact CD1-CE1 3.87Å; L377-F385 HydrophobicContact CG-CE1 4.48Å; L377-L406 HydrophobicContact CD1-CD2 4.14Å; L377-I445 HydrophobicContact CD1-CD1 4.4Å; L377-I445 HydrophobicContact CD2-CG2 4.29Å; L377-I447 HydrophobicContact CD1-CD1 4.48Å; L377-I469 HydrophobicContact CD2-CG2 4.07Å; L377-L513 HydrophobicContact CD2-CD1 3.87Å; L377-L519 HydrophobicContact CD2-CD2 4.34Å; L377-L519 HydrophobicContact CG-CD2 4.13Å
378	K	95.4	Very high	95.8	Very high	80 Å²	80	43.1 Å²	43.1	35%	0.348	22%	0.224	S	C	.	.	H	α-helix	trans	-69	-54.4	178.5	-84	-53.4	-159	178.3	0	112.6	L374 D375 T380 T381 D382 V383 F385	L374-K378 VanDerWaalsContact O-CB 3.26Å; L374-K378 WeakPolarHBondContact O-CB 3.46Å; L374-K378 VanDerWaalsContact O-CG 3.3Å; L374-K378 WeakPolarHBondContact O-CG 3.39Å; L374-K378 PolarHBondContact O-N 3.25Å; D375-K378 PolarHBondContact O-N 3.16Å; D375-K378 VanDerWaalsContact O-N 3.07Å; K378-T380 PolarHBondContact O-N 2.87Å; K378-T381 PolarHBondContact O-N 3.39Å; K378-D382 PolarHBondContact NZ-O 3.28Å; K378-D382 WeakPolarHBondContact O-CA 3.26Å; K378-D382 PolarHBondContact O-N 3.33Å; K378-V383 WeakPolarHBondContact CE-O 3.27Å; K378-V383 PolarHBondContact NZ-O 3.44Å; K378-F385 HydrophobicContact CD-CE2 4.14Å; K378-F385 HydrophobicContact CD-CZ 4.14Å; K378-F385 HydrophobicContact CG-CE2 3.92Å; K378-F385 HydrophobicContact CG-CZ 3.88Å
379	R	93.1	Very high	96.1	Very high	130 Å²	130	45.1 Å²	45.1	49%	0.491	23%	0.233	S	C	.	.	H	α-helix	trans	-57.6	-35.3	-178.5	-65.9	-172.8	-164.8	-161.9	8.7	112.7	D375 T525	D375-R379 VanDerWaalsContact CG-NE 3.29Å; D375-R379 VanDerWaalsContact CG-NH2 3.35Å; D375-R379 WeakPolarHBondContact O-CG 3.26Å; D375-R379 PolarHBondContact O-N 2.68Å; D375-R379 IonicContact OD1-CZ 3.23Å; D375-R379 IonicContact OD1-NE 3.65Å; D375-R379 PolarHBondContact OD1-NE 3.25Å; D375-R379 IonicContact OD1-NH2 2.74Å; D375-R379 PolarHBondContact OD1-NH2 3.43Å; D375-R379 IonicContact OD2-CZ 3.45Å; D375-R379 IonicContact OD2-NE 2.61Å; D375-R379 PolarHBondContact OD2-NE 3.06Å; D375-R379 VanDerWaalsContact OD2-NE 3.15Å; D375-R379 IonicContact OD2-NH2 3.42Å; D375-R379 PolarHBondContact OD2-NH2 3.42Å; R379-T525 PolarHBondContact NH2-OG1 3.02Å
380	T	94.3	Very high	96.3	Very high	8 Å²	8	44.9 Å²	44.9	5%	0.049	23%	0.231	C	C	.	.	H	α-helix	trans	-80.4	-46.4	-178.4	50.1	0	0	0	0	113.5	G376 L377 K378 R496 V499 L513 C523	G376-T380 WeakPolarHBondContact O-CB 3.39Å; G376-T380 WeakPolarHBondContact O-CG2 3.42Å; G376-T380 PolarHBondContact O-N 2.94Å; G376-T380 PolarHBondContact O-OG1 3.4Å; L377-T380 PolarHBondContact O-OG1 3.42Å; K378-T380 PolarHBondContact O-N 2.87Å; T380-R496 PolarHBondContact O-NH1 3.01Å; T380-V499 HydrophobicContact CG2-CG2 3.78Å; T380-L513 HydrophobicContact CG2-CD1 4.39Å; T380-L513 HydrophobicContact CG2-CD2 4.26Å; T380-L513 WeakPolarHBondContact OG1-CD1 3.28Å; T380-C523 HydrophobicContact CG2-CB 3.59Å
381	T	94.9	Very high	96.4	Very high	31 Å²	31	40.5 Å²	40.5	19%	0.19	22%	0.215	C	C	.	.	H	α-helix	trans	-122.9	-7.1	-165.1	69.4	0	0	0	0	115.9	L377 K378 V383 I469 V511 L513	L377-T381 PolarHBondContact O-N 3.04Å; L377-T381 VanDerWaalsContact O-N 3.09Å; L377-T381 PolarHBondContact O-OG1 3.4Å; K378-T381 PolarHBondContact O-N 3.39Å; T381-V383 PolarHBondContact O-N 2.98Å; T381-V383 WeakPolarHBondContact OG1-CB 3.29Å; T381-V383 VanDerWaalsContact OG1-CG1 3.28Å; T381-V383 WeakPolarHBondContact OG1-CG1 3.48Å; T381-V383 PolarHBondContact OG1-N 3.5Å; T381-I469 HydrophobicContact CG2-CD1 3.93Å; T381-I469 HydrophobicContact CG2-CG1 4.25Å; T381-I469 HydrophobicContact CG2-CG2 4.23Å; T381-V511 HydrophobicContact CG2-CG1 4.27Å; T381-L513 HydrophobicContact CG2-CD1 4.21Å; T381-L513 HydrophobicContact CG2-CD2 3.88Å
382	D	95	Very high	96.6	Very high	96 Å²	96	36.5 Å²	36.5	51%	0.513	20%	0.196	S	C	.	.			trans	57.5	0.9	-172.6	-57.3	-69	0	0	0	115.5	K378 R496	K378-D382 PolarHBondContact NZ-O 3.28Å; K378-D382 WeakPolarHBondContact O-CA 3.26Å; K378-D382 PolarHBondContact O-N 3.33Å; D382-R496 IonicContact OD2-CZ 3.58Å; D382-R496 VanDerWaalsContact OD2-CZ 3.22Å; D382-R496 IonicContact OD2-NH1 3.86Å; D382-R496 PolarHBondContact OD2-NH1 3.05Å; D382-R496 IonicContact OD2-NH2 2.7Å; D382-R496 PolarHBondContact OD2-NH2 3.3Å
383	V	95.4	Very high	96.8	Very high	23 Å²	23	36.4 Å²	36.4	14%	0.139	20%	0.196	C	C	.	.			trans	-56.3	138.5	-159.6	70.9	0	0	0	0	114.2	K378 T381 F385 I445 I469	K378-V383 WeakPolarHBondContact CE-O 3.27Å; K378-V383 PolarHBondContact NZ-O 3.44Å; T381-V383 PolarHBondContact O-N 2.98Å; T381-V383 WeakPolarHBondContact OG1-CB 3.29Å; T381-V383 VanDerWaalsContact OG1-CG1 3.28Å; T381-V383 WeakPolarHBondContact OG1-CG1 3.48Å; T381-V383 PolarHBondContact OG1-N 3.5Å; V383-F385 HydrophobicContact CG1-CD1 4.06Å; V383-F385 HydrophobicContact CG1-CE1 3.8Å; V383-F385 PolarHBondContact O-N 3.05Å; V383-I445 HydrophobicContact CG1-CD1 4.24Å; V383-I469 HydrophobicContact CB-CD1 4.03Å; V383-I469 HydrophobicContact CG1-CD1 4.1Å; V383-I469 HydrophobicContact CG2-CD1 4.05Å
384	M	96.9	Very high	96.8	Very high	134 Å²	134	36.6 Å²	36.6	66%	0.66	20%	0.198	S	C	*	.			trans	-76.1	112	170	179.2	-175.5	177.2	0	0	109.8	K388	M384-K388 VanDerWaalsContact O-CE 3.29Å; M384-K388 WeakPolarHBondContact O-CE 3.13Å; M384-K388 WeakPolarHBondContact O-CG 3.47Å; M384-K388 PolarHBondContact O-NZ 3.46Å
385	F	98.1	Very high	96.9	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.035	19%	0.189	C	C	.	.			trans	-65.9	-41.5	179.7	-57.4	-53.4	0	0	0	114.1	L374 L377 K378 V383 G387 K388 L406 M409 S411	L374-F385 HydrophobicContact CB-CE2 4.3Å; L374-F385 HydrophobicContact CB-CZ 4.42Å; L374-F385 HydrophobicContact CD2-CD2 4.25Å; L374-F385 HydrophobicContact CD2-CE2 3.85Å; L374-F385 HydrophobicContact CD2-CZ 4.02Å; L377-F385 HydrophobicContact CB-CE1 3.77Å; L377-F385 HydrophobicContact CB-CZ 3.96Å; L377-F385 HydrophobicContact CD1-CE1 3.87Å; L377-F385 HydrophobicContact CG-CE1 4.48Å; K378-F385 HydrophobicContact CD-CE2 4.14Å; K378-F385 HydrophobicContact CD-CZ 4.14Å; K378-F385 HydrophobicContact CG-CE2 3.92Å; K378-F385 HydrophobicContact CG-CZ 3.88Å; V383-F385 HydrophobicContact CG1-CD1 4.06Å; V383-F385 HydrophobicContact CG1-CE1 3.8Å; V383-F385 PolarHBondContact O-N 3.05Å; F385-G387 PolarHBondContact O-N 2.92Å; F385-K388 VanDerWaalsContact O-CB 3.29Å; F385-K388 WeakPolarHBondContact O-CB 3.24Å; F385-K388 WeakPolarHBondContact O-CG 3.41Å; F385-K388 PolarHBondContact O-N 3.1Å; F385-L406 HydrophobicContact CD1-CD2 4.05Å; F385-L406 HydrophobicContact CE1-CD2 4.27Å; F385-M409 HydrophobicContact CB-CB 3.81Å; F385-M409 HydrophobicContact CD2-CB 3.91Å; F385-M409 HydrophobicContact CD2-CE 3.98Å; F385-M409 HydrophobicContact CD2-CG 4Å; F385-M409 HydrophobicContact CG-CB 4.17Å; F385-S411 PolarHBondContact O-OG 3.46Å
386	G	98.2	Very high	96.9	Very high	26 Å²	26	34.4 Å²	34.4	27%	0.268	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	125.1	-177	0	0	0	0	0	112.9	K388 M409	G386-K388 VanDerWaalsContact C-N 3.26Å; G386-K388 PolarHBondContact O-N 2.76Å; G386-M409 PolarHBondContact N-O 2.65Å
387	G	97.4	Very high	96.9	Very high	55 Å²	55	35.9 Å²	35.9	57%	0.567	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	-1	-179.1	0	0	0	0	0	116.1	F385 G410	F385-G387 PolarHBondContact O-N 2.92Å; G387-G410 PolarHBondContact N-O 3.42Å
388	K	98.4	Very high	96.8	Very high	48 Å²	48	37.3 Å²	37.3	21%	0.209	21%	0.208	C	C	.	.			trans	-72.2	141.3	174.7	-63.2	-66.3	173.6	-56.9	0	111	M384 F385 G386 V390 I412 D444	M384-K388 VanDerWaalsContact O-CE 3.29Å; M384-K388 WeakPolarHBondContact O-CE 3.13Å; M384-K388 WeakPolarHBondContact O-CG 3.47Å; M384-K388 PolarHBondContact O-NZ 3.46Å; F385-K388 VanDerWaalsContact O-CB 3.29Å; F385-K388 WeakPolarHBondContact O-CB 3.24Å; F385-K388 WeakPolarHBondContact O-CG 3.41Å; F385-K388 PolarHBondContact O-N 3.1Å; G386-K388 VanDerWaalsContact C-N 3.26Å; G386-K388 PolarHBondContact O-N 2.76Å; K388-V390 HydrophobicContact CB-CG2 4.34Å; K388-I412 PolarHBondContact O-N 3.41Å; K388-D444 HydrophobicContact CB-CB 4.08Å; K388-D444 HydrophobicContact CD-CB 3.71Å; K388-D444 VanDerWaalsContact CD-CG 3.45Å; K388-D444 HydrophobicContact CG-CB 4.37Å
389	Q	98.7	Very high	96.9	Very high	45 Å²	45	33.5 Å²	33.5	21%	0.21	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.2	167.9	-75	-179.8	72.4	0	0	109.2	I412 Y414 V443 D444 I445	Q389-I412 WeakPolarHBondContact CA-O 3.39Å; Q389-I412 HydrophobicContact CG-CB 4.29Å; Q389-I412 HydrophobicContact CG-CD1 4.43Å; Q389-I412 HydrophobicContact CG-CG2 4.45Å; Q389-Y414 HydrophobicContact CB-CE2 4.01Å; Q389-Y414 HydrophobicContact CG-CE2 4.01Å; Q389-Y414 PolarHBondContact OE1-OH 3.37Å; Q389-V443 HydrophobicContact CB-CG1 4.34Å; Q389-D444 PolarHBondContact N-OD2 2.95Å; Q389-D444 PolarHBondContact O-N 3.4Å; Q389-I445 PolarHBondContact O-N 3.42Å
390	V	98.8	Very high	97.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.2	-179.6	-174.4	0	0	0	0	109.1	K388 V392 L406 I412 V413 Y414 I445 I447	K388-V390 HydrophobicContact CB-CG2 4.34Å; V390-V392 HydrophobicContact CG1-CG2 4.35Å; V390-L406 HydrophobicContact CG1-CD1 4.04Å; V390-I412 PolarHBondContact N-O 3.22Å; V390-V413 CarbonylContact O-C 3.53Å; V390-V413 WeakPolarHBondContact O-CA 3.42Å; V390-Y414 WeakPolarHBondContact O-CD2 3.43Å; V390-Y414 PolarHBondContact O-N 2.9Å; V390-I445 WeakPolarHBondContact CA-O 3.4Å; V390-I445 HydrophobicContact CB-CB 4.39Å; V390-I445 HydrophobicContact CG1-CB 3.95Å; V390-I445 HydrophobicContact CG1-CG2 4.3Å; V390-I445 HydrophobicContact CG2-CB 4.01Å; V390-I445 HydrophobicContact CG2-CD1 4.1Å; V390-I445 HydrophobicContact CG2-CG1 4.19Å; V390-I447 HydrophobicContact CG1-CD1 3.63Å; V390-I447 HydrophobicContact CG1-CG1 4.09Å
391	V	98.9	Very high	97.3	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.5	168	60.1	0	0	0	0	110.2	Y414 T416 L436 V439 V443 I445 V446 I447	V391-Y414 WeakPolarHBondContact CA-O 3.35Å; V391-T416 HydrophobicContact CG2-CG2 3.73Å; V391-L436 HydrophobicContact CB-CD1 4.5Å; V391-L436 HydrophobicContact CG1-CD1 3.69Å; V391-L436 HydrophobicContact CG2-CD1 4.04Å; V391-V439 HydrophobicContact CB-CG2 4.17Å; V391-V439 HydrophobicContact CG1-CG2 4.48Å; V391-V439 HydrophobicContact CG2-CG2 4.12Å; V391-V443 HydrophobicContact CB-CG1 4.06Å; V391-V443 HydrophobicContact CG1-CB 4.31Å; V391-V443 HydrophobicContact CG1-CG1 3.96Å; V391-V443 HydrophobicContact CG1-CG2 4.06Å; V391-I445 PolarHBondContact N-O 3.25Å; V391-V446 HydrophobicContact CG1-CB 4.24Å; V391-V446 HydrophobicContact CG1-CG1 4.2Å; V391-V446 HydrophobicContact CG1-CG2 3.8Å; V391-I447 PolarHBondContact O-N 2.82Å
392	V	98.9	Very high	97.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120	174.6	-175.2	0	0	0	0	108.4	V390 C402 C403 V413 Y414 V415 T416 I447 C449	V390-V392 HydrophobicContact CG1-CG2 4.35Å; V392-C402 HydrophobicContact CG1-CB 4.37Å; V392-C403 VanDerWaalsContact CB-SG 3.59Å; V392-V413 HydrophobicContact CG2-CG1 4.09Å; V392-Y414 PolarHBondContact N-O 3.45Å; V392-V415 WeakPolarHBondContact O-CA 3.17Å; V392-T416 PolarHBondContact O-N 2.68Å; V392-I447 WeakPolarHBondContact CA-O 3.47Å; V392-I447 HydrophobicContact CG2-CB 4.44Å; V392-I447 HydrophobicContact CG2-CD1 4.25Å; V392-C449 HydrophobicContact CG1-CB 4.31Å
393	C	98.6	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	112.8	178.9	-57	0	0	0	0	109.3	T416 I447 C449 T450 V455	C393-T416 WeakPolarHBondContact CA-OG1 3.4Å; C393-I447 PolarHBondContact N-O 3.09Å; C393-C449 CarbonylContact O-C 3.43Å; C393-C449 WeakPolarHBondContact O-CA 3.33Å; C393-C449 WeakPolarHBondContact O-CB 3.43Å; C393-C449 PolarHBondContact O-N 3.5Å; C393-T450 HydrophobicContact CB-CG2 4.12Å; C393-T450 WeakPolarHBondContact O-CG2 3.42Å; C393-V455 HydrophobicContact CB-CG1 3.59Å
394	G	98.1	Very high	97.8	Very high	4 Å²	4	23.2 Å²	23.2	4%	0.041	15%	0.15	C	C	.	.			trans	99.1	138.8	-172.4	0	0	0	0	0	112.5	G399 T416	G394-G399 WeakPolarHBondContact O-CA 3.46Å; G394-T416 PolarHBondContact N-O 3.4Å
395	Y	98.4	Very high	97.9	Very high	5 Å²	5	17.1 Å²	17.1	2%	0.02	12%	0.121	C	C	.	.			trans	-131.7	29	179.7	-154.4	-105.7	0	0	0	112.3	K400 C403 V415 E417 C422 Q425 A426 D429 F431	Y395-K400 HydrophobicContact CD1-CG 3.87Å; Y395-K400 HydrophobicContact CD2-CG 4.43Å; Y395-K400 HydrophobicContact CE1-CD 4.32Å; Y395-K400 HydrophobicContact CE1-CG 3.58Å; Y395-K400 HydrophobicContact CE2-CG 4.18Å; Y395-K400 HydrophobicContact CG-CG 4.28Å; Y395-K400 PolarHBondContact O-NZ 3.33Å; Y395-C403 HydrophobicContact CE2-CB 3.79Å; Y395-V415 HydrophobicContact CD2-CG1 3.92Å; Y395-V415 HydrophobicContact CD2-CG2 3.86Å; Y395-V415 HydrophobicContact CE2-CG2 4.15Å; Y395-V415 HydrophobicContact CG-CG1 4.15Å; Y395-E417 WeakPolarHBondContact CA-OE1 3.49Å; Y395-E417 PolarHBondContact N-OE1 3.44Å; Y395-C422 WeakPolarHBondContact CD1-O 3.37Å; Y395-Q425 HydrophobicContact CD1-CB 4.2Å; Y395-Q425 HydrophobicContact CE1-CB 4Å; Y395-A426 HydrophobicContact CD1-CB 3.71Å; Y395-A426 HydrophobicContact CD2-CB 3.99Å; Y395-A426 VanDerWaalsContact CE1-CA 3.47Å; Y395-A426 HydrophobicContact CE1-CB 3.85Å; Y395-A426 HydrophobicContact CE2-CB 4.13Å; Y395-A426 HydrophobicContact CG-CB 3.79Å; Y395-D429 WeakPolarHBondContact CE1-OD2 3.27Å; Y395-D429 WeakPolarHBondContact OH-CB 3.49Å; Y395-D429 PolarHBondContact OH-OD2 3.33Å; Y395-F431 HydrophobicContact CE2-CD2 4Å; Y395-F431 HydrophobicContact CE2-CE2 4.17Å; Y395-F431 AromaticContact CZ-CD2 3.99Å; Y395-F431 WeakPolarHBondContact OH-CD2 3.45Å; Y395-F431 VanDerWaalsContact OH-CE2 3.24Å; Y395-F431 WeakPolarHBondContact OH-CE2 3.2Å
396	G	95.6	Very high	97.9	Very high	30 Å²	30	16.7 Å²	16.7	31%	0.309	12%	0.119	S	C	.	.	S	Bend	trans	-62.3	-173	154.2	0	0	0	0	0	111.6	V398 G399 K400	G396-V398 VanDerWaalsContact C-N 3.33Å; G396-V398 PolarHBondContact O-N 2.97Å; G396-G399 WeakPolarHBondContact O-CA 3.47Å; G396-G399 PolarHBondContact O-N 2.92Å; G396-K400 WeakPolarHBondContact O-CG 3.35Å; G396-K400 PolarHBondContact O-N 3.5Å
397	E	94.6	Very high	97.9	Very high	31 Å²	31	19.8 Å²	19.8	15%	0.145	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-38.8	-172	-56.8	-51.5	137.5	0	0	113.7	Q361 K362 N365 L366 G399 K400 G401	Q361-E397 HydrophobicContact CG-CG 4.04Å; K362-E397 WeakPolarHBondContact CD-OE2 3.49Å; K362-E397 WeakPolarHBondContact CE-OE2 3.45Å; K362-E397 IonicContact NZ-OE1 3.39Å; K362-E397 PolarHBondContact NZ-OE1 3.38Å; K362-E397 IonicContact NZ-OE2 3.49Å; K362-E397 PolarHBondContact NZ-OE2 3.03Å; N365-E397 HydrophobicContact CB-CB 4.05Å; N365-E397 CarbonylContact O-C 3.57Å; L366-E397 HydrophobicContact CB-CB 4.3Å; L366-E397 WeakPolarHBondContact CD1-O 3.34Å; E397-G399 PolarHBondContact O-N 3.36Å; E397-K400 PolarHBondContact O-N 3.07Å; E397-K400 IonicContact OE1-NZ 3.22Å; E397-G401 PolarHBondContact O-N 3.49Å
398	V	94.8	Very high	97.9	Very high	30 Å²	30	21.3 Å²	21.3	18%	0.182	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-47	173.4	179.4	0	0	0	0	110.8	N365 C369 G396 G401 C402 C449 M473	N365-V398 HydrophobicContact CB-CG2 4.29Å; N365-V398 WeakPolarHBondContact O-CA 3.48Å; N365-V398 PolarHBondContact O-N 3.4Å; C369-V398 HydrophobicContact CB-CG1 4.17Å; G396-V398 VanDerWaalsContact C-N 3.33Å; G396-V398 PolarHBondContact O-N 2.97Å; V398-G401 PolarHBondContact O-N 3.06Å; V398-C402 WeakPolarHBondContact O-CB 3.32Å; V398-C402 PolarHBondContact O-N 2.68Å; V398-C402 PolarHBondContact O-SG 3.48Å; V398-C449 HydrophobicContact CB-CB 4.37Å; V398-C449 HydrophobicContact CG1-CB 3.95Å; V398-M473 HydrophobicContact CG1-CB 3.81Å
399	G	97.8	Very high	97.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.4	-45.2	177.2	0	0	0	0	0	112.4	G394 G396 E397 G401 C402 C403	G394-G399 WeakPolarHBondContact O-CA 3.46Å; G396-G399 WeakPolarHBondContact O-CA 3.47Å; G396-G399 PolarHBondContact O-N 2.92Å; E397-G399 PolarHBondContact O-N 3.36Å; G399-G401 PolarHBondContact O-N 3.43Å; G399-C402 PolarHBondContact O-N 2.9Å; G399-C403 VanDerWaalsContact O-CB 3.25Å; G399-C403 WeakPolarHBondContact O-CB 3.44Å; G399-C403 PolarHBondContact O-N 3.43Å; G399-C403 PolarHBondContact O-SG 3.07Å
400	K	98.5	Very high	97.9	Very high	23 Å²	23	23.4 Å²	23.4	10%	0.1	16%	0.156	C	C	.	.	H	α-helix	trans	-57.9	-47.5	174.5	-72.1	179.2	175.2	80.8	0	111.7	L366 Y395 G396 E397 C403 A404	L366-K400 HydrophobicContact CD1-CB 3.72Å; Y395-K400 HydrophobicContact CD1-CG 3.87Å; Y395-K400 HydrophobicContact CD2-CG 4.43Å; Y395-K400 HydrophobicContact CE1-CD 4.32Å; Y395-K400 HydrophobicContact CE1-CG 3.58Å; Y395-K400 HydrophobicContact CE2-CG 4.18Å; Y395-K400 HydrophobicContact CG-CG 4.28Å; Y395-K400 PolarHBondContact O-NZ 3.33Å; G396-K400 WeakPolarHBondContact O-CG 3.35Å; G396-K400 PolarHBondContact O-N 3.5Å; E397-K400 PolarHBondContact O-N 3.07Å; E397-K400 IonicContact OE1-NZ 3.22Å; K400-C403 PolarHBondContact O-N 3.33Å; K400-A404 WeakPolarHBondContact O-CB 3.36Å; K400-A404 PolarHBondContact O-N 3.1Å
401	G	97.7	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.3	-52.1	177.5	0	0	0	0	0	111.8	L366 R370 E397 V398 G399 C403 A404 A405	L366-G401 WeakPolarHBondContact O-CA 3.21Å; R370-G401 WeakPolarHBondContact CA-O 3.24Å; E397-G401 PolarHBondContact O-N 3.49Å; V398-G401 PolarHBondContact O-N 3.06Å; G399-G401 PolarHBondContact O-N 3.43Å; G401-C403 PolarHBondContact O-N 2.85Å; G401-A404 PolarHBondContact O-N 3.29Å; G401-A405 WeakPolarHBondContact O-CB 3.46Å; G401-A405 PolarHBondContact O-N 3.18Å; G401-A405 VanDerWaalsContact O-N 3.1Å
402	C	98.4	Very high	97.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.4	-48.4	177.1	-68.2	0	0	0	0	112.6	I373 V392 V398 G399 A405 L406	I373-C402 HydrophobicContact CG1-CB 4.45Å; V392-C402 HydrophobicContact CG1-CB 4.37Å; V398-C402 WeakPolarHBondContact O-CB 3.32Å; V398-C402 PolarHBondContact O-N 2.68Å; V398-C402 PolarHBondContact O-SG 3.48Å; G399-C402 PolarHBondContact O-N 2.9Å; C402-A405 PolarHBondContact O-N 2.86Å; C402-L406 WeakPolarHBondContact O-CB 3.38Å; C402-L406 WeakPolarHBondContact O-CD1 3.45Å; C402-L406 WeakPolarHBondContact O-CG 3.18Å; C402-L406 PolarHBondContact O-N 3.25Å
403	C	98.8	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-44.2	-178.3	-70.5	0	0	0	0	112.3	V392 Y395 G399 K400 G401 K407 V413 F431	V392-C403 VanDerWaalsContact CB-SG 3.59Å; Y395-C403 HydrophobicContact CE2-CB 3.79Å; G399-C403 VanDerWaalsContact O-CB 3.25Å; G399-C403 WeakPolarHBondContact O-CB 3.44Å; G399-C403 PolarHBondContact O-N 3.43Å; G399-C403 PolarHBondContact O-SG 3.07Å; K400-C403 PolarHBondContact O-N 3.33Å; G401-C403 PolarHBondContact O-N 2.85Å; C403-K407 WeakPolarHBondContact O-CB 3.17Å; C403-K407 PolarHBondContact O-N 3.43Å; C403-V413 HydrophobicContact CB-CG1 4.17Å; C403-F431 HydrophobicContact CB-CD1 4.23Å; C403-F431 HydrophobicContact CB-CE1 3.62Å; C403-F431 HydrophobicContact CB-CE2 4Å; C403-F431 HydrophobicContact CB-CZ 3.5Å; C403-F431 WeakPolarHBondContact O-CE1 3.49Å
