A0A087XCH9_POEFO Loading...

Protein O-glucosyltransferase 1

AlphaFold DB , UniProt , Accession A0A087XCH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 385 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	37.4	Very low	38.6	Very low	235 Å²	235	182.8 Å²	182.8	100%	1.158	84%	0.839	S	S	*	*				0	119.3	0	-81.9	175	-89.5	0	0	106.8
2	E	36.9	Very low	38.2	Very low	163 Å²	163	178.2 Å²	178.2	76%	0.762	83%	0.825	S	S	*	*			cis	-163	132.1	0.1	-109.5	177.8	144.5	0	0	105.9
3	R	34.2	Very low	38.3	Very low	216 Å²	216	173.5 Å²	173.5	82%	0.815	81%	0.809	S	S	*	*			trans	52.7	101.6	137.8	-68.8	174.6	151.4	-169.7	-8	121
4	W	42.4	Very low	38.4	Very low	243 Å²	243	175.7 Å²	175.7	92%	0.92	82%	0.819	S	S	*	*			trans	-45	145.6	134.2	-71.5	23.9	0	0	0	112.5
5	F	37.8	Very low	38.6	Very low	188 Å²	188	170.2 Å²	170.2	83%	0.825	80%	0.802	S	S	*	*			trans	141	125.4	168.5	-86.9	-65.7	0	0	0	106.2
6	L	38.4	Very low	38.6	Very low	122 Å²	122	167.9 Å²	167.9	64%	0.639	81%	0.808	S	S	*	*			cis	-156.5	108.2	20.3	-84.3	132.4	0	0	0	107.8	F9	L6-F9 HydrophobicContact CD2-CD2 4.34Å
7	W	38.1	Very low	38.5	Very low	277 Å²	277	162.4 Å²	162.4	100%	1.049	81%	0.806	S	S	*	*	S	Bend	trans	-105.6	93.8	155.1	-90.6	35.7	0	0	0	105.9
8	G	40	Very low	38.5	Very low	48 Å²	48	162.1 Å²	162.1	50%	0.495	81%	0.807	S	S	.	*			trans	168.1	57.1	-174.1	0	0	0	0	0	112.7
9	F	39	Very low	38.5	Very low	175 Å²	175	160.4 Å²	160.4	77%	0.768	81%	0.81	S	S	*	*	S	Bend	trans	-145	32.1	173.2	-114	-79.3	0	0	0	113.8	L6	L6-F9 HydrophobicContact CD2-CD2 4.34Å
10	L	40	Very low	38.7	Very low	174 Å²	174	157.7 Å²	157.7	91%	0.911	81%	0.807	S	S	*	*	S	Bend	trans	-137.8	12.7	171.6	-103.5	147.3	0	0	0	113.5
11	L	40.2	Very low	39.1	Very low	170 Å²	170	153.9 Å²	153.9	89%	0.89	80%	0.799	S	S	*	*			trans	-137.8	36.2	178.4	-117.9	131.4	0	0	0	111.8
12	L	33.8	Very low	39.9	Very low	127 Å²	127	150.1 Å²	150.1	67%	0.665	78%	0.784	S	S	*	*	S	Bend	trans	-109	88.3	159.6	-87.2	113.4	0	0	0	108.8
13	L	39.9	Very low	41.4	Very low	118 Å²	118	148 Å²	148	62%	0.618	78%	0.778	S	S	*	*			trans	56.2	92.9	130.7	-54	154.1	0	0	0	113.7	V15	L13-V15 VanDerWaalsContact CA-N 3.31Å; L13-V15 HydrophobicContact CB-CB 3.96Å; L13-V15 HydrophobicContact CB-CG2 4.15Å; L13-V15 HydrophobicContact CD2-CB 3.69Å; L13-V15 HydrophobicContact CD2-CG2 3.26Å; L13-V15 HydrophobicContact CG-CB 4.4Å; L13-V15 HydrophobicContact CG-CG2 4.28Å; L13-V15 PolarHBondContact O-N 3.26Å
14	Q	38.8	Very low	44.1	Very low	204 Å²	204	141.9 Å²	141.9	95%	0.953	77%	0.765	S	S	*	*			cis	31.3	13.9	45.6	-106.2	-176.2	-5.2	0	0	117.4
15	V	41.4	Very low	46.7	Very low	93 Å²	93	131.9 Å²	131.9	56%	0.564	73%	0.727	S	S	*	*			trans	-131.8	70.9	167.7	-177.5	0	0	0	0	107.2	L13	L13-V15 VanDerWaalsContact CA-N 3.31Å; L13-V15 HydrophobicContact CB-CB 3.96Å; L13-V15 HydrophobicContact CB-CG2 4.15Å; L13-V15 HydrophobicContact CD2-CB 3.69Å; L13-V15 HydrophobicContact CD2-CG2 3.26Å; L13-V15 HydrophobicContact CG-CB 4.4Å; L13-V15 HydrophobicContact CG-CG2 4.28Å; L13-V15 PolarHBondContact O-N 3.26Å
16	C	39.9	Very low	49.4	Very low	133 Å²	133	127.5 Å²	127.5	90%	0.899	71%	0.707	S	S	*	*	S	Bend	trans	-154.3	24.2	161.7	-115.6	0	0	0	0	112.1
17	G	35.4	Very low	52.2	Low	75 Å²	75	127.6 Å²	127.6	77%	0.773	71%	0.705	S	S	*	*	S	Bend	trans	-119.7	5.8	176.2	0	0	0	0	0	114.5
18	L	39.5	Very low	55	Low	157 Å²	157	115 Å²	115	82%	0.822	66%	0.657	S	S	*	*	S	Bend	trans	-118.9	8.8	-174.1	-87	157.6	0	0	0	114.4
19	C	38.8	Very low	57.7	Low	129 Å²	129	116.5 Å²	116.5	87%	0.872	65%	0.652	S	S	*	*	S	Bend	trans	-115.7	28.9	-177.7	-67.1	0	0	0	0	114.5
20	S	41.9	Very low	60.5	Low	106 Å²	106	113.2 Å²	113.2	74%	0.741	64%	0.639	S	S	*	*	S	Bend	trans	-125.1	5.9	171.9	86.8	0	0	0	0	115.1
21	A	46.8	Very low	63.2	Low	78 Å²	78	109 Å²	109	65%	0.645	61%	0.613	S	S	*	*	S	Bend	trans	-91.8	-20.7	-178.5	0	0	0	0	0	114	N23	A21-N23 PolarHBondContact O-N 3.25Å
22	D	55.3	Low	66	Low	156 Å²	156	101.4 Å²	101.4	83%	0.834	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-5.4	-168.4	-113.3	-4.3	0	0	0	115.3
23	N	68.6	Low	69	Low	119 Å²	119	99.1 Å²	99.1	64%	0.636	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-10.6	-175.3	-89.6	-19.1	0	0	0	114.9	A21 W25 K26	A21-N23 PolarHBondContact O-N 3.25Å; N23-W25 VanDerWaalsContact C-N 3.27Å; N23-W25 PolarHBondContact O-N 3.49Å; N23-K26 PolarHBondContact O-N 3.36Å
24	T	89.7	Confident	71.8	Confident	88 Å²	88	100.4 Å²	100.4	54%	0.54	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.2	-35.5	-171.7	-48.9	0	0	0	0	112.8
25	W	96.6	Very high	74.6	Confident	32 Å²	32	92 Å²	92	12%	0.121	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	7	-174.9	-56.8	121.2	0	0	0	114.6	N23 E27 I28 Q29 E316 Q319 F320 E323 N324	N23-W25 VanDerWaalsContact C-N 3.27Å; N23-W25 PolarHBondContact O-N 3.49Å; W25-E27 VanDerWaalsContact C-N 3.29Å; W25-E27 PolarHBondContact O-N 3.03Å; W25-I28 HydrophobicContact CE3-CD1 4.07Å; W25-I28 HydrophobicContact CZ3-CD1 4.36Å; W25-I28 PolarHBondContact O-N 3.23Å; W25-I28 VanDerWaalsContact O-N 3.11Å; W25-Q29 HydrophobicContact CB-CG 4.34Å; W25-Q29 WeakPolarHBondContact O-CG 3.31Å; W25-Q29 PolarHBondContact O-N 3.11Å; W25-E316 HydrophobicContact CH2-CG 4.42Å; W25-E316 HydrophobicContact CZ3-CG 3.86Å; W25-Q319 HydrophobicContact CH2-CB 4.01Å; W25-Q319 HydrophobicContact CH2-CG 4.03Å; W25-Q319 HydrophobicContact CZ2-CB 4.2Å; W25-Q319 HydrophobicContact CZ2-CG 3.78Å; W25-F320 HydrophobicContact CB-CD2 3.78Å; W25-F320 HydrophobicContact CB-CE2 3.99Å; W25-F320 HydrophobicContact CD2-CB 4.18Å; W25-F320 AromaticContact CD2-CD2 3.83Å; W25-F320 HydrophobicContact CD2-CD2 3.83Å; W25-F320 HydrophobicContact CE3-CB 3.84Å; W25-F320 AromaticContact CE3-CD2 3.93Å; W25-F320 HydrophobicContact CE3-CD2 3.93Å; W25-F320 HydrophobicContact CE3-CG 4.33Å; W25-F320 AromaticContact CG-CD2 3.78Å; W25-F320 HydrophobicContact CG-CD2 3.78Å; W25-F320 HydrophobicContact CG-CE2 4.41Å; W25-F320 HydrophobicContact CH2-CB 4.36Å; W25-F320 HydrophobicContact CZ3-CB 3.94Å; W25-E323 PolarHBondContact NE1-OE2 3.36Å; W25-N324 VanDerWaalsContact CD1-ND2 3.26Å
26	K	95.5	Very high	77.3	Confident	97 Å²	97	90.2 Å²	90.2	42%	0.422	53%	0.526	S	S	.	.	H	α-helix	trans	-55.3	-43.5	-171.7	-177.4	173.5	174.5	178.1	0	112.3	N23 I28 Q29 E30	N23-K26 PolarHBondContact O-N 3.36Å; K26-I28 PolarHBondContact O-N 2.87Å; K26-Q29 PolarHBondContact O-N 3.21Å; K26-E30 WeakPolarHBondContact CE-OE1 3.31Å; K26-E30 HydrophobicContact CG-CG 4.38Å; K26-E30 WeakPolarHBondContact O-CB 3.37Å; K26-E30 VanDerWaalsContact O-CG 3.29Å; K26-E30 WeakPolarHBondContact O-CG 3.45Å; K26-E30 PolarHBondContact O-N 3.33Å
27	E	96.1	Very high	80	Confident	124 Å²	124	92.8 Å²	92.8	58%	0.579	52%	0.522	S	S	*	.	H	α-helix	trans	-62	-43.9	179.6	-170.8	-171.1	148.4	0	0	112.5	W25 K31	W25-E27 VanDerWaalsContact C-N 3.29Å; W25-E27 PolarHBondContact O-N 3.03Å; E27-K31 WeakPolarHBondContact O-CG 3.44Å; E27-K31 PolarHBondContact O-N 2.81Å; E27-K31 WeakPolarHBondContact OE1-CE 3.48Å; E27-K31 IonicContact OE1-NZ 2.61Å; E27-K31 PolarHBondContact OE1-NZ 2.95Å
28	I	97.3	Very high	82.9	Confident	11 Å²	11	92.1 Å²	92.1	6%	0.056	52%	0.515	C	S	.	.	H	α-helix	trans	-71	-40.9	179.5	-57.1	178.8	0	0	0	110.2	W25 K26 E30 K31 V32 W301 L317 F320	W25-I28 HydrophobicContact CE3-CD1 4.07Å; W25-I28 HydrophobicContact CZ3-CD1 4.36Å; W25-I28 PolarHBondContact O-N 3.23Å; W25-I28 VanDerWaalsContact O-N 3.11Å; K26-I28 PolarHBondContact O-N 2.87Å; I28-E30 VanDerWaalsContact C-N 3.33Å; I28-E30 PolarHBondContact O-N 3.21Å; I28-K31 WeakPolarHBondContact O-CB 3.21Å; I28-K31 PolarHBondContact O-N 2.93Å; I28-V32 WeakPolarHBondContact O-CG2 3.48Å; I28-V32 PolarHBondContact O-N 2.95Å; I28-W301 HydrophobicContact CG2-CE3 4.49Å; I28-W301 HydrophobicContact CG2-CH2 3.68Å; I28-W301 HydrophobicContact CG2-CZ2 4.4Å; I28-W301 HydrophobicContact CG2-CZ3 3.75Å; I28-L317 HydrophobicContact CD1-CD2 4.33Å; I28-F320 HydrophobicContact CB-CD2 4.1Å; I28-F320 HydrophobicContact CB-CE1 4.48Å; I28-F320 HydrophobicContact CB-CE2 3.97Å; I28-F320 HydrophobicContact CB-CG 4.41Å; I28-F320 HydrophobicContact CB-CZ 4.17Å; I28-F320 HydrophobicContact CD1-CB 4.05Å; I28-F320 HydrophobicContact CD1-CD1 4.45Å; I28-F320 HydrophobicContact CD1-CD2 4.21Å; I28-F320 HydrophobicContact CD1-CG 3.96Å; I28-F320 HydrophobicContact CG2-CD1 3.69Å; I28-F320 HydrophobicContact CG2-CD2 4.02Å; I28-F320 HydrophobicContact CG2-CE1 3.43Å; I28-F320 VanDerWaalsContact CG2-CE1 3.43Å; I28-F320 HydrophobicContact CG2-CE2 3.78Å; I28-F320 HydrophobicContact CG2-CG 3.99Å; I28-F320 HydrophobicContact CG2-CZ 3.48Å; I28-F320 VanDerWaalsContact CG2-CZ 3.48Å
29	Q	97.2	Very high	85.6	Confident	80 Å²	80	86.8 Å²	86.8	37%	0.374	48%	0.484	S	S	.	.	H	α-helix	trans	-61.8	-41	175.8	-70.4	177.2	-19	0	0	111.9	W25 K26 V32 S33 F320 N324	W25-Q29 HydrophobicContact CB-CG 4.34Å; W25-Q29 WeakPolarHBondContact O-CG 3.31Å; W25-Q29 PolarHBondContact O-N 3.11Å; K26-Q29 PolarHBondContact O-N 3.21Å; Q29-V32 PolarHBondContact O-N 2.79Å; Q29-S33 WeakPolarHBondContact O-CB 3.47Å; Q29-S33 PolarHBondContact O-N 3.5Å; Q29-F320 HydrophobicContact CG-CE2 4.01Å; Q29-N324 PolarHBondContact NE2-OD1 2.67Å
30	E	97	Very high	88.1	Confident	107 Å²	107	89.5 Å²	89.5	50%	0.5	48%	0.481	S	S	.	.	H	α-helix	trans	-62.8	-45	174.1	-76.8	174.3	177.2	0	0	111.2	K26 I28 V32 S33 E34	K26-E30 WeakPolarHBondContact CE-OE1 3.31Å; K26-E30 HydrophobicContact CG-CG 4.38Å; K26-E30 WeakPolarHBondContact O-CB 3.37Å; K26-E30 VanDerWaalsContact O-CG 3.29Å; K26-E30 WeakPolarHBondContact O-CG 3.45Å; K26-E30 PolarHBondContact O-N 3.33Å; I28-E30 VanDerWaalsContact C-N 3.33Å; I28-E30 PolarHBondContact O-N 3.21Å; E30-V32 VanDerWaalsContact C-N 3.32Å; E30-V32 PolarHBondContact O-N 3.04Å; E30-S33 PolarHBondContact O-N 3.08Å; E30-E34 WeakPolarHBondContact O-CB 3.21Å; E30-E34 PolarHBondContact O-N 3.47Å
31	K	97.6	Very high	90.2	Very high	85 Å²	85	89.6 Å²	89.6	37%	0.37	48%	0.477	S	S	.	.	H	α-helix	trans	-57	-43.3	173.6	-76.1	168.1	175.7	164.8	0	112.4	E27 I28 A35	E27-K31 WeakPolarHBondContact O-CG 3.44Å; E27-K31 PolarHBondContact O-N 2.81Å; E27-K31 WeakPolarHBondContact OE1-CE 3.48Å; E27-K31 IonicContact OE1-NZ 2.61Å; E27-K31 PolarHBondContact OE1-NZ 2.95Å; I28-K31 WeakPolarHBondContact O-CB 3.21Å; I28-K31 PolarHBondContact O-N 2.93Å; K31-A35 WeakPolarHBondContact O-CB 3.41Å; K31-A35 PolarHBondContact O-N 2.74Å
32	V	98.3	Very high	92.1	Very high	10 Å²	10	86.8 Å²	86.8	6%	0.061	45%	0.453	C	S	.	.	H	α-helix	trans	-64.4	-48.1	176.5	174.5	0	0	0	0	110.8	I28 Q29 E30 E34 A35 V36 W301 V327 I331	I28-V32 WeakPolarHBondContact O-CG2 3.48Å; I28-V32 PolarHBondContact O-N 2.95Å; Q29-V32 PolarHBondContact O-N 2.79Å; E30-V32 VanDerWaalsContact C-N 3.32Å; E30-V32 PolarHBondContact O-N 3.04Å; V32-E34 PolarHBondContact O-N 2.72Å; V32-A35 PolarHBondContact O-N 3.07Å; V32-V36 HydrophobicContact CG1-CG2 4.39Å; V32-V36 WeakPolarHBondContact O-CB 3.27Å; V32-V36 VanDerWaalsContact O-CG2 3.31Å; V32-V36 WeakPolarHBondContact O-CG2 3.18Å; V32-V36 PolarHBondContact O-N 2.76Å; V32-W301 HydrophobicContact CG2-CB 4.11Å; V32-W301 HydrophobicContact CG2-CD2 4.15Å; V32-W301 HydrophobicContact CG2-CE3 3.66Å; V32-W301 HydrophobicContact CG2-CG 4.38Å; V32-W301 HydrophobicContact CG2-CZ3 4.36Å; V32-V327 HydrophobicContact CG1-CG1 4.03Å; V32-V327 HydrophobicContact CG2-CG1 4.41Å; V32-I331 HydrophobicContact CG1-CD1 4.38Å; V32-I331 HydrophobicContact CG2-CD1 4.15Å
33	S	98	Very high	93.4	Very high	79 Å²	79	84.7 Å²	84.7	55%	0.552	44%	0.442	S	S	*	.	H	α-helix	trans	-60.6	-46	-180	-175.4	0	0	0	0	111.9	Q29 E30 V36 K37	Q29-S33 WeakPolarHBondContact O-CB 3.47Å; Q29-S33 PolarHBondContact O-N 3.5Å; E30-S33 PolarHBondContact O-N 3.08Å; S33-V36 PolarHBondContact O-N 3.27Å; S33-K37 VanDerWaalsContact O-CB 3.24Å; S33-K37 WeakPolarHBondContact O-CB 3.42Å; S33-K37 PolarHBondContact O-N 3.4Å
34	E	98	Very high	93.7	Very high	145 Å²	145	81.8 Å²	81.8	68%	0.678	43%	0.429	S	S	*	.	H	α-helix	trans	-63.9	-45.2	177.5	-173.9	176.8	-171.7	0	0	111.6	E30 V32 V36 K37 G38	E30-E34 WeakPolarHBondContact O-CB 3.21Å; E30-E34 PolarHBondContact O-N 3.47Å; V32-E34 PolarHBondContact O-N 2.72Å; E34-V36 PolarHBondContact O-N 2.91Å; E34-K37 PolarHBondContact O-N 3.21Å; E34-G38 PolarHBondContact O-N 3.29Å
35	A	98.2	Very high	93.1	Very high	28 Å²	28	81.4 Å²	81.4	23%	0.231	43%	0.427	C	S	.	.	H	α-helix	trans	-61.2	-44	178	0	0	0	0	0	111.9	K31 V32 Y39 W301 V302	K31-A35 WeakPolarHBondContact O-CB 3.41Å; K31-A35 PolarHBondContact O-N 2.74Å; V32-A35 PolarHBondContact O-N 3.07Å; A35-Y39 WeakPolarHBondContact O-CB 3.29Å; A35-Y39 PolarHBondContact O-N 2.88Å; A35-W301 HydrophobicContact CB-CB 3.76Å; A35-V302 HydrophobicContact CB-CG2 4.05Å; A35-V302 WeakPolarHBondContact O-CG2 3.43Å
36	V	97.7	Very high	91.9	Very high	56 Å²	56	85.6 Å²	85.6	34%	0.339	45%	0.452	S	S	.	.	H	α-helix	trans	-67.9	-42.9	177.7	172.9	0	0	0	0	111.2	V32 S33 E34 G38 Y39	V32-V36 HydrophobicContact CG1-CG2 4.39Å; V32-V36 WeakPolarHBondContact O-CB 3.27Å; V32-V36 VanDerWaalsContact O-CG2 3.31Å; V32-V36 WeakPolarHBondContact O-CG2 3.18Å; V32-V36 PolarHBondContact O-N 2.76Å; S33-V36 PolarHBondContact O-N 3.27Å; E34-V36 PolarHBondContact O-N 2.91Å; V36-G38 VanDerWaalsContact C-N 3.32Å; V36-G38 PolarHBondContact O-N 3.36Å; V36-Y39 WeakPolarHBondContact O-CB 3.41Å; V36-Y39 PolarHBondContact O-N 3.12Å
37	K	97.1	Very high	91.1	Very high	186 Å²	186	81.1 Å²	81.1	81%	0.809	43%	0.432	S	S	*	.	H	α-helix	trans	-64.3	-36.6	177.8	-175.9	-179.6	178	-176.8	0	112.5	S33 E34	S33-K37 VanDerWaalsContact O-CB 3.24Å; S33-K37 WeakPolarHBondContact O-CB 3.42Å; S33-K37 PolarHBondContact O-N 3.4Å; E34-K37 PolarHBondContact O-N 3.21Å
38	G	95.6	Very high	90.7	Very high	61 Å²	61	77.8 Å²	77.8	63%	0.629	42%	0.422	S	S	*	.	H	α-helix	trans	-80.2	-14.7	177.1	0	0	0	0	0	114.1	E34 V36	E34-G38 PolarHBondContact O-N 3.29Å; V36-G38 VanDerWaalsContact C-N 3.32Å; V36-G38 PolarHBondContact O-N 3.36Å
39	Y	96.1	Very high	90.4	Very high	46 Å²	46	77.6 Å²	77.6	18%	0.18	42%	0.422	C	S	.	.			trans	-73.3	130.3	-177.2	-177.6	-113.8	0	0	0	111.7	A35 V36 K299 V302 H303	A35-Y39 WeakPolarHBondContact O-CB 3.29Å; A35-Y39 PolarHBondContact O-N 2.88Å; V36-Y39 WeakPolarHBondContact O-CB 3.41Å; V36-Y39 PolarHBondContact O-N 3.12Å; Y39-K299 HydrophobicContact CD2-CB 4.34Å; Y39-K299 HydrophobicContact CD2-CG 3.72Å; Y39-K299 HydrophobicContact CE2-CG 3.75Å; Y39-V302 HydrophobicContact CD1-CG1 3.74Å; Y39-V302 HydrophobicContact CD2-CG1 4.11Å; Y39-V302 HydrophobicContact CD2-CG2 4.23Å; Y39-V302 HydrophobicContact CE1-CG1 4.09Å; Y39-V302 HydrophobicContact CE2-CG1 4.45Å; Y39-V302 HydrophobicContact CG-CB 4.5Å; Y39-V302 HydrophobicContact CG-CG1 3.74Å; Y39-V302 HydrophobicContact CG-CG2 4.07Å; Y39-H303 AromaticContact CE2-CE1 3.54Å; Y39-H303 AromaticContact CZ-CE1 3.47Å; Y39-H303 VanDerWaalsContact CZ-CE1 3.47Å; Y39-H303 AromaticContact CZ-NE2 3.65Å; Y39-H303 PolarHBondContact OH-CE1 3.45Å; Y39-H303 PolarHBondContact OH-NE2 3.23Å
40	K	91.9	Very high	90.3	Very high	186 Å²	186	73.8 Å²	73.8	81%	0.809	40%	0.404	S	S	*	.			trans	-108.9	116.6	170.4	-64.3	-176.5	-178.3	179.5	0	108.1	C42	K40-C42 PolarHBondContact O-N 3.28Å
41	T	86.4	Confident	90.1	Very high	107 Å²	107	70 Å²	70	66%	0.656	39%	0.387	S	S	*	.			trans	-58.7	137.4	175.1	-49.8	0	0	0	0	109.9
42	C	86.8	Confident	89.9	Confident	20 Å²	20	68.2 Å²	68.2	14%	0.135	39%	0.393	C	S	.	.			trans	-70	137.1	171.7	177.8	0	0	0	0	111	K40 C49 H342	K40-C42 PolarHBondContact O-N 3.28Å; C42-C49 HydrophobicContact CB-CB 3.78Å; C42-C49 WeakPolarHBondContact CB-SG 3.4Å; C42-C49 WeakPolarHBondContact SG-CA 3.46Å; C42-C49 WeakPolarHBondContact SG-CB 3.1Å; C42-C49 CovalentContact SG-SG 2.01Å; C42-C49 PolarHBondContact SG-SG 2.95Å; C42-H342 PolarHBondContact O-CE1 2.88Å
43	N	81.1	Confident	89.8	Confident	112 Å²	112	68.2 Å²	68.2	60%	0.599	39%	0.393	S	S	*	.			trans	-90.1	114.4	164.3	-171.1	-3.4	0	0	0	109.6	V45 S48	N43-V45 PolarHBondContact O-N 3.14Å; N43-V45 WeakPolarHBondContact OD1-CG2 3.33Å; N43-S48 PolarHBondContact O-OG 3.21Å
44	P	75.3	Confident	89.7	Confident	57 Å²	57	64.5 Å²	64.5	37%	0.37	37%	0.367	S	S	.	.			trans	-74.3	11.7	-168.1	30.9	-36.2	0	0	0	115.1	N46 C47	P44-N46 PolarHBondContact O-N 3.25Å; P44-N46 VanDerWaalsContact O-N 3.1Å; P44-C47 PolarHBondContact O-N 3.27Å
45	V	77.9	Confident	89.6	Confident	81 Å²	81	61.8 Å²	61.8	49%	0.491	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-56	122.9	179.3	178.2	0	0	0	0	109.4	N43 C47 S48	N43-V45 PolarHBondContact O-N 3.14Å; N43-V45 WeakPolarHBondContact OD1-CG2 3.33Å; V45-C47 PolarHBondContact O-N 3.48Å; V45-S48 VanDerWaalsContact O-CB 3.24Å; V45-S48 WeakPolarHBondContact O-CB 3.49Å; V45-S48 PolarHBondContact O-N 3.33Å; V45-S48 PolarHBondContact O-OG 2.91Å
46	N	70.9	Confident	89.6	Confident	120 Å²	120	66.6 Å²	66.6	64%	0.642	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	53.2	42.9	178.3	-58.8	-25.8	0	0	0	114.5	P44 S48	P44-N46 PolarHBondContact O-N 3.25Å; P44-N46 VanDerWaalsContact O-N 3.1Å; N46-S48 PolarHBondContact O-N 3.35Å
47	C	77.9	Confident	89.7	Confident	3 Å²	3	64 Å²	64	2%	0.02	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	51.3	28.8	-178.1	68.8	0	0	0	0	115.4	P44 V45 C49 E347 C350	P44-C47 PolarHBondContact O-N 3.27Å; V45-C47 PolarHBondContact O-N 3.48Å; C47-C49 PolarHBondContact O-N 3.36Å; C47-C49 VanDerWaalsContact O-N 3.13Å; C47-E347 WeakPolarHBondContact CA-OE2 3.45Å; C47-E347 VanDerWaalsContact CB-OE2 3.23Å; C47-E347 WeakPolarHBondContact CB-OE2 3.25Å; C47-C350 HydrophobicContact CB-CB 3.53Å; C47-C350 WeakPolarHBondContact CB-SG 3.5Å; C47-C350 WeakPolarHBondContact SG-CB 3.34Å; C47-C350 CovalentContact SG-SG 2.03Å; C47-C350 PolarHBondContact SG-SG 2.86Å
48	S	88.3	Confident	89.7	Confident	53 Å²	53	55.7 Å²	55.7	37%	0.371	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-66.6	-17.1	-172.2	57.1	0	0	0	0	114.7	N43 V45 N46 H50 L51	N43-S48 PolarHBondContact O-OG 3.21Å; V45-S48 VanDerWaalsContact O-CB 3.24Å; V45-S48 WeakPolarHBondContact O-CB 3.49Å; V45-S48 PolarHBondContact O-N 3.33Å; V45-S48 PolarHBondContact O-OG 2.91Å; N46-S48 PolarHBondContact O-N 3.35Å; S48-H50 PolarHBondContact O-N 3.29Å; S48-H50 VanDerWaalsContact O-N 3.13Å; S48-L51 PolarHBondContact O-N 2.97Å
49	C	90.8	Very high	89.9	Confident	7 Å²	7	58.9 Å²	58.9	5%	0.047	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-53.6	-38.1	-177.2	-59.4	0	0	0	0	113.7	C42 C47 Q297	C42-C49 HydrophobicContact CB-CB 3.78Å; C42-C49 WeakPolarHBondContact CB-SG 3.4Å; C42-C49 WeakPolarHBondContact SG-CA 3.46Å; C42-C49 WeakPolarHBondContact SG-CB 3.1Å; C42-C49 CovalentContact SG-SG 2.01Å; C42-C49 PolarHBondContact SG-SG 2.95Å; C47-C49 PolarHBondContact O-N 3.36Å; C47-C49 VanDerWaalsContact O-N 3.13Å; C49-Q297 WeakPolarHBondContact O-CG 3.33Å; C49-Q297 PolarHBondContact O-NE2 3.41Å
50	H	94.6	Very high	89.9	Confident	1 Å²	1	59 Å²	59	1%	0.005	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-104.9	-2.5	-172.1	-51.2	-63.5	0	0	0	112.5	S48 G52 V53 L54 F293 Q297 H342 Y351	S48-H50 PolarHBondContact O-N 3.29Å; S48-H50 VanDerWaalsContact O-N 3.13Å; H50-G52 VanDerWaalsContact C-N 3.26Å; H50-G52 PolarHBondContact O-N 3.3Å; H50-V53 VanDerWaalsContact O-CB 3.3Å; H50-V53 WeakPolarHBondContact O-CB 3.27Å; H50-V53 PolarHBondContact O-N 3.5Å; H50-L54 PolarHBondContact O-N 3.34Å; H50-F293 HydrophobicContact CB-CD2 4.07Å; H50-F293 HydrophobicContact CB-CE2 4.17Å; H50-F293 AromaticContact CD2-CE2 3.95Å; H50-F293 AromaticContact CG-CE2 3.98Å; H50-Q297 WeakPolarHBondContact ND1-CG 3.21Å; H50-H342 PolarHBondContact NE2-O 3.33Å; H50-Y351 HydrophobicContact CB-CD2 3.79Å; H50-Y351 HydrophobicContact CB-CE2 3.78Å
51	L	92.5	Very high	90.2	Very high	26 Å²	26	50.5 Å²	50.5	14%	0.136	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-28	-175.5	-65.9	-178.3	0	0	0	113.4	S48 V53 L54 H55 K354	S48-L51 PolarHBondContact O-N 2.97Å; L51-V53 PolarHBondContact O-N 2.02Å; L51-L54 HydrophobicContact CD2-CD1 3.94Å; L51-L54 WeakPolarHBondContact O-CB 3.37Å; L51-L54 PolarHBondContact O-N 3.38Å; L51-L54 VanDerWaalsContact O-N 3.14Å; L51-H55 VanDerWaalsContact O-CG 3.25Å; L51-H55 PolarHBondContact O-N 3.08Å; L51-H55 PolarHBondContact O-ND1 2.85Å; L51-K354 HydrophobicContact CD2-CB 3.92Å; L51-K354 HydrophobicContact CD2-CG 4.09Å
52	G	94.8	Very high	90.7	Very high	48 Å²	48	51.9 Å²	51.9	50%	0.495	29%	0.285	S	S	.	.	H	α-helix	trans	-59.4	-29.9	173	0	0	0	0	0	113.2	H50 H56	H50-G52 VanDerWaalsContact C-N 3.26Å; H50-G52 PolarHBondContact O-N 3.3Å; G52-H56 VanDerWaalsContact O-CB 3.28Å; G52-H56 WeakPolarHBondContact O-CB 3.3Å; G52-H56 PolarHBondContact O-N 3.31Å; G52-H56 VanDerWaalsContact O-N 3.12Å
53	V	95.4	Very high	91.2	Very high	11 Å²	11	62.9 Å²	62.9	7%	0.067	32%	0.324	C	S	.	.	H	α-helix	trans	-72.6	-46.8	175.1	-176.8	0	0	0	0	110.3	H50 L51 H55 H56 D57 M153 F293 P296	H50-V53 VanDerWaalsContact O-CB 3.3Å; H50-V53 WeakPolarHBondContact O-CB 3.27Å; H50-V53 PolarHBondContact O-N 3.5Å; L51-V53 PolarHBondContact O-N 2.02Å; V53-H55 PolarHBondContact O-N 2.76Å; V53-H56 PolarHBondContact O-N 2.82Å; V53-D57 WeakPolarHBondContact O-CB 3.48Å; V53-D57 PolarHBondContact O-N 3.1Å; V53-M153 HydrophobicContact CG1-CE 3.41Å; V53-M153 VanDerWaalsContact CG1-CE 3.41Å; V53-F293 WeakPolarHBondContact CG2-O 3.41Å; V53-P296 HydrophobicContact CG1-CG 4.48Å; V53-P296 HydrophobicContact CG2-CB 3.78Å; V53-P296 HydrophobicContact CG2-CG 3.65Å
54	L	95.7	Very high	92	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-56.6	-51.1	175.4	-178.1	163.1	0	0	0	111	H50 L51 H56 D57 L58 Y351 K354 L355 E358	H50-L54 PolarHBondContact O-N 3.34Å; L51-L54 HydrophobicContact CD2-CD1 3.94Å; L51-L54 WeakPolarHBondContact O-CB 3.37Å; L51-L54 PolarHBondContact O-N 3.38Å; L51-L54 VanDerWaalsContact O-N 3.14Å; L54-H56 VanDerWaalsContact C-N 3.33Å; L54-H56 PolarHBondContact O-N 2.9Å; L54-D57 PolarHBondContact O-N 3.32Å; L54-D57 VanDerWaalsContact O-N 3.14Å; L54-L58 HydrophobicContact CD2-CD1 3.55Å; L54-L58 HydrophobicContact CD2-CG 4.15Å; L54-L58 HydrophobicContact CG-CD1 4.34Å; L54-L58 WeakPolarHBondContact O-CG 3.42Å; L54-L58 PolarHBondContact O-N 2.96Å; L54-Y351 HydrophobicContact CB-CE2 4.03Å; L54-Y351 HydrophobicContact CD1-CE2 4.42Å; L54-K354 HydrophobicContact CD1-CB 4.01Å; L54-L355 VanDerWaalsContact CD1-CA 3.48Å; L54-L355 HydrophobicContact CD1-CB 3.87Å; L54-L355 HydrophobicContact CD1-CD1 4.38Å; L54-L355 HydrophobicContact CG-CD1 4.16Å; L54-E358 HydrophobicContact CD2-CB 4.28Å; L54-E358 WeakPolarHBondContact CD2-OE2 3.06Å
55	H	97.3	Very high	93.1	Very high	89 Å²	89	56.3 Å²	56.3	41%	0.412	29%	0.292	S	S	.	.	H	α-helix	trans	-62.4	-41	-179.5	-63.4	155.4	0	0	0	112	L51 V53 D57 L58 K59 E358	L51-H55 VanDerWaalsContact O-CG 3.25Å; L51-H55 PolarHBondContact O-N 3.08Å; L51-H55 PolarHBondContact O-ND1 2.85Å; V53-H55 PolarHBondContact O-N 2.76Å; H55-D57 VanDerWaalsContact C-N 3.34Å; H55-D57 PolarHBondContact O-N 3.14Å; H55-L58 PolarHBondContact O-N 3.31Å; H55-K59 WeakPolarHBondContact O-CB 3.02Å; H55-K59 PolarHBondContact O-N 3.17Å; H55-E358 IonicContact CD2-OE2 3.03Å; H55-E358 PolarHBondContact CD2-OE2 3.33Å; H55-E358 IonicContact NE2-OE1 2.66Å; H55-E358 PolarHBondContact NE2-OE1 3.38Å; H55-E358 IonicContact NE2-OE2 3.28Å; H55-E358 PolarHBondContact NE2-OE2 2.94Å
56	H	98.1	Very high	94.1	Very high	128 Å²	128	54.4 Å²	54.4	59%	0.593	28%	0.283	S	S	*	.	H	α-helix	trans	-61	-43.4	174	176.2	-84	0	0	0	111.9	G52 V53 L54 K59	G52-H56 VanDerWaalsContact O-CB 3.28Å; G52-H56 WeakPolarHBondContact O-CB 3.3Å; G52-H56 PolarHBondContact O-N 3.31Å; G52-H56 VanDerWaalsContact O-N 3.12Å; V53-H56 PolarHBondContact O-N 2.82Å; L54-H56 VanDerWaalsContact C-N 3.33Å; L54-H56 PolarHBondContact O-N 2.9Å; H56-K59 WeakPolarHBondContact O-CB 3.36Å; H56-K59 PolarHBondContact O-N 3.09Å
57	D	98.4	Very high	95.4	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-72.4	-28.5	-177.9	-78	4.7	0	0	0	113.4	V53 L54 H55 P60 K145 I152 M153	V53-D57 WeakPolarHBondContact O-CB 3.48Å; V53-D57 PolarHBondContact O-N 3.1Å; L54-D57 PolarHBondContact O-N 3.32Å; L54-D57 VanDerWaalsContact O-N 3.14Å; H55-D57 VanDerWaalsContact C-N 3.34Å; H55-D57 PolarHBondContact O-N 3.14Å; D57-P60 WeakPolarHBondContact O-CD 3.31Å; D57-K145 VanDerWaalsContact OD1-CE 3.29Å; D57-K145 WeakPolarHBondContact OD1-CE 3.46Å; D57-K145 IonicContact OD1-NZ 2.97Å; D57-K145 PolarHBondContact OD1-NZ 2.75Å; D57-K145 WeakPolarHBondContact OD2-CE 3.32Å; D57-K145 IonicContact OD2-NZ 3.98Å; D57-K145 PolarHBondContact OD2-NZ 3.26Å; D57-I152 HydrophobicContact CB-CG2 4.18Å; D57-M153 WeakPolarHBondContact OD2-CB 3.13Å; D57-M153 PolarHBondContact OD2-N 3.48Å
58	L	98.6	Very high	96.4	Very high	11 Å²	11	60.3 Å²	60.3	6%	0.058	31%	0.31	C	S	.	.	H	α-helix	trans	-84	-21.7	176.3	-66.8	-170.2	0	0	0	113.4	L54 H55 P60 F61 I152 L355 E358 F359 L362	L54-L58 HydrophobicContact CD2-CD1 3.55Å; L54-L58 HydrophobicContact CD2-CG 4.15Å; L54-L58 HydrophobicContact CG-CD1 4.34Å; L54-L58 WeakPolarHBondContact O-CG 3.42Å; L54-L58 PolarHBondContact O-N 2.96Å; H55-L58 PolarHBondContact O-N 3.31Å; L58-P60 VanDerWaalsContact C-N 3.35Å; L58-F61 WeakPolarHBondContact O-CB 3.35Å; L58-F61 PolarHBondContact O-N 3.08Å; L58-I152 HydrophobicContact CD2-CD1 3.84Å; L58-I152 HydrophobicContact CD2-CG1 4.21Å; L58-I152 HydrophobicContact CD2-CG2 4Å; L58-L355 HydrophobicContact CD2-CD1 4.39Å; L58-E358 HydrophobicContact CD1-CB 3.78Å; L58-F359 HydrophobicContact CD2-CB 4.37Å; L58-F359 HydrophobicContact CD2-CD2 3.9Å; L58-L362 HydrophobicContact CB-CD1 4.04Å; L58-L362 HydrophobicContact CD1-CD1 4.23Å; L58-L362 HydrophobicContact CD2-CD1 4.04Å; L58-L362 HydrophobicContact CG-CD1 4.32Å
59	K	98.1	Very high	96.8	Very high	127 Å²	127	59.1 Å²	59.1	55%	0.552	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-48.4	-42.4	-179	-177.8	169.8	-171.8	178.4	0	115.1	H55 H56 F61 E62	H55-K59 WeakPolarHBondContact O-CB 3.02Å; H55-K59 PolarHBondContact O-N 3.17Å; H56-K59 WeakPolarHBondContact O-CB 3.36Å; H56-K59 PolarHBondContact O-N 3.09Å; K59-F61 PolarHBondContact O-N 3.3Å; K59-E62 WeakPolarHBondContact CG-OE1 3.36Å; K59-E62 VanDerWaalsContact O-CG 3.29Å; K59-E62 WeakPolarHBondContact O-CG 3.31Å; K59-E62 PolarHBondContact O-N 3.32Å
60	P	97.8	Very high	97.2	Very high	48 Å²	48	58.8 Å²	58.8	31%	0.312	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-60.4	-18.8	178.7	-23	34.7	0	0	0	114.3	D57 L58 I137	D57-P60 WeakPolarHBondContact O-CD 3.31Å; L58-P60 VanDerWaalsContact C-N 3.35Å; P60-I137 HydrophobicContact CB-CD1 3.73Å
61	F	98.1	Very high	97.4	Very high	9 Å²	9	60.7 Å²	60.7	4%	0.039	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-105.2	7.8	-175.2	-53.1	-79.5	0	0	0	113.3	L58 K59 R63 G64 I65 I137 P139 I152 L362	L58-F61 WeakPolarHBondContact O-CB 3.35Å; L58-F61 PolarHBondContact O-N 3.08Å; K59-F61 PolarHBondContact O-N 3.3Å; F61-R63 PolarHBondContact O-N 2.91Å; F61-R63 VanDerWaalsContact O-N 3.09Å; F61-G64 WeakPolarHBondContact O-CA 3.45Å; F61-G64 PolarHBondContact O-N 2.7Å; F61-I65 HydrophobicContact CB-CD1 4.02Å; F61-I65 HydrophobicContact CB-CG1 4.01Å; F61-I65 HydrophobicContact CD1-CD1 4.05Å; F61-I65 HydrophobicContact CD1-CG1 3.96Å; F61-I65 HydrophobicContact CG-CD1 4.15Å; F61-I65 HydrophobicContact CG-CG1 4.31Å; F61-I137 HydrophobicContact CE1-CB 4.09Å; F61-I137 HydrophobicContact CE1-CG2 3.58Å; F61-I137 HydrophobicContact CZ-CG2 3.56Å; F61-P139 HydrophobicContact CD1-CB 4.26Å; F61-P139 HydrophobicContact CE1-CB 3.84Å; F61-P139 HydrophobicContact CZ-CB 4.21Å; F61-I152 HydrophobicContact CD2-CD1 4.1Å; F61-I152 HydrophobicContact CD2-CG1 4.44Å; F61-I152 HydrophobicContact CE2-CD1 3.68Å; F61-I152 HydrophobicContact CE2-CG1 3.77Å; F61-I152 HydrophobicContact CZ-CD1 4.28Å; F61-L362 HydrophobicContact CB-CD1 4Å
62	E	96.7	Very high	97.6	Very high	135 Å²	135	62 Å²	62	63%	0.631	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-25	-178.4	-78.7	172.3	179.9	0	0	114.3	K59 G64	K59-E62 WeakPolarHBondContact CG-OE1 3.36Å; K59-E62 VanDerWaalsContact O-CG 3.29Å; K59-E62 WeakPolarHBondContact O-CG 3.31Å; K59-E62 PolarHBondContact O-N 3.32Å; E62-G64 PolarHBondContact O-N 3.3Å
63	R	96.4	Very high	97.8	Very high	252 Å²	252	59.7 Å²	59.7	95%	0.951	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-2.2	174.8	-64.9	-174.6	-176.9	170.7	1.7	113.5	F61	F61-R63 PolarHBondContact O-N 2.91Å; F61-R63 VanDerWaalsContact O-N 3.09Å
64	G	98	Very high	97.9	Very high	28 Å²	28	60.2 Å²	60.2	29%	0.289	30%	0.303	S	S	.	.			trans	93.1	154.1	-179.7	0	0	0	0	0	113.8	F61 E62 L362	F61-G64 WeakPolarHBondContact O-CA 3.45Å; F61-G64 PolarHBondContact O-N 2.7Å; E62-G64 PolarHBondContact O-N 3.3Å; G64-L362 CarbonylContact C-O 3.52Å; G64-L362 VanDerWaalsContact CA-O 3.22Å; G64-L362 WeakPolarHBondContact CA-O 3.38Å
65	I	98.8	Very high	98	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.015	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-109.7	111.7	179.1	-60.6	165.9	0	0	0	107.4	F61 V69 M70 P139 F359 L362 L363 T364	F61-I65 HydrophobicContact CB-CD1 4.02Å; F61-I65 HydrophobicContact CB-CG1 4.01Å; F61-I65 HydrophobicContact CD1-CD1 4.05Å; F61-I65 HydrophobicContact CD1-CG1 3.96Å; F61-I65 HydrophobicContact CG-CD1 4.15Å; F61-I65 HydrophobicContact CG-CG1 4.31Å; I65-V69 HydrophobicContact CG2-CG1 4.34Å; I65-M70 HydrophobicContact CG2-CE 4.38Å; I65-P139 HydrophobicContact CD1-CB 3.79Å; I65-P139 HydrophobicContact CD1-CG 4.18Å; I65-P139 HydrophobicContact CG2-CG 3.87Å; I65-F359 HydrophobicContact CD1-CD2 4.27Å; I65-F359 HydrophobicContact CD1-CE2 3.4Å; I65-F359 VanDerWaalsContact CD1-CE2 3.4Å; I65-F359 HydrophobicContact CD1-CZ 3.65Å; I65-L362 HydrophobicContact CD1-CB 4.06Å; I65-L362 HydrophobicContact CG1-CB 4.43Å; I65-L362 PolarHBondContact N-O 2.95Å; I65-L363 HydrophobicContact CB-CD2 3.97Å; I65-L363 HydrophobicContact CD1-CD2 4.3Å; I65-L363 HydrophobicContact CG2-CD2 3.97Å; I65-T364 PolarHBondContact O-N 2.68Å; I65-T364 PolarHBondContact O-OG1 2.94Å
66	S	98.6	Very high	97.9	Very high	41 Å²	41	70.1 Å²	70.1	29%	0.287	35%	0.347	S	S	.	.			trans	-76.4	161	177.3	73.9	0	0	0	0	112.3	D68 V69 M70 T364	S66-D68 PolarHBondContact O-N 3.25Å; S66-V69 PolarHBondContact O-N 3.38Å; S66-V69 WeakPolarHBondContact OG-CG2 3.24Å; S66-V69 PolarHBondContact OG-N 2.73Å; S66-M70 PolarHBondContact O-N 2.79Å; S66-M70 VanDerWaalsContact O-N 3.09Å; S66-T364 WeakPolarHBondContact CA-OG1 3.24Å
67	Q	98.4	Very high	97.8	Very high	124 Å²	124	66.2 Å²	66.2	58%	0.579	34%	0.341	S	S	*	.	H	α-helix	trans	-57.8	-36.7	174.7	-171.2	176.6	-11.8	0	0	111.9	M70 A71 Y365	Q67-M70 PolarHBondContact O-N 3.06Å; Q67-A71 VanDerWaalsContact O-CB 3.31Å; Q67-A71 WeakPolarHBondContact O-CB 3.31Å; Q67-A71 PolarHBondContact O-N 2.89Å; Q67-Y365 HydrophobicContact CB-CD1 3.92Å; Q67-Y365 HydrophobicContact CB-CD2 3.87Å; Q67-Y365 HydrophobicContact CB-CE1 4.13Å; Q67-Y365 HydrophobicContact CB-CE2 4.05Å; Q67-Y365 HydrophobicContact CB-CG 3.8Å; Q67-Y365 HydrophobicContact CG-CD2 3.97Å; Q67-Y365 HydrophobicContact CG-CE2 3.92Å; Q67-Y365 HydrophobicContact CG-CG 4.42Å; Q67-Y365 VanDerWaalsContact N-CD1 3.33Å
68	D	98.3	Very high	97.7	Very high	123 Å²	123	67 Å²	67	66%	0.658	35%	0.346	S	S	*	.	H	α-helix	trans	-69	-38.1	179.2	-64.3	-28.9	0	0	0	112.5	S66 A71 T72	S66-D68 PolarHBondContact O-N 3.25Å; D68-A71 PolarHBondContact O-N 2.79Å; D68-T72 WeakPolarHBondContact O-CB 3.38Å; D68-T72 PolarHBondContact O-N 3.25Å; D68-T72 PolarHBondContact O-OG1 3.46Å
69	V	98.3	Very high	97.7	Very high	27 Å²	27	67.2 Å²	67.2	16%	0.164	35%	0.351	C	S	.	.	H	α-helix	trans	-65.3	-44.2	174.9	171.3	0	0	0	0	110.2	I65 S66 T72 T73 P136	I65-V69 HydrophobicContact CG2-CG1 4.34Å; S66-V69 PolarHBondContact O-N 3.38Å; S66-V69 WeakPolarHBondContact OG-CG2 3.24Å; S66-V69 PolarHBondContact OG-N 2.73Å; V69-T72 PolarHBondContact O-N 3.49Å; V69-T73 WeakPolarHBondContact O-CB 3.31Å; V69-T73 PolarHBondContact O-N 3.47Å; V69-T73 PolarHBondContact O-OG1 3.17Å; V69-P136 HydrophobicContact CG2-CG 4.39Å
70	M	98.7	Very high	97.7	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-45.9	175	-175.1	59.8	69.7	0	0	111.5	I65 S66 Q67 T72 T73 V74 E119 V121 P139 F359 L363 Y365	I65-M70 HydrophobicContact CG2-CE 4.38Å; S66-M70 PolarHBondContact O-N 2.79Å; S66-M70 VanDerWaalsContact O-N 3.09Å; Q67-M70 PolarHBondContact O-N 3.06Å; M70-T72 VanDerWaalsContact C-N 3.32Å; M70-T72 PolarHBondContact O-N 3Å; M70-T73 WeakPolarHBondContact O-CB 3.39Å; M70-T73 PolarHBondContact O-N 3.26Å; M70-T73 VanDerWaalsContact O-N 3.12Å; M70-V74 WeakPolarHBondContact O-CG2 3.48Å; M70-V74 PolarHBondContact O-N 3.44Å; M70-V74 HydrophobicContact SD-CG2 4.46Å; M70-E119 HydrophobicContact CE-CG 4.41Å; M70-E119 VanDerWaalsContact CE-O 3.28Å; M70-E119 WeakPolarHBondContact CE-O 3.42Å; M70-E119 HydrophobicContact CG-CG 4.01Å; M70-V121 HydrophobicContact SD-CG2 4.02Å; M70-P139 HydrophobicContact CE-CG 3.94Å; M70-F359 HydrophobicContact CE-CE1 4.44Å; M70-F359 HydrophobicContact CE-CZ 4.18Å; M70-L363 HydrophobicContact CE-CD2 4.21Å; M70-Y365 VanDerWaalsContact CB-OH 3.25Å; M70-Y365 WeakPolarHBondContact CB-OH 3.45Å; M70-Y365 WeakPolarHBondContact CG-OH 3.26Å
71	A	98.1	Very high	97.7	Very high	40 Å²	40	59.3 Å²	59.3	33%	0.331	31%	0.312	S	S	.	.	H	α-helix	trans	-59	-42.7	177.7	0	0	0	0	0	112.1	Q67 D68 T73 V74 Q75	Q67-A71 VanDerWaalsContact O-CB 3.31Å; Q67-A71 WeakPolarHBondContact O-CB 3.31Å; Q67-A71 PolarHBondContact O-N 2.89Å; D68-A71 PolarHBondContact O-N 2.79Å; A71-T73 VanDerWaalsContact C-N 3.35Å; A71-V74 PolarHBondContact O-N 3.5Å; A71-Q75 WeakPolarHBondContact O-CB 3.43Å; A71-Q75 PolarHBondContact O-N 3.21Å
72	T	97.8	Very high	97.8	Very high	54 Å²	54	58.9 Å²	58.9	33%	0.331	31%	0.31	S	S	.	.	H	α-helix	trans	-62.2	-42.2	174.9	-59.7	0	0	0	0	111.5	D68 V69 M70 Q75 K76 L138	D68-T72 WeakPolarHBondContact O-CB 3.38Å; D68-T72 PolarHBondContact O-N 3.25Å; D68-T72 PolarHBondContact O-OG1 3.46Å; V69-T72 PolarHBondContact O-N 3.49Å; M70-T72 VanDerWaalsContact C-N 3.32Å; M70-T72 PolarHBondContact O-N 3Å; T72-Q75 PolarHBondContact O-N 3.41Å; T72-K76 WeakPolarHBondContact O-CG 3.49Å; T72-K76 PolarHBondContact O-N 3.24Å; T72-L138 HydrophobicContact CG2-CD2 4.36Å
73	T	98.2	Very high	97.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-46.1	178.2	-54.7	0	0	0	0	111	V69 M70 A71 K76 V78 V121 L138 P139 V140	V69-T73 WeakPolarHBondContact O-CB 3.31Å; V69-T73 PolarHBondContact O-N 3.47Å; V69-T73 PolarHBondContact O-OG1 3.17Å; M70-T73 WeakPolarHBondContact O-CB 3.39Å; M70-T73 PolarHBondContact O-N 3.26Å; M70-T73 VanDerWaalsContact O-N 3.12Å; A71-T73 VanDerWaalsContact C-N 3.35Å; T73-K76 PolarHBondContact O-N 3.38Å; T73-V78 HydrophobicContact CG2-CG2 4.07Å; T73-V121 HydrophobicContact CG2-CB 3.99Å; T73-V121 HydrophobicContact CG2-CG1 4.23Å; T73-V121 HydrophobicContact CG2-CG2 3.86Å; T73-L138 HydrophobicContact CG2-CB 4.11Å; T73-P139 WeakPolarHBondContact OG1-CD 3.22Å; T73-V140 HydrophobicContact CG2-CG2 3.63Å
74	V	98	Very high	98	Very high	22 Å²	22	40.5 Å²	40.5	13%	0.133	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-45	175.2	175.5	0	0	0	0	111	M70 A71 K76 G77 H81 V121	M70-V74 WeakPolarHBondContact O-CG2 3.48Å; M70-V74 PolarHBondContact O-N 3.44Å; M70-V74 HydrophobicContact SD-CG2 4.46Å; A71-V74 PolarHBondContact O-N 3.5Å; V74-K76 VanDerWaalsContact C-N 3.27Å; V74-K76 PolarHBondContact O-N 2.93Å; V74-G77 PolarHBondContact O-N 3.33Å; V74-G77 VanDerWaalsContact O-N 3.08Å; V74-H81 HydrophobicContact CG1-CB 4.29Å; V74-H81 HydrophobicContact CG2-CB 4.07Å; V74-V121 HydrophobicContact CG2-CG2 3.69Å