404	A	98.4	Very high	97.9	Very high	48 Å²	48	29.6 Å²	29.6	40%	0.397	19%	0.188	S	C	.	.	H	α-helix	trans	-62.1	-45.9	177.8	0	0	0	0	0	111.7	K400 G401 A408	K400-A404 WeakPolarHBondContact O-CB 3.36Å; K400-A404 PolarHBondContact O-N 3.1Å; G401-A404 PolarHBondContact O-N 3.29Å; A404-A408 WeakPolarHBondContact O-CB 3.27Å; A404-A408 PolarHBondContact O-N 2.91Å
405	A	98.1	Very high	97.9	Very high	6 Å²	6	29.4 Å²	29.4	5%	0.05	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-50.1	179.6	0	0	0	0	0	112.7	R370 I373 L374 G401 C402 K407 A408 M409	R370-A405 HydrophobicContact CG-CB 3.92Å; R370-A405 WeakPolarHBondContact O-CB 3.48Å; I373-A405 HydrophobicContact CG2-CB 3.83Å; L374-A405 HydrophobicContact CD1-CB 4.06Å; L374-A405 HydrophobicContact CD2-CB 4.12Å; L374-A405 HydrophobicContact CG-CB 3.98Å; G401-A405 WeakPolarHBondContact O-CB 3.46Å; G401-A405 PolarHBondContact O-N 3.18Å; G401-A405 VanDerWaalsContact O-N 3.1Å; C402-A405 PolarHBondContact O-N 2.86Å; A405-K407 PolarHBondContact O-N 2.77Å; A405-A408 PolarHBondContact O-N 2.71Å; A405-M409 WeakPolarHBondContact O-CG 3.5Å; A405-M409 PolarHBondContact O-N 3.09Å
406	L	98.6	Very high	97.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-70.1	-35.1	-176.3	-69.2	161.3	0	0	0	111.9	I373 L374 L377 F385 V390 C402 M409 G410 S411 V413 I447	I373-L406 HydrophobicContact CG1-CD1 4.25Å; L374-L406 HydrophobicContact CD2-CD2 3.86Å; L374-L406 HydrophobicContact CD2-CG 4.3Å; L377-L406 HydrophobicContact CD1-CD2 4.14Å; F385-L406 HydrophobicContact CD1-CD2 4.05Å; F385-L406 HydrophobicContact CE1-CD2 4.27Å; V390-L406 HydrophobicContact CG1-CD1 4.04Å; C402-L406 WeakPolarHBondContact O-CB 3.38Å; C402-L406 WeakPolarHBondContact O-CD1 3.45Å; C402-L406 WeakPolarHBondContact O-CG 3.18Å; C402-L406 PolarHBondContact O-N 3.25Å; L406-M409 CarbonylContact O-C 3.6Å; L406-M409 PolarHBondContact O-N 3.18Å; L406-G410 PolarHBondContact O-N 3.04Å; L406-S411 WeakPolarHBondContact O-CB 3.46Å; L406-S411 PolarHBondContact O-N 3.18Å; L406-S411 PolarHBondContact O-OG 2.88Å; L406-V413 HydrophobicContact CB-CG2 3.79Å; L406-I447 HydrophobicContact CD1-CD1 3.36Å
407	K	98.4	Very high	98.1	Very high	90 Å²	90	31.1 Å²	31.1	39%	0.391	19%	0.187	S	C	.	.	H	α-helix	trans	-65.6	-41.4	172.2	-178.6	166.8	173.7	171.3	0	112	C403 A405 M409 G410 V413 D429 G430 F431	C403-K407 WeakPolarHBondContact O-CB 3.17Å; C403-K407 PolarHBondContact O-N 3.43Å; A405-K407 PolarHBondContact O-N 2.77Å; K407-M409 VanDerWaalsContact C-N 3.29Å; K407-M409 PolarHBondContact O-N 2.73Å; K407-G410 PolarHBondContact O-N 2.77Å; K407-V413 HydrophobicContact CB-CG2 4.42Å; K407-D429 PolarHBondContact NZ-O 2.84Å; K407-G430 PolarHBondContact NZ-O 3.04Å; K407-F431 HydrophobicContact CB-CE1 3.9Å; K407-F431 HydrophobicContact CB-CZ 4.17Å; K407-F431 HydrophobicContact CD-CD1 4.21Å; K407-F431 HydrophobicContact CD-CE1 3.4Å; K407-F431 HydrophobicContact CD-CE2 4.3Å; K407-F431 HydrophobicContact CD-CZ 3.44Å; K407-F431 VanDerWaalsContact CD-CZ 3.44Å; K407-F431 HydrophobicContact CG-CE1 4.27Å; K407-F431 HydrophobicContact CG-CZ 4.47Å
408	A	98.3	Very high	98.3	Very high	88 Å²	88	37.2 Å²	37.2	73%	0.727	22%	0.219	S	C	*	.	H	α-helix	trans	-62.2	-35.7	173.6	0	0	0	0	0	112.4	A404 A405 G410	A404-A408 WeakPolarHBondContact O-CB 3.27Å; A404-A408 PolarHBondContact O-N 2.91Å; A405-A408 PolarHBondContact O-N 2.71Å; A408-G410 PolarHBondContact O-N 3.44Å
409	M	98.3	Very high	98.4	Very high	92 Å²	92	39 Å²	39	45%	0.453	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	12	172.9	-63.2	-56.4	-66.3	0	0	114.6	L374 F385 G386 A405 L406 K407	L374-M409 HydrophobicContact CD1-CG 3.7Å; L374-M409 HydrophobicContact CD1-SD 4.35Å; L374-M409 HydrophobicContact CD2-CG 3.89Å; L374-M409 HydrophobicContact CG-CG 4.46Å; F385-M409 HydrophobicContact CB-CB 3.81Å; F385-M409 HydrophobicContact CD2-CB 3.91Å; F385-M409 HydrophobicContact CD2-CE 3.98Å; F385-M409 HydrophobicContact CD2-CG 4Å; F385-M409 HydrophobicContact CG-CB 4.17Å; G386-M409 PolarHBondContact N-O 2.65Å; A405-M409 WeakPolarHBondContact O-CG 3.5Å; A405-M409 PolarHBondContact O-N 3.09Å; L406-M409 CarbonylContact O-C 3.6Å; L406-M409 PolarHBondContact O-N 3.18Å; K407-M409 VanDerWaalsContact C-N 3.29Å; K407-M409 PolarHBondContact O-N 2.73Å
410	G	98.2	Very high	98.5	Very high	44 Å²	44	43.7 Å²	43.7	45%	0.454	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	22	174.8	0	0	0	0	0	115.3	G387 L406 K407 A408	G387-G410 PolarHBondContact N-O 3.42Å; L406-G410 PolarHBondContact O-N 3.04Å; K407-G410 PolarHBondContact O-N 2.77Å; A408-G410 PolarHBondContact O-N 3.44Å
411	S	98.6	Very high	98.5	Very high	10 Å²	10	48.2 Å²	48.2	7%	0.07	28%	0.283	C	S	.	.			trans	-82	147.7	175.2	-39.5	0	0	0	0	111.4	F385 L406 V413	F385-S411 PolarHBondContact O-OG 3.46Å; L406-S411 WeakPolarHBondContact O-CB 3.46Å; L406-S411 PolarHBondContact O-N 3.18Å; L406-S411 PolarHBondContact O-OG 2.88Å; S411-V413 PolarHBondContact O-N 3.21Å
412	I	98.6	Very high	98.5	Very high	84 Å²	84	49.3 Å²	49.3	43%	0.431	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	97.7	170.8	-57.7	173.2	0	0	0	107.3	K388 Q389 V390 Y414	K388-I412 PolarHBondContact O-N 3.41Å; Q389-I412 WeakPolarHBondContact CA-O 3.39Å; Q389-I412 HydrophobicContact CG-CB 4.29Å; Q389-I412 HydrophobicContact CG-CD1 4.43Å; Q389-I412 HydrophobicContact CG-CG2 4.45Å; V390-I412 PolarHBondContact N-O 3.22Å; I412-Y414 HydrophobicContact CG2-CE2 4.19Å
413	V	98.8	Very high	98.5	Very high	13 Å²	13	49.9 Å²	49.9	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.6	-173.9	-178.5	0	0	0	0	111.7	V390 V392 C403 L406 K407 S411 F431	V390-V413 CarbonylContact O-C 3.53Å; V390-V413 WeakPolarHBondContact O-CA 3.42Å; V392-V413 HydrophobicContact CG2-CG1 4.09Å; C403-V413 HydrophobicContact CB-CG1 4.17Å; L406-V413 HydrophobicContact CB-CG2 3.79Å; K407-V413 HydrophobicContact CB-CG2 4.42Å; S411-V413 PolarHBondContact O-N 3.21Å; V413-F431 HydrophobicContact CB-CD1 3.71Å; V413-F431 HydrophobicContact CB-CE1 3.77Å; V413-F431 HydrophobicContact CG1-CD1 3.68Å; V413-F431 HydrophobicContact CG1-CE1 3.81Å; V413-F431 HydrophobicContact CG2-CE1 4.38Å
414	Y	98.8	Very high	98.5	Very high	24 Å²	24	55.2 Å²	55.2	9%	0.094	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	151.1	167.2	-54.4	-75.6	0	0	0	110.3	Q389 V390 V391 V392 I412 R432 V434 V439 V443	Q389-Y414 HydrophobicContact CB-CE2 4.01Å; Q389-Y414 HydrophobicContact CG-CE2 4.01Å; Q389-Y414 PolarHBondContact OE1-OH 3.37Å; V390-Y414 WeakPolarHBondContact O-CD2 3.43Å; V390-Y414 PolarHBondContact O-N 2.9Å; V391-Y414 WeakPolarHBondContact CA-O 3.35Å; V392-Y414 PolarHBondContact N-O 3.45Å; I412-Y414 HydrophobicContact CG2-CE2 4.19Å; Y414-R432 WeakPolarHBondContact CA-O 3.49Å; Y414-R432 HydrophobicContact CD1-CB 4.07Å; Y414-R432 HydrophobicContact CD1-CG 4.36Å; Y414-V434 HydrophobicContact CD1-CG1 4.03Å; Y414-V439 HydrophobicContact CD1-CG1 4.38Å; Y414-V439 HydrophobicContact CD2-CG1 4.45Å; Y414-V439 HydrophobicContact CG-CG1 4.33Å; Y414-V443 HydrophobicContact CD2-CG1 4.12Å; Y414-V443 HydrophobicContact CE2-CG1 4.4Å
415	V	98.9	Very high	98.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.1	178.1	173.4	0	0	0	0	110.1	V392 Y395 E417 A426 F431 R432 L433 V434	V392-V415 WeakPolarHBondContact O-CA 3.17Å; Y395-V415 HydrophobicContact CD2-CG1 3.92Å; Y395-V415 HydrophobicContact CD2-CG2 3.86Å; Y395-V415 HydrophobicContact CE2-CG2 4.15Å; Y395-V415 HydrophobicContact CG-CG1 4.15Å; V415-E417 HydrophobicContact CG1-CG 4.5Å; V415-A426 HydrophobicContact CB-CB 4.14Å; V415-A426 HydrophobicContact CG1-CB 3.86Å; V415-A426 HydrophobicContact CG2-CB 4.25Å; V415-F431 HydrophobicContact CG2-CB 3.78Å; V415-F431 HydrophobicContact CG2-CD1 4.48Å; V415-F431 HydrophobicContact CG2-CG 4.14Å; V415-R432 PolarHBondContact N-O 3.36Å; V415-L433 HydrophobicContact CG1-CD1 4.38Å; V415-L433 CarbonylContact O-C 3.56Å; V415-L433 WeakPolarHBondContact O-CA 3.34Å; V415-V434 PolarHBondContact O-N 3.34Å
416	T	98.8	Very high	98.5	Very high	23 Å²	23	56.5 Å²	56.5	14%	0.141	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.8	165.2	81.9	0	0	0	0	109.6	V391 V392 C393 G394 V434 L436	V391-T416 HydrophobicContact CG2-CG2 3.73Å; V392-T416 PolarHBondContact O-N 2.68Å; C393-T416 WeakPolarHBondContact CA-OG1 3.4Å; G394-T416 PolarHBondContact N-O 3.4Å; T416-V434 HydrophobicContact CG2-CG2 4.15Å; T416-V434 WeakPolarHBondContact CG2-O 3.49Å; T416-L436 HydrophobicContact CG2-CB 4.18Å
417	E	98.6	Very high	98.5	Very high	47 Å²	47	59.5 Å²	59.5	22%	0.22	34%	0.34	C	S	.	.			trans	-137.3	157.7	177	-104.8	-66.5	177.2	0	0	111.9	Y395 V415 D419 C422 A423 L433	Y395-E417 WeakPolarHBondContact CA-OE1 3.49Å; Y395-E417 PolarHBondContact N-OE1 3.44Å; V415-E417 HydrophobicContact CG1-CG 4.5Å; E417-D419 PolarHBondContact OE2-N 2.94Å; E417-C422 HydrophobicContact CG-CB 3.83Å; E417-C422 WeakPolarHBondContact OE1-CB 3.34Å; E417-A423 HydrophobicContact CB-CB 3.84Å; E417-L433 HydrophobicContact CB-CD1 4.08Å
418	I	98.1	Very high	98.5	Very high	159 Å²	159	62.3 Å²	62.3	82%	0.815	36%	0.356	S	S	*	.	S	Bend	trans	-109.4	-26.1	169.7	62.4	174.4	0	0	0	111.8
419	D	98.3	Very high	98.6	Very high	68 Å²	68	62 Å²	62	36%	0.364	34%	0.342	S	S	.	.	S	Bend	trans	-85.3	122.3	176.5	-173.9	-54.8	0	0	0	109.9	E417 I421 C422 A423	E417-D419 PolarHBondContact OE2-N 2.94Å; D419-I421 VanDerWaalsContact C-N 3.26Å; D419-I421 PolarHBondContact O-N 3.3Å; D419-I421 WeakPolarHBondContact OD1-CA 3.32Å; D419-I421 VanDerWaalsContact OD1-CB 3.22Å; D419-I421 WeakPolarHBondContact OD1-CB 3.22Å; D419-I421 PolarHBondContact OD1-N 2.9Å; D419-C422 HydrophobicContact CB-CB 4.1Å; D419-C422 PolarHBondContact O-N 3.27Å; D419-C422 PolarHBondContact OD1-N 2.8Å; D419-A423 VanDerWaalsContact O-CB 3.25Å; D419-A423 WeakPolarHBondContact O-CB 3.39Å; D419-A423 PolarHBondContact O-N 3.05Å
420	P	98.4	Very high	98.5	Very high	99 Å²	99	60 Å²	60	64%	0.643	35%	0.345	S	S	*	.	H	α-helix	trans	-67.7	-22.5	-177	28.2	-35.2	0	0	0	113.7	L424	P420-L424 VanDerWaalsContact O-CB 3.23Å; P420-L424 WeakPolarHBondContact O-CB 3.21Å; P420-L424 PolarHBondContact O-N 2.96Å
421	I	98.6	Very high	98.6	Very high	118 Å²	118	58.7 Å²	58.7	61%	0.605	33%	0.327	S	S	*	.	H	α-helix	trans	-74.9	-48.4	175.6	-54.4	175.1	0	0	0	109.2	D419 A423 L424 Q425	D419-I421 VanDerWaalsContact C-N 3.26Å; D419-I421 PolarHBondContact O-N 3.3Å; D419-I421 WeakPolarHBondContact OD1-CA 3.32Å; D419-I421 VanDerWaalsContact OD1-CB 3.22Å; D419-I421 WeakPolarHBondContact OD1-CB 3.22Å; D419-I421 PolarHBondContact OD1-N 2.9Å; I421-A423 VanDerWaalsContact C-N 3.35Å; I421-L424 PolarHBondContact O-N 2.7Å; I421-Q425 WeakPolarHBondContact O-CG 3.39Å; I421-Q425 PolarHBondContact O-N 2.95Å
422	C	98.4	Very high	98.6	Very high	23 Å²	23	66 Å²	66	16%	0.155	35%	0.353	C	S	.	.	H	α-helix	trans	-64	-40.1	175.2	-67.5	0	0	0	0	111.7	Y395 E417 D419 Q425 A426	Y395-C422 WeakPolarHBondContact CD1-O 3.37Å; E417-C422 HydrophobicContact CG-CB 3.83Å; E417-C422 WeakPolarHBondContact OE1-CB 3.34Å; D419-C422 HydrophobicContact CB-CB 4.1Å; D419-C422 PolarHBondContact O-N 3.27Å; D419-C422 PolarHBondContact OD1-N 2.8Å; C422-Q425 PolarHBondContact O-N 3.45Å; C422-A426 PolarHBondContact O-N 3.11Å
423	A	98.7	Very high	98.6	Very high	12 Å²	12	65.4 Å²	65.4	10%	0.099	35%	0.35	C	S	.	.	H	α-helix	trans	-61.5	-43.1	174.2	0	0	0	0	0	112.5	E417 D419 I421 A426 C427 L433	E417-A423 HydrophobicContact CB-CB 3.84Å; D419-A423 VanDerWaalsContact O-CB 3.25Å; D419-A423 WeakPolarHBondContact O-CB 3.39Å; D419-A423 PolarHBondContact O-N 3.05Å; I421-A423 VanDerWaalsContact C-N 3.35Å; A423-A426 PolarHBondContact O-N 3.24Å; A423-C427 PolarHBondContact O-N 3.02Å; A423-C427 VanDerWaalsContact O-N 3.12Å; A423-C427 PolarHBondContact O-SG 2.82Å; A423-L433 HydrophobicContact CB-CD1 3.91Å; A423-L433 HydrophobicContact CB-CD2 3.86Å
424	L	98.8	Very high	98.5	Very high	112 Å²	112	65.3 Å²	65.3	59%	0.586	35%	0.349	S	S	*	.	H	α-helix	trans	-65.8	-40.3	175.7	-179.1	59.9	0	0	0	111.5	P420 I421 C427 M428	P420-L424 VanDerWaalsContact O-CB 3.23Å; P420-L424 WeakPolarHBondContact O-CB 3.21Å; P420-L424 PolarHBondContact O-N 2.96Å; I421-L424 PolarHBondContact O-N 2.7Å; L424-C427 PolarHBondContact O-N 2.57Å; L424-M428 HydrophobicContact CD1-CG 4.27Å; L424-M428 HydrophobicContact CG-CG 4.46Å; L424-M428 VanDerWaalsContact O-CG 3.3Å; L424-M428 WeakPolarHBondContact O-CG 3.28Å; L424-M428 PolarHBondContact O-N 2.98Å
425	Q	98.6	Very high	98.5	Very high	81 Å²	81	71.2 Å²	71.2	38%	0.379	38%	0.375	S	S	.	.	H	α-helix	trans	-58.2	-47.5	172.6	-74.5	-176.2	-35.2	0	0	111.4	Y395 I421 C422 C427 M428 D429	Y395-Q425 HydrophobicContact CD1-CB 4.2Å; Y395-Q425 HydrophobicContact CE1-CB 4Å; I421-Q425 WeakPolarHBondContact O-CG 3.39Å; I421-Q425 PolarHBondContact O-N 2.95Å; C422-Q425 PolarHBondContact O-N 3.45Å; Q425-C427 VanDerWaalsContact C-N 3.31Å; Q425-C427 PolarHBondContact O-N 3.4Å; Q425-M428 PolarHBondContact O-N 3.11Å; Q425-M428 VanDerWaalsContact O-N 3.09Å; Q425-D429 WeakPolarHBondContact O-CB 3.08Å; Q425-D429 VanDerWaalsContact O-CG 3.27Å; Q425-D429 PolarHBondContact O-N 2.98Å
426	A	98.8	Very high	98.5	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-56.4	-43.8	177.2	0	0	0	0	0	112.4	Y395 V415 C422 A423 G430 F431	Y395-A426 HydrophobicContact CD1-CB 3.71Å; Y395-A426 HydrophobicContact CD2-CB 3.99Å; Y395-A426 VanDerWaalsContact CE1-CA 3.47Å; Y395-A426 HydrophobicContact CE1-CB 3.85Å; Y395-A426 HydrophobicContact CE2-CB 4.13Å; Y395-A426 HydrophobicContact CG-CB 3.79Å; V415-A426 HydrophobicContact CB-CB 4.14Å; V415-A426 HydrophobicContact CG1-CB 3.86Å; V415-A426 HydrophobicContact CG2-CB 4.25Å; C422-A426 PolarHBondContact O-N 3.11Å; A423-A426 PolarHBondContact O-N 3.24Å; A426-G430 PolarHBondContact O-N 2.97Å; A426-F431 HydrophobicContact CB-CB 4.45Å; A426-F431 WeakPolarHBondContact O-CA 3.45Å; A426-F431 WeakPolarHBondContact O-CB 3.34Å; A426-F431 PolarHBondContact O-N 3.23Å
427	C	98.6	Very high	98.5	Very high	63 Å²	63	74 Å²	74	43%	0.426	39%	0.39	S	S	.	.	H	α-helix	trans	-62.7	-43.2	175.1	-69.9	0	0	0	0	112.6	A423 L424 Q425 G430	A423-C427 PolarHBondContact O-N 3.02Å; A423-C427 VanDerWaalsContact O-N 3.12Å; A423-C427 PolarHBondContact O-SG 2.82Å; L424-C427 PolarHBondContact O-N 2.57Å; Q425-C427 VanDerWaalsContact C-N 3.31Å; Q425-C427 PolarHBondContact O-N 3.4Å; C427-G430 PolarHBondContact O-N 2.98Å; C427-G430 VanDerWaalsContact O-N 3.12Å
428	M	98.5	Very high	98.4	Very high	149 Å²	149	77 Å²	77	73%	0.734	40%	0.403	S	S	*	.	H	α-helix	trans	-70.5	-34	-180	-67.6	-58.5	-62	0	0	113	L424 Q425 G430	L424-M428 HydrophobicContact CD1-CG 4.27Å; L424-M428 HydrophobicContact CG-CG 4.46Å; L424-M428 VanDerWaalsContact O-CG 3.3Å; L424-M428 WeakPolarHBondContact O-CG 3.28Å; L424-M428 PolarHBondContact O-N 2.98Å; Q425-M428 PolarHBondContact O-N 3.11Å; Q425-M428 VanDerWaalsContact O-N 3.09Å; M428-G430 PolarHBondContact O-N 3Å
429	D	98.4	Very high	98.4	Very high	82 Å²	82	69.6 Å²	69.6	44%	0.439	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	0.4	171.7	-64.2	-29.6	0	0	0	112.3	Y395 K407 Q425 F431	Y395-D429 WeakPolarHBondContact CE1-OD2 3.27Å; Y395-D429 WeakPolarHBondContact OH-CB 3.49Å; Y395-D429 PolarHBondContact OH-OD2 3.33Å; K407-D429 PolarHBondContact NZ-O 2.84Å; Q425-D429 WeakPolarHBondContact O-CB 3.08Å; Q425-D429 VanDerWaalsContact O-CG 3.27Å; Q425-D429 PolarHBondContact O-N 2.98Å; D429-F431 HydrophobicContact CB-CD2 3.74Å; D429-F431 HydrophobicContact CB-CE2 3.74Å
430	G	98.1	Very high	98.4	Very high	49 Å²	49	66.4 Å²	66.4	51%	0.505	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	41.2	176.6	0	0	0	0	0	113.5	K407 A426 C427 M428	K407-G430 PolarHBondContact NZ-O 3.04Å; A426-G430 PolarHBondContact O-N 2.97Å; C427-G430 PolarHBondContact O-N 2.98Å; C427-G430 VanDerWaalsContact O-N 3.12Å; M428-G430 PolarHBondContact O-N 3Å
431	F	98.7	Very high	98.4	Very high	17 Å²	17	70.5 Å²	70.5	8%	0.075	35%	0.351	C	S	.	.			trans	-106.6	146.9	166.6	-61.1	-81.6	0	0	0	110.2	Y395 C403 K407 V413 V415 A426 D429 L433	Y395-F431 HydrophobicContact CE2-CD2 4Å; Y395-F431 HydrophobicContact CE2-CE2 4.17Å; Y395-F431 AromaticContact CZ-CD2 3.99Å; Y395-F431 WeakPolarHBondContact OH-CD2 3.45Å; Y395-F431 VanDerWaalsContact OH-CE2 3.24Å; Y395-F431 WeakPolarHBondContact OH-CE2 3.2Å; C403-F431 HydrophobicContact CB-CD1 4.23Å; C403-F431 HydrophobicContact CB-CE1 3.62Å; C403-F431 HydrophobicContact CB-CE2 4Å; C403-F431 HydrophobicContact CB-CZ 3.5Å; C403-F431 WeakPolarHBondContact O-CE1 3.49Å; K407-F431 HydrophobicContact CB-CE1 3.9Å; K407-F431 HydrophobicContact CB-CZ 4.17Å; K407-F431 HydrophobicContact CD-CD1 4.21Å; K407-F431 HydrophobicContact CD-CE1 3.4Å; K407-F431 HydrophobicContact CD-CE2 4.3Å; K407-F431 HydrophobicContact CD-CZ 3.44Å; K407-F431 VanDerWaalsContact CD-CZ 3.44Å; K407-F431 HydrophobicContact CG-CE1 4.27Å; K407-F431 HydrophobicContact CG-CZ 4.47Å; V413-F431 HydrophobicContact CB-CD1 3.71Å; V413-F431 HydrophobicContact CB-CE1 3.77Å; V413-F431 HydrophobicContact CG1-CD1 3.68Å; V413-F431 HydrophobicContact CG1-CE1 3.81Å; V413-F431 HydrophobicContact CG2-CE1 4.38Å; V415-F431 HydrophobicContact CG2-CB 3.78Å; V415-F431 HydrophobicContact CG2-CD1 4.48Å; V415-F431 HydrophobicContact CG2-CG 4.14Å; A426-F431 HydrophobicContact CB-CB 4.45Å; A426-F431 WeakPolarHBondContact O-CA 3.45Å; A426-F431 WeakPolarHBondContact O-CB 3.34Å; A426-F431 PolarHBondContact O-N 3.23Å; D429-F431 HydrophobicContact CB-CD2 3.74Å; D429-F431 HydrophobicContact CB-CE2 3.74Å; F431-L433 PolarHBondContact O-N 3.46Å
432	R	98.4	Very high	98.3	Very high	163 Å²	163	68.9 Å²	68.9	62%	0.615	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	112.2	176	-178.6	179.2	168.3	177.8	-4.8	109.8	Y414 V415 V434	Y414-R432 WeakPolarHBondContact CA-O 3.49Å; Y414-R432 HydrophobicContact CD1-CB 4.07Å; Y414-R432 HydrophobicContact CD1-CG 4.36Å; V415-R432 PolarHBondContact N-O 3.36Å; R432-V434 HydrophobicContact CG-CG1 3.93Å
433	L	98.6	Very high	98.3	Very high	71 Å²	71	67.8 Å²	67.8	37%	0.372	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	132.6	167.2	-168.2	75.4	0	0	0	110.3	V415 E417 A423 F431	V415-L433 HydrophobicContact CG1-CD1 4.38Å; V415-L433 CarbonylContact O-C 3.56Å; V415-L433 WeakPolarHBondContact O-CA 3.34Å; E417-L433 HydrophobicContact CB-CD1 4.08Å; A423-L433 HydrophobicContact CB-CD1 3.91Å; A423-L433 HydrophobicContact CB-CD2 3.86Å; F431-L433 PolarHBondContact O-N 3.46Å