75	Q	97.1	Very high	98	Very high	168 Å²	168	40.6 Å²	40.6	79%	0.785	23%	0.229	S	C	*	.	H	α-helix	trans	-62.7	-32.7	-178.9	-172.8	-179.8	12.2	0	0	112.9	A71 T72 G77	A71-Q75 WeakPolarHBondContact O-CB 3.43Å; A71-Q75 PolarHBondContact O-N 3.21Å; T72-Q75 PolarHBondContact O-N 3.41Å; Q75-G77 PolarHBondContact O-N 3.08Å
76	K	96.3	Very high	98	Very high	129 Å²	129	42.6 Å²	42.6	56%	0.561	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.7	176.6	-78.7	178.6	174.4	-73.2	0	113.7	T72 T73 V74 V78 L138	T72-K76 WeakPolarHBondContact O-CG 3.49Å; T72-K76 PolarHBondContact O-N 3.24Å; T73-K76 PolarHBondContact O-N 3.38Å; V74-K76 VanDerWaalsContact C-N 3.27Å; V74-K76 PolarHBondContact O-N 2.93Å; K76-V78 HydrophobicContact CB-CG1 4.02Å; K76-V78 HydrophobicContact CB-CG2 4.46Å; K76-V78 PolarHBondContact O-N 3.36Å; K76-L138 HydrophobicContact CD-CD1 3.42Å; K76-L138 VanDerWaalsContact CD-CD1 3.42Å
77	G	95.6	Very high	98	Very high	46 Å²	46	45.1 Å²	45.1	47%	0.474	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	27.6	176.9	0	0	0	0	0	114.1	V74 Q75 G79	V74-G77 PolarHBondContact O-N 3.33Å; V74-G77 VanDerWaalsContact O-N 3.08Å; Q75-G77 PolarHBondContact O-N 3.08Å; G77-G79 VanDerWaalsContact C-N 3.27Å; G77-G79 PolarHBondContact O-N 3.38Å
78	V	95.9	Very high	98	Very high	19 Å²	19	44 Å²	44	12%	0.115	25%	0.251	C	S	.	.	S	Bend	trans	-77.9	-9	-178.2	-70.8	0	0	0	0	113.3	T73 K76 V121 Q129 V140	T73-V78 HydrophobicContact CG2-CG2 4.07Å; K76-V78 HydrophobicContact CB-CG1 4.02Å; K76-V78 HydrophobicContact CB-CG2 4.46Å; K76-V78 PolarHBondContact O-N 3.36Å; V78-V121 HydrophobicContact CG2-CG1 4.37Å; V78-Q129 HydrophobicContact CB-CB 3.98Å; V78-Q129 HydrophobicContact CB-CG 4.09Å; V78-Q129 HydrophobicContact CG1-CB 4.31Å; V78-Q129 WeakPolarHBondContact O-CG 3.41Å; V78-V140 HydrophobicContact CB-CG2 4.49Å; V78-V140 HydrophobicContact CG2-CG1 4.5Å; V78-V140 HydrophobicContact CG2-CG2 3.57Å
79	G	97.9	Very high	98	Very high	15 Å²	15	38.2 Å²	38.2	16%	0.155	22%	0.22	C	C	.	.	S	Bend	trans	-164.1	-173.7	175.2	0	0	0	0	0	111.4	G77	G77-G79 VanDerWaalsContact C-N 3.27Å; G77-G79 PolarHBondContact O-N 3.38Å
80	T	98.7	Very high	98.1	Very high	8 Å²	8	37.6 Å²	37.6	5%	0.049	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.2	175	-62.6	0	0	0	0	109.9	Y82 R91 E92 V122	T80-Y82 HydrophobicContact CG2-CD2 4.26Å; T80-Y82 HydrophobicContact CG2-CE2 3.61Å; T80-Y82 VanDerWaalsContact O-CD2 3.31Å; T80-Y82 WeakPolarHBondContact O-CD2 3.5Å; T80-R91 HydrophobicContact CG2-CG 3.61Å; T80-E92 VanDerWaalsContact CA-OE1 3.24Å; T80-E92 WeakPolarHBondContact CA-OE1 3.43Å; T80-E92 HydrophobicContact CG2-CG 4.09Å; T80-V122 PolarHBondContact N-O 2.68Å; T80-V122 PolarHBondContact O-N 2.88Å
81	H	98.8	Very high	98.1	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.4	-178.1	-173.5	-138.8	0	0	0	112.3	V74 R91 E92 E119 M120 V121 Y373	V74-H81 HydrophobicContact CG1-CB 4.29Å; V74-H81 HydrophobicContact CG2-CB 4.07Å; H81-R91 WeakPolarHBondContact O-CA 3.41Å; H81-R91 WeakPolarHBondContact O-CG 3.33Å; H81-E92 PolarHBondContact N-OE1 3.42Å; H81-E92 PolarHBondContact O-N 2.94Å; H81-E92 VanDerWaalsContact O-N 3.08Å; H81-E119 IonicContact CE1-OE2 3.09Å; H81-E119 PolarHBondContact CE1-OE2 2.95Å; H81-E119 IonicContact NE2-OE2 3.81Å; H81-E119 PolarHBondContact NE2-OE2 3.31Å; H81-E119 VanDerWaalsContact NE2-OE2 3.09Å; H81-M120 PolarHBondContact CD2-O 2.97Å; H81-V121 HydrophobicContact CB-CG2 4.48Å; H81-Y373 HydrophobicContact CB-CE2 4.27Å; H81-Y373 WeakPolarHBondContact CB-OH 3.44Å; H81-Y373 AromaticContact CE1-CE2 3.97Å; H81-Y373 AromaticContact CG-CE2 3.96Å; H81-Y373 AromaticContact ND1-CE2 3.27Å; H81-Y373 VanDerWaalsContact ND1-CE2 3.27Å; H81-Y373 WeakPolarHBondContact ND1-CE2 3.34Å; H81-Y373 AromaticContact ND1-CZ 3.4Å; H81-Y373 PolarHBondContact ND1-OH 3.22Å
82	Y	98.9	Very high	98	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	150.7	177.8	-69.9	-91.2	0	0	0	111.1	T80 L89 Y90 R91 C101 E105 E119 M120 V122	T80-Y82 HydrophobicContact CG2-CD2 4.26Å; T80-Y82 HydrophobicContact CG2-CE2 3.61Å; T80-Y82 VanDerWaalsContact O-CD2 3.31Å; T80-Y82 WeakPolarHBondContact O-CD2 3.5Å; Y82-L89 HydrophobicContact CD1-CD1 3.83Å; Y82-L89 HydrophobicContact CD1-CD2 4.43Å; Y82-L89 HydrophobicContact CD1-CG 4.29Å; Y82-L89 HydrophobicContact CG-CD1 4.48Å; Y82-Y90 CarbonylContact C-O 3.56Å; Y82-Y90 VanDerWaalsContact CA-O 3.32Å; Y82-Y90 WeakPolarHBondContact CA-O 3.41Å; Y82-R91 HydrophobicContact CD1-CB 3.76Å; Y82-R91 HydrophobicContact CD1-CG 3.59Å; Y82-R91 HydrophobicContact CD2-CG 4.4Å; Y82-R91 HydrophobicContact CE1-CB 3.78Å; Y82-R91 HydrophobicContact CE1-CG 3.35Å; Y82-R91 HydrophobicContact CE2-CG 4.19Å; Y82-R91 HydrophobicContact CG-CG 4.13Å; Y82-R91 WeakPolarHBondContact OH-CD 3.25Å; Y82-C101 VanDerWaalsContact OH-CB 3.3Å; Y82-C101 WeakPolarHBondContact OH-CB 3.42Å; Y82-C101 PolarHBondContact OH-SG 3.39Å; Y82-C101 VanDerWaalsContact OH-SG 3.38Å; Y82-E105 HydrophobicContact CE1-CG 3.74Å; Y82-E105 PolarHBondContact OH-OE1 2.92Å; Y82-E119 VanDerWaalsContact O-CA 3.31Å; Y82-E119 WeakPolarHBondContact O-CA 3.28Å; Y82-M120 HydrophobicContact CG-CE 4.28Å; Y82-M120 PolarHBondContact N-O 3.42Å; Y82-M120 PolarHBondContact O-N 3.3Å; Y82-V122 HydrophobicContact CD2-CB 4.09Å; Y82-V122 HydrophobicContact CD2-CG2 3.86Å; Y82-V122 HydrophobicContact CE2-CB 4.02Å; Y82-V122 HydrophobicContact CE2-CG2 4.21Å
83	Q	98.9	Very high	97.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.8	173.2	-51.2	-174	-63.4	0	0	109.2	I85 L89 Y90 V118 E119 K368 Y373	Q83-I85 HydrophobicContact CB-CG1 4.11Å; Q83-L89 CarbonylContact O-C 3.28Å; Q83-Y90 PolarHBondContact N-O 3.18Å; Q83-Y90 PolarHBondContact O-N 3.26Å; Q83-V118 CarbonylContact C-O 3.58Å; Q83-V118 WeakPolarHBondContact CA-O 3.16Å; Q83-E119 HydrophobicContact CB-CB 4.27Å; Q83-E119 HydrophobicContact CG-CB 3.81Å; Q83-E119 PolarHBondContact NE2-OE2 3.43Å; Q83-E119 VanDerWaalsContact NE2-OE2 3.14Å; Q83-K368 PolarHBondContact NE2-O 2.93Å; Q83-Y373 HydrophobicContact CG-CD2 4.16Å; Q83-Y373 HydrophobicContact CG-CE2 4.18Å
84	V	98.9	Very high	97.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.7	164.3	179.2	0	0	0	0	106.9	K88 L89 I108 V112 L115 D117 V118	V84-K88 VanDerWaalsContact CA-O 3.31Å; V84-K88 WeakPolarHBondContact CA-O 3.44Å; V84-L89 HydrophobicContact CG2-CD1 3.91Å; V84-I108 HydrophobicContact CG2-CG2 4.25Å; V84-V112 HydrophobicContact CG1-CG2 3.86Å; V84-V112 HydrophobicContact CG2-CG2 4.46Å; V84-L115 HydrophobicContact CG1-CB 4.18Å; V84-L115 HydrophobicContact CG2-CD1 4.2Å; V84-D117 CarbonylContact O-C 3.56Å; V84-D117 VanDerWaalsContact O-CA 3.27Å; V84-D117 WeakPolarHBondContact O-CA 3.45Å; V84-V118 HydrophobicContact CB-CG1 3.87Å; V84-V118 HydrophobicContact CG2-CG1 4.09Å; V84-V118 PolarHBondContact N-O 3.34Å; V84-V118 PolarHBondContact O-N 2.79Å
85	I	98.8	Very high	97.6	Very high	30 Å²	30	48.4 Å²	48.4	15%	0.154	26%	0.257	C	S	.	.			trans	-135.4	118.1	-178.7	-54.5	-69.7	0	0	0	109	Q83 K88 Y90 D117 P367 R369	Q83-I85 HydrophobicContact CB-CG1 4.11Å; I85-K88 PolarHBondContact N-O 3.16Å; I85-K88 PolarHBondContact O-N 3.24Å; I85-Y90 HydrophobicContact CB-CD2 4.33Å; I85-Y90 HydrophobicContact CB-CE2 4.01Å; I85-D117 WeakPolarHBondContact CA-OD1 3.06Å; I85-D117 HydrophobicContact CD1-CB 4.39Å; I85-P367 HydrophobicContact CD1-CB 3.71Å; I85-R369 HydrophobicContact CG1-CB 4.16Å; I85-R369 HydrophobicContact CG2-CB 4.47Å
86	G	98.1	Very high	97.5	Very high	45 Å²	45	45.7 Å²	45.7	46%	0.464	25%	0.245	S	C	.	.	S	Bend	trans	56	50.7	-176.9	0	0	0	0	0	111.8	K88 D117	G86-K88 PolarHBondContact O-N 3.48Å; G86-D117 PolarHBondContact N-OD1 3.05Å
87	H	98.4	Very high	97.5	Very high	95 Å²	95	43.1 Å²	43.1	44%	0.44	23%	0.234	S	C	.	.	S	Bend	trans	58.6	28.2	179.5	-54	-62.8	0	0	0	114.7	V112 D113 L115	H87-V112 PolarHBondContact ND1-O 3.26Å; H87-D113 PolarHBondContact CE1-O 3.25Å; H87-D113 PolarHBondContact ND1-O 3.02Å; H87-L115 PolarHBondContact CE1-O 3.24Å; H87-L115 VanDerWaalsContact CE1-O 3.27Å; H87-L115 PolarHBondContact ND1-O 3.15Å; H87-L115 VanDerWaalsContact ND1-O 3.14Å
88	K	98.6	Very high	97.6	Very high	100 Å²	100	45.1 Å²	45.1	44%	0.435	24%	0.239	S	C	.	.			trans	-129.1	132.6	176.8	-67.3	174.5	-176.5	179.8	0	110.1	V84 I85 G86 Y90	V84-K88 VanDerWaalsContact CA-O 3.31Å; V84-K88 WeakPolarHBondContact CA-O 3.44Å; I85-K88 PolarHBondContact N-O 3.16Å; I85-K88 PolarHBondContact O-N 3.24Å; G86-K88 PolarHBondContact O-N 3.48Å; K88-Y90 HydrophobicContact CB-CD2 4.49Å; K88-Y90 HydrophobicContact CB-CE2 3.59Å; K88-Y90 WeakPolarHBondContact O-CD2 3.06Å; K88-Y90 WeakPolarHBondContact O-CE2 3.24Å
89	L	98.8	Very high	97.7	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132.1	176.1	-176	60.4	0	0	0	110.6	Y82 Q83 V84 E105 I108 L109 V112 Q375 I376	Y82-L89 HydrophobicContact CD1-CD1 3.83Å; Y82-L89 HydrophobicContact CD1-CD2 4.43Å; Y82-L89 HydrophobicContact CD1-CG 4.29Å; Y82-L89 HydrophobicContact CG-CD1 4.48Å; Q83-L89 CarbonylContact O-C 3.28Å; V84-L89 HydrophobicContact CG2-CD1 3.91Å; L89-E105 HydrophobicContact CD2-CB 4.37Å; L89-E105 HydrophobicContact CD2-CG 4.19Å; L89-I108 HydrophobicContact CD1-CG2 3.89Å; L89-I108 HydrophobicContact CD2-CB 4.09Å; L89-I108 HydrophobicContact CD2-CG2 3.9Å; L89-I108 HydrophobicContact CG-CG2 4.4Å; L89-L109 HydrophobicContact CB-CD2 4.03Å; L89-L109 HydrophobicContact CD2-CD2 4.2Å; L89-L109 HydrophobicContact CD2-CG 4.15Å; L89-V112 HydrophobicContact CB-CG2 4.46Å; L89-Q375 CarbonylContact O-C 3.59Å; L89-Q375 WeakPolarHBondContact O-CA 3.36Å; L89-Q375 WeakPolarHBondContact O-CG 2.9Å; L89-I376 HydrophobicContact CB-CB 4.39Å; L89-I376 HydrophobicContact CD2-CB 4.08Å; L89-I376 HydrophobicContact CD2-CG1 4.49Å; L89-I376 HydrophobicContact CD2-CG2 4.29Å; L89-I376 HydrophobicContact CG-CB 4.12Å; L89-I376 HydrophobicContact CG-CG1 4.34Å; L89-I376 PolarHBondContact O-N 2.83Å
90	Y	98.8	Very high	97.7	Very high	15 Å²	15	47.1 Å²	47.1	6%	0.059	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.3	173.8	-55.9	-91.3	0	0	0	109.3	Y82 Q83 I85 K88 R369 K374 Q375	Y82-Y90 CarbonylContact C-O 3.56Å; Y82-Y90 VanDerWaalsContact CA-O 3.32Å; Y82-Y90 WeakPolarHBondContact CA-O 3.41Å; Q83-Y90 PolarHBondContact N-O 3.18Å; Q83-Y90 PolarHBondContact O-N 3.26Å; I85-Y90 HydrophobicContact CB-CD2 4.33Å; I85-Y90 HydrophobicContact CB-CE2 4.01Å; K88-Y90 HydrophobicContact CB-CD2 4.49Å; K88-Y90 HydrophobicContact CB-CE2 3.59Å; K88-Y90 WeakPolarHBondContact O-CD2 3.06Å; K88-Y90 WeakPolarHBondContact O-CE2 3.24Å; Y90-R369 HydrophobicContact CD1-CG 4.32Å; Y90-R369 HydrophobicContact CD2-CG 4.45Å; Y90-R369 HydrophobicContact CE1-CG 4.46Å; Y90-R369 VanDerWaalsContact CE1-CZ 3.45Å; Y90-R369 VanDerWaalsContact CE1-NE 3.35Å; Y90-R369 HydrophobicContact CG-CG 4.32Å; Y90-K374 VanDerWaalsContact CA-O 3.31Å; Y90-K374 WeakPolarHBondContact CA-O 3.29Å; Y90-Q375 HydrophobicContact CD1-CB 3.87Å; Y90-Q375 HydrophobicContact CD1-CG 4.38Å; Y90-Q375 HydrophobicContact CE1-CB 3.72Å; Y90-Q375 HydrophobicContact CE1-CG 4.06Å
91	R	98.6	Very high	97.7	Very high	37 Å²	37	46.7 Å²	46.7	14%	0.14	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	152.6	179.1	-165.3	-166.6	79	-173.5	5.3	111	T80 H81 Y82 H93 E105 Y373 K374 I376	T80-R91 HydrophobicContact CG2-CG 3.61Å; H81-R91 WeakPolarHBondContact O-CA 3.41Å; H81-R91 WeakPolarHBondContact O-CG 3.33Å; Y82-R91 HydrophobicContact CD1-CB 3.76Å; Y82-R91 HydrophobicContact CD1-CG 3.59Å; Y82-R91 HydrophobicContact CD2-CG 4.4Å; Y82-R91 HydrophobicContact CE1-CB 3.78Å; Y82-R91 HydrophobicContact CE1-CG 3.35Å; Y82-R91 HydrophobicContact CE2-CG 4.19Å; Y82-R91 HydrophobicContact CG-CG 4.13Å; Y82-R91 WeakPolarHBondContact OH-CD 3.25Å; R91-H93 PolarHBondContact NH2-O 2.79Å; R91-E105 WeakPolarHBondContact CD-OE1 3.35Å; R91-E105 IonicContact CZ-OE1 3.65Å; R91-E105 IonicContact NE-OE1 3.88Å; R91-E105 IonicContact NH1-OE1 2.72Å; R91-E105 PolarHBondContact NH1-OE1 2.95Å; R91-Y373 VanDerWaalsContact C-CD2 3.47Å; R91-Y373 WeakPolarHBondContact O-CA 3.45Å; R91-Y373 WeakPolarHBondContact O-CB 3.28Å; R91-K374 PolarHBondContact N-O 3.02Å; R91-K374 VanDerWaalsContact N-O 3.07Å; R91-K374 PolarHBondContact O-N 2.89Å; R91-I376 HydrophobicContact CB-CD1 3.92Å; R91-I376 HydrophobicContact CB-CG1 3.82Å
92	E	97.5	Very high	97.7	Very high	46 Å²	46	47.8 Å²	47.8	22%	0.215	25%	0.254	C	S	.	.			trans	-59.3	160.9	163.3	77.2	-178.4	140.3	0	0	112.4	T80 H81 N94 Y373	T80-E92 VanDerWaalsContact CA-OE1 3.24Å; T80-E92 WeakPolarHBondContact CA-OE1 3.43Å; T80-E92 HydrophobicContact CG2-CG 4.09Å; H81-E92 PolarHBondContact N-OE1 3.42Å; H81-E92 PolarHBondContact O-N 2.94Å; H81-E92 VanDerWaalsContact O-N 3.08Å; E92-N94 PolarHBondContact O-N 3.39Å; E92-Y373 HydrophobicContact CB-CD1 4.23Å; E92-Y373 HydrophobicContact CB-CE1 3.56Å; E92-Y373 HydrophobicContact CB-CE2 4.09Å; E92-Y373 VanDerWaalsContact CB-CZ 3.47Å
93	H	95	Very high	97.7	Very high	127 Å²	127	47.8 Å²	47.8	59%	0.588	25%	0.254	S	S	*	.	S	Bend	trans	-64.5	-45.8	-175.2	-171.7	47.2	0	0	0	112.2	R91	R91-H93 PolarHBondContact NH2-O 2.79Å
94	N	94.1	Very high	97.7	Very high	116 Å²	116	47.7 Å²	47.7	62%	0.62	25%	0.254	S	S	*	.			trans	-80.6	126.6	-170.5	-66.3	-19.1	0	0	0	111.5	E92	E92-N94 PolarHBondContact O-N 3.39Å
95	C	96.1	Very high	97.7	Very high	18 Å²	18	48.3 Å²	48.3	12%	0.122	26%	0.257	C	S	.	.			trans	-134	118.2	163	170.9	0	0	0	0	108	F97 C101	C95-F97 PolarHBondContact O-N 2.8Å; C95-F97 PolarHBondContact SG-O 2.85Å; C95-C101 HydrophobicContact CB-CB 3.97Å; C95-C101 WeakPolarHBondContact CB-SG 3.42Å; C95-C101 WeakPolarHBondContact SG-CB 3.45Å; C95-C101 CovalentContact SG-SG 2.02Å; C95-C101 PolarHBondContact SG-SG 3.42Å
96	M	94.8	Very high	97.7	Very high	110 Å²	110	47.9 Å²	47.9	54%	0.542	25%	0.254	S	S	.	.	S	Bend	trans	-62.3	-32.3	-177.2	179	170.2	-72.9	0	0	112.6	R125	M96-R125 PolarHBondContact SD-NH1 2.76Å
97	F	97.4	Very high	97.7	Very high	75 Å²	75	45.7 Å²	45.7	33%	0.329	23%	0.232	S	C	.	.	S	Bend	trans	-124.9	84.7	179.5	-63.8	-73	0	0	0	110	C95 A99 R100 C101 V124 R125	C95-F97 PolarHBondContact O-N 2.8Å; C95-F97 PolarHBondContact SG-O 2.85Å; F97-A99 VanDerWaalsContact C-N 3.33Å; F97-A99 PolarHBondContact O-N 3.29Å; F97-R100 HydrophobicContact CB-CB 3.84Å; F97-R100 VanDerWaalsContact CB-CD 3.48Å; F97-R100 HydrophobicContact CB-CG 3.65Å; F97-R100 HydrophobicContact CG-CG 4.41Å; F97-R100 WeakPolarHBondContact O-CB 3.28Å; F97-R100 PolarHBondContact O-N 3.4Å; F97-C101 PolarHBondContact O-N 2.76Å; F97-C101 VanDerWaalsContact O-N 3.08Å; F97-V124 HydrophobicContact CB-CG2 4.36Å; F97-V124 HydrophobicContact CD2-CG2 4.33Å; F97-R125 HydrophobicContact CE2-CG 4.19Å
98	P	97.4	Very high	97.7	Very high	88 Å²	88	41.2 Å²	41.2	57%	0.571	21%	0.211	S	C	*	.	H	α-helix	trans	-53.7	-43.5	-171.1	-30	36.4	0	0	0	114.5	R100 C101 S102	P98-R100 VanDerWaalsContact C-N 3.31Å; P98-R100 PolarHBondContact O-N 2.93Å; P98-C101 PolarHBondContact O-N 3.19Å; P98-S102 PolarHBondContact O-N 3.46Å; P98-S102 PolarHBondContact O-OG 2.96Å
99	A	97.4	Very high	97.7	Very high	44 Å²	44	38 Å²	38	36%	0.364	20%	0.198	S	C	.	.	H	α-helix	trans	-64.3	-34.5	177.8	0	0	0	0	0	112.6	F97 S102 G103 E161	F97-A99 VanDerWaalsContact C-N 3.33Å; F97-A99 PolarHBondContact O-N 3.29Å; A99-S102 PolarHBondContact O-N 2.85Å; A99-G103 PolarHBondContact O-N 3.4Å; A99-E161 WeakPolarHBondContact O-CG 3.42Å
100	R	98.6	Very high	97.7	Very high	32 Å²	32	41.5 Å²	41.5	12%	0.121	21%	0.214	C	C	.	.	H	α-helix	trans	-69.1	-41.6	176.1	-58.8	-174.9	-179.6	-166.6	-1.8	111.4	F97 P98 S102 G103 V104 V124 D126 W157 G162	F97-R100 HydrophobicContact CB-CB 3.84Å; F97-R100 VanDerWaalsContact CB-CD 3.48Å; F97-R100 HydrophobicContact CB-CG 3.65Å; F97-R100 HydrophobicContact CG-CG 4.41Å; F97-R100 WeakPolarHBondContact O-CB 3.28Å; F97-R100 PolarHBondContact O-N 3.4Å; P98-R100 VanDerWaalsContact C-N 3.31Å; P98-R100 PolarHBondContact O-N 2.93Å; R100-S102 VanDerWaalsContact C-N 3.32Å; R100-S102 PolarHBondContact O-N 3.12Å; R100-G103 PolarHBondContact O-N 3.29Å; R100-V104 PolarHBondContact O-N 3.31Å; R100-V124 HydrophobicContact CB-CB 3.93Å; R100-V124 HydrophobicContact CB-CG1 4.32Å; R100-V124 WeakPolarHBondContact CD-O 3.32Å; R100-V124 PolarHBondContact NH1-O 2.9Å; R100-D126 IonicContact CZ-OD1 2.79Å; R100-D126 IonicContact NH1-OD1 3.38Å; R100-D126 PolarHBondContact NH1-OD1 3.33Å; R100-D126 IonicContact NH2-OD1 3.06Å; R100-D126 PolarHBondContact NH2-OD1 2.94Å; R100-W157 HydrophobicContact CB-CB 4.16Å; R100-W157 HydrophobicContact CB-CD2 3.71Å; R100-W157 HydrophobicContact CB-CE3 4.12Å; R100-W157 HydrophobicContact CB-CG 3.69Å; R100-W157 VanDerWaalsContact CD-CZ2 3.49Å; R100-W157 HydrophobicContact CG-CD2 3.79Å; R100-W157 HydrophobicContact CG-CG 3.83Å; R100-W157 HydrophobicContact CG-CZ2 4.3Å; R100-W157 VanDerWaalsContact CZ-CZ2 3.47Å; R100-W157 VanDerWaalsContact O-CB 3.24Å; R100-W157 WeakPolarHBondContact O-CB 3.39Å; R100-G162 WeakPolarHBondContact CG-O 3.44Å
101	C	98.5	Very high	97.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-43.6	171.7	-72.7	0	0	0	0	111.2	Y82 C95 F97 P98 G103 V104 E105	Y82-C101 VanDerWaalsContact OH-CB 3.3Å; Y82-C101 WeakPolarHBondContact OH-CB 3.42Å; Y82-C101 PolarHBondContact OH-SG 3.39Å; Y82-C101 VanDerWaalsContact OH-SG 3.38Å; C95-C101 HydrophobicContact CB-CB 3.97Å; C95-C101 WeakPolarHBondContact CB-SG 3.42Å; C95-C101 WeakPolarHBondContact SG-CB 3.45Å; C95-C101 CovalentContact SG-SG 2.02Å; C95-C101 PolarHBondContact SG-SG 3.42Å; F97-C101 PolarHBondContact O-N 2.76Å; F97-C101 VanDerWaalsContact O-N 3.08Å; P98-C101 PolarHBondContact O-N 3.19Å; C101-G103 VanDerWaalsContact C-N 3.34Å; C101-G103 PolarHBondContact O-N 3.23Å; C101-V104 PolarHBondContact O-N 3.05Å; C101-V104 VanDerWaalsContact O-N 3.15Å; C101-E105 WeakPolarHBondContact O-CB 3.44Å; C101-E105 VanDerWaalsContact O-CD 3.29Å; C101-E105 WeakPolarHBondContact O-CG 3.49Å; C101-E105 PolarHBondContact O-N 2.78Å
102	S	98.3	Very high	97.6	Very high	23 Å²	23	39.5 Å²	39.5	16%	0.161	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-38.1	176.3	-65.5	0	0	0	0	113.2	P98 A99 R100 V104 E105 H106 E161	P98-S102 PolarHBondContact O-N 3.46Å; P98-S102 PolarHBondContact O-OG 2.96Å; A99-S102 PolarHBondContact O-N 2.85Å; R100-S102 VanDerWaalsContact C-N 3.32Å; R100-S102 PolarHBondContact O-N 3.12Å; S102-V104 PolarHBondContact O-N 3.37Å; S102-E105 WeakPolarHBondContact CA-OE2 3.24Å; S102-E105 PolarHBondContact O-N 3.42Å; S102-H106 WeakPolarHBondContact O-CB 3.39Å; S102-H106 PolarHBondContact O-N 3.09Å; S102-E161 WeakPolarHBondContact CB-OE1 3.14Å
103	G	98.4	Very high	97.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-36.7	172.1	0	0	0	0	0	114	A99 R100 C101 F107	A99-G103 PolarHBondContact O-N 3.4Å; R100-G103 PolarHBondContact O-N 3.29Å; C101-G103 VanDerWaalsContact C-N 3.34Å; C101-G103 PolarHBondContact O-N 3.23Å; G103-F107 WeakPolarHBondContact O-CD2 3.49Å
104	V	98.8	Very high	97.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.9	-48.5	171.9	169.4	0	0	0	0	111	R100 C101 S102 H106 F107 I108 V122 V124 Y154 W157 W352	R100-V104 PolarHBondContact O-N 3.31Å; C101-V104 PolarHBondContact O-N 3.05Å; C101-V104 VanDerWaalsContact O-N 3.15Å; S102-V104 PolarHBondContact O-N 3.37Å; V104-H106 VanDerWaalsContact C-N 3.25Å; V104-H106 PolarHBondContact O-N 3.07Å; V104-F107 PolarHBondContact O-N 3.02Å; V104-I108 HydrophobicContact CG1-CD1 3.61Å; V104-I108 HydrophobicContact CG1-CG1 4.32Å; V104-I108 WeakPolarHBondContact O-CG1 3.49Å; V104-I108 PolarHBondContact O-N 3.49Å; V104-V122 HydrophobicContact CG1-CG1 4.26Å; V104-V122 HydrophobicContact CG2-CG1 4.31Å; V104-V124 HydrophobicContact CG2-CG1 4.24Å; V104-Y154 HydrophobicContact CG2-CE2 3.77Å; V104-W157 HydrophobicContact CG2-CB 4.3Å; V104-W352 HydrophobicContact CG1-CH2 3.89Å; V104-W352 HydrophobicContact CG1-CZ2 4.11Å; V104-W352 HydrophobicContact CG2-CZ2 4.36Å
105	E	98.8	Very high	98	Very high	13 Å²	13	37.9 Å²	37.9	6%	0.061	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-37	-178.5	-71.7	158.3	-177.2	0	0	111.7	Y82 L89 R91 C101 S102 F107 I108 L109 I376	Y82-E105 HydrophobicContact CE1-CG 3.74Å; Y82-E105 PolarHBondContact OH-OE1 2.92Å; L89-E105 HydrophobicContact CD2-CB 4.37Å; L89-E105 HydrophobicContact CD2-CG 4.19Å; R91-E105 WeakPolarHBondContact CD-OE1 3.35Å; R91-E105 IonicContact CZ-OE1 3.65Å; R91-E105 IonicContact NE-OE1 3.88Å; R91-E105 IonicContact NH1-OE1 2.72Å; R91-E105 PolarHBondContact NH1-OE1 2.95Å; C101-E105 WeakPolarHBondContact O-CB 3.44Å; C101-E105 VanDerWaalsContact O-CD 3.29Å; C101-E105 WeakPolarHBondContact O-CG 3.49Å; C101-E105 PolarHBondContact O-N 2.78Å; S102-E105 WeakPolarHBondContact CA-OE2 3.24Å; S102-E105 PolarHBondContact O-N 3.42Å; E105-F107 PolarHBondContact O-N 2.98Å; E105-I108 PolarHBondContact O-N 2.89Å; E105-L109 VanDerWaalsContact O-CB 3.29Å; E105-L109 WeakPolarHBondContact O-CB 3.3Å; E105-L109 WeakPolarHBondContact O-CG 3.31Å; E105-L109 PolarHBondContact O-N 3.2Å; E105-I376 HydrophobicContact CB-CG2 4.14Å; E105-I376 HydrophobicContact CG-CG2 3.93Å
106	H	98.6	Very high	98.1	Very high	20 Å²	20	39.4 Å²	39.4	9%	0.093	21%	0.205	C	C	.	.	H	α-helix	trans	-50.8	-56.3	175	171.6	80.7	0	0	0	111.7	S102 V104 I108 L109 E110 W160	S102-H106 WeakPolarHBondContact O-CB 3.39Å; S102-H106 PolarHBondContact O-N 3.09Å; V104-H106 VanDerWaalsContact C-N 3.25Å; V104-H106 PolarHBondContact O-N 3.07Å; H106-I108 PolarHBondContact O-N 3.3Å; H106-L109 PolarHBondContact O-N 3.07Å; H106-E110 IonicContact CE1-OE1 3.93Å; H106-E110 PolarHBondContact CE1-OE1 3.02Å; H106-E110 IonicContact NE2-OE1 2.77Å; H106-E110 PolarHBondContact NE2-OE1 3.39Å; H106-E110 WeakPolarHBondContact O-CG 3.37Å; H106-E110 PolarHBondContact O-N 3.32Å; H106-E110 VanDerWaalsContact O-N 3.17Å; H106-W160 HydrophobicContact CB-CB 4.36Å; H106-W160 HydrophobicContact CB-CG 3.91Å; H106-W160 AromaticContact CD2-CD2 3.59Å; H106-W160 AromaticContact CD2-CE3 3.93Å; H106-W160 AromaticContact CD2-CG 3.5Å; H106-W160 AromaticContact CE1-CD2 3.46Å; H106-W160 VanDerWaalsContact CE1-CD2 3.46Å; H106-W160 AromaticContact CE1-CE2 3.47Å; H106-W160 VanDerWaalsContact CE1-CE2 3.47Å; H106-W160 AromaticContact CE1-CE3 3.57Å; H106-W160 AromaticContact CE1-CH2 3.72Å; H106-W160 AromaticContact CE1-CZ2 3.62Å; H106-W160 AromaticContact CE1-CZ3 3.7Å; H106-W160 AromaticContact CG-CD1 3.52Å; H106-W160 AromaticContact CG-CD2 3.69Å; H106-W160 AromaticContact CG-CE2 3.84Å; H106-W160 AromaticContact CG-CG 3.5Å; H106-W160 AromaticContact CG-NE1 3.74Å; H106-W160 AromaticContact ND1-CD1 3.82Å; H106-W160 AromaticContact ND1-CD2 3.6Å; H106-W160 AromaticContact ND1-CE2 3.37Å; H106-W160 AromaticContact ND1-CG 3.9Å; H106-W160 AromaticContact ND1-CZ2 3.79Å; H106-W160 AromaticContact ND1-NE1 3.52Å; H106-W160 AromaticContact NE2-CD2 3.42Å; H106-W160 AromaticContact NE2-CE2 3.95Å; H106-W160 AromaticContact NE2-CE3 3.34Å; H106-W160 VanDerWaalsContact NE2-CE3 3.34Å; H106-W160 AromaticContact NE2-CG 3.88Å; H106-W160 AromaticContact NE2-CZ3 3.79Å
107	F	98.6	Very high	98.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.4	-37.5	-177.6	-64.7	-68.8	0	0	0	113	G103 V104 E105 L109 E110 F159 W160 M345 I348 W352	G103-F107 WeakPolarHBondContact O-CD2 3.49Å; V104-F107 PolarHBondContact O-N 3.02Å; E105-F107 PolarHBondContact O-N 2.98Å; F107-L109 VanDerWaalsContact C-N 3.34Å; F107-E110 PolarHBondContact O-N 3Å; F107-F159 HydrophobicContact CE2-CB 3.88Å; F107-F159 HydrophobicContact CZ-CB 3.54Å; F107-W160 HydrophobicContact CE2-CB 3.88Å; F107-W160 HydrophobicContact CZ-CB 3.97Å; F107-M345 HydrophobicContact CE1-CE 3.53Å; F107-M345 HydrophobicContact CZ-CE 3.73Å; F107-I348 HydrophobicContact CD1-CG2 3.94Å; F107-I348 HydrophobicContact CD2-CG2 4.5Å; F107-I348 HydrophobicContact CE1-CB 4.14Å; F107-I348 HydrophobicContact CE1-CG2 3.52Å; F107-I348 HydrophobicContact CE2-CG2 4.15Å; F107-I348 HydrophobicContact CG-CG2 4.41Å; F107-I348 HydrophobicContact CZ-CG2 3.66Å; F107-W352 HydrophobicContact CB-CB 4.43Å; F107-W352 HydrophobicContact CB-CD2 4.45Å; F107-W352 HydrophobicContact CB-CG 3.88Å; F107-W352 AromaticContact CD2-NE1 3.67Å; F107-W352 AromaticContact CG-CD1 3.64Å; F107-W352 AromaticContact CG-NE1 3.75Å
108	I	98.7	Very high	98.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65	-42.4	177.9	-59.2	175.1	0	0	0	110.1	V84 L89 V104 E105 H106 E110 V111 V112 L115 M120 W352 L356	V84-I108 HydrophobicContact CG2-CG2 4.25Å; L89-I108 HydrophobicContact CD1-CG2 3.89Å; L89-I108 HydrophobicContact CD2-CB 4.09Å; L89-I108 HydrophobicContact CD2-CG2 3.9Å; L89-I108 HydrophobicContact CG-CG2 4.4Å; V104-I108 HydrophobicContact CG1-CD1 3.61Å; V104-I108 HydrophobicContact CG1-CG1 4.32Å; V104-I108 WeakPolarHBondContact O-CG1 3.49Å; V104-I108 PolarHBondContact O-N 3.49Å; E105-I108 PolarHBondContact O-N 2.89Å; H106-I108 PolarHBondContact O-N 3.3Å; I108-E110 VanDerWaalsContact C-N 3.32Å; I108-E110 PolarHBondContact O-N 3.35Å; I108-V111 WeakPolarHBondContact O-CG2 3.48Å; I108-V111 PolarHBondContact O-N 3.16Å; I108-V112 WeakPolarHBondContact O-CA 3.27Å; I108-V112 WeakPolarHBondContact O-CB 3.43Å; I108-V112 PolarHBondContact O-N 2.69Å; I108-L115 HydrophobicContact CG2-CD1 4.22Å; I108-M120 HydrophobicContact CD1-CE 3.66Å; I108-W352 HydrophobicContact CG1-CE3 4.49Å; I108-L356 HydrophobicContact CG1-CD1 4.03Å; I108-L356 HydrophobicContact CG2-CD1 4.2Å
109	L	98.6	Very high	98.4	Very high	32 Å²	32	29.1 Å²	29.1	17%	0.168	15%	0.151	C	C	.	.	H	α-helix	trans	-65.6	-31.8	179	-72.5	170.9	0	0	0	112.9	L89 E105 H106 F107 V111 V112 I376 Q378	L89-L109 HydrophobicContact CB-CD2 4.03Å; L89-L109 HydrophobicContact CD2-CD2 4.2Å; L89-L109 HydrophobicContact CD2-CG 4.15Å; E105-L109 VanDerWaalsContact O-CB 3.29Å; E105-L109 WeakPolarHBondContact O-CB 3.3Å; E105-L109 WeakPolarHBondContact O-CG 3.31Å; E105-L109 PolarHBondContact O-N 3.2Å; H106-L109 PolarHBondContact O-N 3.07Å; F107-L109 VanDerWaalsContact C-N 3.34Å; L109-V111 PolarHBondContact O-N 3.3Å; L109-V112 WeakPolarHBondContact O-CG1 3.23Å; L109-I376 HydrophobicContact CD1-CG2 4.21Å; L109-Q378 HydrophobicContact CD1-CB 4.36Å
110	E	97.9	Very high	98.5	Very high	75 Å²	75	27 Å²	27	35%	0.35	13%	0.133	S	C	.	.	H	α-helix	trans	-63.5	-25	175	-73.7	-171.4	161.9	0	0	113.6	H106 F107 I108 R114 T349	H106-E110 IonicContact CE1-OE1 3.93Å; H106-E110 PolarHBondContact CE1-OE1 3.02Å; H106-E110 IonicContact NE2-OE1 2.77Å; H106-E110 PolarHBondContact NE2-OE1 3.39Å; H106-E110 WeakPolarHBondContact O-CG 3.37Å; H106-E110 PolarHBondContact O-N 3.32Å; H106-E110 VanDerWaalsContact O-N 3.17Å; F107-E110 PolarHBondContact O-N 3Å; I108-E110 VanDerWaalsContact C-N 3.32Å; I108-E110 PolarHBondContact O-N 3.35Å; E110-R114 PolarHBondContact O-NH1 2.94Å; E110-R114 PolarHBondContact O-NH2 3.33Å; E110-T349 HydrophobicContact CB-CG2 4.06Å; E110-T349 WeakPolarHBondContact OE2-CG2 3.12Å; E110-T349 PolarHBondContact OE2-OG1 3.49Å
111	V	98	Very high	98.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-115.9	-4.1	-173.9	-49.7	0	0	0	0	112.9	I108 L109 D113 R114 L115 T349 E353	I108-V111 WeakPolarHBondContact O-CG2 3.48Å; I108-V111 PolarHBondContact O-N 3.16Å; L109-V111 PolarHBondContact O-N 3.3Å; V111-D113 PolarHBondContact O-N 2.97Å; V111-D113 VanDerWaalsContact O-N 3.12Å; V111-R114 PolarHBondContact O-N 2.93Å; V111-L115 HydrophobicContact CG2-CD1 3.85Å; V111-L115 HydrophobicContact CG2-CD2 4.16Å; V111-L115 HydrophobicContact CG2-CG 3.96Å; V111-L115 PolarHBondContact O-N 3.02Å; V111-T349 HydrophobicContact CG1-CG2 3.4Å; V111-T349 VanDerWaalsContact CG1-CG2 3.4Å; V111-E353 HydrophobicContact CB-CB 4.12Å; V111-E353 HydrophobicContact CB-CG 4.24Å; V111-E353 HydrophobicContact CG1-CB 3.96Å; V111-E353 HydrophobicContact CG1-CG 4.48Å; V111-E353 HydrophobicContact CG2-CB 4.39Å
112	V	98.4	Very high	98.5	Very high	11 Å²	11	25.6 Å²	25.6	7%	0.067	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-57.3	-33.8	-168.4	74	0	0	0	0	113.9	V84 H87 L89 I108 L109 R114 L115	V84-V112 HydrophobicContact CG1-CG2 3.86Å; V84-V112 HydrophobicContact CG2-CG2 4.46Å; H87-V112 PolarHBondContact ND1-O 3.26Å; L89-V112 HydrophobicContact CB-CG2 4.46Å; I108-V112 WeakPolarHBondContact O-CA 3.27Å; I108-V112 WeakPolarHBondContact O-CB 3.43Å; I108-V112 PolarHBondContact O-N 2.69Å; L109-V112 WeakPolarHBondContact O-CG1 3.23Å; V112-R114 PolarHBondContact O-N 3.39Å; V112-L115 PolarHBondContact O-N 2.8Å
113	D	97.9	Very high	98.6	Very high	121 Å²	121	24.5 Å²	24.5	65%	0.647	12%	0.12	S	C	*	.	G	3₁₀ helix	trans	-69.1	-16.1	178.6	-65.3	-32.7	0	0	0	113.4	H87 V111	H87-D113 PolarHBondContact CE1-O 3.25Å; H87-D113 PolarHBondContact ND1-O 3.02Å; V111-D113 PolarHBondContact O-N 2.97Å; V111-D113 VanDerWaalsContact O-N 3.12Å
114	R	98.1	Very high	98.6	Very high	132 Å²	132	24.7 Å²	24.7	50%	0.498	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-106.3	-8.3	178	-61.1	-176	-61.7	-73.7	3.9	112.8	E110 V111 V112 E353	E110-R114 PolarHBondContact O-NH1 2.94Å; E110-R114 PolarHBondContact O-NH2 3.33Å; V111-R114 PolarHBondContact O-N 2.93Å; V112-R114 PolarHBondContact O-N 3.39Å; R114-E353 IonicContact CZ-OE2 2.94Å; R114-E353 VanDerWaalsContact NE-CD 3.32Å; R114-E353 IonicContact NE-OE1 3.36Å; R114-E353 PolarHBondContact NE-OE1 2.9Å; R114-E353 IonicContact NE-OE2 3.38Å; R114-E353 PolarHBondContact NE-OE2 3.04Å; R114-E353 IonicContact NH2-OE2 3.25Å; R114-E353 PolarHBondContact NH2-OE2 3.09Å
115	L	98.6	Very high	98.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-82.2	140.1	-179.8	-66.3	-177.3	0	0	0	111.8	V84 H87 I108 V111 V112 L356	V84-L115 HydrophobicContact CG1-CB 4.18Å; V84-L115 HydrophobicContact CG2-CD1 4.2Å; H87-L115 PolarHBondContact CE1-O 3.24Å; H87-L115 VanDerWaalsContact CE1-O 3.27Å; H87-L115 PolarHBondContact ND1-O 3.15Å; H87-L115 VanDerWaalsContact ND1-O 3.14Å; I108-L115 HydrophobicContact CG2-CD1 4.22Å; V111-L115 HydrophobicContact CG2-CD1 3.85Å; V111-L115 HydrophobicContact CG2-CD2 4.16Å; V111-L115 HydrophobicContact CG2-CG 3.96Å; V111-L115 PolarHBondContact O-N 3.02Å; V112-L115 PolarHBondContact O-N 2.8Å; L115-L356 HydrophobicContact CD1-CB 4.09Å; L115-L356 HydrophobicContact CD1-CD1 3.57Å; L115-L356 HydrophobicContact CD1-CG 4.49Å; L115-L356 HydrophobicContact CD2-CB 3.75Å
116	P	98.5	Very high	98.5	Very high	50 Å²	50	31.4 Å²	31.4	33%	0.325	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-69.7	172.2	166.5	31.4	-34.9	0	0	0	111.6	V118 S360	P116-V118 PolarHBondContact O-N 2.97Å; P116-S360 WeakPolarHBondContact CG-OG 3.37Å
117	D	98.8	Very high	98.5	Very high	48 Å²	48	35.1 Å²	35.1	26%	0.257	16%	0.164	S	C	.	.	S	Bend	trans	-60.9	121.3	170.4	-72.8	-11.2	0	0	0	109.7	V84 I85 G86 K366	V84-D117 CarbonylContact O-C 3.56Å; V84-D117 VanDerWaalsContact O-CA 3.27Å; V84-D117 WeakPolarHBondContact O-CA 3.45Å; I85-D117 WeakPolarHBondContact CA-OD1 3.06Å; I85-D117 HydrophobicContact CD1-CB 4.39Å; G86-D117 PolarHBondContact N-OD1 3.05Å; D117-K366 WeakPolarHBondContact OD2-CE 3.07Å; D117-K366 IonicContact OD2-NZ 3.72Å
118	V	98.9	Very high	98.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	148.5	-177.4	63.8	0	0	0	0	110.6	Q83 V84 P116 M120 F359 L363	Q83-V118 CarbonylContact C-O 3.58Å; Q83-V118 WeakPolarHBondContact CA-O 3.16Å; V84-V118 HydrophobicContact CB-CG1 3.87Å; V84-V118 HydrophobicContact CG2-CG1 4.09Å; V84-V118 PolarHBondContact N-O 3.34Å; V84-V118 PolarHBondContact O-N 2.79Å; P116-V118 PolarHBondContact O-N 2.97Å; V118-M120 HydrophobicContact CG1-SD 4.47Å; V118-F359 HydrophobicContact CG2-CD1 3.78Å; V118-F359 HydrophobicContact CG2-CE1 4.22Å; V118-L363 HydrophobicContact CG2-CD1 4.05Å
119	E	98.8	Very high	98.5	Very high	10 Å²	10	38 Å²	38	5%	0.047	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.9	166.5	68.8	-173.9	108.5	0	0	111.2	M70 H81 Y82 Q83 F359 Y365 P367	M70-E119 HydrophobicContact CE-CG 4.41Å; M70-E119 VanDerWaalsContact CE-O 3.28Å; M70-E119 WeakPolarHBondContact CE-O 3.42Å; M70-E119 HydrophobicContact CG-CG 4.01Å; H81-E119 IonicContact CE1-OE2 3.09Å; H81-E119 PolarHBondContact CE1-OE2 2.95Å; H81-E119 IonicContact NE2-OE2 3.81Å; H81-E119 PolarHBondContact NE2-OE2 3.31Å; H81-E119 VanDerWaalsContact NE2-OE2 3.09Å; Y82-E119 VanDerWaalsContact O-CA 3.31Å; Y82-E119 WeakPolarHBondContact O-CA 3.28Å; Q83-E119 HydrophobicContact CB-CB 4.27Å; Q83-E119 HydrophobicContact CG-CB 3.81Å; Q83-E119 PolarHBondContact NE2-OE2 3.43Å; Q83-E119 VanDerWaalsContact NE2-OE2 3.14Å; E119-F359 WeakPolarHBondContact O-CE1 3.27Å; E119-Y365 VanDerWaalsContact CD-OH 3.3Å; E119-Y365 VanDerWaalsContact CG-OH 3.31Å; E119-Y365 WeakPolarHBondContact CG-OH 3.09Å; E119-Y365 VanDerWaalsContact OE1-CE2 3.26Å; E119-Y365 WeakPolarHBondContact OE1-CE2 3.5Å; E119-Y365 PolarHBondContact OE1-OH 3.04Å; E119-P367 HydrophobicContact CB-CB 4.27Å; E119-P367 HydrophobicContact CG-CB 4.12Å; E119-P367 HydrophobicContact CG-CG 4.19Å; E119-P367 WeakPolarHBondContact OE1-CA 3.28Å; E119-P367 WeakPolarHBondContact OE1-CB 3.4Å
120	M	98.8	Very high	98.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	151.3	-172.4	65.8	-74.8	-170.4	0	0	112.6	H81 Y82 I108 V118 V122 F141 L356 F359	H81-M120 PolarHBondContact CD2-O 2.97Å; Y82-M120 HydrophobicContact CG-CE 4.28Å; Y82-M120 PolarHBondContact N-O 3.42Å; Y82-M120 PolarHBondContact O-N 3.3Å; I108-M120 HydrophobicContact CD1-CE 3.66Å; V118-M120 HydrophobicContact CG1-SD 4.47Å; M120-V122 HydrophobicContact CG-CG2 3.97Å; M120-F141 HydrophobicContact CB-CD2 4.34Å; M120-F141 HydrophobicContact CB-CE2 3.94Å; M120-F141 HydrophobicContact CB-CZ 4.28Å; M120-L356 HydrophobicContact CE-CD1 4.42Å; M120-L356 HydrophobicContact CE-CD2 4.02Å; M120-L356 HydrophobicContact CG-CD2 4.29Å; M120-L356 HydrophobicContact SD-CD2 4.24Å; M120-F359 HydrophobicContact CB-CE1 4Å
121	V	98.9	Very high	98.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.9	174.3	177.7	0	0	0	0	109.4	M70 T73 V74 V78 H81 F141	M70-V121 HydrophobicContact SD-CG2 4.02Å; T73-V121 HydrophobicContact CG2-CB 3.99Å; T73-V121 HydrophobicContact CG2-CG1 4.23Å; T73-V121 HydrophobicContact CG2-CG2 3.86Å; V74-V121 HydrophobicContact CG2-CG2 3.69Å; V78-V121 HydrophobicContact CG2-CG1 4.37Å; H81-V121 HydrophobicContact CB-CG2 4.48Å; V121-F141 PolarHBondContact O-N 3.43Å
122	V	98.9	Very high	98.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	108.7	-178.6	-174.2	0	0	0	0	110.4	T80 Y82 V104 M120 V124 F141 Y154	T80-V122 PolarHBondContact N-O 2.68Å; T80-V122 PolarHBondContact O-N 2.88Å; Y82-V122 HydrophobicContact CD2-CB 4.09Å; Y82-V122 HydrophobicContact CD2-CG2 3.86Å; Y82-V122 HydrophobicContact CE2-CB 4.02Å; Y82-V122 HydrophobicContact CE2-CG2 4.21Å; V104-V122 HydrophobicContact CG1-CG1 4.26Å; V104-V122 HydrophobicContact CG2-CG1 4.31Å; M120-V122 HydrophobicContact CG-CG2 3.97Å; V122-V124 HydrophobicContact CG1-CG1 4.26Å; V122-V124 PolarHBondContact O-N 3Å; V122-F141 HydrophobicContact CG1-CB 4.43Å; V122-F141 HydrophobicContact CG2-CB 4.29Å; V122-Y154 HydrophobicContact CG1-CD1 4.39Å; V122-Y154 HydrophobicContact CG1-CE1 3.72Å; V122-Y154 HydrophobicContact CG1-CE2 4.44Å
123	N	98.9	Very high	98.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	116.1	170.3	173.5	34.7	0	0	0	110.2	R125 Y127 Q129 V140 F141 S142 Y154	N123-R125 WeakPolarHBondContact OD1-CB 3.33Å; N123-R125 VanDerWaalsContact OD1-CG 3.28Å; N123-R125 WeakPolarHBondContact OD1-CG 3.22Å; N123-R125 PolarHBondContact OD1-N 2.8Å; N123-Y127 PolarHBondContact ND2-O 3.05Å; N123-Q129 HydrophobicContact CB-CG 4.09Å; N123-Q129 WeakPolarHBondContact ND2-CG 3.45Å; N123-V140 HydrophobicContact CB-CG1 3.81Å; N123-F141 WeakPolarHBondContact CA-O 3.44Å; N123-F141 WeakPolarHBondContact CB-O 3.43Å; N123-F141 PolarHBondContact N-O 3.33Å; N123-S142 WeakPolarHBondContact CB-OG 3.35Å; N123-S142 PolarHBondContact ND2-OG 2.84Å; N123-Y154 WeakPolarHBondContact O-CE1 3.02Å; N123-Y154 PolarHBondContact O-OH 2.99Å