434	V	98.6	Very high	98.3	Very high	12 Å²	12	68.9 Å²	68.9	7%	0.073	34%	0.338	C	S	.	.			trans	-144.8	166.3	178.7	-60.1	0	0	0	0	110.4	Y414 V415 T416 R432 V439	Y414-V434 HydrophobicContact CD1-CG1 4.03Å; V415-V434 PolarHBondContact O-N 3.34Å; T416-V434 HydrophobicContact CG2-CG2 4.15Å; T416-V434 WeakPolarHBondContact CG2-O 3.49Å; R432-V434 HydrophobicContact CG-CG1 3.93Å; V434-V439 HydrophobicContact CB-CG1 4.13Å; V434-V439 HydrophobicContact CG1-CG1 3.99Å; V434-V439 HydrophobicContact CG2-CG1 3.93Å; V434-V439 HydrophobicContact CG2-CG2 3.82Å
435	K	98.4	Very high	98.4	Very high	147 Å²	147	63.6 Å²	63.6	64%	0.639	31%	0.31	S	S	*	.			trans	-86.6	142.4	158.2	-58.2	176.2	-171.2	167	0	108.8	N437 E438	K435-N437 PolarHBondContact O-N 2.63Å; K435-N437 VanDerWaalsContact O-N 3.12Å; K435-E438 HydrophobicContact CB-CG 4.09Å; K435-E438 WeakPolarHBondContact CB-OE1 3.46Å; K435-E438 WeakPolarHBondContact CD-OE1 3.4Å; K435-E438 WeakPolarHBondContact CG-OE1 3.41Å; K435-E438 PolarHBondContact N-OE2 2.98Å; K435-E438 WeakPolarHBondContact O-CB 3.32Å; K435-E438 PolarHBondContact O-N 2.81Å
436	L	98.2	Very high	98.4	Very high	14 Å²	14	59.7 Å²	59.7	7%	0.073	29%	0.292	C	S	.	.	H	α-helix	trans	-52.1	-41.8	179.6	-174.8	56.9	0	0	0	111.9	V391 T416 E438 V439 I440 V456 H460	V391-L436 HydrophobicContact CB-CD1 4.5Å; V391-L436 HydrophobicContact CG1-CD1 3.69Å; V391-L436 HydrophobicContact CG2-CD1 4.04Å; T416-L436 HydrophobicContact CG2-CB 4.18Å; L436-E438 PolarHBondContact O-N 2.82Å; L436-E438 VanDerWaalsContact O-N 3.13Å; L436-V439 PolarHBondContact O-N 2.94Å; L436-V439 VanDerWaalsContact O-N 3.11Å; L436-I440 HydrophobicContact CD1-CD1 3.98Å; L436-I440 HydrophobicContact CG-CD1 4.19Å; L436-I440 WeakPolarHBondContact O-CB 2.92Å; L436-I440 PolarHBondContact O-N 3.47Å; L436-V456 HydrophobicContact CD2-CG2 4.14Å; L436-H460 WeakPolarHBondContact CD2-ND1 3.45Å
437	N	97.9	Very high	98.4	Very high	69 Å²	69	59.7 Å²	59.7	37%	0.369	29%	0.292	S	S	.	.	H	α-helix	trans	-59.3	-19.8	177.1	-91.8	-39.4	0	0	0	116	K435 H460 R463	K435-N437 PolarHBondContact O-N 2.63Å; K435-N437 VanDerWaalsContact O-N 3.12Å; N437-H460 PolarHBondContact ND2-NE2 2.71Å; N437-H460 PolarHBondContact OD1-CD2 2.83Å; N437-R463 PolarHBondContact O-NH2 2.86Å; N437-R463 PolarHBondContact OD1-NH1 2.77Å; N437-R463 PolarHBondContact OD1-NH2 3.03Å
438	E	97.9	Very high	98.4	Very high	108 Å²	108	56.7 Å²	56.7	51%	0.505	27%	0.272	S	S	.	.	H	α-helix	trans	-81.4	-29.1	177.6	-64.5	157.8	-173	0	0	111.8	K435 L436	K435-E438 HydrophobicContact CB-CG 4.09Å; K435-E438 WeakPolarHBondContact CB-OE1 3.46Å; K435-E438 WeakPolarHBondContact CD-OE1 3.4Å; K435-E438 WeakPolarHBondContact CG-OE1 3.41Å; K435-E438 PolarHBondContact N-OE2 2.98Å; K435-E438 WeakPolarHBondContact O-CB 3.32Å; K435-E438 PolarHBondContact O-N 2.81Å; L436-E438 PolarHBondContact O-N 2.82Å; L436-E438 VanDerWaalsContact O-N 3.13Å
439	V	98.1	Very high	98.2	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.03	24%	0.241	C	C	.	.	H	α-helix	trans	-115.9	-12.2	-172.5	-61.5	0	0	0	0	114.8	V391 Y414 V434 L436 R441 Q442 V443	V391-V439 HydrophobicContact CB-CG2 4.17Å; V391-V439 HydrophobicContact CG1-CG2 4.48Å; V391-V439 HydrophobicContact CG2-CG2 4.12Å; Y414-V439 HydrophobicContact CD1-CG1 4.38Å; Y414-V439 HydrophobicContact CD2-CG1 4.45Å; Y414-V439 HydrophobicContact CG-CG1 4.33Å; V434-V439 HydrophobicContact CB-CG1 4.13Å; V434-V439 HydrophobicContact CG1-CG1 3.99Å; V434-V439 HydrophobicContact CG2-CG1 3.93Å; V434-V439 HydrophobicContact CG2-CG2 3.82Å; L436-V439 PolarHBondContact O-N 2.94Å; L436-V439 VanDerWaalsContact O-N 3.11Å; V439-R441 PolarHBondContact O-N 3.26Å; V439-Q442 HydrophobicContact CB-CG 4.38Å; V439-Q442 WeakPolarHBondContact O-CG 3.4Å; V439-Q442 PolarHBondContact O-N 3.11Å; V439-V443 HydrophobicContact CB-CG1 4.04Å; V439-V443 HydrophobicContact CG2-CG1 4.08Å; V439-V443 PolarHBondContact O-N 2.86Å
440	I	98.3	Very high	98	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.2	-172.9	-165.2	63.3	0	0	0	114.6	L436 V446 H460 R463 M464	L436-I440 HydrophobicContact CD1-CD1 3.98Å; L436-I440 HydrophobicContact CG-CD1 4.19Å; L436-I440 WeakPolarHBondContact O-CB 2.92Å; L436-I440 PolarHBondContact O-N 3.47Å; I440-V446 HydrophobicContact CD1-CG2 4.23Å; I440-H460 HydrophobicContact CD1-CB 4.09Å; I440-H460 HydrophobicContact CG1-CB 4.09Å; I440-H460 VanDerWaalsContact CG1-O 3.27Å; I440-H460 WeakPolarHBondContact CG1-O 3.29Å; I440-R463 HydrophobicContact CG2-CB 4.14Å; I440-M464 HydrophobicContact CD1-CE 3.71Å; I440-M464 HydrophobicContact CD1-CG 3.58Å; I440-M464 HydrophobicContact CD1-SD 4.39Å; I440-M464 HydrophobicContact CG1-CG 3.84Å
441	R	98.3	Very high	97.5	Very high	185 Å²	185	49.3 Å²	49.3	70%	0.698	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-15.6	179.6	-76.6	179.2	173.6	-179.5	0.6	114.6	V439 R463	V439-R441 PolarHBondContact O-N 3.26Å; R441-R463 VanDerWaalsContact CG-O 3.25Å; R441-R463 WeakPolarHBondContact CG-O 3.23Å
442	Q	97.2	Very high	97	Very high	84 Å²	84	52.7 Å²	52.7	39%	0.393	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-23	-171.4	60.3	177.2	51.6	0	0	114.7	V439 K465	V439-Q442 HydrophobicContact CB-CG 4.38Å; V439-Q442 WeakPolarHBondContact O-CG 3.4Å; V439-Q442 PolarHBondContact O-N 3.11Å; Q442-K465 PolarHBondContact O-NZ 2.82Å
443	V	98.4	Very high	96.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.26	C	S	.	.			trans	-63.9	146.8	178.7	-68.6	0	0	0	0	112.9	Q389 V391 Y414 V439 V446 K465	Q389-V443 HydrophobicContact CB-CG1 4.34Å; V391-V443 HydrophobicContact CB-CG1 4.06Å; V391-V443 HydrophobicContact CG1-CB 4.31Å; V391-V443 HydrophobicContact CG1-CG1 3.96Å; V391-V443 HydrophobicContact CG1-CG2 4.06Å; Y414-V443 HydrophobicContact CD2-CG1 4.12Å; Y414-V443 HydrophobicContact CE2-CG1 4.4Å; V439-V443 HydrophobicContact CB-CG1 4.04Å; V439-V443 HydrophobicContact CG2-CG1 4.08Å; V439-V443 PolarHBondContact O-N 2.86Å; V443-V446 HydrophobicContact CG2-CG2 3.75Å; V443-K465 WeakPolarHBondContact O-CD 3.33Å; V443-K465 WeakPolarHBondContact O-CE 3.19Å
444	D	98.8	Very high	96.5	Very high	36 Å²	36	52.6 Å²	52.6	19%	0.193	27%	0.265	C	S	.	.	S	Bend	trans	-89.9	-31.5	172.9	-60.3	-80.2	0	0	0	112.5	K388 Q389 K465 C468 I469	K388-D444 HydrophobicContact CB-CB 4.08Å; K388-D444 HydrophobicContact CD-CB 3.71Å; K388-D444 VanDerWaalsContact CD-CG 3.45Å; K388-D444 HydrophobicContact CG-CB 4.37Å; Q389-D444 PolarHBondContact N-OD2 2.95Å; Q389-D444 PolarHBondContact O-N 3.4Å; D444-K465 VanDerWaalsContact OD1-CE 3.29Å; D444-K465 WeakPolarHBondContact OD1-CE 3.37Å; D444-K465 IonicContact OD1-NZ 3.84Å; D444-K465 PolarHBondContact OD1-NZ 3.25Å; D444-K465 IonicContact OD2-NZ 2.65Å; D444-K465 PolarHBondContact OD2-NZ 3.03Å; D444-C468 WeakPolarHBondContact O-CA 3.25Å; D444-I469 PolarHBondContact O-N 3.44Å
445	I	98.8	Very high	96.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.5	-176.6	-44.6	-178	0	0	0	109.7	L377 V383 Q389 V390 V391 I447 I469	L377-I445 HydrophobicContact CD1-CD1 4.4Å; L377-I445 HydrophobicContact CD2-CG2 4.29Å; V383-I445 HydrophobicContact CG1-CD1 4.24Å; Q389-I445 PolarHBondContact O-N 3.42Å; V390-I445 WeakPolarHBondContact CA-O 3.4Å; V390-I445 HydrophobicContact CB-CB 4.39Å; V390-I445 HydrophobicContact CG1-CB 3.95Å; V390-I445 HydrophobicContact CG1-CG2 4.3Å; V390-I445 HydrophobicContact CG2-CB 4.01Å; V390-I445 HydrophobicContact CG2-CD1 4.1Å; V390-I445 HydrophobicContact CG2-CG1 4.19Å; V391-I445 PolarHBondContact N-O 3.25Å; I445-I447 HydrophobicContact CG2-CD1 4.22Å; I445-I447 HydrophobicContact CG2-CG1 3.86Å; I445-I469 CarbonylContact C-O 3.57Å; I445-I469 VanDerWaalsContact CA-O 3.32Å; I445-I469 WeakPolarHBondContact CA-O 3.39Å; I445-I469 HydrophobicContact CD1-CD1 4.46Å; I445-I469 HydrophobicContact CG1-CB 4.31Å; I445-I469 HydrophobicContact CG1-CD1 4.3Å; I445-I469 HydrophobicContact CG2-CB 4.19Å; I445-I469 HydrophobicContact CG2-CG2 4.25Å
446	V	98.8	Very high	96.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124	174.9	179	0	0	0	0	108.7	V391 I440 V443 V456 M464 I469 V470 C471	V391-V446 HydrophobicContact CG1-CB 4.24Å; V391-V446 HydrophobicContact CG1-CG1 4.2Å; V391-V446 HydrophobicContact CG1-CG2 3.8Å; I440-V446 HydrophobicContact CD1-CG2 4.23Å; V443-V446 HydrophobicContact CG2-CG2 3.75Å; V446-V456 HydrophobicContact CG1-CG2 3.85Å; V446-M464 HydrophobicContact CB-CE 4.44Å; V446-M464 HydrophobicContact CG1-CE 4.48Å; V446-M464 HydrophobicContact CG2-CE 4.05Å; V446-M464 HydrophobicContact CG2-SD 4.36Å; V446-I469 PolarHBondContact N-O 2.97Å; V446-V470 HydrophobicContact CB-CG1 4.43Å; V446-V470 HydrophobicContact CB-CG2 4.43Å; V446-V470 WeakPolarHBondContact O-CA 3.31Å; V446-C471 PolarHBondContact O-N 2.79Å
447	I	98.7	Very high	96.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.3	-175.1	-47.9	173.7	0	0	0	109.1	I373 L377 V390 V391 V392 C393 L406 I445 C471 M473	I373-I447 HydrophobicContact CD1-CD1 4.01Å; I373-I447 HydrophobicContact CD1-CG2 4.25Å; I373-I447 HydrophobicContact CG1-CD1 4.23Å; L377-I447 HydrophobicContact CD1-CD1 4.48Å; V390-I447 HydrophobicContact CG1-CD1 3.63Å; V390-I447 HydrophobicContact CG1-CG1 4.09Å; V391-I447 PolarHBondContact O-N 2.82Å; V392-I447 WeakPolarHBondContact CA-O 3.47Å; V392-I447 HydrophobicContact CG2-CB 4.44Å; V392-I447 HydrophobicContact CG2-CD1 4.25Å; C393-I447 PolarHBondContact N-O 3.09Å; L406-I447 HydrophobicContact CD1-CD1 3.36Å; I445-I447 HydrophobicContact CG2-CD1 4.22Å; I445-I447 HydrophobicContact CG2-CG1 3.86Å; I447-C471 WeakPolarHBondContact CA-O 3.24Å; I447-M473 HydrophobicContact CG2-CB 4.35Å; I447-M473 HydrophobicContact CG2-CG 3.9Å
448	T	98.5	Very high	96.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.6	175.2	55.5	0	0	0	0	111.7	V455 V456 C471 N472 M473 G474 E479 I480	T448-V455 HydrophobicContact CG2-CB 4.1Å; T448-V455 HydrophobicContact CG2-CG1 4.06Å; T448-V456 HydrophobicContact CG2-CG2 3.56Å; T448-C471 PolarHBondContact N-O 3.41Å; T448-C471 VanDerWaalsContact N-O 3.08Å; T448-N472 PolarHBondContact O-OD1 3.16Å; T448-N472 WeakPolarHBondContact OG1-CA 3.22Å; T448-N472 WeakPolarHBondContact OG1-CB 3.42Å; T448-N472 VanDerWaalsContact OG1-CG 3.24Å; T448-N472 PolarHBondContact OG1-OD1 2.95Å; T448-M473 PolarHBondContact O-N 3.15Å; T448-G474 PolarHBondContact O-N 3.12Å; T448-G474 VanDerWaalsContact O-N 3.16Å; T448-E479 WeakPolarHBondContact CB-OE2 3.43Å; T448-E479 HydrophobicContact CG2-CB 4.09Å; T448-I480 HydrophobicContact CG2-CG1 4.11Å
449	C	96.3	Very high	96.4	Very high	11 Å²	11	46.2 Å²	46.2	7%	0.074	24%	0.236	C	C	.	.			trans	-142	28.8	-173.7	-58.9	0	0	0	0	112	V392 C393 V398 E479	V392-C449 HydrophobicContact CG1-CB 4.31Å; C393-C449 CarbonylContact O-C 3.43Å; C393-C449 WeakPolarHBondContact O-CA 3.33Å; C393-C449 WeakPolarHBondContact O-CB 3.43Å; C393-C449 PolarHBondContact O-N 3.5Å; V398-C449 HydrophobicContact CB-CB 4.37Å; V398-C449 HydrophobicContact CG1-CB 3.95Å; C449-E479 PolarHBondContact N-OE2 3.04Å
450	T	93.6	Very high	96.4	Very high	54 Å²	54	47 Å²	47	33%	0.331	24%	0.24	S	C	.	.	S	Bend	trans	-98.1	-23.3	-164.1	68.5	0	0	0	0	115.3	C393 N452 V455 E479	C393-T450 HydrophobicContact CB-CG2 4.12Å; C393-T450 WeakPolarHBondContact O-CG2 3.42Å; T450-N452 PolarHBondContact O-N 2.77Å; T450-N452 WeakPolarHBondContact OG1-CB 3.43Å; T450-N452 PolarHBondContact OG1-N 2.91Å; T450-N452 PolarHBondContact OG1-O 2.83Å; T450-V455 HydrophobicContact CG2-CG1 4.25Å; T450-V455 HydrophobicContact CG2-CG2 3.87Å; T450-V455 VanDerWaalsContact OG1-CG2 3.31Å; T450-V455 WeakPolarHBondContact OG1-CG2 3.47Å; T450-E479 WeakPolarHBondContact CB-OE2 3.36Å; T450-E479 PolarHBondContact N-OE1 3.19Å; T450-E479 PolarHBondContact N-OE2 3.41Å; T450-E479 VanDerWaalsContact OG1-CD 3.29Å; T450-E479 PolarHBondContact OG1-OE2 3.06Å
451	G	86.8	Confident	96.4	Very high	59 Å²	59	47.1 Å²	47.1	61%	0.608	24%	0.24	S	C	*	.	S	Bend	trans	70.5	14.5	-165.6	0	0	0	0	0	114	E479	G451-E479 VanDerWaalsContact CA-OE1 3.22Å; G451-E479 WeakPolarHBondContact CA-OE1 3.48Å; G451-E479 PolarHBondContact N-OE1 2.6Å
452	N	89.6	Confident	96.4	Very high	89 Å²	89	41.5 Å²	41.5	48%	0.476	22%	0.224	S	C	.	.			trans	-131.4	154	-170.6	-167.6	14.2	0	0	0	112.2	T450 V455 E479	T450-N452 PolarHBondContact O-N 2.77Å; T450-N452 WeakPolarHBondContact OG1-CB 3.43Å; T450-N452 PolarHBondContact OG1-N 2.91Å; T450-N452 PolarHBondContact OG1-O 2.83Å; N452-V455 WeakPolarHBondContact O-CG2 3.25Å; N452-E479 WeakPolarHBondContact O-CA 3.36Å; N452-E479 WeakPolarHBondContact O-CB 3.46Å; N452-E479 WeakPolarHBondContact O-CG 3.3Å
453	K	90.3	Very high	96.4	Very high	142 Å²	142	40.6 Å²	40.6	62%	0.617	22%	0.217	S	C	*	.	S	Bend	trans	-83.9	156.5	-174.8	66.7	178.9	179.9	177.4	0	113.4	V455 T478	K453-V455 VanDerWaalsContact C-N 3.33Å; K453-V455 PolarHBondContact O-N 3.08Å; K453-T478 CarbonylContact C-O 3.54Å; K453-T478 VanDerWaalsContact CA-O 3.28Å; K453-T478 WeakPolarHBondContact CA-O 3.29Å
454	N	94.4	Very high	96.4	Very high	90 Å²	90	40.9 Å²	40.9	48%	0.481	22%	0.218	S	C	.	.			trans	58.3	37.4	169.7	-58.8	32.9	0	0	0	114.1	V457 T478	N454-V457 HydrophobicContact CB-CG1 3.93Å; N454-T478 PolarHBondContact N-O 2.71Å
455	V	97.3	Very high	96.3	Very high	28 Å²	28	42.2 Å²	42.2	17%	0.17	22%	0.222	C	C	.	.	S	Bend	trans	-71.1	-41.5	173.6	-175.1	0	0	0	0	110.5	C393 T448 T450 N452 K453 H460 E479	C393-V455 HydrophobicContact CB-CG1 3.59Å; T448-V455 HydrophobicContact CG2-CB 4.1Å; T448-V455 HydrophobicContact CG2-CG1 4.06Å; T450-V455 HydrophobicContact CG2-CG1 4.25Å; T450-V455 HydrophobicContact CG2-CG2 3.87Å; T450-V455 VanDerWaalsContact OG1-CG2 3.31Å; T450-V455 WeakPolarHBondContact OG1-CG2 3.47Å; N452-V455 WeakPolarHBondContact O-CG2 3.25Å; K453-V455 VanDerWaalsContact C-N 3.33Å; K453-V455 PolarHBondContact O-N 3.08Å; V455-H460 PolarHBondContact O-CE1 2.89Å; V455-H460 PolarHBondContact O-ND1 3.32Å; V455-E479 WeakPolarHBondContact CA-O 3.38Å; V455-E479 WeakPolarHBondContact CB-O 3.35Å; V455-E479 HydrophobicContact CG2-CB 4.19Å; V455-E479 PolarHBondContact N-O 3.07Å
456	V	98.3	Very high	96.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-116.6	91.3	178	-178.3	0	0	0	0	108.9	L436 V446 T448 H460 L461 M464 V470 E479 I480 D481	L436-V456 HydrophobicContact CD2-CG2 4.14Å; V446-V456 HydrophobicContact CG1-CG2 3.85Å; T448-V456 HydrophobicContact CG2-CG2 3.56Å; V456-H460 HydrophobicContact CG1-CB 4.33Å; V456-L461 HydrophobicContact CG1-CD1 4.11Å; V456-L461 HydrophobicContact CG1-CD2 4.08Å; V456-L461 HydrophobicContact CG1-CG 3.84Å; V456-M464 HydrophobicContact CG1-CE 3.65Å; V456-V470 HydrophobicContact CG1-CG1 4.48Å; V456-E479 PolarHBondContact N-O 2.88Å; V456-I480 HydrophobicContact CB-CB 4.48Å; V456-I480 HydrophobicContact CB-CG1 4.19Å; V456-I480 HydrophobicContact CB-CG2 4.36Å; V456-I480 HydrophobicContact CG1-CG2 4.37Å; V456-D481 PolarHBondContact O-N 3.12Å
457	V	98.3	Very high	96.2	Very high	39 Å²	39	48.2 Å²	48.2	24%	0.236	26%	0.261	C	S	.	.			trans	-87.6	167.1	178.2	-64	0	0	0	0	112.6	N454 E459 H460 L461	N454-V457 HydrophobicContact CB-CG1 3.93Å; V457-E459 HydrophobicContact CG2-CB 4.3Å; V457-E459 PolarHBondContact O-N 2.8Å; V457-E459 VanDerWaalsContact O-N 3.13Å; V457-H460 WeakPolarHBondContact O-CB 3.49Å; V457-H460 PolarHBondContact O-N 3.35Å; V457-L461 PolarHBondContact O-N 3.24Å
458	R	97.4	Very high	96.2	Very high	51 Å²	51	48.2 Å²	48.2	19%	0.192	26%	0.261	C	S	.	.	H	α-helix	trans	-44	-45.8	177.2	-172.6	60	-170.7	-110.9	-4.3	113.5	H460 L461 D462 S484 T487 E489	R458-H460 VanDerWaalsContact C-N 3.29Å; R458-H460 PolarHBondContact O-N 2.58Å; R458-L461 CarbonylContact O-C 3.6Å; R458-L461 WeakPolarHBondContact O-CB 3.08Å; R458-L461 PolarHBondContact O-N 3.33Å; R458-L461 VanDerWaalsContact O-N 3.07Å; R458-D462 WeakPolarHBondContact CG-OD2 3.49Å; R458-D462 IonicContact CZ-OD1 3.53Å; R458-D462 IonicContact NE-OD1 3.31Å; R458-D462 PolarHBondContact NE-OD1 3.41Å; R458-D462 IonicContact NE-OD2 2.93Å; R458-D462 PolarHBondContact NE-OD2 2.95Å; R458-D462 IonicContact NH2-OD1 2.8Å; R458-D462 WeakPolarHBondContact O-CB 3.34Å; R458-D462 PolarHBondContact O-N 2.79Å; R458-S484 WeakPolarHBondContact CB-OG 3.33Å; R458-S484 PolarHBondContact NH1-O 2.71Å; R458-T487 PolarHBondContact NH1-OG1 3.2Å; R458-E489 IonicContact CZ-OE1 3.21Å; R458-E489 IonicContact NH1-OE1 2.71Å; R458-E489 PolarHBondContact NH1-OE1 2.83Å; R458-E489 IonicContact NH2-OE1 3.42Å; R458-E489 PolarHBondContact NH2-OE1 2.72Å
459	E	98.2	Very high	96.2	Very high	98 Å²	98	48.8 Å²	48.8	46%	0.458	26%	0.264	S	S	.	.	H	α-helix	trans	-59.5	-36.6	179.9	-159.2	-136	129.2	0	0	113.1	V457 R463	V457-E459 HydrophobicContact CG2-CB 4.3Å; V457-E459 PolarHBondContact O-N 2.8Å; V457-E459 VanDerWaalsContact O-N 3.13Å; E459-R463 WeakPolarHBondContact O-CB 3.39Å; E459-R463 VanDerWaalsContact O-CD 3.31Å; E459-R463 WeakPolarHBondContact O-CD 3.39Å; E459-R463 WeakPolarHBondContact O-CG 3.46Å; E459-R463 PolarHBondContact O-N 3.33Å; E459-R463 VanDerWaalsContact OE1-CD 3.22Å; E459-R463 WeakPolarHBondContact OE1-CD 3.39Å; E459-R463 IonicContact OE1-CZ 2.67Å; E459-R463 IonicContact OE1-NE 2.98Å; E459-R463 IonicContact OE1-NH1 2.71Å; E459-R463 PolarHBondContact OE1-NH1 2.86Å
460	H	98.6	Very high	96.3	Very high	22 Å²	22	48.2 Å²	48.2	10%	0.102	26%	0.261	C	S	.	.	H	α-helix	trans	-67.8	-45.1	175.1	-60.9	158.6	0	0	0	110.5	L436 N437 I440 V455 V456 V457 R458 R463 M464	L436-H460 WeakPolarHBondContact CD2-ND1 3.45Å; N437-H460 PolarHBondContact ND2-NE2 2.71Å; N437-H460 PolarHBondContact OD1-CD2 2.83Å; I440-H460 HydrophobicContact CD1-CB 4.09Å; I440-H460 HydrophobicContact CG1-CB 4.09Å; I440-H460 VanDerWaalsContact CG1-O 3.27Å; I440-H460 WeakPolarHBondContact CG1-O 3.29Å; V455-H460 PolarHBondContact O-CE1 2.89Å; V455-H460 PolarHBondContact O-ND1 3.32Å; V456-H460 HydrophobicContact CG1-CB 4.33Å; V457-H460 WeakPolarHBondContact O-CB 3.49Å; V457-H460 PolarHBondContact O-N 3.35Å; R458-H460 VanDerWaalsContact C-N 3.29Å; R458-H460 PolarHBondContact O-N 2.58Å; H460-R463 CarbonylContact O-C 3.52Å; H460-R463 PolarHBondContact O-N 3.07Å; H460-R463 VanDerWaalsContact O-N 3.17Å; H460-M464 WeakPolarHBondContact O-CG 3.37Å; H460-M464 PolarHBondContact O-N 3.25Å; H460-M464 VanDerWaalsContact O-N 3.08Å
461	L	98	Very high	96.5	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-67	-38.8	-179.7	-68	148.2	0	0	0	112.6	V456 V457 R458 R463 M464 V470 I480 L485 W504 K508 I510	V456-L461 HydrophobicContact CG1-CD1 4.11Å; V456-L461 HydrophobicContact CG1-CD2 4.08Å; V456-L461 HydrophobicContact CG1-CG 3.84Å; V457-L461 PolarHBondContact O-N 3.24Å; R458-L461 CarbonylContact O-C 3.6Å; R458-L461 WeakPolarHBondContact O-CB 3.08Å; R458-L461 PolarHBondContact O-N 3.33Å; R458-L461 VanDerWaalsContact O-N 3.07Å; L461-R463 PolarHBondContact O-N 2.77Å; L461-M464 HydrophobicContact CD2-CE 3.58Å; L461-M464 HydrophobicContact CD2-SD 4.08Å; L461-M464 HydrophobicContact CG-CE 3.95Å; L461-M464 PolarHBondContact O-N 3.27Å; L461-V470 HydrophobicContact CD2-CG2 4.24Å; L461-I480 HydrophobicContact CD1-CG2 4.49Å; L461-L485 HydrophobicContact CB-CD2 4.42Å; L461-L485 HydrophobicContact CD1-CD1 4Å; L461-L485 HydrophobicContact CD1-CD2 4.16Å; L461-L485 HydrophobicContact CD1-CG 4.27Å; L461-L485 HydrophobicContact CD2-CD1 4.42Å; L461-W504 HydrophobicContact CB-CH2 4.29Å; L461-W504 HydrophobicContact CB-CZ2 4.22Å; L461-K508 PolarHBondContact O-NZ 2.97Å; L461-I510 HydrophobicContact CD2-CG2 4.43Å