124	V	98.6	Very high	98.1	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.024	19%	0.187	C	C	.	.			trans	-101.4	11	175	-63.6	0	0	0	0	113	F97 R100 V104 V122 W157	F97-V124 HydrophobicContact CB-CG2 4.36Å; F97-V124 HydrophobicContact CD2-CG2 4.33Å; R100-V124 HydrophobicContact CB-CB 3.93Å; R100-V124 HydrophobicContact CB-CG1 4.32Å; R100-V124 WeakPolarHBondContact CD-O 3.32Å; R100-V124 PolarHBondContact NH1-O 2.9Å; V104-V124 HydrophobicContact CG2-CG1 4.24Å; V122-V124 HydrophobicContact CG1-CG1 4.26Å; V122-V124 PolarHBondContact O-N 3Å; V124-W157 HydrophobicContact CB-CE3 4.27Å; V124-W157 HydrophobicContact CB-CZ3 4.17Å; V124-W157 HydrophobicContact CG1-CE3 4.32Å; V124-W157 WeakPolarHBondContact O-CH2 3.25Å
125	R	98.6	Very high	97.8	Very high	96 Å²	96	42.2 Å²	42.2	36%	0.362	20%	0.195	S	C	.	.	S	Bend	trans	-80.6	170.7	170.7	-54.5	170.2	-179.9	-97.6	4.7	110	M96 F97 N123	M96-R125 PolarHBondContact SD-NH1 2.76Å; F97-R125 HydrophobicContact CE2-CG 4.19Å; N123-R125 WeakPolarHBondContact OD1-CB 3.33Å; N123-R125 VanDerWaalsContact OD1-CG 3.28Å; N123-R125 WeakPolarHBondContact OD1-CG 3.22Å; N123-R125 PolarHBondContact OD1-N 2.8Å
126	D	98.1	Very high	97.5	Very high	57 Å²	57	45.7 Å²	45.7	31%	0.305	22%	0.218	S	C	.	.	S	Bend	trans	-73.4	-33.5	-179.3	-70.8	8.6	0	0	0	113.1	R100 F143 V267 A268	R100-D126 IonicContact CZ-OD1 2.79Å; R100-D126 IonicContact NH1-OD1 3.38Å; R100-D126 PolarHBondContact NH1-OD1 3.33Å; R100-D126 IonicContact NH2-OD1 3.06Å; R100-D126 PolarHBondContact NH2-OD1 2.94Å; D126-F143 VanDerWaalsContact O-CE1 3.29Å; D126-F143 WeakPolarHBondContact O-CE1 3.26Å; D126-V267 HydrophobicContact CB-CB 4.02Å; D126-V267 HydrophobicContact CB-CG1 3.63Å; D126-A268 WeakPolarHBondContact O-CB 3.16Å
127	Y	98.5	Very high	97.5	Very high	98 Å²	98	45.1 Å²	45.1	38%	0.384	21%	0.211	S	C	.	.	S	Bend	trans	-103.3	142.1	-169.8	-147.7	-102.1	0	0	0	111.8	N123 Q129 Y149 V267 W290	N123-Y127 PolarHBondContact ND2-O 3.05Å; Y127-Q129 PolarHBondContact O-NE2 3.21Å; Y127-Y149 HydrophobicContact CE1-CE1 4.42Å; Y127-Y149 AromaticContact CE1-CZ 3.9Å; Y127-Y149 VanDerWaalsContact CE1-OH 3.23Å; Y127-Y149 WeakPolarHBondContact CE1-OH 3.42Å; Y127-V267 HydrophobicContact CD2-CG1 3.99Å; Y127-W290 AromaticContact CD2-CH2 3.74Å; Y127-W290 HydrophobicContact CD2-CH2 3.74Å; Y127-W290 HydrophobicContact CD2-CZ2 4.4Å; Y127-W290 HydrophobicContact CE1-CH2 4.46Å; Y127-W290 AromaticContact CE2-CH2 3.25Å; Y127-W290 HydrophobicContact CE2-CH2 3.25Å; Y127-W290 AromaticContact CE2-CZ2 3.55Å; Y127-W290 HydrophobicContact CE2-CZ2 3.55Å; Y127-W290 HydrophobicContact CE2-CZ3 4.39Å; Y127-W290 AromaticContact CZ-CH2 3.66Å; Y127-W290 AromaticContact CZ-CZ2 3.95Å
128	P	98.6	Very high	97.4	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.032	20%	0.201	C	C	.	.			trans	-64.4	163.6	175.4	28.7	-37.4	0	0	0	112.3	K145 Y149 D151 W290	P128-K145 HydrophobicContact CB-CB 4.26Å; P128-K145 HydrophobicContact CG-CB 4.48Å; P128-Y149 HydrophobicContact CB-CD1 3.52Å; P128-Y149 HydrophobicContact CB-CD2 4.42Å; P128-Y149 HydrophobicContact CB-CE1 4.04Å; P128-Y149 HydrophobicContact CB-CG 3.76Å; P128-Y149 HydrophobicContact CG-CD1 3.5Å; P128-Y149 HydrophobicContact CG-CD2 3.77Å; P128-Y149 HydrophobicContact CG-CE1 3.61Å; P128-Y149 HydrophobicContact CG-CE2 3.9Å; P128-Y149 HydrophobicContact CG-CG 3.6Å; P128-D151 HydrophobicContact CB-CB 4.32Å; P128-D151 WeakPolarHBondContact CB-OD2 3.29Å; P128-W290 HydrophobicContact CG-CH2 4.21Å; P128-W290 HydrophobicContact CG-CZ3 4.08Å
129	Q	98.5	Very high	97.4	Very high	55 Å²	55	43.2 Å²	43.2	26%	0.257	20%	0.201	S	C	.	.			trans	-122.2	-15.2	-165.6	-59.1	-64.5	-56.8	0	0	114.6	V78 N123 Y127 P131 V140 D151	V78-Q129 HydrophobicContact CB-CB 3.98Å; V78-Q129 HydrophobicContact CB-CG 4.09Å; V78-Q129 HydrophobicContact CG1-CB 4.31Å; V78-Q129 WeakPolarHBondContact O-CG 3.41Å; N123-Q129 HydrophobicContact CB-CG 4.09Å; N123-Q129 WeakPolarHBondContact ND2-CG 3.45Å; Y127-Q129 PolarHBondContact O-NE2 3.21Å; Q129-P131 VanDerWaalsContact C-CD 3.46Å; Q129-P131 VanDerWaalsContact O-CD 3.24Å; Q129-P131 WeakPolarHBondContact O-CD 3.37Å; Q129-V140 HydrophobicContact CB-CG1 4.15Å; Q129-V140 HydrophobicContact CG-CG1 4.28Å; Q129-D151 PolarHBondContact N-OD1 3.36Å; Q129-D151 PolarHBondContact N-OD2 3.12Å
130	V	98.4	Very high	97.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.199	C	C	.	.			trans	-121.4	78.4	-171	-165.7	0	0	0	0	110.3	V134 I137 L138 V140 Y149 Q150 D151	V130-V134 HydrophobicContact CG1-CB 4.31Å; V130-V134 HydrophobicContact CG1-CG1 4.43Å; V130-I137 HydrophobicContact CG1-CG2 4.23Å; V130-L138 HydrophobicContact CG1-CB 4.36Å; V130-L138 HydrophobicContact CG2-CB 4.15Å; V130-V140 HydrophobicContact CG2-CB 3.69Å; V130-V140 HydrophobicContact CG2-CG2 3.55Å; V130-Y149 CarbonylContact O-C 3.56Å; V130-Y149 VanDerWaalsContact O-CA 3.32Å; V130-Y149 WeakPolarHBondContact O-CA 3.47Å; V130-Q150 HydrophobicContact CB-CB 4.32Å; V130-Q150 HydrophobicContact CG1-CB 3.96Å; V130-Q150 PolarHBondContact O-N 3.23Å; V130-D151 PolarHBondContact N-OD2 2.81Å
131	P	98.1	Very high	97.4	Very high	22 Å²	22	42.7 Å²	42.7	14%	0.143	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-56.3	152.2	171.5	-23.8	32.1	0	0	0	112.6	Q129 W133 V134 D148 Y149	Q129-P131 VanDerWaalsContact C-CD 3.46Å; Q129-P131 VanDerWaalsContact O-CD 3.24Å; Q129-P131 WeakPolarHBondContact O-CD 3.37Å; P131-W133 HydrophobicContact CB-CD2 4.22Å; P131-W133 HydrophobicContact CB-CG 4.24Å; P131-W133 HydrophobicContact CB-CZ2 4.1Å; P131-W133 HydrophobicContact CG-CZ2 3.92Å; P131-W133 PolarHBondContact O-N 3.31Å; P131-V134 HydrophobicContact CB-CG2 4.48Å; P131-V134 HydrophobicContact CG-CG2 4.48Å; P131-V134 WeakPolarHBondContact O-CB 3.16Å; P131-V134 PolarHBondContact O-N 3.12Å; P131-D148 CarbonylContact C-O 3.47Å; P131-D148 WeakPolarHBondContact CA-O 3.03Å; P131-Y149 HydrophobicContact CB-CE1 4.36Å; P131-Y149 HydrophobicContact CG-CD1 4.23Å; P131-Y149 HydrophobicContact CG-CE1 3.8Å
132	N	96.6	Very high	97.4	Very high	63 Å²	63	42.7 Å²	42.7	34%	0.337	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-22.4	-177.1	-73.4	-12.1	0	0	0	115.4	P147 D148 Y149 Q150	N132-P147 PolarHBondContact ND2-O 3.14Å; N132-D148 PolarHBondContact N-O 3.1Å; N132-D148 VanDerWaalsContact ND2-CA 3.33Å; N132-D148 WeakPolarHBondContact ND2-CA 3.31Å; N132-D148 VanDerWaalsContact OD1-C 3.27Å; N132-D148 PolarHBondContact OD1-O 3.3Å; N132-Y149 PolarHBondContact OD1-N 2.91Å; N132-Q150 WeakPolarHBondContact OD1-CG 3.29Å; N132-Q150 PolarHBondContact OD1-NE2 2.88Å
133	W	95.2	Very high	97.4	Very high	210 Å²	210	43 Å²	43	80%	0.795	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.5	179.5	55	-100.4	0	0	0	114	P131 Q135	P131-W133 HydrophobicContact CB-CD2 4.22Å; P131-W133 HydrophobicContact CB-CG 4.24Å; P131-W133 HydrophobicContact CB-CZ2 4.1Å; P131-W133 HydrophobicContact CG-CZ2 3.92Å; P131-W133 PolarHBondContact O-N 3.31Å; W133-Q135 PolarHBondContact O-N 2.81Å
134	V	93.9	Very high	97.4	Very high	25 Å²	25	42.9 Å²	42.9	15%	0.152	20%	0.2	C	C	.	.			trans	-72.7	127	178.7	174.3	0	0	0	0	110.4	V130 P131 L138	V130-V134 HydrophobicContact CG1-CB 4.31Å; V130-V134 HydrophobicContact CG1-CG1 4.43Å; P131-V134 HydrophobicContact CB-CG2 4.48Å; P131-V134 HydrophobicContact CG-CG2 4.48Å; P131-V134 WeakPolarHBondContact O-CB 3.16Å; P131-V134 PolarHBondContact O-N 3.12Å; V134-L138 HydrophobicContact CG1-CD1 4.25Å; V134-L138 HydrophobicContact CG1-CG 4.19Å
135	Q	91.4	Very high	97.4	Very high	140 Å²	140	43.4 Å²	43.4	65%	0.654	20%	0.202	S	C	*	.	S	Bend	trans	-134.3	138.9	175.5	-66.7	-63.5	-24.4	0	0	111	W133	W133-Q135 PolarHBondContact O-N 2.81Å
136	P	93.1	Very high	97.4	Very high	75 Å²	75	39.3 Å²	39.3	49%	0.487	19%	0.187	S	C	.	.	S	Bend	cis	-61.8	156.5	-12.1	30.4	-36.1	0	0	0	111.3	V69 L138	V69-P136 HydrophobicContact CG2-CG 4.39Å; P136-L138 PolarHBondContact O-N 2.69Å
137	I	97.1	Very high	97.4	Very high	37 Å²	37	41.4 Å²	41.4	19%	0.19	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-63.5	127.9	178.3	-50.8	179.6	0	0	0	108.8	P60 F61 V130 Q150	P60-I137 HydrophobicContact CB-CD1 3.73Å; F61-I137 HydrophobicContact CE1-CB 4.09Å; F61-I137 HydrophobicContact CE1-CG2 3.58Å; F61-I137 HydrophobicContact CZ-CG2 3.56Å; V130-I137 HydrophobicContact CG1-CG2 4.23Å; I137-Q150 HydrophobicContact CG2-CB 3.71Å; I137-Q150 HydrophobicContact CG2-CG 4.14Å
138	L	98.1	Very high	97.4	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.042	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-92.9	128.3	-178.8	-54.7	177.7	0	0	0	109.9	T72 T73 K76 V130 V134 P136 V140	T72-L138 HydrophobicContact CG2-CD2 4.36Å; T73-L138 HydrophobicContact CG2-CB 4.11Å; K76-L138 HydrophobicContact CD-CD1 3.42Å; K76-L138 VanDerWaalsContact CD-CD1 3.42Å; V130-L138 HydrophobicContact CG1-CB 4.36Å; V130-L138 HydrophobicContact CG2-CB 4.15Å; V134-L138 HydrophobicContact CG1-CD1 4.25Å; V134-L138 HydrophobicContact CG1-CG 4.19Å; P136-L138 PolarHBondContact O-N 2.69Å; L138-V140 HydrophobicContact CB-CG2 4.17Å; L138-V140 PolarHBondContact O-N 2.55Å
139	P	98.3	Very high	97.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.			trans	-76.7	86.5	178.4	31.6	-37.7	0	0	0	111.3	F61 I65 M70 T73 F359	F61-P139 HydrophobicContact CD1-CB 4.26Å; F61-P139 HydrophobicContact CE1-CB 3.84Å; F61-P139 HydrophobicContact CZ-CB 4.21Å; I65-P139 HydrophobicContact CD1-CB 3.79Å; I65-P139 HydrophobicContact CD1-CG 4.18Å; I65-P139 HydrophobicContact CG2-CG 3.87Å; M70-P139 HydrophobicContact CE-CG 3.94Å; T73-P139 WeakPolarHBondContact OG1-CD 3.22Å; P139-F359 HydrophobicContact CB-CE2 3.82Å; P139-F359 HydrophobicContact CB-CZ 3.84Å
140	V	98.9	Very high	97.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.5	178.4	-175.5	0	0	0	0	110	T73 V78 N123 Q129 V130 L138 D151 I152	T73-V140 HydrophobicContact CG2-CG2 3.63Å; V78-V140 HydrophobicContact CB-CG2 4.49Å; V78-V140 HydrophobicContact CG2-CG1 4.5Å; V78-V140 HydrophobicContact CG2-CG2 3.57Å; N123-V140 HydrophobicContact CB-CG1 3.81Å; Q129-V140 HydrophobicContact CB-CG1 4.15Å; Q129-V140 HydrophobicContact CG-CG1 4.28Å; V130-V140 HydrophobicContact CG2-CB 3.69Å; V130-V140 HydrophobicContact CG2-CG2 3.55Å; L138-V140 HydrophobicContact CB-CG2 4.17Å; L138-V140 PolarHBondContact O-N 2.55Å; V140-D151 CarbonylContact O-C 3.58Å; V140-D151 WeakPolarHBondContact O-CA 3.44Å; V140-I152 PolarHBondContact O-N 2.89Å
141	F	98.9	Very high	97.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	122.7	177.2	-71.5	-127.9	0	0	0	108.6	M120 V121 V122 N123 I152 Y154 L355 L356 F359	M120-F141 HydrophobicContact CB-CD2 4.34Å; M120-F141 HydrophobicContact CB-CE2 3.94Å; M120-F141 HydrophobicContact CB-CZ 4.28Å; V121-F141 PolarHBondContact O-N 3.43Å; V122-F141 HydrophobicContact CG1-CB 4.43Å; V122-F141 HydrophobicContact CG2-CB 4.29Å; N123-F141 WeakPolarHBondContact CA-O 3.44Å; N123-F141 WeakPolarHBondContact CB-O 3.43Å; N123-F141 PolarHBondContact N-O 3.33Å; F141-I152 CarbonylContact C-O 3.21Å; F141-I152 VanDerWaalsContact CA-O 3.25Å; F141-I152 WeakPolarHBondContact CA-O 3.37Å; F141-I152 HydrophobicContact CD1-CG2 4.39Å; F141-I152 HydrophobicContact CD2-CB 4.41Å; F141-I152 HydrophobicContact CD2-CD1 4.21Å; F141-I152 HydrophobicContact CE1-CG2 4.34Å; F141-I152 HydrophobicContact CE2-CD1 3.83Å; F141-I152 HydrophobicContact CG-CB 4.38Å; F141-I152 HydrophobicContact CZ-CD1 4.31Å; F141-Y154 HydrophobicContact CB-CD1 3.78Å; F141-Y154 HydrophobicContact CB-CE1 4.25Å; F141-Y154 WeakPolarHBondContact O-CE1 3Å; F141-L355 HydrophobicContact CD1-CD2 3.83Å; F141-L355 HydrophobicContact CD1-CG 4.41Å; F141-L355 HydrophobicContact CE1-CD1 3.91Å; F141-L355 HydrophobicContact CE1-CD2 3.58Å; F141-L355 HydrophobicContact CE1-CG 3.67Å; F141-L355 HydrophobicContact CZ-CD1 4.47Å; F141-L356 HydrophobicContact CE1-CD2 4.16Å; F141-L356 HydrophobicContact CZ-CD2 4.5Å; F141-F359 HydrophobicContact CE2-CD1 4.16Å; F141-F359 AromaticContact CE2-CD2 3.82Å; F141-F359 HydrophobicContact CE2-CD2 3.82Å; F141-F359 HydrophobicContact CE2-CE1 4Å; F141-F359 AromaticContact CE2-CE2 3.64Å; F141-F359 HydrophobicContact CE2-CE2 3.64Å; F141-F359 HydrophobicContact CE2-CG 4.08Å; F141-F359 AromaticContact CE2-CZ 3.75Å; F141-F359 HydrophobicContact CE2-CZ 3.75Å; F141-F359 HydrophobicContact CZ-CB 4.12Å; F141-F359 AromaticContact CZ-CD1 3.84Å; F141-F359 HydrophobicContact CZ-CD1 3.84Å; F141-F359 AromaticContact CZ-CD2 3.68Å; F141-F359 HydrophobicContact CZ-CD2 3.68Å; F141-F359 HydrophobicContact CZ-CE1 4.16Å; F141-F359 HydrophobicContact CZ-CE2 4.01Å; F141-F359 AromaticContact CZ-CG 3.59Å; F141-F359 HydrophobicContact CZ-CG 3.59Å; F141-F359 HydrophobicContact CZ-CZ 4.25Å
142	S	98.9	Very high	97.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.1	176.6	-70.2	0	0	0	0	110.1	N123 S144 D151 I152 M153 Y154	N123-S142 WeakPolarHBondContact CB-OG 3.35Å; N123-S142 PolarHBondContact ND2-OG 2.84Å; S142-S144 PolarHBondContact O-N 3.04Å; S142-D151 VanDerWaalsContact CB-OD1 3.31Å; S142-D151 WeakPolarHBondContact CB-OD1 3.24Å; S142-D151 PolarHBondContact OG-OD1 3.41Å; S142-I152 PolarHBondContact N-O 2.99Å; S142-M153 VanDerWaalsContact O-CA 3.3Å; S142-M153 WeakPolarHBondContact O-CA 3.49Å; S142-Y154 VanDerWaalsContact C-CD1 3.44Å; S142-Y154 VanDerWaalsContact C-CE1 3.42Å
143	F	98.9	Very high	97.6	Very high	5 Å²	5	38.8 Å²	38.8	2%	0.022	19%	0.193	C	C	.	.	S	Bend	trans	-67.9	-25.4	-174.8	91.3	-82.4	0	0	0	113.3	D126 Y154 A156 W157 A268 A269 F271 E292	D126-F143 VanDerWaalsContact O-CE1 3.29Å; D126-F143 WeakPolarHBondContact O-CE1 3.26Å; F143-Y154 HydrophobicContact CB-CE1 4.34Å; F143-Y154 HydrophobicContact CB-CE2 4.27Å; F143-Y154 VanDerWaalsContact N-CE1 3.33Å; F143-A156 HydrophobicContact CB-CB 3.83Å; F143-A156 HydrophobicContact CD2-CB 3.89Å; F143-A156 HydrophobicContact CG-CB 4.11Å; F143-W157 HydrophobicContact CB-CZ3 4.21Å; F143-W157 AromaticContact CD1-CH2 3.58Å; F143-W157 HydrophobicContact CD1-CH2 3.58Å; F143-W157 HydrophobicContact CD1-CZ2 4.34Å; F143-W157 HydrophobicContact CD1-CZ3 4.05Å; F143-W157 HydrophobicContact CE1-CH2 4.09Å; F143-W157 HydrophobicContact CG-CH2 4.19Å; F143-W157 HydrophobicContact CG-CZ3 4.37Å; F143-A268 HydrophobicContact CE1-CB 4.32Å; F143-A268 HydrophobicContact CZ-CB 4.07Å; F143-A269 HydrophobicContact CE2-CB 4.5Å; F143-F271 AromaticContact CD2-CE1 3.64Å; F143-F271 HydrophobicContact CD2-CE1 3.64Å; F143-F271 HydrophobicContact CD2-CZ 4.34Å; F143-F271 HydrophobicContact CE2-CD1 4.13Å; F143-F271 AromaticContact CE2-CE1 3.37Å; F143-F271 HydrophobicContact CE2-CE1 3.37Å; F143-F271 HydrophobicContact CE2-CZ 4.05Å; F143-F271 HydrophobicContact CG-CE1 4.46Å; F143-F271 HydrophobicContact CZ-CE1 4.02Å; F143-F271 HydrophobicContact CZ-CZ 4.28Å; F143-E292 HydrophobicContact CD2-CG 4.13Å; F143-E292 HydrophobicContact CE2-CG 4.16Å
144	S	98.9	Very high	97.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.9	-175.3	-178	0	0	0	0	111.8	S142 A269 Q291	S142-S144 PolarHBondContact O-N 3.04Å; S144-A269 WeakPolarHBondContact OG-CB 3.46Å; S144-A269 PolarHBondContact OG-N 3.35Å; S144-A269 VanDerWaalsContact OG-N 3.09Å; S144-Q291 WeakPolarHBondContact CA-O 3.5Å; S144-Q291 WeakPolarHBondContact CB-O 3.36Å; S144-Q291 PolarHBondContact OG-O 2.89Å
145	K	98.8	Very high	98	Very high	15 Å²	15	27.6 Å²	27.6	7%	0.065	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	174.4	176.7	71	178.2	-179.4	174.1	0	112.3	D57 P128 D151 M153 Q291	D57-K145 VanDerWaalsContact OD1-CE 3.29Å; D57-K145 WeakPolarHBondContact OD1-CE 3.46Å; D57-K145 IonicContact OD1-NZ 2.97Å; D57-K145 PolarHBondContact OD1-NZ 2.75Å; D57-K145 WeakPolarHBondContact OD2-CE 3.32Å; D57-K145 IonicContact OD2-NZ 3.98Å; D57-K145 PolarHBondContact OD2-NZ 3.26Å; P128-K145 HydrophobicContact CB-CB 4.26Å; P128-K145 HydrophobicContact CG-CB 4.48Å; K145-D151 HydrophobicContact CD-CB 4.43Å; K145-D151 WeakPolarHBondContact CD-O 3.45Å; K145-D151 VanDerWaalsContact CE-O 3.31Å; K145-D151 WeakPolarHBondContact CE-O 3.32Å; K145-D151 PolarHBondContact NZ-O 2.97Å; K145-M153 HydrophobicContact CD-CG 4.08Å; K145-M153 HydrophobicContact CG-CE 4.5Å; K145-M153 HydrophobicContact CG-CG 3.9Å; K145-M153 HydrophobicContact CG-SD 3.96Å; K145-Q291 PolarHBondContact N-O 3Å; K145-Q291 PolarHBondContact O-N 2.86Å
146	T	98.7	Very high	98.3	Very high	9 Å²	9	21 Å²	21	6%	0.055	12%	0.117	C	C	.	.			trans	-113.2	174.4	164.7	74.5	0	0	0	0	109.4	D148 Y149 E289 W290	T146-D148 PolarHBondContact O-N 3.22Å; T146-D148 PolarHBondContact OG1-N 3.05Å; T146-Y149 PolarHBondContact O-N 3.12Å; T146-Y149 WeakPolarHBondContact OG1-CD2 3.35Å; T146-E289 WeakPolarHBondContact CA-O 3.26Å; T146-E289 HydrophobicContact CG2-CB 4.1Å; T146-W290 HydrophobicContact CG2-CD2 3.62Å; T146-W290 HydrophobicContact CG2-CE3 3.88Å; T146-W290 HydrophobicContact CG2-CG 4.05Å; T146-W290 HydrophobicContact CG2-CH2 4.15Å; T146-W290 HydrophobicContact CG2-CZ2 3.89Å; T146-W290 HydrophobicContact CG2-CZ3 4.15Å
147	P	97.8	Very high	98.6	Very high	102 Å²	102	17.4 Å²	17.4	66%	0.662	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-13.8	171.9	-26.4	37	0	0	0	115	N132 Y149	N132-P147 PolarHBondContact ND2-O 3.14Å; P147-Y149 PolarHBondContact O-N 2.86Å
148	D	98.3	Very high	98.7	Very high	99 Å²	99	15.8 Å²	15.8	53%	0.529	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	1.1	179	-60	-44	0	0	0	114	P131 N132 T146	P131-D148 CarbonylContact C-O 3.47Å; P131-D148 WeakPolarHBondContact CA-O 3.03Å; N132-D148 PolarHBondContact N-O 3.1Å; N132-D148 VanDerWaalsContact ND2-CA 3.33Å; N132-D148 WeakPolarHBondContact ND2-CA 3.31Å; N132-D148 VanDerWaalsContact OD1-C 3.27Å; N132-D148 PolarHBondContact OD1-O 3.3Å; T146-D148 PolarHBondContact O-N 3.22Å; T146-D148 PolarHBondContact OG1-N 3.05Å