462	D	97.5	Very high	97	Very high	67 Å²	67	42.9 Å²	42.9	36%	0.358	22%	0.216	S	C	.	.	H	α-helix	trans	-59.6	-35.7	172.1	-73	-27.1	0	0	0	111.1	R458 W504 K508	R458-D462 WeakPolarHBondContact CG-OD2 3.49Å; R458-D462 IonicContact CZ-OD1 3.53Å; R458-D462 IonicContact NE-OD1 3.31Å; R458-D462 PolarHBondContact NE-OD1 3.41Å; R458-D462 IonicContact NE-OD2 2.93Å; R458-D462 PolarHBondContact NE-OD2 2.95Å; R458-D462 IonicContact NH2-OD1 2.8Å; R458-D462 WeakPolarHBondContact O-CB 3.34Å; R458-D462 PolarHBondContact O-N 2.79Å; D462-W504 PolarHBondContact OD1-NE1 3.5Å; D462-K508 VanDerWaalsContact C-NZ 3.31Å; D462-K508 VanDerWaalsContact CA-NZ 3.31Å; D462-K508 PolarHBondContact O-NZ 3.46Å
463	R	97.9	Very high	97.2	Very high	65 Å²	65	39 Å²	39	25%	0.245	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-3.9	-177.6	-69.5	170.9	51.2	-169.6	-13	115.9	N437 I440 R441 E459 H460 L461	N437-R463 PolarHBondContact O-NH2 2.86Å; N437-R463 PolarHBondContact OD1-NH1 2.77Å; N437-R463 PolarHBondContact OD1-NH2 3.03Å; I440-R463 HydrophobicContact CG2-CB 4.14Å; R441-R463 VanDerWaalsContact CG-O 3.25Å; R441-R463 WeakPolarHBondContact CG-O 3.23Å; E459-R463 WeakPolarHBondContact O-CB 3.39Å; E459-R463 VanDerWaalsContact O-CD 3.31Å; E459-R463 WeakPolarHBondContact O-CD 3.39Å; E459-R463 WeakPolarHBondContact O-CG 3.46Å; E459-R463 PolarHBondContact O-N 3.33Å; E459-R463 VanDerWaalsContact OE1-CD 3.22Å; E459-R463 WeakPolarHBondContact OE1-CD 3.39Å; E459-R463 IonicContact OE1-CZ 2.67Å; E459-R463 IonicContact OE1-NE 2.98Å; E459-R463 IonicContact OE1-NH1 2.71Å; E459-R463 PolarHBondContact OE1-NH1 2.86Å; H460-R463 CarbonylContact O-C 3.52Å; H460-R463 PolarHBondContact O-N 3.07Å; H460-R463 VanDerWaalsContact O-N 3.17Å; L461-R463 PolarHBondContact O-N 2.77Å
464	M	98.2	Very high	96.9	Very high	7 Å²	7	32.4 Å²	32.4	3%	0.034	17%	0.168	C	C	.	.	S	Bend	trans	-68.4	157.8	175	-75.5	179.1	-156.9	0	0	112	I440 V446 V456 H460 L461 C468 V470 K508 I510	I440-M464 HydrophobicContact CD1-CE 3.71Å; I440-M464 HydrophobicContact CD1-CG 3.58Å; I440-M464 HydrophobicContact CD1-SD 4.39Å; I440-M464 HydrophobicContact CG1-CG 3.84Å; V446-M464 HydrophobicContact CB-CE 4.44Å; V446-M464 HydrophobicContact CG1-CE 4.48Å; V446-M464 HydrophobicContact CG2-CE 4.05Å; V446-M464 HydrophobicContact CG2-SD 4.36Å; V456-M464 HydrophobicContact CG1-CE 3.65Å; H460-M464 WeakPolarHBondContact O-CG 3.37Å; H460-M464 PolarHBondContact O-N 3.25Å; H460-M464 VanDerWaalsContact O-N 3.08Å; L461-M464 HydrophobicContact CD2-CE 3.58Å; L461-M464 HydrophobicContact CD2-SD 4.08Å; L461-M464 HydrophobicContact CG-CE 3.95Å; L461-M464 PolarHBondContact O-N 3.27Å; M464-C468 HydrophobicContact CB-CB 4.12Å; M464-C468 HydrophobicContact SD-CB 4.2Å; M464-V470 HydrophobicContact CE-CG1 4.48Å; M464-V470 HydrophobicContact CE-CG2 3.68Å; M464-V470 HydrophobicContact SD-CG2 3.44Å; M464-V470 WeakPolarHBondContact SD-CG2 3.46Å; M464-K508 WeakPolarHBondContact O-CD 3.32Å; M464-I510 HydrophobicContact CB-CD1 3.52Å; M464-I510 HydrophobicContact CG-CD1 4.39Å; M464-I510 HydrophobicContact SD-CD1 4.01Å; M464-I510 HydrophobicContact SD-CG2 4.47Å
465	K	97.1	Very high	96	Very high	63 Å²	63	31.3 Å²	31.3	27%	0.274	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-77.8	156.6	172.8	75.7	-172.1	-169.2	-168.5	0	112.1	Q442 V443 D444 G467 C468	Q442-K465 PolarHBondContact O-NZ 2.82Å; V443-K465 WeakPolarHBondContact O-CD 3.33Å; V443-K465 WeakPolarHBondContact O-CE 3.19Å; D444-K465 VanDerWaalsContact OD1-CE 3.29Å; D444-K465 WeakPolarHBondContact OD1-CE 3.37Å; D444-K465 IonicContact OD1-NZ 3.84Å; D444-K465 PolarHBondContact OD1-NZ 3.25Å; D444-K465 IonicContact OD2-NZ 2.65Å; D444-K465 PolarHBondContact OD2-NZ 3.03Å; K465-G467 PolarHBondContact O-N 2.98Å; K465-C468 HydrophobicContact CG-CB 4.45Å; K465-C468 VanDerWaalsContact O-CB 3.29Å; K465-C468 WeakPolarHBondContact O-CB 3.35Å; K465-C468 PolarHBondContact O-N 3.34Å
466	N	98.3	Very high	94.8	Very high	96 Å²	96	32 Å²	32	51%	0.513	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	132.2	174.7	-171.8	15.7	0	0	0	111.3	K508 R509	N466-K508 HydrophobicContact CB-CG 4.26Å; N466-R509 WeakPolarHBondContact OD1-CB 3.22Å; N466-R509 PolarHBondContact OD1-N 3.21Å; N466-R509 PolarHBondContact OD1-O 2.96Å
467	G	97.5	Very high	94	Very high	30 Å²	30	36 Å²	36	31%	0.309	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	6.8	-178.6	0	0	0	0	0	115.4	K465 R509	K465-G467 PolarHBondContact O-N 2.98Å; G467-R509 PolarHBondContact N-O 3.22Å
468	C	98.6	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	135.3	174.6	-170.6	0	0	0	0	111.1	D444 M464 K465 I510 V511	D444-C468 WeakPolarHBondContact O-CA 3.25Å; M464-C468 HydrophobicContact CB-CB 4.12Å; M464-C468 HydrophobicContact SD-CB 4.2Å; K465-C468 HydrophobicContact CG-CB 4.45Å; K465-C468 VanDerWaalsContact O-CB 3.29Å; K465-C468 WeakPolarHBondContact O-CB 3.35Å; K465-C468 PolarHBondContact O-N 3.34Å; C468-I510 HydrophobicContact CB-CD1 3.9Å; C468-V511 PolarHBondContact O-N 3.12Å
469	I	98.8	Very high	93.4	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.062	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.9	176.3	-60.2	163.8	0	0	0	109	L377 T381 V383 D444 I445 V446 V511 L513	L377-I469 HydrophobicContact CD2-CG2 4.07Å; T381-I469 HydrophobicContact CG2-CD1 3.93Å; T381-I469 HydrophobicContact CG2-CG1 4.25Å; T381-I469 HydrophobicContact CG2-CG2 4.23Å; V383-I469 HydrophobicContact CB-CD1 4.03Å; V383-I469 HydrophobicContact CG1-CD1 4.1Å; V383-I469 HydrophobicContact CG2-CD1 4.05Å; D444-I469 PolarHBondContact O-N 3.44Å; I445-I469 CarbonylContact C-O 3.57Å; I445-I469 VanDerWaalsContact CA-O 3.32Å; I445-I469 WeakPolarHBondContact CA-O 3.39Å; I445-I469 HydrophobicContact CD1-CD1 4.46Å; I445-I469 HydrophobicContact CG1-CB 4.31Å; I445-I469 HydrophobicContact CG1-CD1 4.3Å; I445-I469 HydrophobicContact CG2-CB 4.19Å; I445-I469 HydrophobicContact CG2-CG2 4.25Å; V446-I469 PolarHBondContact N-O 2.97Å; I469-V511 WeakPolarHBondContact CA-O 3.36Å; I469-V511 HydrophobicContact CG1-CB 4.14Å; I469-V511 HydrophobicContact CG1-CG2 4.44Å; I469-L513 HydrophobicContact CG2-CD1 3.86Å; I469-L513 HydrophobicContact CG2-CG 4.11Å
470	V	98.6	Very high	93.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.4	179.9	-170.6	0	0	0	0	109.5	V446 V456 L461 M464 I480 I510 V511 L512 L513	V446-V470 HydrophobicContact CB-CG1 4.43Å; V446-V470 HydrophobicContact CB-CG2 4.43Å; V446-V470 WeakPolarHBondContact O-CA 3.31Å; V456-V470 HydrophobicContact CG1-CG1 4.48Å; L461-V470 HydrophobicContact CD2-CG2 4.24Å; M464-V470 HydrophobicContact CE-CG1 4.48Å; M464-V470 HydrophobicContact CE-CG2 3.68Å; M464-V470 HydrophobicContact SD-CG2 3.44Å; M464-V470 WeakPolarHBondContact SD-CG2 3.46Å; V470-I480 HydrophobicContact CG1-CD1 3.84Å; V470-I480 HydrophobicContact CG1-CG1 4.28Å; V470-I480 HydrophobicContact CG1-CG2 4.48Å; V470-I510 HydrophobicContact CB-CG2 4.42Å; V470-I510 HydrophobicContact CG2-CG2 3.57Å; V470-V511 PolarHBondContact N-O 3.3Å; V470-L512 HydrophobicContact CB-CD1 4.36Å; V470-L512 HydrophobicContact CG1-CD1 4.47Å; V470-L513 PolarHBondContact O-N 2.98Å
471	C	97.8	Very high	93.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	165.6	-179.5	64.3	0	0	0	0	112.8	V446 I447 T448 L513 L519	V446-C471 PolarHBondContact O-N 2.79Å; I447-C471 WeakPolarHBondContact CA-O 3.24Å; T448-C471 PolarHBondContact N-O 3.41Å; T448-C471 VanDerWaalsContact N-O 3.08Å; C471-L513 HydrophobicContact CB-CB 3.89Å; C471-L513 HydrophobicContact CB-CD1 3.89Å; C471-L513 HydrophobicContact CB-CG 4.1Å; C471-L519 HydrophobicContact CB-CD1 4.24Å; C471-L519 HydrophobicContact CB-CD2 4.2Å
472	N	96	Very high	93.2	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.9	-177.1	-173.8	19.6	0	0	0	110.8	T448 G474 S476 I480 G516 L519	T448-N472 PolarHBondContact O-OD1 3.16Å; T448-N472 WeakPolarHBondContact OG1-CA 3.22Å; T448-N472 WeakPolarHBondContact OG1-CB 3.42Å; T448-N472 VanDerWaalsContact OG1-CG 3.24Å; T448-N472 PolarHBondContact OG1-OD1 2.95Å; N472-G474 PolarHBondContact OD1-N 2.93Å; N472-S476 PolarHBondContact ND2-O 3.37Å; N472-I480 HydrophobicContact CB-CD1 4.02Å; N472-G516 VanDerWaalsContact CB-O 3.28Å; N472-G516 WeakPolarHBondContact CB-O 3.3Å; N472-G516 PolarHBondContact ND2-O 3.26Å; N472-L519 VanDerWaalsContact O-CB 3.32Å; N472-L519 WeakPolarHBondContact O-CB 3.46Å; N472-L519 PolarHBondContact O-N 2.88Å
473	M	93.7	Very high	93	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.03	19%	0.188	C	C	.	.			trans	-115.3	-5.3	172	-72.6	-71.9	-67.9	0	0	111.8	C369 I373 V398 I447 T448 L519 N520	C369-M473 HydrophobicContact CB-CE 3.81Å; I373-M473 HydrophobicContact CB-CE 4.17Å; I373-M473 HydrophobicContact CB-SD 4.47Å; I373-M473 HydrophobicContact CD1-CG 3.82Å; I373-M473 HydrophobicContact CD1-SD 3.99Å; V398-M473 HydrophobicContact CG1-CB 3.81Å; I447-M473 HydrophobicContact CG2-CB 4.35Å; I447-M473 HydrophobicContact CG2-CG 3.9Å; T448-M473 PolarHBondContact O-N 3.15Å; M473-L519 HydrophobicContact SD-CB 3.96Å; M473-L519 HydrophobicContact SD-CD2 4.31Å; M473-N520 HydrophobicContact CE-CB 3.99Å; M473-N520 HydrophobicContact SD-CB 4.01Å
474	G	85.1	Confident	93	Very high	5 Å²	5	30.5 Å²	30.5	5%	0.052	19%	0.185	C	C	.	.	S	Bend	trans	-78.3	169.6	169.4	0	0	0	0	0	112.6	T448 N472 E479 L518	T448-G474 PolarHBondContact O-N 3.12Å; T448-G474 VanDerWaalsContact O-N 3.16Å; N472-G474 PolarHBondContact OD1-N 2.93Å; G474-E479 WeakPolarHBondContact CA-OE1 3.33Å; G474-L518 WeakPolarHBondContact O-CG 3.22Å
475	H	74.1	Confident	92.9	Very high	67 Å²	67	30.2 Å²	30.2	31%	0.31	18%	0.184	S	C	.	.	S	Bend	trans	-75	-33.4	-164.3	-174.7	-13	0	0	0	114.3	S331 T333	S331-H475 WeakPolarHBondContact CB-NE2 3.45Å; T333-H475 VanDerWaalsContact CB-NE2 3.33Å; T333-H475 WeakPolarHBondContact CB-NE2 3.46Å; T333-H475 PolarHBondContact OG1-CD2 3.34Å; T333-H475 PolarHBondContact OG1-NE2 2.6Å
476	S	73.4	Confident	92.8	Very high	41 Å²	41	33.7 Å²	33.7	29%	0.287	20%	0.195	S	C	.	.	S	Bend	trans	-104.3	142.1	-176.3	179.6	0	0	0	0	111.2	N472 T478	N472-S476 PolarHBondContact ND2-O 3.37Å; S476-T478 PolarHBondContact O-N 3.23Å; S476-T478 PolarHBondContact OG-N 3.2Å; S476-T478 PolarHBondContact OG-OG1 3Å
477	N	81.6	Confident	92.7	Very high	84 Å²	84	31 Å²	31	45%	0.449	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	6.9	171.6	68.3	-33.5	0	0	0	114.6	G516 R517	N477-G516 WeakPolarHBondContact CA-O 3.22Å; N477-R517 HydrophobicContact CB-CG 3.98Å
478	T	87.6	Confident	92.6	Very high	62 Å²	62	36.2 Å²	36.2	38%	0.38	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-3	-177.8	59.7	0	0	0	0	114.4	K453 N454 S476 I480	K453-T478 CarbonylContact C-O 3.54Å; K453-T478 VanDerWaalsContact CA-O 3.28Å; K453-T478 WeakPolarHBondContact CA-O 3.29Å; N454-T478 PolarHBondContact N-O 2.71Å; S476-T478 PolarHBondContact O-N 3.23Å; S476-T478 PolarHBondContact OG-N 3.2Å; S476-T478 PolarHBondContact OG-OG1 3Å; T478-I480 PolarHBondContact O-N 2.93Å
479	E	94.9	Very high	92.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-66	-29	176.8	-45.7	-143.1	-175.3	0	0	112	T448 C449 T450 G451 N452 V455 V456 G474	T448-E479 WeakPolarHBondContact CB-OE2 3.43Å; T448-E479 HydrophobicContact CG2-CB 4.09Å; C449-E479 PolarHBondContact N-OE2 3.04Å; T450-E479 WeakPolarHBondContact CB-OE2 3.36Å; T450-E479 PolarHBondContact N-OE1 3.19Å; T450-E479 PolarHBondContact N-OE2 3.41Å; T450-E479 VanDerWaalsContact OG1-CD 3.29Å; T450-E479 PolarHBondContact OG1-OE2 3.06Å; G451-E479 VanDerWaalsContact CA-OE1 3.22Å; G451-E479 WeakPolarHBondContact CA-OE1 3.48Å; G451-E479 PolarHBondContact N-OE1 2.6Å; N452-E479 WeakPolarHBondContact O-CA 3.36Å; N452-E479 WeakPolarHBondContact O-CB 3.46Å; N452-E479 WeakPolarHBondContact O-CG 3.3Å; V455-E479 WeakPolarHBondContact CA-O 3.38Å; V455-E479 WeakPolarHBondContact CB-O 3.35Å; V455-E479 HydrophobicContact CG2-CB 4.19Å; V455-E479 PolarHBondContact N-O 3.07Å; V456-E479 PolarHBondContact N-O 2.88Å; G474-E479 WeakPolarHBondContact CA-OE1 3.33Å
480	I	97.3	Very high	92.5	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.015	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-109.5	132.7	174.9	-56.4	159.6	0	0	0	108.2	T448 V456 L461 V470 N472 T478 V482 L512	T448-I480 HydrophobicContact CG2-CG1 4.11Å; V456-I480 HydrophobicContact CB-CB 4.48Å; V456-I480 HydrophobicContact CB-CG1 4.19Å; V456-I480 HydrophobicContact CB-CG2 4.36Å; V456-I480 HydrophobicContact CG1-CG2 4.37Å; L461-I480 HydrophobicContact CD1-CG2 4.49Å; V470-I480 HydrophobicContact CG1-CD1 3.84Å; V470-I480 HydrophobicContact CG1-CG1 4.28Å; V470-I480 HydrophobicContact CG1-CG2 4.48Å; N472-I480 HydrophobicContact CB-CD1 4.02Å; T478-I480 PolarHBondContact O-N 2.93Å; I480-V482 HydrophobicContact CB-CG2 4.05Å; I480-V482 HydrophobicContact CG2-CG2 3.75Å; I480-V482 PolarHBondContact O-N 2.9Å; I480-L512 HydrophobicContact CD1-CD1 4.38Å
481	D	96.6	Very high	92.4	Very high	41 Å²	41	44 Å²	44	22%	0.219	25%	0.253	C	S	.	.			trans	-78.7	67.4	177.3	-170.6	-7.3	0	0	0	111.4	V456 A483 S484	V456-D481 PolarHBondContact O-N 3.12Å; D481-A483 PolarHBondContact O-N 3.39Å; D481-S484 VanDerWaalsContact CG-CB 3.42Å; D481-S484 PolarHBondContact O-N 3.03Å; D481-S484 PolarHBondContact O-OG 3.17Å; D481-S484 VanDerWaalsContact OD1-CB 3.28Å; D481-S484 WeakPolarHBondContact OD1-CB 3.44Å; D481-S484 PolarHBondContact OD1-N 2.93Å; D481-S484 PolarHBondContact OD1-OG 2.82Å; D481-S484 WeakPolarHBondContact OD2-CB 3.35Å
482	V	95.8	Very high	92.4	Very high	18 Å²	18	46.6 Å²	46.6	11%	0.109	26%	0.263	C	S	.	.			trans	-68	-25.9	179.5	-176.5	0	0	0	0	111.6	I480 S484 L485 W492 L512	I480-V482 HydrophobicContact CB-CG2 4.05Å; I480-V482 HydrophobicContact CG2-CG2 3.75Å; I480-V482 PolarHBondContact O-N 2.9Å; V482-S484 PolarHBondContact O-N 2.85Å; V482-L485 WeakPolarHBondContact O-CB 3.38Å; V482-L485 PolarHBondContact O-N 3.45Å; V482-L485 VanDerWaalsContact O-N 3.15Å; V482-W492 HydrophobicContact CG1-CH2 3.82Å; V482-W492 HydrophobicContact CG1-CZ2 4.29Å; V482-L512 HydrophobicContact CG1-CD2 3.91Å; V482-L512 HydrophobicContact CG2-CD2 4.01Å
483	A	94.9	Very high	92.5	Very high	80 Å²	80	51.2 Å²	51.2	66%	0.661	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-61.1	-43.2	174.4	0	0	0	0	0	111.6	D481 L485 R486	D481-A483 PolarHBondContact O-N 3.39Å; A483-L485 PolarHBondContact O-N 2.92Å; A483-R486 PolarHBondContact O-N 3.15Å; A483-R486 VanDerWaalsContact O-N 3.13Å
484	S	96.3	Very high	92.6	Very high	25 Å²	25	59.2 Å²	59.2	18%	0.175	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-62.3	-12.1	175.8	75.1	0	0	0	0	115.3	R458 D481 V482	R458-S484 WeakPolarHBondContact CB-OG 3.33Å; R458-S484 PolarHBondContact NH1-O 2.71Å; D481-S484 VanDerWaalsContact CG-CB 3.42Å; D481-S484 PolarHBondContact O-N 3.03Å; D481-S484 PolarHBondContact O-OG 3.17Å; D481-S484 VanDerWaalsContact OD1-CB 3.28Å; D481-S484 WeakPolarHBondContact OD1-CB 3.44Å; D481-S484 PolarHBondContact OD1-N 2.93Å; D481-S484 PolarHBondContact OD1-OG 2.82Å; D481-S484 WeakPolarHBondContact OD2-CB 3.35Å; V482-S484 PolarHBondContact O-N 2.85Å
485	L	96.3	Very high	92.9	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-95.4	-4.4	179.2	-60.1	174.8	0	0	0	113.1	L461 V482 A483 T487 L490 W492 I502 W504	L461-L485 HydrophobicContact CB-CD2 4.42Å; L461-L485 HydrophobicContact CD1-CD1 4Å; L461-L485 HydrophobicContact CD1-CD2 4.16Å; L461-L485 HydrophobicContact CD1-CG 4.27Å; L461-L485 HydrophobicContact CD2-CD1 4.42Å; V482-L485 WeakPolarHBondContact O-CB 3.38Å; V482-L485 PolarHBondContact O-N 3.45Å; V482-L485 VanDerWaalsContact O-N 3.15Å; A483-L485 PolarHBondContact O-N 2.92Å; L485-T487 VanDerWaalsContact C-N 3.26Å; L485-T487 PolarHBondContact O-N 3.4Å; L485-T487 VanDerWaalsContact O-N 3.16Å; L485-L490 HydrophobicContact CB-CD1 4.24Å; L485-L490 HydrophobicContact CD2-CD1 3.77Å; L485-W492 HydrophobicContact CB-CZ2 3.88Å; L485-W492 PolarHBondContact O-NE1 2.89Å; L485-I502 HydrophobicContact CB-CD1 4.3Å; L485-I502 HydrophobicContact CD1-CD1 3.56Å; L485-I502 HydrophobicContact CG-CD1 4.5Å; L485-W504 HydrophobicContact CD2-CH2 3.92Å; L485-W504 HydrophobicContact CD2-CZ2 4.01Å
486	R	95.7	Very high	93.7	Very high	135 Å²	135	64.4 Å²	64.4	51%	0.509	34%	0.337	S	S	.	.			trans	-88.3	58.4	177	-61.6	-60.9	-169.7	179.9	1	110.9	A483 W492 E515	A483-R486 PolarHBondContact O-N 3.15Å; A483-R486 VanDerWaalsContact O-N 3.13Å; R486-W492 VanDerWaalsContact CZ-CH2 3.4Å; R486-W492 VanDerWaalsContact NH1-CE2 3.32Å; R486-E515 IonicContact CZ-OE2 3.47Å; R486-E515 IonicContact NH2-OE2 3.74Å; R486-E515 PolarHBondContact NH2-OE2 3.31Å
487	T	96.3	Very high	94.3	Very high	40 Å²	40	65.7 Å²	65.7	25%	0.245	35%	0.346	C	S	.	.	S	Bend	trans	-118.8	150.6	-175.7	56.5	0	0	0	0	112.4	R458 L485 E489 L490	R458-T487 PolarHBondContact NH1-OG1 3.2Å; L485-T487 VanDerWaalsContact C-N 3.26Å; L485-T487 PolarHBondContact O-N 3.4Å; L485-T487 VanDerWaalsContact O-N 3.16Å; T487-E489 WeakPolarHBondContact CB-OE1 3.3Å; T487-E489 WeakPolarHBondContact CB-OE2 3.35Å; T487-E489 PolarHBondContact O-N 3.35Å; T487-E489 PolarHBondContact OG1-OE1 2.88Å; T487-E489 PolarHBondContact OG1-OE2 3.46Å; T487-L490 PolarHBondContact O-N 3.27Å; T487-L490 VanDerWaalsContact O-N 3.13Å
488	P	95.9	Very high	94.6	Very high	140 Å²	140	64.3 Å²	64.3	91%	0.909	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.3	-172.5	-23.3	35	0	0	0	115.6
489	E	96.1	Very high	95	Very high	84 Å²	84	61.6 Å²	61.6	39%	0.393	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.3	177.2	81.9	-64.4	159.1	0	0	114.3	R458 T487 P505	R458-E489 IonicContact CZ-OE1 3.21Å; R458-E489 IonicContact NH1-OE1 2.71Å; R458-E489 PolarHBondContact NH1-OE1 2.83Å; R458-E489 IonicContact NH2-OE1 3.42Å; R458-E489 PolarHBondContact NH2-OE1 2.72Å; T487-E489 WeakPolarHBondContact CB-OE1 3.3Å; T487-E489 WeakPolarHBondContact CB-OE2 3.35Å; T487-E489 PolarHBondContact O-N 3.35Å; T487-E489 PolarHBondContact OG1-OE1 2.88Å; T487-E489 PolarHBondContact OG1-OE2 3.46Å; E489-P505 HydrophobicContact CB-CG 4.16Å; E489-P505 HydrophobicContact CG-CG 4.38Å; E489-P505 WeakPolarHBondContact O-CD 3.37Å; E489-P505 WeakPolarHBondContact O-CG 3.23Å
490	L	97.8	Very high	95.1	Very high	10 Å²	10	62.3 Å²	62.3	5%	0.052	32%	0.324	C	S	.	.	S	Bend	trans	-108.5	116.3	177.1	-65.2	-173.1	0	0	0	111.6	L485 T487 I502 I503 W504	L485-L490 HydrophobicContact CB-CD1 4.24Å; L485-L490 HydrophobicContact CD2-CD1 3.77Å; T487-L490 PolarHBondContact O-N 3.27Å; T487-L490 VanDerWaalsContact O-N 3.13Å; L490-I502 HydrophobicContact CB-CG2 4.3Å; L490-I502 HydrophobicContact CD1-CG2 3.98Å; L490-I503 WeakPolarHBondContact CA-O 3.49Å; L490-W504 HydrophobicContact CD1-CZ2 4.36Å; L490-W504 HydrophobicContact CD2-CB 4.18Å; L490-W504 HydrophobicContact CD2-CD2 3.53Å; L490-W504 HydrophobicContact CD2-CE3 4.07Å; L490-W504 HydrophobicContact CD2-CG 3.57Å; L490-W504 HydrophobicContact CD2-CZ2 4.46Å
491	T	98	Very high	95.1	Very high	82 Å²	82	63.7 Å²	63.7	50%	0.503	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	127.6	172.8	-55.2	0	0	0	0	109.7	E493 I503	T491-E493 HydrophobicContact CG2-CG 4.23Å; T491-I503 PolarHBondContact N-O 3.36Å; T491-I503 PolarHBondContact O-N 3.44Å
492	W	97.9	Very high	95.2	Very high	54 Å²	54	61.8 Å²	61.8	21%	0.205	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120	172.4	-80.7	69	0	0	0	110.2	V482 L485 R486 D500 H501 I502 L512	V482-W492 HydrophobicContact CG1-CH2 3.82Å; V482-W492 HydrophobicContact CG1-CZ2 4.29Å; L485-W492 HydrophobicContact CB-CZ2 3.88Å; L485-W492 PolarHBondContact O-NE1 2.89Å; R486-W492 VanDerWaalsContact CZ-CH2 3.4Å; R486-W492 VanDerWaalsContact NH1-CE2 3.32Å; W492-D500 HydrophobicContact CE3-CB 3.9Å; W492-D500 HydrophobicContact CZ3-CB 3.93Å; W492-H501 WeakPolarHBondContact CA-O 3.3Å; W492-I502 HydrophobicContact CD2-CD1 4.17Å; W492-I502 HydrophobicContact CD2-CG1 3.87Å; W492-I502 HydrophobicContact CE3-CD1 4.25Å; W492-I502 HydrophobicContact CE3-CG1 4.05Å; W492-I502 HydrophobicContact CG-CG1 4.46Å; W492-I502 HydrophobicContact CH2-CD1 3.59Å; W492-I502 HydrophobicContact CH2-CG1 4.29Å; W492-I502 HydrophobicContact CZ2-CD1 3.45Å; W492-I502 VanDerWaalsContact CZ2-CD1 3.45Å; W492-I502 HydrophobicContact CZ2-CG1 4.1Å; W492-I502 HydrophobicContact CZ3-CD1 3.98Å; W492-I502 HydrophobicContact CZ3-CG1 4.25Å; W492-L512 HydrophobicContact CH2-CD2 3.82Å; W492-L512 HydrophobicContact CZ3-CD2 4.25Å
493	E	97.1	Very high	95.3	Very high	98 Å²	98	62.5 Å²	62.5	46%	0.458	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	111.2	174.5	-66.8	178.6	174.2	0	0	109.8	T491 V495 H501 I503	T491-E493 HydrophobicContact CG2-CG 4.23Å; E493-V495 WeakPolarHBondContact O-CG2 3.37Å; E493-V495 PolarHBondContact O-N 2.7Å; E493-H501 HydrophobicContact CB-CB 4.15Å; E493-H501 PolarHBondContact N-O 2.9Å; E493-H501 PolarHBondContact O-N 2.86Å; E493-I503 VanDerWaalsContact CD-CD1 3.44Å; E493-I503 HydrophobicContact CG-CD1 4.04Å; E493-I503 WeakPolarHBondContact OE2-CD1 3.23Å
494	R	95.2	Very high	95.5	Very high	174 Å²	174	59.7 Å²	59.7	66%	0.657	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	110.1	173.3	178.7	170.9	157.1	140.5	-9.2	109.7	R496 D500	R494-R496 WeakPolarHBondContact CG-O 3.32Å; R494-D500 WeakPolarHBondContact CB-OD1 3.14Å
495	V	92.6	Very high	95.5	Very high	70 Å²	70	63.6 Å²	63.6	42%	0.424	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-39.3	-170.3	-163.2	0	0	0	0	112.1	E493 V499 H501	E493-V495 WeakPolarHBondContact O-CG2 3.37Å; E493-V495 PolarHBondContact O-N 2.7Å; V495-V499 PolarHBondContact N-O 2.69Å; V495-H501 HydrophobicContact CG2-CB 3.88Å; V495-H501 WeakPolarHBondContact CG2-ND1 3.32Å
496	R	90	Very high	95.5	Very high	111 Å²	111	69.1 Å²	69.1	42%	0.419	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	173.6	178.1	-54.9	-179.3	176.6	-178.3	-2.2	108.1	T380 D382 R494 Q498 V499	T380-R496 PolarHBondContact O-NH1 3.01Å; D382-R496 IonicContact OD2-CZ 3.58Å; D382-R496 VanDerWaalsContact OD2-CZ 3.22Å; D382-R496 IonicContact OD2-NH1 3.86Å; D382-R496 PolarHBondContact OD2-NH1 3.05Å; D382-R496 IonicContact OD2-NH2 2.7Å; D382-R496 PolarHBondContact OD2-NH2 3.3Å; R494-R496 WeakPolarHBondContact CG-O 3.32Å; R496-Q498 PolarHBondContact O-N 3.45Å; R496-V499 HydrophobicContact CB-CB 3.98Å; R496-V499 HydrophobicContact CB-CG2 4Å; R496-V499 PolarHBondContact N-O 2.75Å; R496-V499 PolarHBondContact O-N 2.9Å
497	S	85.9	Confident	95.6	Very high	68 Å²	68	66.1 Å²	66.1	48%	0.476	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	130.4	166.3	-164.4	0	0	0	0	109.6	V499	S497-V499 PolarHBondContact O-N 2.95Å
498	Q	87.4	Confident	95.7	Very high	55 Å²	55	65 Å²	65	26%	0.257	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	22.3	-175.3	-63.1	78.9	22.5	0	0	116.1	R496 A514 C523	R496-Q498 PolarHBondContact O-N 3.45Å; Q498-A514 HydrophobicContact CB-CB 4.46Å; Q498-A514 PolarHBondContact O-N 3.44Å; Q498-C523 WeakPolarHBondContact CB-SG 3.39Å
499	V	95.9	Very high	95.7	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.03	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	113.1	175.2	-171.9	0	0	0	0	110.9	T380 V495 R496 S497 V511 L513	T380-V499 HydrophobicContact CG2-CG2 3.78Å; V495-V499 PolarHBondContact N-O 2.69Å; R496-V499 HydrophobicContact CB-CB 3.98Å; R496-V499 HydrophobicContact CB-CG2 4Å; R496-V499 PolarHBondContact N-O 2.75Å; R496-V499 PolarHBondContact O-N 2.9Å; S497-V499 PolarHBondContact O-N 2.95Å; V499-V511 HydrophobicContact CG1-CG1 3.76Å; V499-L513 HydrophobicContact CB-CD2 4.44Å; V499-L513 HydrophobicContact CG1-CD2 4Å; V499-L513 HydrophobicContact CG2-CD2 4.07Å
500	D	97.2	Very high	95.9	Very high	14 Å²	14	58.5 Å²	58.5	8%	0.075	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.1	-178.3	-60.6	-74.6	0	0	0	110.7	W492 R494 L512	W492-D500 HydrophobicContact CE3-CB 3.9Å; W492-D500 HydrophobicContact CZ3-CB 3.93Å; R494-D500 WeakPolarHBondContact CB-OD1 3.14Å; D500-L512 PolarHBondContact N-O 3.47Å; D500-L512 PolarHBondContact O-N 3.36Å
501	H	98.2	Very high	95.9	Very high	33 Å²	33	58.6 Å²	58.6	15%	0.153	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.8	164.5	-77.6	165.6	0	0	0	109.1	W492 E493 V495 I503 R509 I510	W492-H501 WeakPolarHBondContact CA-O 3.3Å; E493-H501 HydrophobicContact CB-CB 4.15Å; E493-H501 PolarHBondContact N-O 2.9Å; E493-H501 PolarHBondContact O-N 2.86Å; V495-H501 HydrophobicContact CG2-CB 3.88Å; V495-H501 WeakPolarHBondContact CG2-ND1 3.32Å; H501-I503 HydrophobicContact CB-CG1 4.41Å; H501-R509 HydrophobicContact CB-CG 3.96Å; H501-R509 PolarHBondContact CD2-NE 3.09Å; H501-R509 VanDerWaalsContact CD2-NE 3.35Å; H501-R509 PolarHBondContact CE1-NE 2.96Å; H501-R509 WeakPolarHBondContact ND1-CD 3.46Å; H501-R509 PolarHBondContact NE2-NE 3.12Å; H501-I510 WeakPolarHBondContact CA-O 3.29Å
502	I	98.3	Very high	95.9	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.2	173.2	-54.9	177.1	0	0	0	106.8	L485 L490 W492 W504 R509 I510 L512	L485-I502 HydrophobicContact CB-CD1 4.3Å; L485-I502 HydrophobicContact CD1-CD1 3.56Å; L485-I502 HydrophobicContact CG-CD1 4.5Å; L490-I502 HydrophobicContact CB-CG2 4.3Å; L490-I502 HydrophobicContact CD1-CG2 3.98Å; W492-I502 HydrophobicContact CD2-CD1 4.17Å; W492-I502 HydrophobicContact CD2-CG1 3.87Å; W492-I502 HydrophobicContact CE3-CD1 4.25Å; W492-I502 HydrophobicContact CE3-CG1 4.05Å; W492-I502 HydrophobicContact CG-CG1 4.46Å; W492-I502 HydrophobicContact CH2-CD1 3.59Å; W492-I502 HydrophobicContact CH2-CG1 4.29Å; W492-I502 HydrophobicContact CZ2-CD1 3.45Å; W492-I502 VanDerWaalsContact CZ2-CD1 3.45Å; W492-I502 HydrophobicContact CZ2-CG1 4.1Å; W492-I502 HydrophobicContact CZ3-CD1 3.98Å; W492-I502 HydrophobicContact CZ3-CG1 4.25Å; I502-W504 HydrophobicContact CB-CZ3 4Å; I502-W504 HydrophobicContact CG2-CE3 4.28Å; I502-W504 HydrophobicContact CG2-CH2 4.07Å; I502-W504 HydrophobicContact CG2-CZ3 3.64Å; I502-W504 WeakPolarHBondContact O-CZ3 3.36Å; I502-R509 CarbonylContact O-C 3.56Å; I502-R509 WeakPolarHBondContact O-CA 3.44Å; I502-I510 PolarHBondContact N-O 2.86Å; I502-I510 PolarHBondContact O-N 3.43Å; I502-L512 HydrophobicContact CD1-CB 3.92Å; I502-L512 HydrophobicContact CD1-CD2 3.72Å; I502-L512 HydrophobicContact CD1-CG 4.46Å
503	I	98.5	Very high	95.8	Very high	32 Å²	32	52.1 Å²	52.1	16%	0.164	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.8	-167.1	-55.4	172.1	0	0	0	109.4	L490 T491 E493 H501 R509	L490-I503 WeakPolarHBondContact CA-O 3.49Å; T491-I503 PolarHBondContact N-O 3.36Å; T491-I503 PolarHBondContact O-N 3.44Å; E493-I503 VanDerWaalsContact CD-CD1 3.44Å; E493-I503 HydrophobicContact CG-CD1 4.04Å; E493-I503 WeakPolarHBondContact OE2-CD1 3.23Å; H501-I503 HydrophobicContact CB-CG1 4.41Å; I503-R509 HydrophobicContact CG1-CB 4.42Å; I503-R509 HydrophobicContact CG1-CG 4.01Å
504	W	98.3	Very high	95.5	Very high	21 Å²	21	47.6 Å²	47.6	8%	0.08	25%	0.246	C	C	.	.			trans	-85.2	161.5	176.5	-82	-115.7	0	0	0	111.3	L461 D462 L485 L490 I502 D506 A507 K508 I510	L461-W504 HydrophobicContact CB-CH2 4.29Å; L461-W504 HydrophobicContact CB-CZ2 4.22Å; D462-W504 PolarHBondContact OD1-NE1 3.5Å; L485-W504 HydrophobicContact CD2-CH2 3.92Å; L485-W504 HydrophobicContact CD2-CZ2 4.01Å; L490-W504 HydrophobicContact CD1-CZ2 4.36Å; L490-W504 HydrophobicContact CD2-CB 4.18Å; L490-W504 HydrophobicContact CD2-CD2 3.53Å; L490-W504 HydrophobicContact CD2-CE3 4.07Å; L490-W504 HydrophobicContact CD2-CG 3.57Å; L490-W504 HydrophobicContact CD2-CZ2 4.46Å; I502-W504 HydrophobicContact CB-CZ3 4Å; I502-W504 HydrophobicContact CG2-CE3 4.28Å; I502-W504 HydrophobicContact CG2-CH2 4.07Å; I502-W504 HydrophobicContact CG2-CZ3 3.64Å; I502-W504 WeakPolarHBondContact O-CZ3 3.36Å; W504-D506 WeakPolarHBondContact CB-OD1 3.44Å; W504-D506 PolarHBondContact O-N 2.95Å; W504-D506 VanDerWaalsContact O-N 3.07Å; W504-A507 WeakPolarHBondContact O-CA 3.44Å; W504-A507 PolarHBondContact O-N 3.33Å; W504-K508 HydrophobicContact CB-CB 4.37Å; W504-K508 VanDerWaalsContact CG-CE 3.46Å; W504-K508 PolarHBondContact N-O 3.37Å; W504-I510 HydrophobicContact CE3-CG1 4.26Å; W504-I510 HydrophobicContact CH2-CB 4.3Å; W504-I510 HydrophobicContact CH2-CG1 3.67Å; W504-I510 HydrophobicContact CZ3-CB 3.87Å; W504-I510 HydrophobicContact CZ3-CG1 3.38Å
505	P	97.7	Very high	95.3	Very high	108 Å²	108	42 Å²	42	70%	0.701	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.8	178.2	-26.3	36.1	0	0	0	115.7	E489 A507	E489-P505 HydrophobicContact CB-CG 4.16Å; E489-P505 HydrophobicContact CG-CG 4.38Å; E489-P505 WeakPolarHBondContact O-CD 3.37Å; E489-P505 WeakPolarHBondContact O-CG 3.23Å; P505-A507 VanDerWaalsContact C-N 3.28Å
506	D	96.5	Very high	95.3	Very high	116 Å²	116	38.7 Å²	38.7	62%	0.62	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	8.7	173.3	68.3	-12.9	0	0	0	113.3	W504 K508	W504-D506 WeakPolarHBondContact CB-OD1 3.44Å; W504-D506 PolarHBondContact O-N 2.95Å; W504-D506 VanDerWaalsContact O-N 3.07Å; D506-K508 PolarHBondContact O-N 3.31Å; D506-K508 WeakPolarHBondContact OD1-CB 3.38Å; D506-K508 PolarHBondContact OD1-N 2.85Å
507	A	96.8	Very high	95.2	Very high	72 Å²	72	36 Å²	36	60%	0.595	20%	0.197	S	C	*	.			trans	60.9	14	-171.7	0	0	0	0	0	115.4	W504 P505 R509	W504-A507 WeakPolarHBondContact O-CA 3.44Å; W504-A507 PolarHBondContact O-N 3.33Å; P505-A507 VanDerWaalsContact C-N 3.28Å; A507-R509 PolarHBondContact O-N 3.1Å
508	K	97.7	Very high	95.3	Very high	17 Å²	17	34 Å²	34	7%	0.074	18%	0.18	C	C	.	.			trans	-66.2	129.4	165	179.6	-158.5	58.9	167	0	109	L461 D462 M464 N466 W504 D506	L461-K508 PolarHBondContact O-NZ 2.97Å; D462-K508 VanDerWaalsContact C-NZ 3.31Å; D462-K508 VanDerWaalsContact CA-NZ 3.31Å; D462-K508 PolarHBondContact O-NZ 3.46Å; M464-K508 WeakPolarHBondContact O-CD 3.32Å; N466-K508 HydrophobicContact CB-CG 4.26Å; W504-K508 HydrophobicContact CB-CB 4.37Å; W504-K508 VanDerWaalsContact CG-CE 3.46Å; W504-K508 PolarHBondContact N-O 3.37Å; D506-K508 PolarHBondContact O-N 3.31Å; D506-K508 WeakPolarHBondContact OD1-CB 3.38Å; D506-K508 PolarHBondContact OD1-N 2.85Å
509	R	97.6	Very high	95.4	Very high	86 Å²	86	31.3 Å²	31.3	33%	0.325	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.1	178.7	-170.8	177.6	90.3	-120.1	-3.9	111.5	N466 G467 H501 I502 I503 A507	N466-R509 WeakPolarHBondContact OD1-CB 3.22Å; N466-R509 PolarHBondContact OD1-N 3.21Å; N466-R509 PolarHBondContact OD1-O 2.96Å; G467-R509 PolarHBondContact N-O 3.22Å; H501-R509 HydrophobicContact CB-CG 3.96Å; H501-R509 PolarHBondContact CD2-NE 3.09Å; H501-R509 VanDerWaalsContact CD2-NE 3.35Å; H501-R509 PolarHBondContact CE1-NE 2.96Å; H501-R509 WeakPolarHBondContact ND1-CD 3.46Å; H501-R509 PolarHBondContact NE2-NE 3.12Å; I502-R509 CarbonylContact O-C 3.56Å; I502-R509 WeakPolarHBondContact O-CA 3.44Å; I503-R509 HydrophobicContact CG1-CB 4.42Å; I503-R509 HydrophobicContact CG1-CG 4.01Å; A507-R509 PolarHBondContact O-N 3.1Å
510	I	98.4	Very high	94.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.5	166.4	-58	-62	0	0	0	108.4	L461 M464 C468 V470 H501 I502 W504	L461-I510 HydrophobicContact CD2-CG2 4.43Å; M464-I510 HydrophobicContact CB-CD1 3.52Å; M464-I510 HydrophobicContact CG-CD1 4.39Å; M464-I510 HydrophobicContact SD-CD1 4.01Å; M464-I510 HydrophobicContact SD-CG2 4.47Å; C468-I510 HydrophobicContact CB-CD1 3.9Å; V470-I510 HydrophobicContact CB-CG2 4.42Å; V470-I510 HydrophobicContact CG2-CG2 3.57Å; H501-I510 WeakPolarHBondContact CA-O 3.29Å; I502-I510 PolarHBondContact N-O 2.86Å; I502-I510 PolarHBondContact O-N 3.43Å; W504-I510 HydrophobicContact CE3-CG1 4.26Å; W504-I510 HydrophobicContact CH2-CB 4.3Å; W504-I510 HydrophobicContact CH2-CG1 3.67Å; W504-I510 HydrophobicContact CZ3-CB 3.87Å; W504-I510 HydrophobicContact CZ3-CG1 3.38Å
511	V	98.5	Very high	94	Very high	12 Å²	12	33.5 Å²	33.5	7%	0.073	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	99.8	176.3	-170.2	0	0	0	0	108.1	T381 C468 I469 V470 V499 L513	T381-V511 HydrophobicContact CG2-CG1 4.27Å; C468-V511 PolarHBondContact O-N 3.12Å; I469-V511 WeakPolarHBondContact CA-O 3.36Å; I469-V511 HydrophobicContact CG1-CB 4.14Å; I469-V511 HydrophobicContact CG1-CG2 4.44Å; V470-V511 PolarHBondContact N-O 3.3Å; V499-V511 HydrophobicContact CG1-CG1 3.76Å; V511-L513 HydrophobicContact CG1-CD2 4.06Å
512	L	98.1	Very high	93.2	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130	177	-177.9	63.4	0	0	0	109.8	V470 I480 V482 W492 D500 I502	V470-L512 HydrophobicContact CB-CD1 4.36Å; V470-L512 HydrophobicContact CG1-CD1 4.47Å; I480-L512 HydrophobicContact CD1-CD1 4.38Å; V482-L512 HydrophobicContact CG1-CD2 3.91Å; V482-L512 HydrophobicContact CG2-CD2 4.01Å; W492-L512 HydrophobicContact CH2-CD2 3.82Å; W492-L512 HydrophobicContact CZ3-CD2 4.25Å; D500-L512 PolarHBondContact N-O 3.47Å; D500-L512 PolarHBondContact O-N 3.36Å; I502-L512 HydrophobicContact CD1-CB 3.92Å; I502-L512 HydrophobicContact CD1-CD2 3.72Å; I502-L512 HydrophobicContact CD1-CG 4.46Å
513	L	96.1	Very high	92.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	138	177.4	-52.3	-171.2	0	0	0	111	L377 T380 T381 I469 V470 C471 V499 V511 E515 G516 L519	L377-L513 HydrophobicContact CD2-CD1 3.87Å; T380-L513 HydrophobicContact CG2-CD1 4.39Å; T380-L513 HydrophobicContact CG2-CD2 4.26Å; T380-L513 WeakPolarHBondContact OG1-CD1 3.28Å; T381-L513 HydrophobicContact CG2-CD1 4.21Å; T381-L513 HydrophobicContact CG2-CD2 3.88Å; I469-L513 HydrophobicContact CG2-CD1 3.86Å; I469-L513 HydrophobicContact CG2-CG 4.11Å; V470-L513 PolarHBondContact O-N 2.98Å; C471-L513 HydrophobicContact CB-CB 3.89Å; C471-L513 HydrophobicContact CB-CD1 3.89Å; C471-L513 HydrophobicContact CB-CG 4.1Å; V499-L513 HydrophobicContact CB-CD2 4.44Å; V499-L513 HydrophobicContact CG1-CD2 4Å; V499-L513 HydrophobicContact CG2-CD2 4.07Å; V511-L513 HydrophobicContact CG1-CD2 4.06Å; L513-E515 PolarHBondContact O-N 2.94Å; L513-G516 PolarHBondContact O-N 2.96Å; L513-L519 HydrophobicContact CB-CD1 3.74Å; L513-L519 HydrophobicContact CD1-CD1 3.61Å; L513-L519 HydrophobicContact CG-CD1 4.32Å
514	A	90.7	Very high	91.9	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.025	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	53.2	23.3	176.8	0	0	0	0	0	116.1	Q498 G516 R517 S522	Q498-A514 HydrophobicContact CB-CB 4.46Å; Q498-A514 PolarHBondContact O-N 3.44Å; A514-G516 PolarHBondContact O-N 3.33Å; A514-R517 HydrophobicContact CB-CB 4.23Å; A514-R517 VanDerWaalsContact O-CB 3.3Å; A514-R517 WeakPolarHBondContact O-CB 3.29Å; A514-R517 WeakPolarHBondContact O-CG 3.39Å; A514-R517 PolarHBondContact O-N 3Å; A514-S522 VanDerWaalsContact CB-CB 3.49Å
515	E	91.9	Very high	91	Very high	56 Å²	56	35.4 Å²	35.4	26%	0.262	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	49.1	36.5	-166.7	-52	177	-92	0	0	113.1	R486 L513 R517	R486-E515 IonicContact CZ-OE2 3.47Å; R486-E515 IonicContact NH2-OE2 3.74Å; R486-E515 PolarHBondContact NH2-OE2 3.31Å; L513-E515 PolarHBondContact O-N 2.94Å; E515-R517 VanDerWaalsContact C-N 3.3Å; E515-R517 PolarHBondContact O-N 2.81Å; E515-R517 IonicContact OE1-CZ 2.78Å; E515-R517 IonicContact OE1-NH1 2.72Å; E515-R517 PolarHBondContact OE1-NH1 2.8Å; E515-R517 IonicContact OE1-NH2 3.68Å
516	G	91.2	Very high	90.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	77.4	4.6	-178.1	0	0	0	0	0	115.6	N472 N477 L513 A514	N472-G516 VanDerWaalsContact CB-O 3.28Å; N472-G516 WeakPolarHBondContact CB-O 3.3Å; N472-G516 PolarHBondContact ND2-O 3.26Å; N477-G516 WeakPolarHBondContact CA-O 3.22Å; L513-G516 PolarHBondContact O-N 2.96Å; A514-G516 PolarHBondContact O-N 3.33Å
517	R	87.8	Confident	89.9	Confident	55 Å²	55	27 Å²	27	21%	0.208	15%	0.15	C	C	.	.	S	Bend	trans	-72.7	172.4	168.1	-56.9	-176.5	-173.9	90	-8.2	111.1	N477 A514 E515 L519	N477-R517 HydrophobicContact CB-CG 3.98Å; A514-R517 HydrophobicContact CB-CB 4.23Å; A514-R517 VanDerWaalsContact O-CB 3.3Å; A514-R517 WeakPolarHBondContact O-CB 3.29Å; A514-R517 WeakPolarHBondContact O-CG 3.39Å; A514-R517 PolarHBondContact O-N 3Å; E515-R517 VanDerWaalsContact C-N 3.3Å; E515-R517 PolarHBondContact O-N 2.81Å; E515-R517 IonicContact OE1-CZ 2.78Å; E515-R517 IonicContact OE1-NH1 2.72Å; E515-R517 PolarHBondContact OE1-NH1 2.8Å; E515-R517 IonicContact OE1-NH2 3.68Å; R517-L519 PolarHBondContact O-N 3.01Å
518	L	87.8	Confident	89.8	Confident	25 Å²	25	24.9 Å²	24.9	13%	0.131	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-61.1	116.8	-174.9	-45.7	91.8	0	0	0	111.6	G474 N520 L521 S522	G474-L518 WeakPolarHBondContact O-CG 3.22Å; L518-N520 WeakPolarHBondContact CB-OD1 3.32Å; L518-L521 HydrophobicContact CD2-CD1 4.19Å; L518-L521 PolarHBondContact O-N 3.41Å; L518-S522 WeakPolarHBondContact O-CB 3.49Å; L518-S522 PolarHBondContact O-N 2.71Å; L518-S522 PolarHBondContact O-OG 2.76Å