149	Y	98.6	Very high	98.7	Very high	37 Å²	37	15.4 Å²	15.4	15%	0.145	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-128.5	145.6	-176.7	-65.1	-97.2	0	0	0	112.6	Y127 P128 V130 P131 N132 T146 P147	Y127-Y149 HydrophobicContact CE1-CE1 4.42Å; Y127-Y149 AromaticContact CE1-CZ 3.9Å; Y127-Y149 VanDerWaalsContact CE1-OH 3.23Å; Y127-Y149 WeakPolarHBondContact CE1-OH 3.42Å; P128-Y149 HydrophobicContact CB-CD1 3.52Å; P128-Y149 HydrophobicContact CB-CD2 4.42Å; P128-Y149 HydrophobicContact CB-CE1 4.04Å; P128-Y149 HydrophobicContact CB-CG 3.76Å; P128-Y149 HydrophobicContact CG-CD1 3.5Å; P128-Y149 HydrophobicContact CG-CD2 3.77Å; P128-Y149 HydrophobicContact CG-CE1 3.61Å; P128-Y149 HydrophobicContact CG-CE2 3.9Å; P128-Y149 HydrophobicContact CG-CG 3.6Å; V130-Y149 CarbonylContact O-C 3.56Å; V130-Y149 VanDerWaalsContact O-CA 3.32Å; V130-Y149 WeakPolarHBondContact O-CA 3.47Å; P131-Y149 HydrophobicContact CB-CE1 4.36Å; P131-Y149 HydrophobicContact CG-CD1 4.23Å; P131-Y149 HydrophobicContact CG-CE1 3.8Å; N132-Y149 PolarHBondContact OD1-N 2.91Å; T146-Y149 PolarHBondContact O-N 3.12Å; T146-Y149 WeakPolarHBondContact OG1-CD2 3.35Å; P147-Y149 PolarHBondContact O-N 2.86Å
150	Q	98.3	Very high	98.7	Very high	46 Å²	46	17.5 Å²	17.5	22%	0.215	9%	0.091	C	C	.	.			trans	-98	3.5	179.1	-59.5	-68.2	-30.5	0	0	112.8	V130 N132 I137	V130-Q150 HydrophobicContact CB-CB 4.32Å; V130-Q150 HydrophobicContact CG1-CB 3.96Å; V130-Q150 PolarHBondContact O-N 3.23Å; N132-Q150 WeakPolarHBondContact OD1-CG 3.29Å; N132-Q150 PolarHBondContact OD1-NE2 2.88Å; I137-Q150 HydrophobicContact CG2-CB 3.71Å; I137-Q150 HydrophobicContact CG2-CG 4.14Å
151	D	98.8	Very high	98.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-55	146.5	175.3	-66.2	-119.1	0	0	0	111.3	P128 Q129 V130 V140 S142 K145	P128-D151 HydrophobicContact CB-CB 4.32Å; P128-D151 WeakPolarHBondContact CB-OD2 3.29Å; Q129-D151 PolarHBondContact N-OD1 3.36Å; Q129-D151 PolarHBondContact N-OD2 3.12Å; V130-D151 PolarHBondContact N-OD2 2.81Å; V140-D151 CarbonylContact O-C 3.58Å; V140-D151 WeakPolarHBondContact O-CA 3.44Å; S142-D151 VanDerWaalsContact CB-OD1 3.31Å; S142-D151 WeakPolarHBondContact CB-OD1 3.24Å; S142-D151 PolarHBondContact OG-OD1 3.41Å; K145-D151 HydrophobicContact CD-CB 4.43Å; K145-D151 WeakPolarHBondContact CD-O 3.45Å; K145-D151 VanDerWaalsContact CE-O 3.31Å; K145-D151 WeakPolarHBondContact CE-O 3.32Å; K145-D151 PolarHBondContact NZ-O 2.97Å
152	I	98.9	Very high	98.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	120.8	177.4	-59.3	160.5	0	0	0	108.4	D57 L58 F61 V140 F141 S142 L355 F359	D57-I152 HydrophobicContact CB-CG2 4.18Å; L58-I152 HydrophobicContact CD2-CD1 3.84Å; L58-I152 HydrophobicContact CD2-CG1 4.21Å; L58-I152 HydrophobicContact CD2-CG2 4Å; F61-I152 HydrophobicContact CD2-CD1 4.1Å; F61-I152 HydrophobicContact CD2-CG1 4.44Å; F61-I152 HydrophobicContact CE2-CD1 3.68Å; F61-I152 HydrophobicContact CE2-CG1 3.77Å; F61-I152 HydrophobicContact CZ-CD1 4.28Å; V140-I152 PolarHBondContact O-N 2.89Å; F141-I152 CarbonylContact C-O 3.21Å; F141-I152 VanDerWaalsContact CA-O 3.25Å; F141-I152 WeakPolarHBondContact CA-O 3.37Å; F141-I152 HydrophobicContact CD1-CG2 4.39Å; F141-I152 HydrophobicContact CD2-CB 4.41Å; F141-I152 HydrophobicContact CD2-CD1 4.21Å; F141-I152 HydrophobicContact CE1-CG2 4.34Å; F141-I152 HydrophobicContact CE2-CD1 3.83Å; F141-I152 HydrophobicContact CG-CB 4.38Å; F141-I152 HydrophobicContact CZ-CD1 4.31Å; S142-I152 PolarHBondContact N-O 2.99Å; I152-L355 HydrophobicContact CG2-CD1 3.64Å; I152-F359 HydrophobicContact CD1-CD2 3.9Å; I152-F359 HydrophobicContact CD1-CE2 3.75Å
153	M	98.9	Very high	98.5	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.03	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.2	-179.1	-74	-171.3	-69.5	0	0	112.5	V53 D57 S142 K145 Q291 F293	V53-M153 HydrophobicContact CG1-CE 3.41Å; V53-M153 VanDerWaalsContact CG1-CE 3.41Å; D57-M153 WeakPolarHBondContact OD2-CB 3.13Å; D57-M153 PolarHBondContact OD2-N 3.48Å; S142-M153 VanDerWaalsContact O-CA 3.3Å; S142-M153 WeakPolarHBondContact O-CA 3.49Å; K145-M153 HydrophobicContact CD-CG 4.08Å; K145-M153 HydrophobicContact CG-CE 4.5Å; K145-M153 HydrophobicContact CG-CG 3.9Å; K145-M153 HydrophobicContact CG-SD 3.96Å; M153-Q291 HydrophobicContact CE-CB 4.29Å; M153-Q291 HydrophobicContact SD-CB 3.92Å; M153-F293 HydrophobicContact CB-CB 4.11Å
154	Y	98.9	Very high	98.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.			trans	-126.6	155.7	173	72.5	-95.5	0	0	0	111.9	V104 V122 N123 F141 S142 F143 A156 W157 W352	V104-Y154 HydrophobicContact CG2-CE2 3.77Å; V122-Y154 HydrophobicContact CG1-CD1 4.39Å; V122-Y154 HydrophobicContact CG1-CE1 3.72Å; V122-Y154 HydrophobicContact CG1-CE2 4.44Å; N123-Y154 WeakPolarHBondContact O-CE1 3.02Å; N123-Y154 PolarHBondContact O-OH 2.99Å; F141-Y154 HydrophobicContact CB-CD1 3.78Å; F141-Y154 HydrophobicContact CB-CE1 4.25Å; F141-Y154 WeakPolarHBondContact O-CE1 3Å; S142-Y154 VanDerWaalsContact C-CD1 3.44Å; S142-Y154 VanDerWaalsContact C-CE1 3.42Å; F143-Y154 HydrophobicContact CB-CE1 4.34Å; F143-Y154 HydrophobicContact CB-CE2 4.27Å; F143-Y154 VanDerWaalsContact N-CE1 3.33Å; Y154-A156 PolarHBondContact O-N 2.96Å; Y154-A156 VanDerWaalsContact O-N 3.17Å; Y154-W157 HydrophobicContact CE2-CE3 4.2Å; Y154-W157 WeakPolarHBondContact OH-CZ3 3.39Å; Y154-W352 HydrophobicContact CD1-CH2 4.48Å; Y154-W352 AromaticContact CD2-CH2 3.36Å; Y154-W352 HydrophobicContact CD2-CH2 3.36Å; Y154-W352 AromaticContact CD2-CZ2 3.16Å; Y154-W352 HydrophobicContact CD2-CZ2 3.16Å; Y154-W352 HydrophobicContact CE2-CH2 4.09Å; Y154-W352 AromaticContact CE2-CZ2 3.89Å; Y154-W352 HydrophobicContact CE2-CZ2 3.89Å; Y154-W352 AromaticContact CG-CH2 3.57Å; Y154-W352 HydrophobicContact CG-CH2 3.57Å; Y154-W352 AromaticContact CG-CZ2 3.81Å; Y154-W352 HydrophobicContact CG-CZ2 3.81Å; Y154-W352 HydrophobicContact CG-CZ3 4.41Å
155	P	98.7	Very high	98.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.			trans	-64.5	115.3	174.3	-19.6	31.5	0	0	0	111.6	F159 F293 I348 Y351 W352	P155-F159 HydrophobicContact CB-CD2 4.01Å; P155-F159 HydrophobicContact CB-CE2 4.1Å; P155-F293 HydrophobicContact CB-CD1 4.04Å; P155-F293 HydrophobicContact CB-CE1 3.67Å; P155-F293 HydrophobicContact CB-CZ 4.2Å; P155-F293 HydrophobicContact CG-CD1 4.05Å; P155-F293 HydrophobicContact CG-CE1 3.88Å; P155-F293 HydrophobicContact CG-CE2 4.4Å; P155-F293 HydrophobicContact CG-CG 4.39Å; P155-F293 HydrophobicContact CG-CZ 4.06Å; P155-I348 HydrophobicContact CB-CG2 3.6Å; P155-I348 HydrophobicContact CG-CG2 4.23Å; P155-Y351 VanDerWaalsContact CD-CD1 3.48Å; P155-Y351 HydrophobicContact CG-CD1 3.54Å; P155-Y351 HydrophobicContact CG-CE1 4.28Å; P155-Y351 HydrophobicContact CG-CG 4.11Å; P155-W352 HydrophobicContact CG-CG 4.38Å; P155-W352 PolarHBondContact O-NE1 3.46Å
156	A	98.8	Very high	98.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.159	C	C	.	.			trans	-52.3	148	-172.7	0	0	0	0	0	114	F143 Y154 T158 F159 F271	F143-A156 HydrophobicContact CB-CB 3.83Å; F143-A156 HydrophobicContact CD2-CB 3.89Å; F143-A156 HydrophobicContact CG-CB 4.11Å; Y154-A156 PolarHBondContact O-N 2.96Å; Y154-A156 VanDerWaalsContact O-N 3.17Å; A156-T158 HydrophobicContact CB-CG2 4.07Å; A156-T158 PolarHBondContact O-N 2.91Å; A156-F159 VanDerWaalsContact O-CD2 3.27Å; A156-F159 WeakPolarHBondContact O-CD2 3.36Å; A156-F159 PolarHBondContact O-N 3.49Å; A156-F159 VanDerWaalsContact O-N 3.09Å; A156-F271 HydrophobicContact CB-CE1 3.67Å; A156-F271 HydrophobicContact CB-CZ 4.22Å
157	W	98.8	Very high	97.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-46.5	-35.6	175.2	50.3	82.3	0	0	0	114	R100 V104 V124 F143 Y154 F159 W160 E161 G162 F271	R100-W157 HydrophobicContact CB-CB 4.16Å; R100-W157 HydrophobicContact CB-CD2 3.71Å; R100-W157 HydrophobicContact CB-CE3 4.12Å; R100-W157 HydrophobicContact CB-CG 3.69Å; R100-W157 VanDerWaalsContact CD-CZ2 3.49Å; R100-W157 HydrophobicContact CG-CD2 3.79Å; R100-W157 HydrophobicContact CG-CG 3.83Å; R100-W157 HydrophobicContact CG-CZ2 4.3Å; R100-W157 VanDerWaalsContact CZ-CZ2 3.47Å; R100-W157 VanDerWaalsContact O-CB 3.24Å; R100-W157 WeakPolarHBondContact O-CB 3.39Å; V104-W157 HydrophobicContact CG2-CB 4.3Å; V124-W157 HydrophobicContact CB-CE3 4.27Å; V124-W157 HydrophobicContact CB-CZ3 4.17Å; V124-W157 HydrophobicContact CG1-CE3 4.32Å; V124-W157 WeakPolarHBondContact O-CH2 3.25Å; F143-W157 HydrophobicContact CB-CZ3 4.21Å; F143-W157 AromaticContact CD1-CH2 3.58Å; F143-W157 HydrophobicContact CD1-CH2 3.58Å; F143-W157 HydrophobicContact CD1-CZ2 4.34Å; F143-W157 HydrophobicContact CD1-CZ3 4.05Å; F143-W157 HydrophobicContact CE1-CH2 4.09Å; F143-W157 HydrophobicContact CG-CH2 4.19Å; F143-W157 HydrophobicContact CG-CZ3 4.37Å; Y154-W157 HydrophobicContact CE2-CE3 4.2Å; Y154-W157 WeakPolarHBondContact OH-CZ3 3.39Å; W157-F159 PolarHBondContact O-N 2.93Å; W157-W160 PolarHBondContact O-N 2.94Å; W157-E161 CarbonylContact C-O 3.53Å; W157-E161 PolarHBondContact O-N 2.96Å; W157-G162 VanDerWaalsContact CD1-C 3.47Å; W157-G162 VanDerWaalsContact CD1-O 3.3Å; W157-G162 PolarHBondContact NE1-O 3.3Å; W157-F271 AromaticContact CE2-CZ 3.92Å; W157-F271 HydrophobicContact CZ2-CE2 4.48Å; W157-F271 AromaticContact CZ2-CZ 3.83Å; W157-F271 HydrophobicContact CZ2-CZ 3.83Å; W157-F271 AromaticContact NE1-CZ 3.87Å
158	T	98.6	Very high	97.6	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.018	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-62.7	-11.8	-176.6	-157.7	0	0	0	0	114.4	A156 W160 E161 G163 L174 G175 F271	A156-T158 HydrophobicContact CB-CG2 4.07Å; A156-T158 PolarHBondContact O-N 2.91Å; T158-W160 PolarHBondContact O-N 3.25Å; T158-E161 PolarHBondContact N-O 2.93Å; T158-G163 WeakPolarHBondContact OG1-CA 3.44Å; T158-L174 PolarHBondContact OG1-O 2.75Å; T158-G175 WeakPolarHBondContact O-CA 3.49Å; T158-F271 HydrophobicContact CG2-CB 4.31Å; T158-F271 HydrophobicContact CG2-CD1 3.63Å; T158-F271 HydrophobicContact CG2-CD2 3.96Å; T158-F271 HydrophobicContact CG2-CE1 3.79Å; T158-F271 HydrophobicContact CG2-CE2 4.13Å; T158-F271 HydrophobicContact CG2-CG 3.71Å; T158-F271 HydrophobicContact CG2-CZ 4.05Å
159	F	98.8	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-62.7	-28.4	168	-76.9	-72.5	0	0	0	111.4	F107 P155 A156 W157 W177 K274 F293 F294 L343 I348	F107-F159 HydrophobicContact CE2-CB 3.88Å; F107-F159 HydrophobicContact CZ-CB 3.54Å; P155-F159 HydrophobicContact CB-CD2 4.01Å; P155-F159 HydrophobicContact CB-CE2 4.1Å; A156-F159 VanDerWaalsContact O-CD2 3.27Å; A156-F159 WeakPolarHBondContact O-CD2 3.36Å; A156-F159 PolarHBondContact O-N 3.49Å; A156-F159 VanDerWaalsContact O-N 3.09Å; W157-F159 PolarHBondContact O-N 2.93Å; F159-W177 HydrophobicContact CB-CB 4.41Å; F159-W177 HydrophobicContact CD1-CB 3.77Å; F159-W177 AromaticContact CD1-CD1 3.41Å; F159-W177 VanDerWaalsContact CD1-CD1 3.41Å; F159-W177 HydrophobicContact CD1-CD2 4.34Å; F159-W177 AromaticContact CD1-CG 3.57Å; F159-W177 HydrophobicContact CD1-CG 3.57Å; F159-W177 AromaticContact CD1-NE1 4Å; F159-W177 AromaticContact CE1-CD1 3.72Å; F159-W177 HydrophobicContact CE1-CD2 4.37Å; F159-W177 HydrophobicContact CE1-CG 4.02Å; F159-W177 AromaticContact CE1-NE1 3.8Å; F159-W177 VanDerWaalsContact O-CB 3.3Å; F159-W177 WeakPolarHBondContact O-CB 3.42Å; F159-W177 PolarHBondContact O-N 3.34Å; F159-K274 HydrophobicContact CD1-CD 4.46Å; F159-K274 HydrophobicContact CE1-CD 3.62Å; F159-K274 HydrophobicContact CZ-CD 3.89Å; F159-F293 AromaticContact CE2-CE1 3.83Å; F159-F293 HydrophobicContact CE2-CE1 3.83Å; F159-F293 HydrophobicContact CZ-CE1 4.07Å; F159-F294 HydrophobicContact CZ-CD1 4.49Å; F159-F294 HydrophobicContact CZ-CE1 4.33Å; F159-L343 HydrophobicContact CE1-CD1 4.48Å; F159-L343 HydrophobicContact CE1-CD2 4.25Å; F159-L343 HydrophobicContact CE1-CG 4.2Å; F159-L343 HydrophobicContact CZ-CD1 4.22Å; F159-L343 HydrophobicContact CZ-CD2 4.29Å; F159-L343 HydrophobicContact CZ-CG 4.36Å; F159-I348 HydrophobicContact CB-CG2 4.11Å; F159-I348 HydrophobicContact CD1-CD1 3.84Å; F159-I348 HydrophobicContact CD1-CG1 3.81Å; F159-I348 HydrophobicContact CD2-CD1 4.15Å; F159-I348 HydrophobicContact CD2-CG1 4.41Å; F159-I348 HydrophobicContact CD2-CG2 4.12Å; F159-I348 HydrophobicContact CE1-CD1 3.58Å; F159-I348 HydrophobicContact CE1-CG1 4.06Å; F159-I348 HydrophobicContact CE2-CD1 3.94Å; F159-I348 HydrophobicContact CG-CD1 4.13Å; F159-I348 HydrophobicContact CG-CG1 4Å; F159-I348 HydrophobicContact CG-CG2 4.08Å; F159-I348 HydrophobicContact CZ-CD1 3.64Å; F159-I348 HydrophobicContact CZ-CG1 4.5Å
160	W	98.6	Very high	97.3	Very high	45 Å²	45	32.4 Å²	32.4	17%	0.17	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-58.9	173.6	-172.5	-113.4	0	0	0	112.9	H106 F107 W157 T158 G175 R176 M345	H106-W160 HydrophobicContact CB-CB 4.36Å; H106-W160 HydrophobicContact CB-CG 3.91Å; H106-W160 AromaticContact CD2-CD2 3.59Å; H106-W160 AromaticContact CD2-CE3 3.93Å; H106-W160 AromaticContact CD2-CG 3.5Å; H106-W160 AromaticContact CE1-CD2 3.46Å; H106-W160 VanDerWaalsContact CE1-CD2 3.46Å; H106-W160 AromaticContact CE1-CE2 3.47Å; H106-W160 VanDerWaalsContact CE1-CE2 3.47Å; H106-W160 AromaticContact CE1-CE3 3.57Å; H106-W160 AromaticContact CE1-CH2 3.72Å; H106-W160 AromaticContact CE1-CZ2 3.62Å; H106-W160 AromaticContact CE1-CZ3 3.7Å; H106-W160 AromaticContact CG-CD1 3.52Å; H106-W160 AromaticContact CG-CD2 3.69Å; H106-W160 AromaticContact CG-CE2 3.84Å; H106-W160 AromaticContact CG-CG 3.5Å; H106-W160 AromaticContact CG-NE1 3.74Å; H106-W160 AromaticContact ND1-CD1 3.82Å; H106-W160 AromaticContact ND1-CD2 3.6Å; H106-W160 AromaticContact ND1-CE2 3.37Å; H106-W160 AromaticContact ND1-CG 3.9Å; H106-W160 AromaticContact ND1-CZ2 3.79Å; H106-W160 AromaticContact ND1-NE1 3.52Å; H106-W160 AromaticContact NE2-CD2 3.42Å; H106-W160 AromaticContact NE2-CE2 3.95Å; H106-W160 AromaticContact NE2-CE3 3.34Å; H106-W160 VanDerWaalsContact NE2-CE3 3.34Å; H106-W160 AromaticContact NE2-CG 3.88Å; H106-W160 AromaticContact NE2-CZ3 3.79Å; F107-W160 HydrophobicContact CE2-CB 3.88Å; F107-W160 HydrophobicContact CZ-CB 3.97Å; W157-W160 PolarHBondContact O-N 2.94Å; T158-W160 PolarHBondContact O-N 3.25Å; W160-G175 CarbonylContact O-C 3.58Å; W160-G175 WeakPolarHBondContact O-CA 3.3Å; W160-R176 PolarHBondContact O-N 3.17Å; W160-M345 HydrophobicContact CE3-CE 4.21Å
161	E	98.1	Very high	97.1	Very high	71 Å²	71	34 Å²	34	33%	0.332	18%	0.182	S	C	.	.	S	Bend	trans	-160.2	176.1	-176.8	69.7	-178.9	125.1	0	0	113	A99 S102 W157 T158 G163	A99-E161 WeakPolarHBondContact O-CG 3.42Å; S102-E161 WeakPolarHBondContact CB-OE1 3.14Å; W157-E161 CarbonylContact C-O 3.53Å; W157-E161 PolarHBondContact O-N 2.96Å; T158-E161 PolarHBondContact N-O 2.93Å; E161-G163 VanDerWaalsContact C-N 3.34Å; E161-G163 PolarHBondContact O-N 2.03Å
162	G	96.7	Very high	96.9	Very high	8 Å²	8	39.9 Å²	39.9	8%	0.082	22%	0.218	C	C	.	.			trans	79.5	11.4	172.5	0	0	0	0	0	115.4	R100 W157	R100-G162 WeakPolarHBondContact CG-O 3.44Å; W157-G162 VanDerWaalsContact CD1-C 3.47Å; W157-G162 VanDerWaalsContact CD1-O 3.3Å; W157-G162 PolarHBondContact NE1-O 3.3Å
163	G	98	Very high	96.8	Very high	8 Å²	8	40.4 Å²	40.4	8%	0.082	22%	0.223	C	C	.	.	S	Bend	trans	-68.6	-179.3	166.4	0	0	0	0	0	112.7	T158 E161 A165 G173 L174	T158-G163 WeakPolarHBondContact OG1-CA 3.44Å; E161-G163 VanDerWaalsContact C-N 3.34Å; E161-G163 PolarHBondContact O-N 2.03Å; G163-A165 PolarHBondContact O-N 2.76Å; G163-G173 WeakPolarHBondContact O-CA 3.3Å; G163-L174 WeakPolarHBondContact CA-O 3.37Å; G163-L174 PolarHBondContact N-O 3.39Å
164	P	96.9	Very high	96.8	Very high	64 Å²	64	40.8 Å²	40.8	42%	0.416	23%	0.225	S	C	.	.			trans	-57.8	125.5	-177.8	-26.3	35.7	0	0	0	112.6	V166 L174 F271	P164-V166 HydrophobicContact CB-CG2 3.98Å; P164-V166 PolarHBondContact O-N 2.93Å; P164-V166 VanDerWaalsContact O-N 3.16Å; P164-L174 PolarHBondContact O-N 3.15Å; P164-F271 HydrophobicContact CG-CD2 4.27Å
165	A	95.6	Very high	96.7	Very high	40 Å²	40	41.5 Å²	41.5	33%	0.331	23%	0.233	S	C	.	.			trans	-83.5	83.3	173.4	0	0	0	0	0	110.1	G163 W167 Y170	G163-A165 PolarHBondContact O-N 2.76Å; A165-W167 PolarHBondContact O-N 2.98Å; A165-Y170 CarbonylContact C-O 3.55Å; A165-Y170 VanDerWaalsContact CA-O 3.28Å; A165-Y170 WeakPolarHBondContact CA-O 3.41Å
166	V	94.9	Very high	96.7	Very high	43 Å²	43	45.8 Å²	45.8	26%	0.261	25%	0.249	S	C	.	.			trans	-89.3	102.6	-177.4	-177.4	0	0	0	0	108.6	P164 I169 Y170 E249	P164-V166 HydrophobicContact CB-CG2 3.98Å; P164-V166 PolarHBondContact O-N 2.93Å; P164-V166 VanDerWaalsContact O-N 3.16Å; V166-I169 HydrophobicContact CB-CD1 4.37Å; V166-I169 HydrophobicContact CB-CG1 4.03Å; V166-I169 HydrophobicContact CG1-CD1 3.92Å; V166-I169 HydrophobicContact CG1-CG1 3.81Å; V166-I169 VanDerWaalsContact O-CG1 3.31Å; V166-I169 WeakPolarHBondContact O-CG1 3.43Å; V166-I169 PolarHBondContact O-N 3.43Å; V166-Y170 HydrophobicContact CB-CD2 4.17Å; V166-Y170 PolarHBondContact N-O 3.07Å; V166-Y170 PolarHBondContact O-N 3.45Å; V166-E249 HydrophobicContact CG1-CB 4.07Å; V166-E249 HydrophobicContact CG1-CG 3.5Å
167	W	92.8	Very high	96.7	Very high	194 Å²	194	45.9 Å²	45.9	74%	0.735	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	140.1	178.5	-176.6	-94.6	0	0	0	111.6	A165 P171	A165-W167 PolarHBondContact O-N 2.98Å; W167-P171 HydrophobicContact CE3-CB 3.9Å; W167-P171 HydrophobicContact CZ3-CB 3.73Å
168	P	94.2	Very high	96.7	Very high	77 Å²	77	48 Å²	48	50%	0.5	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.6	-0.5	-3.4	36	-35.4	0	0	0	114.2