519	L	90.4	Very high	89.8	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.7	-42.3	-176	-176.8	77	0	0	0	112.4	I373 L377 C471 N472 M473 L513 R517 L521 S522 C523 S524	I373-L519 HydrophobicContact CD1-CD2 3.72Å; L377-L519 HydrophobicContact CD2-CD2 4.34Å; L377-L519 HydrophobicContact CG-CD2 4.13Å; C471-L519 HydrophobicContact CB-CD1 4.24Å; C471-L519 HydrophobicContact CB-CD2 4.2Å; N472-L519 VanDerWaalsContact O-CB 3.32Å; N472-L519 WeakPolarHBondContact O-CB 3.46Å; N472-L519 PolarHBondContact O-N 2.88Å; M473-L519 HydrophobicContact SD-CB 3.96Å; M473-L519 HydrophobicContact SD-CD2 4.31Å; L513-L519 HydrophobicContact CB-CD1 3.74Å; L513-L519 HydrophobicContact CD1-CD1 3.61Å; L513-L519 HydrophobicContact CG-CD1 4.32Å; R517-L519 PolarHBondContact O-N 3.01Å; L519-L521 PolarHBondContact O-N 2.93Å; L519-S522 PolarHBondContact O-N 2.85Å; L519-C523 HydrophobicContact CD1-CB 3.65Å; L519-C523 HydrophobicContact CG-CB 4.24Å; L519-C523 WeakPolarHBondContact O-CA 3.46Å; L519-C523 WeakPolarHBondContact O-CB 3.41Å; L519-C523 PolarHBondContact O-N 3.34Å; L519-S524 PolarHBondContact O-N 3.27Å
520	N	84.8	Confident	89.6	Confident	17 Å²	17	21.7 Å²	21.7	9%	0.091	12%	0.12	C	C	.	.	H	α-helix	trans	-62.3	-24.5	-177.9	63	-31	0	0	0	114.1	S372 M473 L518 S524 V526	S372-N520 VanDerWaalsContact OG-CB 3.25Å; S372-N520 WeakPolarHBondContact OG-CB 3.46Å; M473-N520 HydrophobicContact CE-CB 3.99Å; M473-N520 HydrophobicContact SD-CB 4.01Å; L518-N520 WeakPolarHBondContact CB-OD1 3.32Å; N520-S524 WeakPolarHBondContact O-CB 3.39Å; N520-V526 HydrophobicContact CB-CG1 4.45Å
521	L	79.6	Confident	89.4	Confident	48 Å²	48	23.1 Å²	23.1	25%	0.251	13%	0.127	S	C	.	.	H	α-helix	trans	-105.4	-28.6	178.2	-61.5	172.5	0	0	0	112.8	H229 L518 L519 V526	H229-L521 WeakPolarHBondContact NE2-CD1 3.46Å; L518-L521 HydrophobicContact CD2-CD1 4.19Å; L518-L521 PolarHBondContact O-N 3.41Å; L519-L521 PolarHBondContact O-N 2.93Å; L521-V526 HydrophobicContact CD2-CG1 4.02Å
522	S	81	Confident	89.4	Confident	21 Å²	21	22.5 Å²	22.5	15%	0.147	12%	0.123	C	C	.	.	H	α-helix	trans	-84.4	-28	-179	-52.1	0	0	0	0	113.1	A514 L518 L519	A514-S522 VanDerWaalsContact CB-CB 3.49Å; L518-S522 WeakPolarHBondContact O-CB 3.49Å; L518-S522 PolarHBondContact O-N 2.71Å; L518-S522 PolarHBondContact O-OG 2.76Å; L519-S522 PolarHBondContact O-N 2.85Å
523	C	83.9	Confident	89.4	Confident	15 Å²	15	22.8 Å²	22.8	10%	0.101	13%	0.125	C	C	.	.	S	Bend	trans	-136.4	-2.8	-164.4	-61.9	0	0	0	0	115	T380 Q498 L519	T380-C523 HydrophobicContact CG2-CB 3.59Å; Q498-C523 WeakPolarHBondContact CB-SG 3.39Å; L519-C523 HydrophobicContact CD1-CB 3.65Å; L519-C523 HydrophobicContact CG-CB 4.24Å; L519-C523 WeakPolarHBondContact O-CA 3.46Å; L519-C523 WeakPolarHBondContact O-CB 3.41Å; L519-C523 PolarHBondContact O-N 3.34Å
524	S	84.6	Confident	89.4	Confident	15 Å²	15	22.9 Å²	22.9	11%	0.105	13%	0.125	C	C	.	.	S	Bend	trans	-131.7	167.8	-174.3	-170.8	0	0	0	0	109.7	S372 D375 G376 L519 N520	S372-S524 WeakPolarHBondContact CA-OG 3.26Å; S372-S524 WeakPolarHBondContact CB-OG 3.18Å; S372-S524 PolarHBondContact O-OG 3.47Å; D375-S524 WeakPolarHBondContact CB-OG 3.37Å; D375-S524 PolarHBondContact OD2-OG 3.36Å; G376-S524 PolarHBondContact N-OG 3.29Å; L519-S524 PolarHBondContact O-N 3.27Å; N520-S524 WeakPolarHBondContact O-CB 3.39Å
525	T	79.1	Confident	89.7	Confident	76 Å²	76	23 Å²	23	47%	0.466	13%	0.127	S	C	.	.			trans	-94.5	157.3	152.4	43.8	0	0	0	0	110.1	D375 R379	D375-T525 PolarHBondContact OD2-N 3.42Å; D375-T525 PolarHBondContact OD2-OG1 3.29Å; R379-T525 PolarHBondContact NH2-OG1 3.02Å
526	V	82.2	Confident	90	Very high	20 Å²	20	20.4 Å²	20.4	12%	0.121	11%	0.114	C	C	.	.			trans	-107.5	142.7	176.4	-70.1	0	0	0	0	110.1	C368 N520 L521 T528 L531	C368-V526 WeakPolarHBondContact SG-CG1 3.2Å; N520-V526 HydrophobicContact CB-CG1 4.45Å; L521-V526 HydrophobicContact CD2-CG1 4.02Å; V526-T528 PolarHBondContact O-N 2.94Å; V526-L531 HydrophobicContact CG2-CD1 3.59Å; V526-L531 HydrophobicContact CG2-CG 4.3Å
527	P	90.6	Very high	90.4	Very high	27 Å²	27	20.4 Å²	20.4	18%	0.175	11%	0.114	C	C	.	.			trans	-67.2	121.7	-173.2	-21.2	33.9	0	0	0	112.6	E371 F529 V530 L531	E371-P527 HydrophobicContact CB-CG 4.08Å; E371-P527 WeakPolarHBondContact OE2-CG 3.39Å; P527-F529 VanDerWaalsContact C-N 3.33Å; P527-F529 PolarHBondContact O-N 2.83Å; P527-V530 HydrophobicContact CB-CB 4.34Å; P527-V530 HydrophobicContact CB-CG2 4.05Å; P527-V530 PolarHBondContact O-N 2.9Å; P527-L531 PolarHBondContact O-N 2.99Å
528	T	94.8	Very high	90.9	Very high	28 Å²	28	18 Å²	18	17%	0.172	11%	0.106	C	C	.	.	H	α-helix	trans	-56.1	-44.2	-177.4	-63.4	0	0	0	0	112.9	A199 E202 M203 Q233 V526 V530 L531 S532	A199-T528 HydrophobicContact CB-CG2 4.1Å; E202-T528 HydrophobicContact CB-CG2 3.44Å; E202-T528 VanDerWaalsContact CB-CG2 3.44Å; M203-T528 HydrophobicContact CG-CG2 3.49Å; M203-T528 VanDerWaalsContact CG-CG2 3.49Å; M203-T528 HydrophobicContact SD-CG2 4.01Å; Q233-T528 HydrophobicContact CG-CG2 3.82Å; Q233-T528 PolarHBondContact NE2-OG1 2.74Å; V526-T528 PolarHBondContact O-N 2.94Å; T528-V530 PolarHBondContact O-N 3.03Å; T528-L531 CarbonylContact O-C 3.57Å; T528-L531 PolarHBondContact O-N 2.85Å; T528-L531 VanDerWaalsContact O-N 3.11Å; T528-S532 PolarHBondContact O-N 3.03Å
529	F	96.2	Very high	91.4	Very high	26 Å²	26	16.9 Å²	16.9	11%	0.114	10%	0.099	C	C	.	.	H	α-helix	trans	-58.2	-36.2	178.4	-170.9	-88.6	0	0	0	113	E202 P204 P527 S532 I533 H572 T575 F576	E202-F529 WeakPolarHBondContact O-CA 3.44Å; P204-F529 HydrophobicContact CG-CE2 4.04Å; P527-F529 VanDerWaalsContact C-N 3.33Å; P527-F529 PolarHBondContact O-N 2.83Å; F529-S532 VanDerWaalsContact O-CB 3.25Å; F529-S532 WeakPolarHBondContact O-CB 3.34Å; F529-S532 PolarHBondContact O-N 3.21Å; F529-I533 HydrophobicContact CD1-CD1 4.34Å; F529-I533 HydrophobicContact CE1-CD1 4.08Å; F529-I533 PolarHBondContact O-N 2.84Å; F529-H572 HydrophobicContact CE1-CB 4.43Å; F529-H572 HydrophobicContact CZ-CB 3.82Å; F529-H572 AromaticContact CZ-CD2 3.91Å; F529-T575 HydrophobicContact CD2-CG2 4.35Å; F529-T575 HydrophobicContact CE2-CG2 3.79Å; F529-F576 HydrophobicContact CD1-CZ 4.07Å; F529-F576 AromaticContact CE1-CE2 3.49Å; F529-F576 HydrophobicContact CE1-CE2 3.49Å; F529-F576 VanDerWaalsContact CE1-CE2 3.49Å; F529-F576 AromaticContact CE1-CZ 3.38Å; F529-F576 HydrophobicContact CE1-CZ 3.38Å; F529-F576 HydrophobicContact CE2-CE2 4.31Å; F529-F576 HydrophobicContact CE2-CZ 4.15Å; F529-F576 HydrophobicContact CZ-CD2 4.31Å; F529-F576 HydrophobicContact CZ-CE1 4.46Å; F529-F576 AromaticContact CZ-CE2 3.32Å; F529-F576 HydrophobicContact CZ-CE2 3.32Å; F529-F576 AromaticContact CZ-CZ 3.42Å; F529-F576 HydrophobicContact CZ-CZ 3.42Å; F529-F576 VanDerWaalsContact CZ-CZ 3.42Å
530	V	94.7	Very high	91.7	Very high	10 Å²	10	17.1 Å²	17.1	6%	0.061	10%	0.101	C	C	.	.	H	α-helix	trans	-71.4	-39.7	177.8	178.6	0	0	0	0	110.8	F363 D364 C368 P527 T528 S532 I533 T534	F363-V530 VanDerWaalsContact C-CG1 3.42Å; F363-V530 HydrophobicContact CB-CG1 4.34Å; F363-V530 VanDerWaalsContact O-CG1 3.26Å; F363-V530 WeakPolarHBondContact O-CG1 3.45Å; D364-V530 VanDerWaalsContact CA-CG1 3.47Å; D364-V530 HydrophobicContact CB-CG1 4.26Å; C368-V530 HydrophobicContact CB-CB 4.49Å; C368-V530 HydrophobicContact CB-CG1 3.9Å; P527-V530 HydrophobicContact CB-CB 4.34Å; P527-V530 HydrophobicContact CB-CG2 4.05Å; P527-V530 PolarHBondContact O-N 2.9Å; T528-V530 PolarHBondContact O-N 3.03Å; V530-S532 VanDerWaalsContact C-N 3.3Å; V530-S532 PolarHBondContact O-N 3.08Å; V530-I533 WeakPolarHBondContact O-CB 3.18Å; V530-I533 PolarHBondContact O-N 2.86Å; V530-T534 PolarHBondContact O-N 3.48Å
531	L	94.6	Very high	92.3	Very high	30 Å²	30	16.3 Å²	16.3	16%	0.157	10%	0.096	C	C	.	.	H	α-helix	trans	-68.6	-26.2	172.1	-68.2	-171.3	0	0	0	113.2	Q233 V526 P527 T528 I533 T534 A535	Q233-L531 HydrophobicContact CB-CB 4.04Å; Q233-L531 HydrophobicContact CB-CD1 3.82Å; Q233-L531 HydrophobicContact CG-CB 4.08Å; Q233-L531 HydrophobicContact CG-CD1 3.81Å; V526-L531 HydrophobicContact CG2-CD1 3.59Å; V526-L531 HydrophobicContact CG2-CG 4.3Å; P527-L531 PolarHBondContact O-N 2.99Å; T528-L531 CarbonylContact O-C 3.57Å; T528-L531 PolarHBondContact O-N 2.85Å; T528-L531 VanDerWaalsContact O-N 3.11Å; L531-I533 PolarHBondContact O-N 3.16Å; L531-T534 PolarHBondContact O-N 2.83Å; L531-A535 WeakPolarHBondContact O-CB 3.4Å; L531-A535 PolarHBondContact O-N 3.49Å
532	S	97.8	Very high	93.2	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.1	-40.6	170.3	-174.4	0	0	0	0	111.3	M203 T528 F529 V530 T536 H572	M203-S532 VanDerWaalsContact CA-OG 3.3Å; M203-S532 WeakPolarHBondContact CA-OG 3.27Å; T528-S532 PolarHBondContact O-N 3.03Å; F529-S532 VanDerWaalsContact O-CB 3.25Å; F529-S532 WeakPolarHBondContact O-CB 3.34Å; F529-S532 PolarHBondContact O-N 3.21Å; V530-S532 VanDerWaalsContact C-N 3.3Å; V530-S532 PolarHBondContact O-N 3.08Å; S532-T536 VanDerWaalsContact O-CB 3.25Å; S532-T536 WeakPolarHBondContact O-CB 3.44Å; S532-T536 PolarHBondContact O-N 3.22Å; S532-T536 PolarHBondContact O-OG1 2.78Å; S532-H572 VanDerWaalsContact C-NE2 3.33Å; S532-H572 VanDerWaalsContact CB-NE2 3.29Å; S532-H572 WeakPolarHBondContact CB-NE2 3.37Å; S532-H572 PolarHBondContact OG-NE2 3.17Å
533	I	97.7	Very high	94	Very high	7 Å²	7	13.3 Å²	13.3	4%	0.036	8%	0.079	C	C	.	.	H	α-helix	trans	-64.7	-58.2	178.9	-59.4	171.3	0	0	0	109.1	T359 F363 F529 V530 L531 A535 T536 T537 V568 H572	T359-I533 HydrophobicContact CG2-CG2 4.31Å; T359-I533 WeakPolarHBondContact O-CG2 3.28Å; F363-I533 HydrophobicContact CB-CD1 3.92Å; F363-I533 HydrophobicContact CB-CG2 4.41Å; F363-I533 HydrophobicContact CD1-CD1 3.48Å; F363-I533 VanDerWaalsContact CD1-CD1 3.48Å; F363-I533 HydrophobicContact CE1-CD1 4.19Å; F363-I533 HydrophobicContact CG-CD1 3.81Å; F363-I533 HydrophobicContact CG-CG2 4.41Å; F529-I533 HydrophobicContact CD1-CD1 4.34Å; F529-I533 HydrophobicContact CE1-CD1 4.08Å; F529-I533 PolarHBondContact O-N 2.84Å; V530-I533 WeakPolarHBondContact O-CB 3.18Å; V530-I533 PolarHBondContact O-N 2.86Å; L531-I533 PolarHBondContact O-N 3.16Å; I533-A535 PolarHBondContact O-N 2.81Å; I533-T536 PolarHBondContact O-N 2.72Å; I533-T537 PolarHBondContact O-N 3.49Å; I533-T537 PolarHBondContact O-OG1 3.01Å; I533-V568 HydrophobicContact CG2-CG1 3.86Å; I533-H572 PolarHBondContact N-NE2 3.4Å
534	T	96.3	Very high	94.5	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-53.7	-48.2	177.8	-59.7	0	0	0	0	112.6	E330 K360 D364 V530 L531 T536 T537 Q538	E330-T534 HydrophobicContact CG-CG2 3.75Å; K360-T534 HydrophobicContact CG-CG2 3.89Å; D364-T534 PolarHBondContact OD2-OG1 2.87Å; V530-T534 PolarHBondContact O-N 3.48Å; L531-T534 PolarHBondContact O-N 2.83Å; T534-T536 PolarHBondContact O-N 3.01Å; T534-T537 WeakPolarHBondContact O-CB 3.22Å; T534-T537 PolarHBondContact O-N 3.24Å; T534-Q538 WeakPolarHBondContact O-CG 3.21Å; T534-Q538 PolarHBondContact O-N 3.35Å
535	A	97.9	Very high	95.1	Very high	6 Å²	6	12.3 Å²	12.3	5%	0.05	7%	0.071	C	C	.	.	H	α-helix	trans	-66.5	-35.3	-179.2	0	0	0	0	0	113	M203 L206 L237 L531 I533 Q538 A539	M203-A535 HydrophobicContact CE-CB 4.03Å; L206-A535 HydrophobicContact CD1-CB 3.95Å; L237-A535 HydrophobicContact CB-CB 4.2Å; L237-A535 HydrophobicContact CD1-CB 4.27Å; L237-A535 WeakPolarHBondContact CD1-O 3.47Å; L237-A535 HydrophobicContact CD2-CB 4.15Å; L237-A535 HydrophobicContact CG-CB 4.43Å; L531-A535 WeakPolarHBondContact O-CB 3.4Å; L531-A535 PolarHBondContact O-N 3.49Å; I533-A535 PolarHBondContact O-N 2.81Å; A535-Q538 PolarHBondContact O-N 2.86Å; A535-A539 WeakPolarHBondContact O-CB 3.24Å; A535-A539 PolarHBondContact O-N 2.89Å
536	T	98.3	Very high	96	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.2	-41	173.5	-56.4	0	0	0	0	110.6	A205 L209 S532 I533 T534 Q538 A539 L540 V568 L571	A205-T536 HydrophobicContact CB-CG2 3.87Å; A205-T536 WeakPolarHBondContact CB-OG1 3.42Å; L209-T536 HydrophobicContact CD1-CG2 4.09Å; S532-T536 VanDerWaalsContact O-CB 3.25Å; S532-T536 WeakPolarHBondContact O-CB 3.44Å; S532-T536 PolarHBondContact O-N 3.22Å; S532-T536 PolarHBondContact O-OG1 2.78Å; I533-T536 PolarHBondContact O-N 2.72Å; T534-T536 PolarHBondContact O-N 3.01Å; T536-Q538 PolarHBondContact O-N 2.81Å; T536-A539 PolarHBondContact O-N 2.78Å; T536-L540 HydrophobicContact CG2-CD1 4.07Å; T536-L540 HydrophobicContact CG2-CG 4.49Å; T536-L540 WeakPolarHBondContact O-CB 3.37Å; T536-L540 WeakPolarHBondContact O-CG 3.25Å; T536-L540 PolarHBondContact O-N 3.31Å; T536-V568 HydrophobicContact CG2-CG1 4.31Å; T536-V568 HydrophobicContact CG2-CG2 4.01Å; T536-L571 HydrophobicContact CG2-CD1 4.21Å
537	T	97.8	Very high	96.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.9	-42.4	174.6	-51.2	0	0	0	0	111.4	V354 T359 I533 T534 A541 L560	V354-T537 HydrophobicContact CG1-CG2 3.79Å; V354-T537 HydrophobicContact CG2-CG2 4.36Å; T359-T537 WeakPolarHBondContact OG1-CG2 3.42Å; T359-T537 PolarHBondContact OG1-OG1 3.23Å; I533-T537 PolarHBondContact O-N 3.49Å; I533-T537 PolarHBondContact O-OG1 3.01Å; T534-T537 WeakPolarHBondContact O-CB 3.22Å; T534-T537 PolarHBondContact O-N 3.24Å; T537-A541 VanDerWaalsContact O-CB 3.27Å; T537-A541 WeakPolarHBondContact O-CB 3.43Å; T537-A541 PolarHBondContact O-N 2.87Å; T537-L560 HydrophobicContact CG2-CD2 3.67Å
538	Q	98.3	Very high	96.8	Very high	6 Å²	6	11.5 Å²	11.5	3%	0.028	6%	0.063	C	C	.	.	H	α-helix	trans	-63.3	-47.6	173	-71.8	172	-34.2	0	0	113	L237 L303 V328 E330 V354 T534 A535 T536 L540 A541 L542	L237-Q538 VanDerWaalsContact CD2-OE1 3.26Å; L303-Q538 HydrophobicContact CD1-CB 3.95Å; L303-Q538 HydrophobicContact CD1-CG 4.44Å; V328-Q538 HydrophobicContact CG1-CB 4.26Å; V328-Q538 HydrophobicContact CG1-CG 4.19Å; E330-Q538 PolarHBondContact OE2-NE2 2.94Å; V354-Q538 HydrophobicContact CG1-CG 4.08Å; T534-Q538 WeakPolarHBondContact O-CG 3.21Å; T534-Q538 PolarHBondContact O-N 3.35Å; A535-Q538 PolarHBondContact O-N 2.86Å; T536-Q538 PolarHBondContact O-N 2.81Å; Q538-L540 VanDerWaalsContact C-N 3.32Å; Q538-L540 PolarHBondContact O-N 2.81Å; Q538-A541 PolarHBondContact O-N 3.03Å; Q538-L542 PolarHBondContact O-N 2.86Å
539	A	98.1	Very high	96.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.3	-41.2	179.6	0	0	0	0	0	111.8	L206 L209 L237 L241 A535 T536 L542 I543	L206-A539 HydrophobicContact CD2-CB 4.43Å; L209-A539 HydrophobicContact CD1-CB 4.31Å; L237-A539 HydrophobicContact CD1-CB 3.96Å; L241-A539 HydrophobicContact CD2-CB 3.98Å; A535-A539 WeakPolarHBondContact O-CB 3.24Å; A535-A539 PolarHBondContact O-N 2.89Å; T536-A539 PolarHBondContact O-N 2.78Å; A539-L542 PolarHBondContact O-N 3.24Å; A539-I543 WeakPolarHBondContact O-CD1 3.19Å; A539-I543 VanDerWaalsContact O-CG1 3.31Å; A539-I543 WeakPolarHBondContact O-CG1 3.47Å; A539-I543 PolarHBondContact O-N 3.01Å
540	L	97.5	Very high	96.4	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-71.5	-35.5	175.6	-70.9	176.3	0	0	0	112.5	L209 T536 Q538 I543 E544 M564 Y567 V568	L209-L540 HydrophobicContact CD1-CD2 4.46Å; L209-L540 HydrophobicContact CD1-CG 4.47Å; L209-L540 HydrophobicContact CD2-CD2 4.29Å; T536-L540 HydrophobicContact CG2-CD1 4.07Å; T536-L540 HydrophobicContact CG2-CG 4.49Å; T536-L540 WeakPolarHBondContact O-CB 3.37Å; T536-L540 WeakPolarHBondContact O-CG 3.25Å; T536-L540 PolarHBondContact O-N 3.31Å; Q538-L540 VanDerWaalsContact C-N 3.32Å; Q538-L540 PolarHBondContact O-N 2.81Å; L540-I543 HydrophobicContact CD2-CD1 4.19Å; L540-I543 PolarHBondContact O-N 2.96Å; L540-E544 PolarHBondContact O-N 3.29Å; L540-M564 HydrophobicContact CB-CE 3.7Å; L540-M564 VanDerWaalsContact O-CE 3.29Å; L540-M564 WeakPolarHBondContact O-CE 3.44Å; L540-Y567 HydrophobicContact CD1-CD1 3.83Å; L540-Y567 HydrophobicContact CD1-CE1 4.21Å; L540-Y567 HydrophobicContact CD2-CE1 4.31Å; L540-V568 HydrophobicContact CD1-CG2 3.6Å
541	A	97.8	Very high	96.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-41.2	171.9	0	0	0	0	0	112.3	V328 M352 V354 T537 Q538 E544 L545 L560	V328-A541 HydrophobicContact CB-CB 4.5Å; V328-A541 HydrophobicContact CG1-CB 3.84Å; V328-A541 HydrophobicContact CG2-CB 3.77Å; M352-A541 HydrophobicContact CB-CB 4.16Å; M352-A541 HydrophobicContact CG-CB 3.97Å; V354-A541 HydrophobicContact CG2-CB 3.85Å; T537-A541 VanDerWaalsContact O-CB 3.27Å; T537-A541 WeakPolarHBondContact O-CB 3.43Å; T537-A541 PolarHBondContact O-N 2.87Å; Q538-A541 PolarHBondContact O-N 3.03Å; A541-E544 PolarHBondContact O-N 2.9Å; A541-L545 PolarHBondContact O-N 3.09Å; A541-L560 HydrophobicContact CB-CD1 3.96Å
542	L	98.1	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-44.2	172.4	-77.8	177.3	0	0	0	111.5	L219 V224 L241 M301 L303 V328 Q538 A539 E544 Y546	L219-L542 HydrophobicContact CD2-CB 4.39Å; V224-L542 HydrophobicContact CG1-CD1 4.19Å; V224-L542 HydrophobicContact CG2-CD1 4.2Å; L241-L542 HydrophobicContact CD1-CD1 3.71Å; L241-L542 HydrophobicContact CD2-CD1 3.65Å; L241-L542 HydrophobicContact CG-CD1 4.35Å; M301-L542 HydrophobicContact CB-CD2 4.08Å; M301-L542 HydrophobicContact CE-CD2 3.58Å; M301-L542 HydrophobicContact CG-CD2 4.49Å; L303-L542 HydrophobicContact CD1-CD1 3.7Å; L303-L542 HydrophobicContact CD1-CG 4.32Å; V328-L542 HydrophobicContact CB-CD2 4.33Å; V328-L542 HydrophobicContact CG2-CD2 3.7Å; V328-L542 HydrophobicContact CG2-CG 3.89Å; Q538-L542 PolarHBondContact O-N 2.86Å; A539-L542 PolarHBondContact O-N 3.24Å; L542-E544 PolarHBondContact O-N 3.35Å; L542-Y546 WeakPolarHBondContact O-CB 3.45Å; L542-Y546 PolarHBondContact O-N 3.29Å
543	I	97.1	Very high	96	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.036	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-42.6	177.5	-72	162.9	0	0	0	111.2	V3 P218 L219 L244 A539 L540 N547	V3-I543 HydrophobicContact CG2-CG2 3.81Å; P218-I543 HydrophobicContact CB-CG1 4.29Å; P218-I543 HydrophobicContact CB-CG2 4.08Å; P218-I543 HydrophobicContact CG-CD1 3.97Å; P218-I543 HydrophobicContact CG-CG1 4.08Å; L219-I543 HydrophobicContact CD1-CG1 4.2Å; L219-I543 HydrophobicContact CD2-CB 4.45Å; L219-I543 HydrophobicContact CD2-CG1 3.8Å; L219-I543 HydrophobicContact CG-CG1 3.83Å; L244-I543 HydrophobicContact CD1-CD1 4.04Å; L244-I543 HydrophobicContact CD2-CD1 4.24Å; A539-I543 WeakPolarHBondContact O-CD1 3.19Å; A539-I543 VanDerWaalsContact O-CG1 3.31Å; A539-I543 WeakPolarHBondContact O-CG1 3.47Å; A539-I543 PolarHBondContact O-N 3.01Å; L540-I543 HydrophobicContact CD2-CD1 4.19Å; L540-I543 PolarHBondContact O-N 2.96Å; I543-N547 VanDerWaalsContact O-CB 3.31Å; I543-N547 WeakPolarHBondContact O-CB 3.49Å; I543-N547 PolarHBondContact O-N 3.01Å; I543-N547 VanDerWaalsContact O-N 3.15Å; I543-N547 PolarHBondContact O-ND2 3.3Å
544	E	96.1	Very high	95.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-53.8	176.8	174.6	62.2	-113.2	0	0	112.2	V3 M352 L540 A541 L542 Y546 N547 A548 R552 Y553 M564	V3-E544 HydrophobicContact CG2-CB 4.04Å; M352-E544 HydrophobicContact CE-CB 4.27Å; M352-E544 HydrophobicContact CE-CG 3.78Å; L540-E544 PolarHBondContact O-N 3.29Å; A541-E544 PolarHBondContact O-N 2.9Å; L542-E544 PolarHBondContact O-N 3.35Å; E544-Y546 VanDerWaalsContact C-N 3.34Å; E544-Y546 PolarHBondContact O-N 2.84Å; E544-N547 PolarHBondContact O-N 3.22Å; E544-A548 WeakPolarHBondContact O-CB 3.48Å; E544-A548 PolarHBondContact O-N 3.09Å; E544-R552 IonicContact OE1-CZ 3.4Å; E544-R552 IonicContact OE1-NE 3.97Å; E544-R552 PolarHBondContact OE1-NE 3.41Å; E544-R552 IonicContact OE1-NH2 2.73Å; E544-R552 PolarHBondContact OE1-NH2 2.95Å; E544-R552 IonicContact OE2-CZ 2.73Å; E544-R552 IonicContact OE2-NE 2.77Å; E544-R552 IonicContact OE2-NH2 3.71Å; E544-R552 PolarHBondContact OE2-NH2 3.01Å; E544-Y553 VanDerWaalsContact CD-OH 3.31Å; E544-Y553 HydrophobicContact CG-CE2 3.9Å; E544-Y553 VanDerWaalsContact CG-OH 3.25Å; E544-Y553 WeakPolarHBondContact CG-OH 3.33Å; E544-Y553 WeakPolarHBondContact OE1-CE2 3.19Å; E544-Y553 PolarHBondContact OE1-OH 3.05Å; E544-M564 HydrophobicContact CB-CE 3.94Å; E544-M564 HydrophobicContact CB-SD 4.13Å; E544-M564 HydrophobicContact CG-SD 4.3Å
545	L	96.9	Very high	95.8	Very high	8 Å²	8	41.8 Å²	41.8	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-38.6	179.9	-69.4	179	0	0	0	112.8	M301 I327 V328 P350 M352 A541 Y553	M301-L545 HydrophobicContact CE-CB 3.69Å; M301-L545 HydrophobicContact CE-CD1 4.24Å; I327-L545 WeakPolarHBondContact O-CD1 3.48Å; V328-L545 HydrophobicContact CG2-CD1 3.9Å; P350-L545 HydrophobicContact CB-CD2 4.21Å; P350-L545 HydrophobicContact CG-CD2 4.33Å; M352-L545 HydrophobicContact CB-CD1 3.98Å; M352-L545 HydrophobicContact CB-CG 4.45Å; M352-L545 HydrophobicContact CE-CD2 3.92Å; M352-L545 HydrophobicContact CE-CG 3.99Å; A541-L545 PolarHBondContact O-N 3.09Å; L545-Y553 HydrophobicContact CD2-CD2 3.99Å; L545-Y553 HydrophobicContact CD2-CE2 4.25Å; L545-Y553 HydrophobicContact CD2-CG 4.38Å
546	Y	97.1	Very high	95.7	Very high	36 Å²	36	44.6 Å²	44.6	14%	0.141	23%	0.232	C	C	.	.	H	α-helix	trans	-72.2	-30.9	-177.9	-174.6	-103.1	0	0	0	113.6	L219 A220 G221 A222 M301 K325 L542 E544	L219-Y546 HydrophobicContact CD2-CD1 4.22Å; L219-Y546 HydrophobicContact CD2-CG 4.3Å; A220-Y546 WeakPolarHBondContact O-CE1 3.43Å; A220-Y546 PolarHBondContact O-OH 2.69Å; G221-Y546 WeakPolarHBondContact CA-OH 3.25Å; G221-Y546 PolarHBondContact O-OH 3.43Å; A222-Y546 HydrophobicContact CB-CD1 4.39Å; A222-Y546 HydrophobicContact CB-CD2 3.87Å; A222-Y546 HydrophobicContact CB-CE1 4.29Å; A222-Y546 HydrophobicContact CB-CE2 3.77Å; A222-Y546 HydrophobicContact CB-CG 4.2Å; A222-Y546 PolarHBondContact N-OH 3.4Å; M301-Y546 HydrophobicContact CG-CD2 3.95Å; M301-Y546 HydrophobicContact SD-CD2 4.11Å; K325-Y546 HydrophobicContact CD-CD2 3.64Å; K325-Y546 HydrophobicContact CD-CE2 3.81Å; K325-Y546 PolarHBondContact NZ-O 2.86Å; L542-Y546 WeakPolarHBondContact O-CB 3.45Å; L542-Y546 PolarHBondContact O-N 3.29Å; E544-Y546 VanDerWaalsContact C-N 3.34Å; E544-Y546 PolarHBondContact O-N 2.84Å
547	N	95.4	Very high	95.7	Very high	42 Å²	42	45.1 Å²	45.1	23%	0.225	24%	0.235	C	C	.	.	H	α-helix	trans	-103.3	1.2	-179.4	-68.1	-86.9	0	0	0	114.4	P218 I543 E544 P549	P218-N547 PolarHBondContact O-ND2 2.89Å; I543-N547 VanDerWaalsContact O-CB 3.31Å; I543-N547 WeakPolarHBondContact O-CB 3.49Å; I543-N547 PolarHBondContact O-N 3.01Å; I543-N547 VanDerWaalsContact O-N 3.15Å; I543-N547 PolarHBondContact O-ND2 3.3Å; E544-N547 PolarHBondContact O-N 3.22Å; N547-P549 WeakPolarHBondContact O-CD 3.06Å
548	A	94.3	Very high	95.6	Very high	27 Å²	27	48 Å²	48	22%	0.223	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-56.5	128.5	176.1	0	0	0	0	0	110.6	E544 R552 Y553	E544-A548 WeakPolarHBondContact O-CB 3.48Å; E544-A548 PolarHBondContact O-N 3.09Å; A548-R552 HydrophobicContact CB-CB 4.4Å; A548-Y553 HydrophobicContact CB-CD2 3.69Å; A548-Y553 HydrophobicContact CB-CE2 3.88Å
549	P	93.4	Very high	95.4	Very high	72 Å²	72	52.4 Å²	52.4	47%	0.468	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-56.1	145.9	166.6	-25.7	35.5	0	0	0	111.2	N547 G551 R552	N547-P549 WeakPolarHBondContact O-CD 3.06Å; P549-G551 PolarHBondContact O-N 2.75Å; P549-R552 WeakPolarHBondContact O-CB 3.39Å; P549-R552 PolarHBondContact O-N 2.81Å
550	E	89.5	Confident	95.1	Very high	206 Å²	206	52.7 Å²	52.7	96%	0.963	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	134.5	179.4	-169.7	171.4	-178.4	0	0	111.1	R552	E550-R552 VanDerWaalsContact C-N 3.31Å; E550-R552 PolarHBondContact O-N 3.21Å
551	G	89.7	Confident	94.8	Very high	63 Å²	63	54.3 Å²	54.3	65%	0.649	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-6.8	-176	0	0	0	0	0	116.5	P549 Y553	P549-G551 PolarHBondContact O-N 2.75Å; G551-Y553 VanDerWaalsContact C-N 3.34Å; G551-Y553 PolarHBondContact O-N 2.97Å
552	R	94.1	Very high	94.6	Very high	80 Å²	80	55.8 Å²	55.8	30%	0.302	29%	0.288	S	S	.	.	S	Bend	trans	-60.8	-41.2	175.2	175.3	174.2	165.8	108.9	-6.3	112.5	E544 A548 P549 E550	E544-R552 IonicContact OE1-CZ 3.4Å; E544-R552 IonicContact OE1-NE 3.97Å; E544-R552 PolarHBondContact OE1-NE 3.41Å; E544-R552 IonicContact OE1-NH2 2.73Å; E544-R552 PolarHBondContact OE1-NH2 2.95Å; E544-R552 IonicContact OE2-CZ 2.73Å; E544-R552 IonicContact OE2-NE 2.77Å; E544-R552 IonicContact OE2-NH2 3.71Å; E544-R552 PolarHBondContact OE2-NH2 3.01Å; A548-R552 HydrophobicContact CB-CB 4.4Å; P549-R552 WeakPolarHBondContact O-CB 3.39Å; P549-R552 PolarHBondContact O-N 2.81Å; E550-R552 VanDerWaalsContact C-N 3.31Å; E550-R552 PolarHBondContact O-N 3.21Å
553	Y	95.6	Very high	94.4	Very high	35 Å²	35	58.9 Å²	58.9	14%	0.137	30%	0.302	C	S	.	.	S	Bend	trans	-117.1	139	174.1	-62.1	-71.2	0	0	0	109.6	E544 L545 A548 G551 Y558	E544-Y553 VanDerWaalsContact CD-OH 3.31Å; E544-Y553 HydrophobicContact CG-CE2 3.9Å; E544-Y553 VanDerWaalsContact CG-OH 3.25Å; E544-Y553 WeakPolarHBondContact CG-OH 3.33Å; E544-Y553 WeakPolarHBondContact OE1-CE2 3.19Å; E544-Y553 PolarHBondContact OE1-OH 3.05Å; L545-Y553 HydrophobicContact CD2-CD2 3.99Å; L545-Y553 HydrophobicContact CD2-CE2 4.25Å; L545-Y553 HydrophobicContact CD2-CG 4.38Å; A548-Y553 HydrophobicContact CB-CD2 3.69Å; A548-Y553 HydrophobicContact CB-CE2 3.88Å; G551-Y553 VanDerWaalsContact C-N 3.34Å; G551-Y553 PolarHBondContact O-N 2.97Å; Y553-Y558 AromaticContact CD1-CD1 3.78Å; Y553-Y558 HydrophobicContact CD1-CD1 3.78Å; Y553-Y558 AromaticContact CD1-CD2 3.59Å; Y553-Y558 HydrophobicContact CD1-CD2 3.59Å; Y553-Y558 AromaticContact CD1-CE1 3.97Å; Y553-Y558 HydrophobicContact CD1-CE1 3.97Å; Y553-Y558 AromaticContact CD1-CE2 3.79Å; Y553-Y558 HydrophobicContact CD1-CE2 3.79Å; Y553-Y558 AromaticContact CD1-CG 3.59Å; Y553-Y558 HydrophobicContact CD1-CG 3.59Å; Y553-Y558 AromaticContact CD1-CZ 3.97Å; Y553-Y558 HydrophobicContact CE1-CD1 4.06Å; Y553-Y558 HydrophobicContact CE1-CD2 4.37Å; Y553-Y558 AromaticContact CE1-CG 3.95Å; Y553-Y558 HydrophobicContact CE1-CG 3.95Å; Y553-Y558 HydrophobicContact CG-CD2 4.34Å; Y553-Y558 HydrophobicContact CG-CE2 4.34Å
554	K	94.4	Very high	94.2	Very high	158 Å²	158	59 Å²	59	69%	0.687	30%	0.302	S	S	*	.			trans	-96.9	-176	174.1	-58.9	-176	-179.4	-179.5	0	109.7	P350 D556 Y558	P350-K554 WeakPolarHBondContact CA-O 3.27Å; P350-K554 WeakPolarHBondContact CB-O 3.48Å; K554-D556 PolarHBondContact O-N 3.42Å; K554-Y558 WeakPolarHBondContact CB-OH 3.46Å; K554-Y558 PolarHBondContact N-OH 3.42Å
555	Q	93.9	Very high	94.1	Very high	125 Å²	125	59.5 Å²	59.5	58%	0.584	31%	0.305	S	S	*	.	S	Bend	trans	-77.4	58.7	-179.9	-58.7	176.2	-38.8	0	0	111.6	C348	C348-Q555 WeakPolarHBondContact O-CG 3.15Å; C348-Q555 PolarHBondContact O-NE2 3.29Å
556	D	96.7	Very high	94.1	Very high	65 Å²	65	61.2 Å²	61.2	35%	0.348	31%	0.312	S	S	.	.	S	Bend	trans	-143.5	174.2	-172.9	-156.5	-0.4	0	0	0	111.3	S342 A351 K554 Y558	S342-D556 WeakPolarHBondContact CB-OD1 3.29Å; S342-D556 PolarHBondContact OG-OD1 2.64Å; A351-D556 PolarHBondContact N-O 3.33Å; K554-D556 PolarHBondContact O-N 3.42Å; D556-Y558 HydrophobicContact CB-CE2 4.04Å; D556-Y558 WeakPolarHBondContact O-CD2 3.46Å; D556-Y558 WeakPolarHBondContact O-CE2 3.31Å
557	V	97.6	Very high	94.1	Very high	12 Å²	12	60.6 Å²	60.6	7%	0.073	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.3	-176.8	-173.4	0	0	0	0	110.5	L338 Y339 L347 A351 N353	L338-V557 HydrophobicContact CB-CG2 3.78Å; Y339-V557 HydrophobicContact CD1-CB 3.9Å; Y339-V557 HydrophobicContact CD1-CG1 4.35Å; Y339-V557 HydrophobicContact CD1-CG2 4.01Å; Y339-V557 HydrophobicContact CE1-CB 3.53Å; Y339-V557 HydrophobicContact CE1-CG1 3.82Å; Y339-V557 HydrophobicContact CE1-CG2 4.18Å; Y339-V557 HydrophobicContact CE2-CG1 4.13Å; Y339-V557 HydrophobicContact CG-CG2 4.46Å; L347-V557 HydrophobicContact CD2-CG2 3.93Å; A351-V557 HydrophobicContact CB-CG2 4.39Å; N353-V557 HydrophobicContact CB-CG1 3.85Å
558	Y	96.2	Very high	94.2	Very high	61 Å²	61	58.6 Å²	58.6	24%	0.239	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	149.7	-176.3	-65.7	-88.4	0	0	0	111.9	A351 M352 N353 Y553 K554 D556	A351-Y558 PolarHBondContact O-N 3Å; M352-Y558 WeakPolarHBondContact CA-O 3.44Å; N353-Y558 WeakPolarHBondContact CB-O 3.41Å; N353-Y558 PolarHBondContact N-O 3.44Å; Y553-Y558 AromaticContact CD1-CD1 3.78Å; Y553-Y558 HydrophobicContact CD1-CD1 3.78Å; Y553-Y558 AromaticContact CD1-CD2 3.59Å; Y553-Y558 HydrophobicContact CD1-CD2 3.59Å; Y553-Y558 AromaticContact CD1-CE1 3.97Å; Y553-Y558 HydrophobicContact CD1-CE1 3.97Å; Y553-Y558 AromaticContact CD1-CE2 3.79Å; Y553-Y558 HydrophobicContact CD1-CE2 3.79Å; Y553-Y558 AromaticContact CD1-CG 3.59Å; Y553-Y558 HydrophobicContact CD1-CG 3.59Å; Y553-Y558 AromaticContact CD1-CZ 3.97Å; Y553-Y558 HydrophobicContact CE1-CD1 4.06Å; Y553-Y558 HydrophobicContact CE1-CD2 4.37Å; Y553-Y558 AromaticContact CE1-CG 3.95Å; Y553-Y558 HydrophobicContact CE1-CG 3.95Å; Y553-Y558 HydrophobicContact CG-CD2 4.34Å; Y553-Y558 HydrophobicContact CG-CE2 4.34Å; K554-Y558 WeakPolarHBondContact CB-OH 3.46Å; K554-Y558 PolarHBondContact N-OH 3.42Å; D556-Y558 HydrophobicContact CB-CE2 4.04Å; D556-Y558 WeakPolarHBondContact O-CD2 3.46Å; D556-Y558 WeakPolarHBondContact O-CE2 3.31Å
559	L	93.9	Very high	94.3	Very high	97 Å²	97	59 Å²	59	51%	0.508	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	151.5	162.8	-62.3	176.2	0	0	0	109.8	M352 N353 D356	M352-L559 VanDerWaalsContact SD-C 3.58Å; N353-L559 HydrophobicContact CB-CD2 4.25Å; D356-L559 HydrophobicContact CB-CD2 3.65Å
560	L	91.1	Very high	94.4	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.037	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-58.6	138.4	172.3	-168.4	71.4	0	0	0	110.2	M352 S357 T537 A541 K562 M564	M352-L560 HydrophobicContact CE-CD1 4.13Å; M352-L560 HydrophobicContact CG-CB 4.38Å; M352-L560 HydrophobicContact CG-CD1 4.2Å; M352-L560 HydrophobicContact SD-CB 4.46Å; M352-L560 HydrophobicContact SD-CD1 4.31Å; S357-L560 WeakPolarHBondContact OG-CB 3.21Å; T537-L560 HydrophobicContact CG2-CD2 3.67Å; A541-L560 HydrophobicContact CB-CD1 3.96Å; L560-K562 PolarHBondContact O-N 2.9Å; L560-M564 HydrophobicContact CD1-CB 4.41Å; L560-M564 HydrophobicContact CD1-CE 3.95Å; L560-M564 HydrophobicContact CD1-SD 4.18Å; L560-M564 HydrophobicContact CD2-CB 3.86Å; L560-M564 HydrophobicContact CG-CB 3.97Å
561	P	92.5	Very high	94.8	Very high	38 Å²	38	48.2 Å²	48.2	25%	0.247	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-57.4	125.9	176.6	-25.2	34.6	0	0	0	111	K563 M564	P561-K563 PolarHBondContact O-N 2.79Å; P561-M564 HydrophobicContact CB-CG 4.36Å; P561-M564 HydrophobicContact CB-SD 4.26Å; P561-M564 HydrophobicContact CG-SD 3.98Å; P561-M564 WeakPolarHBondContact O-CA 3.36Å; P561-M564 VanDerWaalsContact O-CB 3.31Å; P561-M564 WeakPolarHBondContact O-CB 3.35Å; P561-M564 PolarHBondContact O-N 3.37Å
562	K	93.1	Very high	95.1	Very high	31 Å²	31	45.5 Å²	45.5	14%	0.135	22%	0.221	C	C	.	.	H	α-helix	trans	-51.4	-34.9	-170.9	-176.9	179.9	-73.8	-67.5	0	114.9	L560 M564 D565 E566 P598 K600 P601	L560-K562 PolarHBondContact O-N 2.9Å; K562-M564 PolarHBondContact O-N 2.96Å; K562-D565 VanDerWaalsContact O-CB 3.3Å; K562-D565 WeakPolarHBondContact O-CB 3.34Å; K562-D565 PolarHBondContact O-N 2.87Å; K562-D565 VanDerWaalsContact O-N 3.13Å; K562-E566 HydrophobicContact CG-CG 4.37Å; K562-E566 WeakPolarHBondContact O-CG 3.33Å; K562-E566 PolarHBondContact O-N 2.87Å; K562-P598 HydrophobicContact CB-CB 4.45Å; K562-P598 HydrophobicContact CD-CB 4.35Å; K562-P598 HydrophobicContact CG-CB 4.44Å; K562-K600 HydrophobicContact CD-CB 4.13Å; K562-K600 WeakPolarHBondContact CD-O 3.37Å; K562-K600 WeakPolarHBondContact CE-O 3.45Å; K562-P601 WeakPolarHBondContact CE-O 3.2Å
563	K	93.6	Very high	95.2	Very high	66 Å²	66	44 Å²	44	29%	0.287	22%	0.219	S	C	.	.	H	α-helix	trans	-62.5	-23.3	175.8	-179.6	160.9	178.8	153.5	0	113.5	P561 Y567 N596	P561-K563 PolarHBondContact O-N 2.79Å; K563-Y567 WeakPolarHBondContact O-CB 3.38Å; K563-Y567 PolarHBondContact O-N 2.95Å; K563-Y567 VanDerWaalsContact O-N 3.13Å; K563-N596 VanDerWaalsContact CE-O 3.25Å; K563-N596 WeakPolarHBondContact CE-O 3.38Å; K563-N596 PolarHBondContact NZ-O 2.74Å
564	M	94	Very high	95.2	Very high	10 Å²	10	47 Å²	47	5%	0.049	24%	0.242	C	C	.	.	H	α-helix	trans	-81.7	-37.5	173.3	-60	179.3	59.8	0	0	111.6	V3 L540 E544 L560 P561 K562 E566 Y567 V568	V3-M564 HydrophobicContact CB-SD 4.39Å; V3-M564 HydrophobicContact CG1-CE 3.79Å; V3-M564 HydrophobicContact CG1-SD 3.91Å; L540-M564 HydrophobicContact CB-CE 3.7Å; L540-M564 VanDerWaalsContact O-CE 3.29Å; L540-M564 WeakPolarHBondContact O-CE 3.44Å; E544-M564 HydrophobicContact CB-CE 3.94Å; E544-M564 HydrophobicContact CB-SD 4.13Å; E544-M564 HydrophobicContact CG-SD 4.3Å; L560-M564 HydrophobicContact CD1-CB 4.41Å; L560-M564 HydrophobicContact CD1-CE 3.95Å; L560-M564 HydrophobicContact CD1-SD 4.18Å; L560-M564 HydrophobicContact CD2-CB 3.86Å; L560-M564 HydrophobicContact CG-CB 3.97Å; P561-M564 HydrophobicContact CB-CG 4.36Å; P561-M564 HydrophobicContact CB-SD 4.26Å; P561-M564 HydrophobicContact CG-SD 3.98Å; P561-M564 WeakPolarHBondContact O-CA 3.36Å; P561-M564 VanDerWaalsContact O-CB 3.31Å; P561-M564 WeakPolarHBondContact O-CB 3.35Å; P561-M564 PolarHBondContact O-N 3.37Å; K562-M564 PolarHBondContact O-N 2.96Å; M564-E566 VanDerWaalsContact C-N 3.35Å; M564-Y567 PolarHBondContact O-N 2.9Å; M564-V568 WeakPolarHBondContact O-CG2 3.34Å; M564-V568 PolarHBondContact O-N 2.82Å
565	D	93.9	Very high	95.2	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.053	23%	0.229	C	C	.	.	H	α-helix	trans	-56.8	-47.9	167.2	-105.6	-37.4	0	0	0	110.9	V358 T359 K562 Y567 V568 A569	V358-D565 HydrophobicContact CB-CB 4.33Å; V358-D565 VanDerWaalsContact N-CG 3.31Å; V358-D565 PolarHBondContact N-OD1 2.87Å; V358-D565 VanDerWaalsContact N-OD1 3.16Å; V358-D565 PolarHBondContact N-OD2 3.35Å; T359-D565 WeakPolarHBondContact CB-OD1 3.5Å; T359-D565 HydrophobicContact CG2-CB 4.33Å; T359-D565 WeakPolarHBondContact CG2-O 3.28Å; T359-D565 WeakPolarHBondContact CG2-OD1 3.04Å; T359-D565 PolarHBondContact N-OD1 3.47Å; T359-D565 PolarHBondContact OG1-OD1 3.03Å; K562-D565 VanDerWaalsContact O-CB 3.3Å; K562-D565 WeakPolarHBondContact O-CB 3.34Å; K562-D565 PolarHBondContact O-N 2.87Å; K562-D565 VanDerWaalsContact O-N 3.13Å; D565-Y567 VanDerWaalsContact C-N 3.29Å; D565-Y567 PolarHBondContact O-N 2.86Å; D565-V568 PolarHBondContact O-N 2.85Å; D565-A569 PolarHBondContact O-N 3.15Å
566	E	96.9	Very high	95.3	Very high	44 Å²	44	43 Å²	43	21%	0.206	23%	0.23	C	C	.	.	H	α-helix	trans	-61.8	-35.9	176.4	-68.8	168.2	177.4	0	0	112.1	K562 M564 A569 S570 P598 F599	K562-E566 HydrophobicContact CG-CG 4.37Å; K562-E566 WeakPolarHBondContact O-CG 3.33Å; K562-E566 PolarHBondContact O-N 2.87Å; M564-E566 VanDerWaalsContact C-N 3.35Å; E566-A569 PolarHBondContact O-N 3.49Å; E566-S570 PolarHBondContact O-N 2.92Å; E566-P598 VanDerWaalsContact OE2-CA 3.27Å; E566-P598 WeakPolarHBondContact OE2-CA 3.46Å; E566-F599 HydrophobicContact CG-CD2 4.49Å; E566-F599 PolarHBondContact OE1-N 3.47Å
567	Y	95.9	Very high	95.2	Very high	23 Å²	23	45.9 Å²	45.9	9%	0.09	25%	0.245	C	C	.	.	H	α-helix	trans	-74	-35.5	176.6	178.1	-120.7	0	0	0	113.2	M10 R212 L540 K563 M564 D565 A569 S570 L571	M10-Y567 HydrophobicContact SD-CE1 3.98Å; M10-Y567 PolarHBondContact SD-OH 2.9Å; R212-Y567 PolarHBondContact NH1-OH 3.47Å; L540-Y567 HydrophobicContact CD1-CD1 3.83Å; L540-Y567 HydrophobicContact CD1-CE1 4.21Å; L540-Y567 HydrophobicContact CD2-CE1 4.31Å; K563-Y567 WeakPolarHBondContact O-CB 3.38Å; K563-Y567 PolarHBondContact O-N 2.95Å; K563-Y567 VanDerWaalsContact O-N 3.13Å; M564-Y567 PolarHBondContact O-N 2.9Å; D565-Y567 VanDerWaalsContact C-N 3.29Å; D565-Y567 PolarHBondContact O-N 2.86Å; Y567-A569 VanDerWaalsContact C-N 3.3Å; Y567-A569 PolarHBondContact O-N 2.87Å; Y567-S570 WeakPolarHBondContact CA-OG 3.35Å; Y567-S570 PolarHBondContact O-N 3.11Å; Y567-S570 PolarHBondContact O-OG 3.13Å; Y567-L571 HydrophobicContact CD1-CD1 4.24Å; Y567-L571 HydrophobicContact CD2-CG 4.31Å; Y567-L571 HydrophobicContact CE1-CD1 3.83Å; Y567-L571 HydrophobicContact CE2-CD1 4.16Å; Y567-L571 HydrophobicContact CE2-CD2 3.99Å; Y567-L571 HydrophobicContact CE2-CG 3.97Å; Y567-L571 VanDerWaalsContact O-CG 3.31Å; Y567-L571 WeakPolarHBondContact O-CG 3.48Å; Y567-L571 PolarHBondContact O-N 2.9Å; Y567-L571 VanDerWaalsContact O-N 3.1Å
568	V	97	Very high	95.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-47.9	167.8	170	0	0	0	0	109.3	T359 I533 T536 L540 M564 D565 L571 H572	T359-V568 HydrophobicContact CG2-CB 3.88Å; T359-V568 HydrophobicContact CG2-CG1 3.8Å; I533-V568 HydrophobicContact CG2-CG1 3.86Å; T536-V568 HydrophobicContact CG2-CG1 4.31Å; T536-V568 HydrophobicContact CG2-CG2 4.01Å; L540-V568 HydrophobicContact CD1-CG2 3.6Å; M564-V568 WeakPolarHBondContact O-CG2 3.34Å; M564-V568 PolarHBondContact O-N 2.82Å; D565-V568 PolarHBondContact O-N 2.85Å; V568-L571 PolarHBondContact O-N 3.12Å; V568-H572 PolarHBondContact O-ND1 3.28Å
569	A	97	Very high	95	Very high	37 Å²	37	51.9 Å²	51.9	31%	0.306	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-46.8	178.5	0	0	0	0	0	111.9	T359 D565 E566 Y567 L571 H572 L573	T359-A569 HydrophobicContact CG2-CB 4.47Å; D565-A569 PolarHBondContact O-N 3.15Å; E566-A569 PolarHBondContact O-N 3.49Å; Y567-A569 VanDerWaalsContact C-N 3.3Å; Y567-A569 PolarHBondContact O-N 2.87Å; A569-L571 VanDerWaalsContact C-N 3.29Å; A569-L571 PolarHBondContact O-N 3.4Å; A569-H572 PolarHBondContact O-N 3.08Å; A569-L573 PolarHBondContact O-N 3.43Å
570	S	96.5	Very high	95.1	Very high	39 Å²	39	53.2 Å²	53.2	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-62.5	-32.3	-179.3	66.5	0	0	0	0	113.7	E566 Y567 H572 P574	E566-S570 PolarHBondContact O-N 2.92Å; Y567-S570 WeakPolarHBondContact CA-OG 3.35Å; Y567-S570 PolarHBondContact O-N 3.11Å; Y567-S570 PolarHBondContact O-OG 3.13Å; S570-H572 PolarHBondContact O-N 3.35Å; S570-P574 WeakPolarHBondContact O-CD 3.35Å