169	I	95.4	Very high	96.6	Very high	42 Å²	42	51.5 Å²	51.5	22%	0.215	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-28.6	-165.2	60	170.2	0	0	0	114.8	V166 E249 P251	V166-I169 HydrophobicContact CB-CD1 4.37Å; V166-I169 HydrophobicContact CB-CG1 4.03Å; V166-I169 HydrophobicContact CG1-CD1 3.92Å; V166-I169 HydrophobicContact CG1-CG1 3.81Å; V166-I169 VanDerWaalsContact O-CG1 3.31Å; V166-I169 WeakPolarHBondContact O-CG1 3.43Å; V166-I169 PolarHBondContact O-N 3.43Å; I169-E249 HydrophobicContact CD1-CB 3.99Å; I169-E249 HydrophobicContact CG1-CB 4.29Å; I169-E249 HydrophobicContact CG2-CB 4.46Å; I169-P251 HydrophobicContact CB-CG 4.33Å; I169-P251 HydrophobicContact CG2-CG 3.73Å
170	Y	95.7	Very high	96.6	Very high	34 Å²	34	52 Å²	52	13%	0.133	28%	0.282	C	S	.	.			trans	-135.9	71.3	176.2	-52.5	-57.7	0	0	0	109.8	A165 V166 T172 G173 L174 M180 L252	A165-Y170 CarbonylContact C-O 3.55Å; A165-Y170 VanDerWaalsContact CA-O 3.28Å; A165-Y170 WeakPolarHBondContact CA-O 3.41Å; V166-Y170 HydrophobicContact CB-CD2 4.17Å; V166-Y170 PolarHBondContact N-O 3.07Å; V166-Y170 PolarHBondContact O-N 3.45Å; Y170-T172 PolarHBondContact O-N 3.44Å; Y170-G173 PolarHBondContact O-N 2.84Å; Y170-G173 VanDerWaalsContact O-N 3.08Å; Y170-L174 HydrophobicContact CD1-CD1 4.26Å; Y170-L174 HydrophobicContact CD2-CB 4.39Å; Y170-L174 HydrophobicContact CD2-CD1 4.25Å; Y170-L174 HydrophobicContact CE1-CD1 4.06Å; Y170-L174 HydrophobicContact CE2-CD1 4.04Å; Y170-L174 HydrophobicContact CG-CB 4.47Å; Y170-L174 HydrophobicContact CG-CD1 4.37Å; Y170-M180 HydrophobicContact CE1-CE 3.8Å; Y170-L252 WeakPolarHBondContact OH-CB 3.38Å; Y170-L252 WeakPolarHBondContact OH-CD1 3.36Å; Y170-L252 VanDerWaalsContact OH-CG 3.3Å; Y170-L252 WeakPolarHBondContact OH-CG 3.12Å; Y170-L252 PolarHBondContact OH-N 3.24Å
171	P	93.9	Very high	96.6	Very high	78 Å²	78	51.3 Å²	51.3	51%	0.506	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-29.2	-171.2	26.3	-35	0	0	0	113.2	W167	W167-P171 HydrophobicContact CE3-CB 3.9Å; W167-P171 HydrophobicContact CZ3-CB 3.73Å
172	T	94.5	Very high	96.6	Very high	125 Å²	125	52.2 Å²	52.2	77%	0.767	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	9.2	178.4	51.5	0	0	0	0	113.4	Y170	Y170-T172 PolarHBondContact O-N 3.44Å
173	G	96.2	Very high	96.7	Very high	11 Å²	11	56.5 Å²	56.5	11%	0.113	30%	0.304	C	S	.	.			trans	92.7	142.4	-174.8	0	0	0	0	0	113	G163 Y170 G175	G163-G173 WeakPolarHBondContact O-CA 3.3Å; Y170-G173 PolarHBondContact O-N 2.84Å; Y170-G173 VanDerWaalsContact O-N 3.08Å; G173-G175 PolarHBondContact O-N 3.3Å
174	L	97.8	Very high	96.8	Very high	13 Å²	13	56.1 Å²	56.1	7%	0.068	30%	0.3	C	S	.	.	S	Bend	trans	-57	133.5	169.4	-176.9	66.9	0	0	0	109.7	T158 G163 P164 Y170 M180 L252 F271	T158-L174 PolarHBondContact OG1-O 2.75Å; G163-L174 WeakPolarHBondContact CA-O 3.37Å; G163-L174 PolarHBondContact N-O 3.39Å; P164-L174 PolarHBondContact O-N 3.15Å; Y170-L174 HydrophobicContact CD1-CD1 4.26Å; Y170-L174 HydrophobicContact CD2-CB 4.39Å; Y170-L174 HydrophobicContact CD2-CD1 4.25Å; Y170-L174 HydrophobicContact CE1-CD1 4.06Å; Y170-L174 HydrophobicContact CE2-CD1 4.04Å; Y170-L174 HydrophobicContact CG-CB 4.47Å; Y170-L174 HydrophobicContact CG-CD1 4.37Å; L174-M180 HydrophobicContact CD1-CE 4.36Å; L174-L252 HydrophobicContact CD1-CD1 4.17Å; L174-F271 HydrophobicContact CD2-CB 4.24Å
175	G	97.9	Very high	96.8	Very high	15 Å²	15	59 Å²	59	16%	0.155	31%	0.306	C	S	.	.			trans	-172.1	-162.8	-173.4	0	0	0	0	0	111.2	T158 W160 G173 W177	T158-G175 WeakPolarHBondContact O-CA 3.49Å; W160-G175 CarbonylContact O-C 3.58Å; W160-G175 WeakPolarHBondContact O-CA 3.3Å; G173-G175 PolarHBondContact O-N 3.3Å; G175-W177 PolarHBondContact O-N 2.88Å
176	R	98.5	Very high	97	Very high	90 Å²	90	63.8 Å²	63.8	34%	0.34	32%	0.319	S	S	.	.			trans	45.6	61.1	171.3	-66	-60.3	-55.8	-81.3	3.2	112.3	W160 D178 L179 M180	W160-R176 PolarHBondContact O-N 3.17Å; R176-D178 VanDerWaalsContact CA-OD1 3.24Å; R176-D178 WeakPolarHBondContact CA-OD1 3.45Å; R176-D178 IonicContact CZ-OD1 3.42Å; R176-D178 IonicContact CZ-OD2 3.1Å; R176-D178 IonicContact NE-OD1 3.3Å; R176-D178 PolarHBondContact NE-OD1 3.42Å; R176-D178 IonicContact NE-OD2 3.76Å; R176-D178 PolarHBondContact NE-OD2 3.17Å; R176-D178 IonicContact NH2-OD1 2.7Å; R176-D178 IonicContact NH2-OD2 3.76Å; R176-D178 PolarHBondContact NH2-OD2 2.85Å; R176-D178 PolarHBondContact O-N 3.03Å; R176-L179 HydrophobicContact CB-CB 4.21Å; R176-L179 HydrophobicContact CB-CD1 4.12Å; R176-L179 HydrophobicContact CB-CG 4.16Å; R176-L179 HydrophobicContact CG-CD1 4.41Å; R176-L179 PolarHBondContact O-N 3.05Å; R176-M180 WeakPolarHBondContact O-CB 3.43Å; R176-M180 PolarHBondContact O-N 2.97Å
177	W	98.8	Very high	97.2	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.008	31%	0.309	C	S	.	.	H	α-helix	trans	-56.6	-33.4	-179.2	174.9	-124.5	0	0	0	112.1	F159 G175 M180 R181 K274 H275 L278 I339 L343 M345	F159-W177 HydrophobicContact CB-CB 4.41Å; F159-W177 HydrophobicContact CD1-CB 3.77Å; F159-W177 AromaticContact CD1-CD1 3.41Å; F159-W177 VanDerWaalsContact CD1-CD1 3.41Å; F159-W177 HydrophobicContact CD1-CD2 4.34Å; F159-W177 AromaticContact CD1-CG 3.57Å; F159-W177 HydrophobicContact CD1-CG 3.57Å; F159-W177 AromaticContact CD1-NE1 4Å; F159-W177 AromaticContact CE1-CD1 3.72Å; F159-W177 HydrophobicContact CE1-CD2 4.37Å; F159-W177 HydrophobicContact CE1-CG 4.02Å; F159-W177 AromaticContact CE1-NE1 3.8Å; F159-W177 VanDerWaalsContact O-CB 3.3Å; F159-W177 WeakPolarHBondContact O-CB 3.42Å; F159-W177 PolarHBondContact O-N 3.34Å; G175-W177 PolarHBondContact O-N 2.88Å; W177-M180 HydrophobicContact CE3-CB 4.44Å; W177-M180 HydrophobicContact CE3-CG 4.41Å; W177-R181 HydrophobicContact CD2-CG 3.7Å; W177-R181 HydrophobicContact CE3-CG 3.97Å; W177-R181 HydrophobicContact CG-CG 4.3Å; W177-R181 HydrophobicContact CH2-CG 3.92Å; W177-R181 HydrophobicContact CZ2-CG 3.63Å; W177-R181 HydrophobicContact CZ3-CG 4.06Å; W177-R181 WeakPolarHBondContact O-CB 3.29Å; W177-R181 VanDerWaalsContact O-CD 3.29Å; W177-R181 WeakPolarHBondContact O-CD 3.37Å; W177-R181 WeakPolarHBondContact O-CG 3.21Å; W177-R181 PolarHBondContact O-N 3.25Å; W177-K274 HydrophobicContact CD2-CD 4.21Å; W177-K274 HydrophobicContact CE3-CD 4.13Å; W177-K274 HydrophobicContact CH2-CB 4.05Å; W177-K274 HydrophobicContact CH2-CD 4.14Å; W177-K274 HydrophobicContact CH2-CG 4.04Å; W177-K274 HydrophobicContact CZ2-CB 4.39Å; W177-K274 HydrophobicContact CZ2-CD 4.22Å; W177-K274 HydrophobicContact CZ3-CD 4.1Å; W177-K274 HydrophobicContact CZ3-CG 4.07Å; W177-H275 AromaticContact CE3-NE2 3.82Å; W177-H275 AromaticContact CZ3-CD2 3.54Å; W177-H275 AromaticContact CZ3-NE2 3.8Å; W177-L278 HydrophobicContact CH2-CD1 3.28Å; W177-L278 HydrophobicContact CH2-CG 4.04Å; W177-L278 HydrophobicContact CZ2-CD1 3.95Å; W177-L278 HydrophobicContact CZ3-CD1 3.83Å; W177-I339 HydrophobicContact CH2-CG2 4.01Å; W177-I339 HydrophobicContact CZ2-CG2 3.76Å; W177-L343 HydrophobicContact CZ2-CD2 4.28Å; W177-L343 PolarHBondContact NE1-O 2.87Å; W177-M345 HydrophobicContact CB-SD 4.04Å; W177-M345 HydrophobicContact CG-SD 4.47Å
178	D	98	Very high	97.4	Very high	44 Å²	44	53.5 Å²	53.5	24%	0.235	28%	0.279	C	S	.	.	H	α-helix	trans	-51.6	-55.1	168.8	55.1	-33.7	0	0	0	112.9	R176 R181 M345	R176-D178 VanDerWaalsContact CA-OD1 3.24Å; R176-D178 WeakPolarHBondContact CA-OD1 3.45Å; R176-D178 IonicContact CZ-OD1 3.42Å; R176-D178 IonicContact CZ-OD2 3.1Å; R176-D178 IonicContact NE-OD1 3.3Å; R176-D178 PolarHBondContact NE-OD1 3.42Å; R176-D178 IonicContact NE-OD2 3.76Å; R176-D178 PolarHBondContact NE-OD2 3.17Å; R176-D178 IonicContact NH2-OD1 2.7Å; R176-D178 IonicContact NH2-OD2 3.76Å; R176-D178 PolarHBondContact NH2-OD2 2.85Å; R176-D178 PolarHBondContact O-N 3.03Å; D178-R181 PolarHBondContact O-N 3.26Å; D178-M345 HydrophobicContact CB-CG 3.8Å
179	L	98.4	Very high	97.6	Very high	77 Å²	77	53.6 Å²	53.6	40%	0.403	29%	0.287	S	S	.	.	H	α-helix	trans	-70.9	-42.9	-177.8	-58.4	-175.7	0	0	0	111.8	R176 R181 D182 E183	R176-L179 HydrophobicContact CB-CB 4.21Å; R176-L179 HydrophobicContact CB-CD1 4.12Å; R176-L179 HydrophobicContact CB-CG 4.16Å; R176-L179 HydrophobicContact CG-CD1 4.41Å; R176-L179 PolarHBondContact O-N 3.05Å; L179-R181 PolarHBondContact O-N 2.97Å; L179-D182 WeakPolarHBondContact O-CB 3.12Å; L179-D182 PolarHBondContact O-N 3.14Å; L179-E183 PolarHBondContact O-N 2.69Å
180	M	98.5	Very high	97.8	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.059	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-33.3	179.4	-179.7	56	60.9	0	0	111.9	Y170 L174 R176 W177 E183 L184 H275	Y170-M180 HydrophobicContact CE1-CE 3.8Å; L174-M180 HydrophobicContact CD1-CE 4.36Å; R176-M180 WeakPolarHBondContact O-CB 3.43Å; R176-M180 PolarHBondContact O-N 2.97Å; W177-M180 HydrophobicContact CE3-CB 4.44Å; W177-M180 HydrophobicContact CE3-CG 4.41Å; M180-E183 PolarHBondContact O-N 3.32Å; M180-L184 HydrophobicContact CG-CD1 3.79Å; M180-L184 HydrophobicContact CG-CG 4.45Å; M180-L184 WeakPolarHBondContact O-CB 3.25Å; M180-L184 WeakPolarHBondContact O-CD1 3.16Å; M180-L184 VanDerWaalsContact O-CG 3.31Å; M180-L184 WeakPolarHBondContact O-CG 3.49Å; M180-L184 PolarHBondContact O-N 3.23Å; M180-L184 HydrophobicContact SD-CD1 3.8Å; M180-L184 HydrophobicContact SD-CG 3.93Å; M180-H275 WeakPolarHBondContact CG-CD2 3.04Å
181	R	98.6	Very high	97.9	Very high	30 Å²	30	59 Å²	59	11%	0.113	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-45.3	172.5	-75.9	164.6	68.7	76.9	5.1	112	W177 D178 L179 K185 L278 I339 L340 L343	W177-R181 HydrophobicContact CD2-CG 3.7Å; W177-R181 HydrophobicContact CE3-CG 3.97Å; W177-R181 HydrophobicContact CG-CG 4.3Å; W177-R181 HydrophobicContact CH2-CG 3.92Å; W177-R181 HydrophobicContact CZ2-CG 3.63Å; W177-R181 HydrophobicContact CZ3-CG 4.06Å; W177-R181 WeakPolarHBondContact O-CB 3.29Å; W177-R181 VanDerWaalsContact O-CD 3.29Å; W177-R181 WeakPolarHBondContact O-CD 3.37Å; W177-R181 WeakPolarHBondContact O-CG 3.21Å; W177-R181 PolarHBondContact O-N 3.25Å; D178-R181 PolarHBondContact O-N 3.26Å; L179-R181 PolarHBondContact O-N 2.97Å; R181-K185 VanDerWaalsContact O-CB 3.29Å; R181-K185 WeakPolarHBondContact O-CB 3.31Å; R181-K185 PolarHBondContact O-N 2.71Å; R181-L278 HydrophobicContact CB-CD1 4.03Å; R181-L278 HydrophobicContact CG-CD1 3.65Å; R181-I339 PolarHBondContact NH1-O 2.78Å; R181-L340 PolarHBondContact NH2-O 3.43Å; R181-L343 PolarHBondContact NH1-O 3.05Å; R181-L343 VanDerWaalsContact NH1-O 3.1Å
182	D	98.4	Very high	98.2	Very high	89 Å²	89	58.6 Å²	58.6	48%	0.476	31%	0.307	S	S	.	.	H	α-helix	trans	-66.6	-41.6	-179.9	-73.6	-19.7	0	0	0	111.6	L179 K185 K186	L179-D182 WeakPolarHBondContact O-CB 3.12Å; L179-D182 PolarHBondContact O-N 3.14Å; D182-K185 PolarHBondContact O-N 2.93Å; D182-K186 VanDerWaalsContact O-CG 3.26Å; D182-K186 WeakPolarHBondContact O-CG 3.15Å; D182-K186 PolarHBondContact O-N 2.85Å
183	E	98.6	Very high	98.4	Very high	98 Å²	98	53.4 Å²	53.4	46%	0.458	27%	0.273	S	S	.	.	H	α-helix	trans	-62.9	-46.1	175.8	-69.4	-175.8	173.7	0	0	112.3	L179 M180 K186 S187 V253	L179-E183 PolarHBondContact O-N 2.69Å; M180-E183 PolarHBondContact O-N 3.32Å; E183-K186 PolarHBondContact O-N 3.3Å; E183-S187 PolarHBondContact O-N 3.09Å; E183-V253 HydrophobicContact CB-CG1 3.84Å
184	L	98.8	Very high	98.5	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.2	-38.8	177.8	-74.2	164.4	0	0	0	112	M180 S187 A188 L252 V253 H275 L278	M180-L184 HydrophobicContact CG-CD1 3.79Å; M180-L184 HydrophobicContact CG-CG 4.45Å; M180-L184 WeakPolarHBondContact O-CB 3.25Å; M180-L184 WeakPolarHBondContact O-CD1 3.16Å; M180-L184 VanDerWaalsContact O-CG 3.31Å; M180-L184 WeakPolarHBondContact O-CG 3.49Å; M180-L184 PolarHBondContact O-N 3.23Å; M180-L184 HydrophobicContact SD-CD1 3.8Å; M180-L184 HydrophobicContact SD-CG 3.93Å; L184-S187 PolarHBondContact O-N 2.83Å; L184-A188 WeakPolarHBondContact O-CB 3.31Å; L184-A188 PolarHBondContact O-N 2.91Å; L184-L252 HydrophobicContact CD2-CB 4.34Å; L184-V253 HydrophobicContact CD2-CG1 4.18Å; L184-V253 HydrophobicContact CG-CG1 4.39Å; L184-H275 HydrophobicContact CD1-CB 3.83Å; L184-L278 HydrophobicContact CB-CB 3.67Å; L184-L278 HydrophobicContact CB-CD1 4.27Å; L184-L278 HydrophobicContact CD1-CB 4.07Å; L184-L278 HydrophobicContact CD1-CD1 4.07Å; L184-L278 HydrophobicContact CG-CB 4.43Å
185	K	98.2	Very high	98.5	Very high	126 Å²	126	67.1 Å²	67.1	55%	0.548	33%	0.329	S	S	.	.	H	α-helix	trans	-61.8	-43.2	174.4	-175.5	178.2	178.8	-179.3	0	111.4	R181 D182 A188 A189	R181-K185 VanDerWaalsContact O-CB 3.29Å; R181-K185 WeakPolarHBondContact O-CB 3.31Å; R181-K185 PolarHBondContact O-N 2.71Å; D182-K185 PolarHBondContact O-N 2.93Å; K185-A188 PolarHBondContact O-N 2.57Å; K185-A189 PolarHBondContact O-N 3.1Å; K185-A189 VanDerWaalsContact O-N 3.13Å
186	K	98.7	Very high	98.6	Very high	140 Å²	140	67 Å²	67	61%	0.609	33%	0.325	S	S	*	.	H	α-helix	trans	-61.7	-45.1	174.2	-72.8	168.2	-174.5	171.2	0	111.3	D182 E183 A189 Q190	D182-K186 VanDerWaalsContact O-CG 3.26Å; D182-K186 WeakPolarHBondContact O-CG 3.15Å; D182-K186 PolarHBondContact O-N 2.85Å; E183-K186 PolarHBondContact O-N 3.3Å; K186-A189 PolarHBondContact O-N 3.01Å; K186-Q190 WeakPolarHBondContact O-CG 3.41Å; K186-Q190 PolarHBondContact O-N 3.47Å
187	S	98.8	Very high	98.6	Very high	8 Å²	8	65.8 Å²	65.8	6%	0.056	32%	0.323	C	S	.	.	H	α-helix	trans	-64.4	-43.4	177.5	-175.9	0	0	0	0	112.3	E183 L184 A189 Q190 W191 V253 C256	E183-S187 PolarHBondContact O-N 3.09Å; L184-S187 PolarHBondContact O-N 2.83Å; S187-A189 VanDerWaalsContact C-N 3.26Å; S187-A189 PolarHBondContact O-N 2.78Å; S187-Q190 WeakPolarHBondContact O-CB 3.44Å; S187-Q190 PolarHBondContact O-N 3.34Å; S187-W191 PolarHBondContact O-N 2.8Å; S187-V253 PolarHBondContact OG-O 3.06Å; S187-C256 WeakPolarHBondContact OG-CB 3.49Å
188	A	98.6	Very high	98.5	Very high	12 Å²	12	68 Å²	68	10%	0.099	34%	0.342	C	S	.	.	H	α-helix	trans	-57.7	-39.2	176.4	0	0	0	0	0	112.2	L184 K185 Q190 W191 L278	L184-A188 WeakPolarHBondContact O-CB 3.31Å; L184-A188 PolarHBondContact O-N 2.91Å; K185-A188 PolarHBondContact O-N 2.57Å; A188-Q190 VanDerWaalsContact C-N 3.31Å; A188-Q190 PolarHBondContact O-N 3.28Å; A188-W191 CarbonylContact O-C 3.6Å; A188-W191 PolarHBondContact O-N 2.97Å; A188-W191 VanDerWaalsContact O-N 3.16Å; A188-L278 VanDerWaalsContact CB-O 3.32Å; A188-L278 WeakPolarHBondContact CB-O 3.2Å
189	A	98.5	Very high	98.5	Very high	80 Å²	80	68.7 Å²	68.7	66%	0.661	34%	0.341	S	S	*	.	H	α-helix	trans	-65.4	-30.7	175.8	0	0	0	0	0	113.3	K185 K186 S187 W191	K185-A189 PolarHBondContact O-N 3.1Å; K185-A189 VanDerWaalsContact O-N 3.13Å; K186-A189 PolarHBondContact O-N 3.01Å; S187-A189 VanDerWaalsContact C-N 3.26Å; S187-A189 PolarHBondContact O-N 2.78Å; A189-W191 VanDerWaalsContact C-N 3.28Å
190	Q	98.6	Very high	98.5	Very high	123 Å²	123	65 Å²	65	58%	0.575	32%	0.322	S	S	*	.	H	α-helix	trans	-74.8	-20	175	-63.5	176.4	26.2	0	0	113.1	K186 S187 A188 P192 K195	K186-Q190 WeakPolarHBondContact O-CG 3.41Å; K186-Q190 PolarHBondContact O-N 3.47Å; S187-Q190 WeakPolarHBondContact O-CB 3.44Å; S187-Q190 PolarHBondContact O-N 3.34Å; A188-Q190 VanDerWaalsContact C-N 3.31Å; A188-Q190 PolarHBondContact O-N 3.28Å; Q190-P192 VanDerWaalsContact C-CD 3.45Å; Q190-P192 WeakPolarHBondContact O-CD 3.25Å; Q190-K195 PolarHBondContact O-NZ 2.97Å; Q190-K195 VanDerWaalsContact O-NZ 3.09Å
191	W	98.8	Very high	98.6	Very high	65 Å²	65	64.5 Å²	64.5	25%	0.246	32%	0.319	C	S	.	.	S	Bend	trans	-123.3	66.9	-176.9	-65.7	107.4	0	0	0	111.4	S187 A188 A189 K195 K196 C256 K257	S187-W191 PolarHBondContact O-N 2.8Å; A188-W191 CarbonylContact O-C 3.6Å; A188-W191 PolarHBondContact O-N 2.97Å; A188-W191 VanDerWaalsContact O-N 3.16Å; A189-W191 VanDerWaalsContact C-N 3.28Å; W191-K195 HydrophobicContact CE3-CD 3.91Å; W191-K195 HydrophobicContact CE3-CG 3.92Å; W191-K195 HydrophobicContact CZ3-CD 4.08Å; W191-K195 HydrophobicContact CZ3-CG 3.99Å; W191-K196 HydrophobicContact CB-CG 4.29Å; W191-K196 WeakPolarHBondContact O-CE 3.4Å; W191-K196 PolarHBondContact O-NZ 3.35Å; W191-C256 WeakPolarHBondContact CB-O 3.07Å; W191-K257 HydrophobicContact CD2-CB 3.52Å; W191-K257 VanDerWaalsContact CE2-CB 3.48Å; W191-K257 HydrophobicContact CE3-CB 3.76Å; W191-K257 HydrophobicContact CG-CB 4.07Å; W191-K257 HydrophobicContact CH2-CB 3.94Å; W191-K257 HydrophobicContact CZ2-CB 3.72Å; W191-K257 HydrophobicContact CZ2-CD 4.5Å; W191-K257 HydrophobicContact CZ3-CB 3.95Å
192	P	98.6	Very high	98.6	Very high	71 Å²	71	63.1 Å²	63.1	46%	0.461	31%	0.314	S	S	.	.			trans	-59.4	152.2	174	27.3	-35.6	0	0	0	110.7	Q190 K194 K195 K196	Q190-P192 VanDerWaalsContact C-CD 3.45Å; Q190-P192 WeakPolarHBondContact O-CD 3.25Å; P192-K194 VanDerWaalsContact C-N 3.29Å; P192-K194 PolarHBondContact O-N 3.21Å; P192-K195 HydrophobicContact CG-CB 4.05Å; P192-K195 WeakPolarHBondContact O-CB 3.4Å; P192-K195 PolarHBondContact O-N 3.07Å; P192-K196 PolarHBondContact O-N 3.48Å
193	W	98.8	Very high	98.6	Very high	16 Å²	16	59.9 Å²	59.9	6%	0.061	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-44.1	-48.3	-171.1	-179.6	-101.3	0	0	0	114.6	K195 K196 K259 Y260 L282 D325 A328 Q329 A332	W193-K195 PolarHBondContact O-N 2.98Å; W193-K196 HydrophobicContact CE3-CD 4.39Å; W193-K196 PolarHBondContact O-N 3.32Å; W193-K259 HydrophobicContact CH2-CB 4.42Å; W193-K259 HydrophobicContact CH2-CD 4.41Å; W193-K259 HydrophobicContact CH2-CG 4.48Å; W193-K259 HydrophobicContact CZ2-CD 4Å; W193-K259 WeakPolarHBondContact O-CE 3.32Å; W193-Y260 HydrophobicContact CH2-CE1 4.47Å; W193-L282 HydrophobicContact CH2-CB 3.99Å; W193-L282 HydrophobicContact CZ3-CB 4.21Å; W193-D325 WeakPolarHBondContact CZ2-OD1 3.25Å; W193-D325 VanDerWaalsContact NE1-CG 3.29Å; W193-D325 PolarHBondContact NE1-OD1 3.06Å; W193-D325 PolarHBondContact NE1-OD2 2.78Å; W193-A328 HydrophobicContact CH2-CB 4.05Å; W193-A328 HydrophobicContact CZ2-CB 3.84Å; W193-Q329 HydrophobicContact CB-CG 4.16Å; W193-Q329 HydrophobicContact CD2-CB 3.89Å; W193-Q329 HydrophobicContact CD2-CG 3.79Å; W193-Q329 HydrophobicContact CE3-CB 4.48Å; W193-Q329 HydrophobicContact CE3-CG 4.32Å; W193-Q329 HydrophobicContact CG-CB 4.12Å; W193-Q329 HydrophobicContact CG-CG 3.68Å; W193-Q329 HydrophobicContact CZ2-CB 4.07Å; W193-A332 HydrophobicContact CE3-CB 4.38Å; W193-A332 HydrophobicContact CH2-CB 4.39Å; W193-A332 HydrophobicContact CZ3-CB 3.74Å