571	L	96.5	Very high	95.4	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-68.6	-15.1	175.9	-70.8	171.9	0	0	0	114.1	A205 A208 T536 Y567 V568 A569	A205-L571 HydrophobicContact CB-CB 3.53Å; A205-L571 HydrophobicContact CB-CD1 4.23Å; A208-L571 HydrophobicContact CB-CD2 4.09Å; T536-L571 HydrophobicContact CG2-CD1 4.21Å; Y567-L571 HydrophobicContact CD1-CD1 4.24Å; Y567-L571 HydrophobicContact CD2-CG 4.31Å; Y567-L571 HydrophobicContact CE1-CD1 3.83Å; Y567-L571 HydrophobicContact CE2-CD1 4.16Å; Y567-L571 HydrophobicContact CE2-CD2 3.99Å; Y567-L571 HydrophobicContact CE2-CG 3.97Å; Y567-L571 VanDerWaalsContact O-CG 3.31Å; Y567-L571 WeakPolarHBondContact O-CG 3.48Å; Y567-L571 PolarHBondContact O-N 2.9Å; Y567-L571 VanDerWaalsContact O-N 3.1Å; V568-L571 PolarHBondContact O-N 3.12Å; A569-L571 VanDerWaalsContact C-N 3.29Å; A569-L571 PolarHBondContact O-N 3.4Å
572	H	97.4	Very high	95.5	Very high	6 Å²	6	64.5 Å²	64.5	3%	0.028	35%	0.347	C	S	.	.	H	α-helix	trans	-102.5	-20.5	179.8	-71	89.9	0	0	0	113.7	A205 F529 S532 I533 V568 A569 S570 P574 T575	A205-H572 WeakPolarHBondContact CB-CE1 3.47Å; A205-H572 WeakPolarHBondContact CB-NE2 3.25Å; F529-H572 HydrophobicContact CE1-CB 4.43Å; F529-H572 HydrophobicContact CZ-CB 3.82Å; F529-H572 AromaticContact CZ-CD2 3.91Å; S532-H572 VanDerWaalsContact C-NE2 3.33Å; S532-H572 VanDerWaalsContact CB-NE2 3.29Å; S532-H572 WeakPolarHBondContact CB-NE2 3.37Å; S532-H572 PolarHBondContact OG-NE2 3.17Å; I533-H572 PolarHBondContact N-NE2 3.4Å; V568-H572 PolarHBondContact O-ND1 3.28Å; A569-H572 PolarHBondContact O-N 3.08Å; S570-H572 PolarHBondContact O-N 3.35Å; H572-P574 VanDerWaalsContact C-CD 3.49Å; H572-T575 PolarHBondContact O-N 2.84Å
573	L	96.5	Very high	95.7	Very high	49 Å²	49	65 Å²	65	26%	0.257	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-61.4	-36	-177.9	-72.5	175.7	0	0	0	115.7	A569 T575 F576 A578 L580	A569-L573 PolarHBondContact O-N 3.43Å; L573-T575 PolarHBondContact O-N 3.2Å; L573-T575 VanDerWaalsContact O-N 3.12Å; L573-F576 PolarHBondContact O-N 3.25Å; L573-A578 HydrophobicContact CB-CB 4.13Å; L573-A578 HydrophobicContact CD2-CB 3.97Å; L573-A578 WeakPolarHBondContact O-CB 3.38Å; L573-A578 PolarHBondContact O-N 2.79Å; L573-L580 HydrophobicContact CD1-CD1 3.8Å; L573-L580 HydrophobicContact CD1-CD2 3.62Å; L573-L580 HydrophobicContact CD1-CG 3.68Å
574	P	94.6	Very high	95.8	Very high	97 Å²	97	65.1 Å²	65.1	63%	0.63	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-58.1	-26.1	179.1	-28.6	36.8	0	0	0	114.6	S570 H572 F576 D577	S570-P574 WeakPolarHBondContact O-CD 3.35Å; H572-P574 VanDerWaalsContact C-CD 3.49Å; P574-F576 PolarHBondContact O-N 2.93Å; P574-D577 PolarHBondContact O-N 2.92Å
575	T	94.8	Very high	96	Very high	67 Å²	67	69.8 Å²	69.8	41%	0.411	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-65.4	-22.3	177.2	-51	0	0	0	0	113.2	P204 F529 H572 L573	P204-T575 WeakPolarHBondContact CG-OG1 3.27Å; F529-T575 HydrophobicContact CD2-CG2 4.35Å; F529-T575 HydrophobicContact CE2-CG2 3.79Å; H572-T575 PolarHBondContact O-N 2.84Å; L573-T575 PolarHBondContact O-N 3.2Å; L573-T575 VanDerWaalsContact O-N 3.12Å
576	F	95.3	Very high	96.2	Very high	134 Å²	134	77 Å²	77	59%	0.588	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-102.6	11.6	177.9	-57.3	-60.4	0	0	0	113.4	F529 L573 P574 A578	F529-F576 HydrophobicContact CD1-CZ 4.07Å; F529-F576 AromaticContact CE1-CE2 3.49Å; F529-F576 HydrophobicContact CE1-CE2 3.49Å; F529-F576 VanDerWaalsContact CE1-CE2 3.49Å; F529-F576 AromaticContact CE1-CZ 3.38Å; F529-F576 HydrophobicContact CE1-CZ 3.38Å; F529-F576 HydrophobicContact CE2-CE2 4.31Å; F529-F576 HydrophobicContact CE2-CZ 4.15Å; F529-F576 HydrophobicContact CZ-CD2 4.31Å; F529-F576 HydrophobicContact CZ-CE1 4.46Å; F529-F576 AromaticContact CZ-CE2 3.32Å; F529-F576 HydrophobicContact CZ-CE2 3.32Å; F529-F576 AromaticContact CZ-CZ 3.42Å; F529-F576 HydrophobicContact CZ-CZ 3.42Å; F529-F576 VanDerWaalsContact CZ-CZ 3.42Å; L573-F576 PolarHBondContact O-N 3.25Å; P574-F576 PolarHBondContact O-N 2.93Å; F576-A578 HydrophobicContact CB-CB 4.22Å; F576-A578 PolarHBondContact O-N 3.07Å
577	D	95.3	Very high	96.3	Very high	124 Å²	124	79 Å²	79	66%	0.663	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	30.4	-168.8	-157.1	25.5	0	0	0	112.6	P574 H579	P574-D577 PolarHBondContact O-N 2.92Å; D577-H579 PolarHBondContact O-CE1 2.91Å; D577-H579 PolarHBondContact O-N 3.26Å; D577-H579 PolarHBondContact O-ND1 3.28Å; D577-H579 IonicContact OD1-CE1 2.7Å; D577-H579 PolarHBondContact OD1-CE1 3.13Å
578	A	96.1	Very high	96.4	Very high	40 Å²	40	78.3 Å²	78.3	33%	0.331	42%	0.423	S	S	.	.			trans	-86.7	109.2	-170.9	0	0	0	0	0	111.6	L573 F576	L573-A578 HydrophobicContact CB-CB 4.13Å; L573-A578 HydrophobicContact CD2-CB 3.97Å; L573-A578 WeakPolarHBondContact O-CB 3.38Å; L573-A578 PolarHBondContact O-N 2.79Å; F576-A578 HydrophobicContact CB-CB 4.22Å; F576-A578 PolarHBondContact O-N 3.07Å
579	H	93.8	Very high	96.4	Very high	160 Å²	160	86.9 Å²	86.9	74%	0.741	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-86.2	127.1	175.6	-48.2	-28.4	0	0	0	111.1	D577	D577-H579 PolarHBondContact O-CE1 2.91Å; D577-H579 PolarHBondContact O-N 3.26Å; D577-H579 PolarHBondContact O-ND1 3.28Å; D577-H579 IonicContact OD1-CE1 2.7Å; D577-H579 PolarHBondContact OD1-CE1 3.13Å
580	L	95.6	Very high	96.4	Very high	125 Å²	125	94.8 Å²	94.8	65%	0.654	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-83.4	137.3	175.1	-74.2	176.5	0	0	0	111.6	L573 E582	L573-L580 HydrophobicContact CD1-CD1 3.8Å; L573-L580 HydrophobicContact CD1-CD2 3.62Å; L573-L580 HydrophobicContact CD1-CG 3.68Å; L580-E582 PolarHBondContact O-N 2.86Å
581	T	96.8	Very high	96.4	Very high	138 Å²	138	97.5 Å²	97.5	85%	0.847	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-73.8	121	168.5	-52	0	0	0	0	110.4
582	E	95.8	Very high	96.4	Very high	144 Å²	144	100.2 Å²	100.2	67%	0.673	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-80.2	147.3	173	-60.9	-169.7	166.1	0	0	112.1	L580	L580-E582 PolarHBondContact O-N 2.86Å
583	L	95.8	Very high	96.3	Very high	41 Å²	41	103 Å²	103	22%	0.215	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-83.7	129.6	175.5	-67.4	176.2	0	0	0	111.3	Q587 A588 L591 F599	L583-Q587 HydrophobicContact CB-CB 4.5Å; L583-Q587 HydrophobicContact CD2-CB 4.15Å; L583-A588 HydrophobicContact CB-CB 4.35Å; L583-L591 HydrophobicContact CD1-CD1 4.46Å; L583-L591 HydrophobicContact CD2-CD1 4.33Å; L583-F599 HydrophobicContact CD1-CD1 4.25Å; L583-F599 HydrophobicContact CD1-CE1 4.11Å
584	T	97.4	Very high	96.2	Very high	68 Å²	68	105.3 Å²	105.3	42%	0.417	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-66.7	159.7	168.6	74.8	0	0	0	0	111.3	E586 Q587 A588	T584-E586 PolarHBondContact O-N 2.98Å; T584-Q587 PolarHBondContact O-N 3.4Å; T584-Q587 VanDerWaalsContact O-N 3.16Å; T584-Q587 WeakPolarHBondContact OG1-CG 3.1Å; T584-Q587 PolarHBondContact OG1-N 3.07Å; T584-A588 WeakPolarHBondContact O-CB 3.12Å; T584-A588 PolarHBondContact O-N 2.9Å
585	D	97.8	Very high	96.2	Very high	109 Å²	109	104.4 Å²	104.4	58%	0.583	54%	0.539	S	S	*	.	H	α-helix	trans	-51.5	-40.4	173.5	-66.6	69.5	0	0	0	112.8	K589 K595	D585-K589 WeakPolarHBondContact O-CB 3.49Å; D585-K589 PolarHBondContact O-N 2.74Å; D585-K595 VanDerWaalsContact CG-CE 3.41Å; D585-K595 WeakPolarHBondContact OD1-CE 3.46Å; D585-K595 IonicContact OD1-NZ 3.19Å; D585-K595 PolarHBondContact OD1-NZ 3.43Å; D585-K595 WeakPolarHBondContact OD2-CE 3.44Å; D585-K595 IonicContact OD2-NZ 3.48Å; D585-K595 PolarHBondContact OD2-NZ 2.67Å
586	E	98.2	Very high	96	Very high	161 Å²	161	104.8 Å²	104.8	75%	0.752	54%	0.539	S	S	*	.	H	α-helix	trans	-69.5	-43.6	179.2	-58.8	-173.3	151.8	0	0	111.8	T584 K589 Y590	T584-E586 PolarHBondContact O-N 2.98Å; E586-K589 PolarHBondContact O-N 3.34Å; E586-Y590 VanDerWaalsContact O-CB 3.24Å; E586-Y590 WeakPolarHBondContact O-CB 3.28Å; E586-Y590 PolarHBondContact O-N 3.13Å
587	Q	98.3	Very high	96	Very high	87 Å²	87	98.6 Å²	98.6	41%	0.407	51%	0.513	S	S	.	.	H	α-helix	trans	-65	-45.8	176.7	-70.5	168.5	-13.4	0	0	111.8	L583 T584 K589 Y590 L591	L583-Q587 HydrophobicContact CB-CB 4.5Å; L583-Q587 HydrophobicContact CD2-CB 4.15Å; T584-Q587 PolarHBondContact O-N 3.4Å; T584-Q587 VanDerWaalsContact O-N 3.16Å; T584-Q587 WeakPolarHBondContact OG1-CG 3.1Å; T584-Q587 PolarHBondContact OG1-N 3.07Å; Q587-K589 PolarHBondContact O-N 3.02Å; Q587-Y590 PolarHBondContact O-N 3.06Å; Q587-L591 WeakPolarHBondContact O-CB 3.43Å; Q587-L591 WeakPolarHBondContact O-CG 3.46Å; Q587-L591 PolarHBondContact O-N 3.13Å
588	A	97.6	Very high	96	Very high	7 Å²	7	95.6 Å²	95.6	6%	0.058	50%	0.5	C	S	.	.	H	α-helix	trans	-62.5	-43.2	177.9	0	0	0	0	0	111.4	L583 T584 L591 G592 L593 K595	L583-A588 HydrophobicContact CB-CB 4.35Å; T584-A588 WeakPolarHBondContact O-CB 3.12Å; T584-A588 PolarHBondContact O-N 2.9Å; A588-L591 PolarHBondContact O-N 3.16Å; A588-G592 PolarHBondContact O-N 2.63Å; A588-L593 PolarHBondContact O-N 3.16Å; A588-K595 HydrophobicContact CB-CG 3.74Å
589	K	97.4	Very high	96	Very high	181 Å²	181	97.4 Å²	97.4	79%	0.787	50%	0.501	S	S	*	.	H	α-helix	trans	-63.7	-42.3	174.1	-177.7	180	176.2	-175.2	0	112.5	D585 E586 Q587 G592	D585-K589 WeakPolarHBondContact O-CB 3.49Å; D585-K589 PolarHBondContact O-N 2.74Å; E586-K589 PolarHBondContact O-N 3.34Å; Q587-K589 PolarHBondContact O-N 3.02Å; K589-G592 PolarHBondContact O-N 2.92Å
590	Y	97.8	Very high	96.1	Very high	202 Å²	202	93.8 Å²	93.8	79%	0.792	48%	0.483	S	S	*	.	H	α-helix	trans	-63.8	-41.4	177.8	176.2	-97.1	0	0	0	112.3	E586 Q587 G592	E586-Y590 VanDerWaalsContact O-CB 3.24Å; E586-Y590 WeakPolarHBondContact O-CB 3.28Å; E586-Y590 PolarHBondContact O-N 3.13Å; Q587-Y590 PolarHBondContact O-N 3.06Å; Y590-G592 VanDerWaalsContact C-N 3.31Å
591	L	96.6	Very high	96	Very high	97 Å²	97	90.4 Å²	90.4	51%	0.508	47%	0.468	S	S	.	.	H	α-helix	trans	-78.1	-13.2	177.4	-65	174.1	0	0	0	113.6	L583 Q587 A588 L593	L583-L591 HydrophobicContact CD1-CD1 4.46Å; L583-L591 HydrophobicContact CD2-CD1 4.33Å; Q587-L591 WeakPolarHBondContact O-CB 3.43Å; Q587-L591 WeakPolarHBondContact O-CG 3.46Å; Q587-L591 PolarHBondContact O-N 3.13Å; A588-L591 PolarHBondContact O-N 3.16Å; L591-L593 VanDerWaalsContact C-N 3.3Å; L591-L593 HydrophobicContact CB-CB 4.34Å; L591-L593 HydrophobicContact CB-CD1 3.99Å; L591-L593 HydrophobicContact CB-CG 3.95Å; L591-L593 HydrophobicContact CD1-CD1 4.31Å
592	G	95.9	Very high	95.7	Very high	68 Å²	68	90.7 Å²	90.7	70%	0.701	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	27.6	-173.2	0	0	0	0	0	113.6	A588 K589 Y590	A588-G592 PolarHBondContact O-N 2.63Å; K589-G592 PolarHBondContact O-N 2.92Å; Y590-G592 VanDerWaalsContact C-N 3.31Å
593	L	94.7	Very high	95.5	Very high	64 Å²	64	93.2 Å²	93.2	34%	0.335	47%	0.469	S	S	.	.			trans	-114.1	159.5	-174.1	-63.3	179.2	0	0	0	112.2	A588 L591	A588-L593 PolarHBondContact O-N 3.16Å; L591-L593 VanDerWaalsContact C-N 3.3Å; L591-L593 HydrophobicContact CB-CB 4.34Å; L591-L593 HydrophobicContact CB-CD1 3.99Å; L591-L593 HydrophobicContact CB-CG 3.95Å; L591-L593 HydrophobicContact CD1-CD1 4.31Å
594	N	94.6	Very high	95.5	Very high	97 Å²	97	96.2 Å²	96.2	52%	0.519	48%	0.479	S	S	.	.			trans	-79.7	135.4	165.5	-170.2	-50.7	0	0	0	109.2	N596 G597	N594-N596 PolarHBondContact O-N 3.17Å; N594-N596 VanDerWaalsContact O-N 3.09Å; N594-N596 PolarHBondContact OD1-N 2.65Å; N594-G597 PolarHBondContact O-N 3.48Å
595	K	94.3	Very high	95.1	Very high	78 Å²	78	103.7 Å²	103.7	34%	0.339	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-32.3	175.3	-60.2	-178.9	-170.5	178.1	0	113.1	D585 A588 F599	D585-K595 VanDerWaalsContact CG-CE 3.41Å; D585-K595 WeakPolarHBondContact OD1-CE 3.46Å; D585-K595 IonicContact OD1-NZ 3.19Å; D585-K595 PolarHBondContact OD1-NZ 3.43Å; D585-K595 WeakPolarHBondContact OD2-CE 3.44Å; D585-K595 IonicContact OD2-NZ 3.48Å; D585-K595 PolarHBondContact OD2-NZ 2.67Å; A588-K595 HydrophobicContact CB-CG 3.74Å; K595-F599 WeakPolarHBondContact O-CE1 3.34Å; K595-F599 WeakPolarHBondContact O-CZ 3.45Å
596	N	92.4	Very high	94.3	Very high	76 Å²	76	102.4 Å²	102.4	41%	0.406	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	24.7	-175	-56.7	6.9	0	0	0	111.4	K563 N594	K563-N596 VanDerWaalsContact CE-O 3.25Å; K563-N596 WeakPolarHBondContact CE-O 3.38Å; K563-N596 PolarHBondContact NZ-O 2.74Å; N594-N596 PolarHBondContact O-N 3.17Å; N594-N596 VanDerWaalsContact O-N 3.09Å; N594-N596 PolarHBondContact OD1-N 2.65Å
597	G	93.7	Very high	94.1	Very high	4 Å²	4	99.5 Å²	99.5	4%	0.041	47%	0.473	C	S	.	.	S	Bend	trans	72.6	171.7	176.9	0	0	0	0	0	116.2	N594	N594-G597 PolarHBondContact O-N 3.48Å
598	P	95.6	Very high	93.9	Very high	61 Å²	61	100.1 Å²	100.1	40%	0.396	48%	0.477	S	S	.	.			cis	-71.1	138.7	8.2	27.9	-34.6	0	0	0	114.2	K562 E566	K562-P598 HydrophobicContact CB-CB 4.45Å; K562-P598 HydrophobicContact CD-CB 4.35Å; K562-P598 HydrophobicContact CG-CB 4.44Å; E566-P598 VanDerWaalsContact OE2-CA 3.27Å; E566-P598 WeakPolarHBondContact OE2-CA 3.46Å
599	F	96.5	Very high	93.6	Very high	78 Å²	78	105.3 Å²	105.3	34%	0.342	50%	0.5	S	S	.	.			trans	-88.5	-4.5	-171	-64.8	-73.7	0	0	0	114.2	E566 L583 K595	E566-F599 HydrophobicContact CG-CD2 4.49Å; E566-F599 PolarHBondContact OE1-N 3.47Å; L583-F599 HydrophobicContact CD1-CD1 4.25Å; L583-F599 HydrophobicContact CD1-CE1 4.11Å; K595-F599 WeakPolarHBondContact O-CE1 3.34Å; K595-F599 WeakPolarHBondContact O-CZ 3.45Å
600	K	96.5	Very high	93.4	Very high	84 Å²	84	100.8 Å²	100.8	37%	0.365	48%	0.483	S	S	.	.	S	Bend	trans	-145.5	149	-177.5	-60.3	-66.2	177.1	-62.6	0	111.1	K562 Y604	K562-K600 HydrophobicContact CD-CB 4.13Å; K562-K600 WeakPolarHBondContact CD-O 3.37Å; K562-K600 WeakPolarHBondContact CE-O 3.45Å; K600-Y604 HydrophobicContact CB-CD1 3.48Å; K600-Y604 VanDerWaalsContact CB-CD1 3.48Å; K600-Y604 HydrophobicContact CB-CE1 4.21Å; K600-Y604 HydrophobicContact CB-CG 4.01Å; K600-Y604 HydrophobicContact CD-CD1 3.48Å; K600-Y604 VanDerWaalsContact CD-CD1 3.48Å; K600-Y604 HydrophobicContact CD-CE1 3.34Å; K600-Y604 HydrophobicContact CD-CG 4.14Å; K600-Y604 HydrophobicContact CG-CD1 3.34Å; K600-Y604 HydrophobicContact CG-CE1 3.54Å; K600-Y604 HydrophobicContact CG-CG 4.24Å
601	P	93.3	Very high	93.2	Very high	54 Å²	54	94.5 Å²	94.5	35%	0.351	46%	0.464	S	S	.	.			trans	-70.9	159.5	175.6	29.8	-34.3	0	0	0	111.9	K562 Y603 Y604	K562-P601 WeakPolarHBondContact CE-O 3.2Å; P601-Y603 VanDerWaalsContact C-N 3.26Å; P601-Y603 HydrophobicContact CB-CD1 4.02Å; P601-Y603 HydrophobicContact CB-CE1 3.59Å; P601-Y603 HydrophobicContact CB-CE2 4.22Å; P601-Y603 HydrophobicContact CG-CD1 4.42Å; P601-Y603 HydrophobicContact CG-CD2 4.18Å; P601-Y603 HydrophobicContact CG-CE1 3.89Å; P601-Y603 HydrophobicContact CG-CE2 3.59Å; P601-Y603 VanDerWaalsContact CG-CZ 3.43Å; P601-Y603 PolarHBondContact O-N 2.93Å; P601-Y604 WeakPolarHBondContact O-CB 3.38Å; P601-Y604 PolarHBondContact O-N 2.8Å
602	N	90.4	Very high	92.9	Very high	144 Å²	144	94.3 Å²	94.3	77%	0.77	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.3	-174.7	-68.7	-7.3	0	0	0	114.4	Y604	N602-Y604 VanDerWaalsContact C-N 3.26Å; N602-Y604 PolarHBondContact O-N 3.31Å
603	Y	90.6	Very high	92.7	Very high	196 Å²	196	96.2 Å²	96.2	77%	0.769	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-3.8	176.9	59.9	-105.4	0	0	0	113.9	P601 R605	P601-Y603 VanDerWaalsContact C-N 3.26Å; P601-Y603 HydrophobicContact CB-CD1 4.02Å; P601-Y603 HydrophobicContact CB-CE1 3.59Å; P601-Y603 HydrophobicContact CB-CE2 4.22Å; P601-Y603 HydrophobicContact CG-CD1 4.42Å; P601-Y603 HydrophobicContact CG-CD2 4.18Å; P601-Y603 HydrophobicContact CG-CE1 3.89Å; P601-Y603 HydrophobicContact CG-CE2 3.59Å; P601-Y603 VanDerWaalsContact CG-CZ 3.43Å; P601-Y603 PolarHBondContact O-N 2.93Å; Y603-R605 PolarHBondContact O-N 3.07Å
604	Y	95	Very high	92.6	Very high	105 Å²	105	98.7 Å²	98.7	41%	0.412	45%	0.452	S	S	.	.			trans	-74.4	122.2	-177.6	-173.2	-118.3	0	0	0	110.8	K600 P601 N602 Y606	K600-Y604 HydrophobicContact CB-CD1 3.48Å; K600-Y604 VanDerWaalsContact CB-CD1 3.48Å; K600-Y604 HydrophobicContact CB-CE1 4.21Å; K600-Y604 HydrophobicContact CB-CG 4.01Å; K600-Y604 HydrophobicContact CD-CD1 3.48Å; K600-Y604 VanDerWaalsContact CD-CD1 3.48Å; K600-Y604 HydrophobicContact CD-CE1 3.34Å; K600-Y604 HydrophobicContact CD-CG 4.14Å; K600-Y604 HydrophobicContact CG-CD1 3.34Å; K600-Y604 HydrophobicContact CG-CE1 3.54Å; K600-Y604 HydrophobicContact CG-CG 4.24Å; P601-Y604 WeakPolarHBondContact O-CB 3.38Å; P601-Y604 PolarHBondContact O-N 2.8Å; N602-Y604 VanDerWaalsContact C-N 3.26Å; N602-Y604 PolarHBondContact O-N 3.31Å; Y604-Y606 VanDerWaalsContact C-N 3.34Å; Y604-Y606 VanDerWaalsContact CD1-C 3.42Å; Y604-Y606 WeakPolarHBondContact CD1-OXT 3.22Å; Y604-Y606 WeakPolarHBondContact CE1-O 3.31Å; Y604-Y606 WeakPolarHBondContact CE1-OXT 3.46Å; Y604-Y606 PolarHBondContact O-N 2.78Å; Y604-Y606 VanDerWaalsContact O-N 3.09Å
605	R	90.8	Very high	92.4	Very high	225 Å²	225	98.8 Å²	98.8	85%	0.849	45%	0.447	S	S	*	.			trans	-82.3	81.2	177.9	-57.3	-174.5	-169.5	97.9	-4.1	109.5	Y603	Y603-R605 PolarHBondContact O-N 3.07Å
606	Y	79.5	Confident	92.2	Very high	81 Å²	81	100.7 Å²	100.7	32%	0.318	46%	0.456	S	S	.	.			trans	86	0	174.8	-62.4	-81	0	0	0	116.6	V358 Q361 K362 Y604	V358-Y606 HydrophobicContact CB-CD1 4.11Å; V358-Y606 HydrophobicContact CB-CE1 3.86Å; V358-Y606 HydrophobicContact CG1-CD1 3.71Å; V358-Y606 HydrophobicContact CG1-CE1 3.9Å; V358-Y606 HydrophobicContact CG2-CD1 3.86Å; V358-Y606 HydrophobicContact CG2-CE1 3.7Å; V358-Y606 WeakPolarHBondContact O-CE1 3.38Å; Q361-Y606 VanDerWaalsContact CB-OH 3.26Å; Q361-Y606 WeakPolarHBondContact CB-OH 3.17Å; Q361-Y606 VanDerWaalsContact CG-OH 3.27Å; Q361-Y606 WeakPolarHBondContact CG-OH 3.43Å; Q361-Y606 PolarHBondContact OE1-OH 3.18Å; K362-Y606 HydrophobicContact CB-CD1 3.86Å; K362-Y606 HydrophobicContact CB-CE1 3.72Å; K362-Y606 HydrophobicContact CD-CD1 4.42Å; K362-Y606 HydrophobicContact CD-CD2 4.33Å; K362-Y606 HydrophobicContact CD-CE1 4.4Å; K362-Y606 HydrophobicContact CD-CE2 4.36Å; K362-Y606 HydrophobicContact CD-CG 4.4Å; K362-Y606 VanDerWaalsContact CE-CD2 3.47Å; K362-Y606 HydrophobicContact CG-CD1 3.22Å; K362-Y606 HydrophobicContact CG-CD2 3.85Å; K362-Y606 HydrophobicContact CG-CE1 3.11Å; K362-Y606 HydrophobicContact CG-CE2 3.8Å; K362-Y606 HydrophobicContact CG-CG 3.6Å; K362-Y606 VanDerWaalsContact CG-CZ 3.46Å; Y604-Y606 VanDerWaalsContact C-N 3.34Å; Y604-Y606 VanDerWaalsContact CD1-C 3.42Å; Y604-Y606 WeakPolarHBondContact CD1-OXT 3.22Å; Y604-Y606 WeakPolarHBondContact CE1-O 3.31Å; Y604-Y606 WeakPolarHBondContact CE1-OXT 3.46Å; Y604-Y606 PolarHBondContact O-N 2.78Å; Y604-Y606 VanDerWaalsContact O-N 3.09Å

Retrieved 606 of 606 residues in 877.3 ms (Link to these results)

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