194	K	98.4	Very high	98.6	Very high	192 Å²	192	55.4 Å²	55.4	84%	0.835	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-64.8	-21.4	-178.8	-65.4	-173.7	177.9	-177.5	0	114.5	P192	P192-K194 VanDerWaalsContact C-N 3.29Å; P192-K194 PolarHBondContact O-N 3.21Å
195	K	98.6	Very high	98.6	Very high	120 Å²	120	56.3 Å²	56.3	52%	0.522	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-90.8	-16.4	179.7	-171.1	-176.2	169.7	-166.5	0	112.6	Q190 W191 P192 W193	Q190-K195 PolarHBondContact O-NZ 2.97Å; Q190-K195 VanDerWaalsContact O-NZ 3.09Å; W191-K195 HydrophobicContact CE3-CD 3.91Å; W191-K195 HydrophobicContact CE3-CG 3.92Å; W191-K195 HydrophobicContact CZ3-CD 4.08Å; W191-K195 HydrophobicContact CZ3-CG 3.99Å; P192-K195 HydrophobicContact CG-CB 4.05Å; P192-K195 WeakPolarHBondContact O-CB 3.4Å; P192-K195 PolarHBondContact O-N 3.07Å; W193-K195 PolarHBondContact O-N 2.98Å
196	K	98.8	Very high	98.6	Very high	12 Å²	12	54 Å²	54	5%	0.052	27%	0.269	C	S	.	.	S	Bend	trans	-70.5	143.6	-176.6	-64.4	-178.1	-171.4	-60	0	111.7	W191 P192 W193 A198 C256 K257 K259 C279 G280 S281	W191-K196 HydrophobicContact CB-CG 4.29Å; W191-K196 WeakPolarHBondContact O-CE 3.4Å; W191-K196 PolarHBondContact O-NZ 3.35Å; P192-K196 PolarHBondContact O-N 3.48Å; W193-K196 HydrophobicContact CE3-CD 4.39Å; W193-K196 PolarHBondContact O-N 3.32Å; K196-A198 PolarHBondContact O-N 2.66Å; K196-C256 PolarHBondContact NZ-O 3.3Å; K196-K257 CarbonylContact C-O 3.42Å; K196-K257 WeakPolarHBondContact CA-O 3.41Å; K196-K257 WeakPolarHBondContact CB-O 3.27Å; K196-K259 HydrophobicContact CB-CB 4.34Å; K196-K259 HydrophobicContact CB-CG 3.43Å; K196-K259 VanDerWaalsContact CB-CG 3.43Å; K196-K259 HydrophobicContact CD-CG 4.32Å; K196-C279 PolarHBondContact NZ-O 3.13Å; K196-G280 WeakPolarHBondContact CE-O 3.23Å; K196-S281 WeakPolarHBondContact CE-OG 3.46Å; K196-S281 PolarHBondContact NZ-OG 3.46Å
197	E	98.5	Very high	98.5	Very high	65 Å²	65	49.7 Å²	49.7	30%	0.304	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	123.6	174.8	-64.8	-179.3	-139.5	0	0	110.5	R199 K257 Y258 K259	E197-R199 PolarHBondContact O-N 2.98Å; E197-R199 IonicContact OE2-CZ 3.76Å; E197-R199 IonicContact OE2-NE 2.88Å; E197-R199 IonicContact OE2-NH2 3.86Å; E197-R199 PolarHBondContact OE2-NH2 3.21Å; E197-R199 VanDerWaalsContact OE2-NH2 3.07Å; E197-K257 PolarHBondContact N-O 3.43Å; E197-K257 IonicContact OE1-NZ 3.15Å; E197-K257 PolarHBondContact OE1-NZ 3.01Å; E197-Y258 HydrophobicContact CB-CD1 3.9Å; E197-Y258 HydrophobicContact CB-CE1 4.38Å; E197-Y258 WeakPolarHBondContact OE2-CE1 3.49Å; E197-K259 WeakPolarHBondContact O-CB 3.43Å; E197-K259 PolarHBondContact O-N 2.81Å
198	A	98.1	Very high	98.5	Very high	49 Å²	49	50.1 Å²	50.1	41%	0.405	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	54	-178.9	0	0	0	0	0	112.9	K196 K259 Y260 K322	K196-A198 PolarHBondContact O-N 2.66Å; A198-K259 HydrophobicContact CB-CD 4.14Å; A198-Y260 VanDerWaalsContact C-CE2 3.48Å; A198-Y260 HydrophobicContact CB-CE2 4.22Å; A198-K322 WeakPolarHBondContact O-CE 3.49Å
199	R	97.8	Very high	98.5	Very high	57 Å²	57	52.4 Å²	52.4	22%	0.215	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.9	-176.2	-173.6	167.2	51.9	166	-0.7	110.4	E197 P222 L224 D226	E197-R199 PolarHBondContact O-N 2.98Å; E197-R199 IonicContact OE2-CZ 3.76Å; E197-R199 IonicContact OE2-NE 2.88Å; E197-R199 IonicContact OE2-NH2 3.86Å; E197-R199 PolarHBondContact OE2-NH2 3.21Å; E197-R199 VanDerWaalsContact OE2-NH2 3.07Å; R199-P222 WeakPolarHBondContact CD-O 3.47Å; R199-P222 PolarHBondContact NH1-O 2.82Å; R199-P222 VanDerWaalsContact NH1-O 3.14Å; R199-L224 WeakPolarHBondContact CG-O 3.35Å; R199-D226 HydrophobicContact CG-CB 4.29Å; R199-D226 IonicContact CZ-OD2 3.94Å; R199-D226 IonicContact NH2-OD2 2.67Å; R199-D226 PolarHBondContact NH2-OD2 3.28Å
200	G	98.8	Very high	98.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	134.6	171.5	0	0	0	0	0	110.8	L224 V225 D226 Y260	G200-L224 PolarHBondContact N-O 2.75Å; G200-V225 CarbonylContact O-C 3.52Å; G200-V225 WeakPolarHBondContact O-CA 3.48Å; G200-D226 PolarHBondContact O-N 3.17Å; G200-Y260 CarbonylContact C-O 3.55Å
201	F	98.9	Very high	98.5	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.2	-177.3	-176.3	-104.9	0	0	0	113.6	R203 D226 I250 H255 Y258 Y260 L261 F262	F201-R203 HydrophobicContact CE1-CG 4.26Å; F201-R203 HydrophobicContact CE2-CG 4.06Å; F201-R203 HydrophobicContact CZ-CB 4.41Å; F201-R203 HydrophobicContact CZ-CG 3.57Å; F201-D226 WeakPolarHBondContact CA-O 3.3Å; F201-D226 HydrophobicContact CD2-CB 4.09Å; F201-D226 VanDerWaalsContact CD2-O 3.26Å; F201-D226 WeakPolarHBondContact CD2-O 3.29Å; F201-I250 HydrophobicContact CZ-CD1 4Å; F201-I250 HydrophobicContact CZ-CG2 4.48Å; F201-H255 HydrophobicContact CD1-CB 4.33Å; F201-H255 AromaticContact CD1-CD2 3.85Å; F201-H255 HydrophobicContact CE1-CB 4.13Å; F201-H255 AromaticContact CE1-CD2 3.47Å; F201-H255 VanDerWaalsContact CE1-CD2 3.47Å; F201-H255 WeakPolarHBondContact CE1-CD2 3.47Å; F201-H255 AromaticContact CE1-CE1 3.88Å; F201-H255 AromaticContact CE1-CG 3.58Å; F201-H255 AromaticContact CE1-ND1 3.85Å; F201-H255 AromaticContact CE1-NE2 3.68Å; F201-Y258 HydrophobicContact CB-CD1 3.72Å; F201-Y258 HydrophobicContact CB-CD2 3.81Å; F201-Y258 HydrophobicContact CB-CE1 4.23Å; F201-Y258 HydrophobicContact CB-CE2 4.31Å; F201-Y258 HydrophobicContact CB-CG 3.47Å; F201-Y258 VanDerWaalsContact CB-CG 3.47Å; F201-Y258 AromaticContact CD1-CD2 3.55Å; F201-Y258 HydrophobicContact CD1-CD2 3.55Å; F201-Y258 AromaticContact CD1-CE2 3.8Å; F201-Y258 HydrophobicContact CD1-CE2 3.8Å; F201-Y258 HydrophobicContact CD1-CG 4.14Å; F201-Y258 AromaticContact CD2-CD1 3.96Å; F201-Y258 HydrophobicContact CD2-CD1 3.96Å; F201-Y258 AromaticContact CD2-CD2 3.66Å; F201-Y258 HydrophobicContact CD2-CD2 3.66Å; F201-Y258 AromaticContact CD2-CE1 3.59Å; F201-Y258 HydrophobicContact CD2-CE1 3.59Å; F201-Y258 AromaticContact CD2-CE2 3.26Å; F201-Y258 HydrophobicContact CD2-CE2 3.26Å; F201-Y258 AromaticContact CD2-CG 3.98Å; F201-Y258 HydrophobicContact CD2-CG 3.98Å; F201-Y258 AromaticContact CD2-CZ 3.23Å; F201-Y258 AromaticContact CE1-CD2 3.95Å; F201-Y258 HydrophobicContact CE1-CD2 3.95Å; F201-Y258 AromaticContact CE1-CE2 3.81Å; F201-Y258 HydrophobicContact CE1-CE2 3.81Å; F201-Y258 HydrophobicContact CE2-CD2 4.05Å; F201-Y258 HydrophobicContact CE2-CE1 4.2Å; F201-Y258 AromaticContact CE2-CE2 3.29Å; F201-Y258 HydrophobicContact CE2-CE2 3.29Å; F201-Y258 AromaticContact CE2-CZ 3.38Å; F201-Y258 WeakPolarHBondContact CE2-OH 3.15Å; F201-Y258 AromaticContact CG-CD1 3.96Å; F201-Y258 HydrophobicContact CG-CD1 3.96Å; F201-Y258 AromaticContact CG-CD2 3.37Å; F201-Y258 HydrophobicContact CG-CD2 3.37Å; F201-Y258 HydrophobicContact CG-CE1 4.08Å; F201-Y258 AromaticContact CG-CE2 3.52Å; F201-Y258 HydrophobicContact CG-CE2 3.52Å; F201-Y258 AromaticContact CG-CG 3.6Å; F201-Y258 HydrophobicContact CG-CG 3.6Å; F201-Y258 AromaticContact CG-CZ 3.88Å; F201-Y258 HydrophobicContact CZ-CD2 4.18Å; F201-Y258 AromaticContact CZ-CE2 3.56Å; F201-Y258 HydrophobicContact CZ-CE2 3.56Å; F201-Y260 PolarHBondContact N-O 2.68Å; F201-L261 HydrophobicContact CB-CD2 4.06Å; F201-L261 HydrophobicContact CD1-CD2 3.89Å; F201-L261 HydrophobicContact CG-CD2 4.46Å; F201-F262 PolarHBondContact O-N 2.78Å; F201-F262 VanDerWaalsContact O-N 3.09Å
202	F	98.9	Very high	98.5	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.009	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	135.6	172	177.5	-94.4	0	0	0	111.8	R211 L214 I215 D226 A227 E228 F262 F264	F202-R211 HydrophobicContact CZ-CG 4.46Å; F202-L214 HydrophobicContact CB-CD2 3.91Å; F202-L214 HydrophobicContact CG-CD2 4.45Å; F202-I215 HydrophobicContact CD1-CD1 4.01Å; F202-I215 HydrophobicContact CE1-CD1 4.37Å; F202-D226 PolarHBondContact N-O 3.15Å; F202-A227 HydrophobicContact CB-CB 3.84Å; F202-A227 WeakPolarHBondContact O-CA 3.37Å; F202-E228 PolarHBondContact O-N 2.85Å; F202-F262 HydrophobicContact CB-CB 4.41Å; F202-F264 HydrophobicContact CD2-CD2 4.03Å; F202-F264 HydrophobicContact CD2-CE2 4.18Å; F202-F264 AromaticContact CE2-CD2 3.9Å; F202-F264 HydrophobicContact CE2-CD2 3.9Å; F202-F264 HydrophobicContact CE2-CE2 4.43Å
203	R	98.8	Very high	98.5	Very high	21 Å²	21	41.8 Å²	41.8	8%	0.079	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124	163.1	-72.4	-63.6	-177	-76.9	6.6	109.7	F201 D226 E228 T230 I250 R272	F201-R203 HydrophobicContact CE1-CG 4.26Å; F201-R203 HydrophobicContact CE2-CG 4.06Å; F201-R203 HydrophobicContact CZ-CB 4.41Å; F201-R203 HydrophobicContact CZ-CG 3.57Å; R203-D226 IonicContact CZ-OD1 3Å; R203-D226 PolarHBondContact NH1-O 3.1Å; R203-D226 VanDerWaalsContact NH1-O 3.08Å; R203-D226 IonicContact NH1-OD1 3.34Å; R203-D226 PolarHBondContact NH1-OD1 2.82Å; R203-D226 IonicContact NH2-OD1 2.81Å; R203-D226 PolarHBondContact NH2-OD1 3.27Å; R203-D226 IonicContact NH2-OD2 3.2Å; R203-E228 IonicContact CZ-OE2 3.07Å; R203-E228 VanDerWaalsContact CZ-OE2 3.3Å; R203-E228 IonicContact NE-OE2 3.93Å; R203-E228 PolarHBondContact NE-OE2 2.89Å; R203-E228 IonicContact NH2-OE1 2.69Å; R203-E228 IonicContact NH2-OE2 3.33Å; R203-E228 PolarHBondContact NH2-OE2 3.29Å; R203-T230 HydrophobicContact CB-CG2 4.34Å; R203-I250 HydrophobicContact CB-CB 4.44Å; R203-I250 HydrophobicContact CG-CB 4.19Å; R203-I250 HydrophobicContact CG-CD1 3.88Å; R203-I250 HydrophobicContact CG-CG1 4.03Å; R203-R272 PolarHBondContact O-NH2 3.46Å
204	G	98.4	Very high	98.5	Very high	4 Å²	4	41 Å²	41	4%	0.041	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.9	168.6	176.2	0	0	0	0	0	111.5	Y229 T230	G204-Y229 VanDerWaalsContact O-CA 3.29Å; G204-Y229 WeakPolarHBondContact O-CA 3.19Å; G204-Y229 WeakPolarHBondContact O-CD1 3.34Å; G204-T230 WeakPolarHBondContact CA-OG1 3.41Å; G204-T230 PolarHBondContact O-N 3.14Å
205	S	98.3	Very high	98.5	Very high	18 Å²	18	32 Å²	32	13%	0.126	17%	0.172	C	C	.	.			trans	-81.2	167.1	-178.7	63.9	0	0	0	0	113.6	T207 R211 T230 N232	S205-T207 VanDerWaalsContact C-N 3.32Å; S205-T207 PolarHBondContact O-N 3.1Å; S205-T207 WeakPolarHBondContact OG-CG2 3.5Å; S205-R211 PolarHBondContact O-NH1 3.36Å; S205-T230 WeakPolarHBondContact CA-O 3.38Å; S205-T230 WeakPolarHBondContact CB-O 3.49Å; S205-T230 PolarHBondContact N-OG1 2.93Å; S205-N232 WeakPolarHBondContact CB-ND2 3.3Å; S205-N232 PolarHBondContact OG-ND2 3.06Å; S205-N232 VanDerWaalsContact OG-ND2 3.14Å
206	R	98.4	Very high	98.5	Very high	78 Å²	78	30.4 Å²	30.4	29%	0.294	17%	0.169	S	C	.	.			trans	-79.3	67.5	176.7	-167.8	168.9	-176.6	-96.4	-2.3	113.5	S208 D212 Y229 D240	R206-S208 VanDerWaalsContact C-N 3.35Å; R206-D212 IonicContact CZ-OD1 3.68Å; R206-D212 IonicContact CZ-OD2 3.3Å; R206-D212 IonicContact NE-OD1 2.67Å; R206-D212 PolarHBondContact NE-OD1 2.86Å; R206-D212 IonicContact NE-OD2 3.35Å; R206-D212 PolarHBondContact NE-OD2 2.85Å; R206-D212 IonicContact NH2-OD1 3.57Å; R206-D212 IonicContact NH2-OD2 2.82Å; R206-D212 PolarHBondContact NH2-OD2 3.23Å; R206-Y229 VanDerWaalsContact CA-CE1 3.49Å; R206-Y229 HydrophobicContact CB-CD1 3.87Å; R206-Y229 HydrophobicContact CB-CD2 4.24Å; R206-Y229 HydrophobicContact CB-CE1 3.63Å; R206-Y229 HydrophobicContact CB-CE2 3.98Å; R206-Y229 HydrophobicContact CB-CG 4.19Å; R206-Y229 HydrophobicContact CG-CE1 4.01Å; R206-Y229 HydrophobicContact CG-CE2 3.86Å; R206-D240 WeakPolarHBondContact CB-O 3.12Å
207	T	97.8	Very high	98.5	Very high	49 Å²	49	30.3 Å²	30.3	30%	0.301	17%	0.169	S	C	.	.	S	Bend	trans	-85	-6	176.4	49.8	0	0	0	0	114.1	S205 R211 G266	S205-T207 VanDerWaalsContact C-N 3.32Å; S205-T207 PolarHBondContact O-N 3.1Å; S205-T207 WeakPolarHBondContact OG-CG2 3.5Å; T207-R211 PolarHBondContact OG1-NH1 3.49Å; T207-R211 PolarHBondContact OG1-NH2 3.35Å; T207-G266 CarbonylContact O-C 3.08Å; T207-G266 VanDerWaalsContact OG1-CA 3.25Å; T207-G266 WeakPolarHBondContact OG1-CA 3.2Å
208	S	98.1	Very high	98.5	Very high	18 Å²	18	27.8 Å²	27.8	13%	0.126	16%	0.159	C	C	.	.	S	Bend	trans	-152.3	143.2	169.8	173.6	0	0	0	0	108.1	R206 E210 R211	R206-S208 VanDerWaalsContact C-N 3.35Å; S208-E210 PolarHBondContact O-N 2.05Å; S208-E210 PolarHBondContact OG-N 3.45Å; S208-R211 PolarHBondContact O-N 3.32Å
209	A	98.1	Very high	98.5	Very high	59 Å²	59	30 Å²	30	49%	0.488	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-69.4	-17.1	175.5	0	0	0	0	0	112.7	R211 D212	A209-R211 PolarHBondContact O-N 3.41Å; A209-D212 VanDerWaalsContact O-CB 3.24Å; A209-D212 WeakPolarHBondContact O-CB 3.23Å; A209-D212 VanDerWaalsContact O-CG 3.23Å; A209-D212 PolarHBondContact O-N 3.17Å
210	E	98.5	Very high	98.6	Very high	38 Å²	38	34 Å²	34	18%	0.178	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-61.6	-15.9	175	-69.2	173.4	-155.2	0	0	113.6	S208 P213 F264 R265 Q309	S208-E210 PolarHBondContact O-N 2.05Å; S208-E210 PolarHBondContact OG-N 3.45Å; E210-P213 WeakPolarHBondContact O-CD 3.03Å; E210-F264 WeakPolarHBondContact O-CE1 3.43Å; E210-R265 WeakPolarHBondContact OE1-CD 3.37Å; E210-R265 IonicContact OE1-NH1 3.03Å; E210-R265 VanDerWaalsContact OE2-CD 3.25Å; E210-R265 WeakPolarHBondContact OE2-CD 3.4Å; E210-R265 VanDerWaalsContact OE2-CG 3.24Å; E210-R265 WeakPolarHBondContact OE2-CG 3.48Å; E210-Q309 VanDerWaalsContact CD-NE2 3.31Å; E210-Q309 HydrophobicContact CG-CG 4.11Å; E210-Q309 PolarHBondContact OE1-NE2 2.78Å
211	R	98.8	Very high	98.5	Very high	6 Å²	6	35 Å²	35	2%	0.023	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-79.5	-21.6	174	-67.6	170.7	-171.2	-163.8	-0.8	112.6	F202 S205 T207 S208 A209 P213 L214 I215 Y229 F264 R265	F202-R211 HydrophobicContact CZ-CG 4.46Å; S205-R211 PolarHBondContact O-NH1 3.36Å; T207-R211 PolarHBondContact OG1-NH1 3.49Å; T207-R211 PolarHBondContact OG1-NH2 3.35Å; S208-R211 PolarHBondContact O-N 3.32Å; A209-R211 PolarHBondContact O-N 3.41Å; R211-P213 VanDerWaalsContact C-CD 3.47Å; R211-L214 PolarHBondContact O-N 3.09Å; R211-I215 PolarHBondContact O-N 3.16Å; R211-Y229 VanDerWaalsContact C-OH 3.31Å; R211-Y229 HydrophobicContact CB-CE1 3.89Å; R211-Y229 WeakPolarHBondContact CB-OH 3.48Å; R211-F264 HydrophobicContact CB-CD1 4.39Å; R211-F264 HydrophobicContact CG-CB 3.67Å; R211-F264 HydrophobicContact CG-CD1 3.72Å; R211-F264 HydrophobicContact CG-CD2 4.06Å; R211-F264 HydrophobicContact CG-CE1 4.3Å; R211-F264 HydrophobicContact CG-CG 3.58Å; R211-R265 VanDerWaalsContact CZ-O 3.29Å; R211-R265 PolarHBondContact NE-O 3.31Å; R211-R265 PolarHBondContact NH2-O 3.08Å
212	D	98.7	Very high	98.5	Very high	22 Å²	22	38.3 Å²	38.3	12%	0.118	21%	0.207	C	C	.	.	H	α-helix	trans	-56.9	-43.4	-172.5	-66.5	-18.1	0	0	0	113.6	R206 A209 L214 I215 L216 Y229 L242	R206-D212 IonicContact CZ-OD1 3.68Å; R206-D212 IonicContact CZ-OD2 3.3Å; R206-D212 IonicContact NE-OD1 2.67Å; R206-D212 PolarHBondContact NE-OD1 2.86Å; R206-D212 IonicContact NE-OD2 3.35Å; R206-D212 PolarHBondContact NE-OD2 2.85Å; R206-D212 IonicContact NH2-OD1 3.57Å; R206-D212 IonicContact NH2-OD2 2.82Å; R206-D212 PolarHBondContact NH2-OD2 3.23Å; A209-D212 VanDerWaalsContact O-CB 3.24Å; A209-D212 WeakPolarHBondContact O-CB 3.23Å; A209-D212 VanDerWaalsContact O-CG 3.23Å; A209-D212 PolarHBondContact O-N 3.17Å; D212-L214 VanDerWaalsContact C-N 3.25Å; D212-L214 PolarHBondContact O-N 3.34Å; D212-I215 PolarHBondContact O-N 3.4Å; D212-I215 VanDerWaalsContact O-N 3.11Å; D212-L216 WeakPolarHBondContact O-CG 3.24Å; D212-L216 PolarHBondContact O-N 3.13Å; D212-Y229 PolarHBondContact N-OH 3.4Å; D212-Y229 VanDerWaalsContact N-OH 3.15Å; D212-Y229 WeakPolarHBondContact OD1-CE2 3.48Å; D212-Y229 PolarHBondContact OD1-OH 3.31Å; D212-L242 HydrophobicContact CB-CD1 4.4Å
213	P	98.8	Very high	98.4	Very high	50 Å²	50	45.1 Å²	45.1	33%	0.325	24%	0.244	S	C	.	.	H	α-helix	trans	-60.3	-33.5	-178.2	-24	35.1	0	0	0	113.3	E210 R211 L217 L311	E210-P213 WeakPolarHBondContact O-CD 3.03Å; R211-P213 VanDerWaalsContact C-CD 3.47Å; P213-L217 VanDerWaalsContact O-CB 3.28Å; P213-L217 WeakPolarHBondContact O-CB 3.41Å; P213-L217 PolarHBondContact O-N 3.02Å; P213-L311 HydrophobicContact CB-CB 3.99Å; P213-L311 HydrophobicContact CB-CD2 4.12Å
214	L	98.8	Very high	98.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-71.1	-38.9	177.2	-167.8	69	0	0	0	111.9	F202 R211 D212 L216 L217 S218 V225 A227 F262 F264 L311 V314	F202-L214 HydrophobicContact CB-CD2 3.91Å; F202-L214 HydrophobicContact CG-CD2 4.45Å; R211-L214 PolarHBondContact O-N 3.09Å; D212-L214 VanDerWaalsContact C-N 3.25Å; D212-L214 PolarHBondContact O-N 3.34Å; L214-L216 VanDerWaalsContact C-N 3.34Å; L214-L217 HydrophobicContact CD1-CD2 4.4Å; L214-L217 PolarHBondContact O-N 3.13Å; L214-S218 WeakPolarHBondContact O-CB 3.48Å; L214-S218 PolarHBondContact O-N 2.96Å; L214-V225 HydrophobicContact CD1-CG1 3.77Å; L214-V225 HydrophobicContact CD1-CG2 4.22Å; L214-V225 HydrophobicContact CD2-CG1 4.49Å; L214-V225 HydrophobicContact CG-CG1 3.95Å; L214-A227 HydrophobicContact CD2-CB 3.88Å; L214-A227 HydrophobicContact CG-CB 3.83Å; L214-F262 HydrophobicContact CD1-CD1 4.15Å; L214-F262 HydrophobicContact CD1-CD2 4.38Å; L214-F262 HydrophobicContact CD1-CE1 3.95Å; L214-F262 HydrophobicContact CD1-CE2 4.2Å; L214-F262 HydrophobicContact CD1-CG 4.37Å; L214-F262 HydrophobicContact CD1-CZ 3.98Å; L214-F262 HydrophobicContact CD2-CB 3.76Å; L214-F262 HydrophobicContact CD2-CD1 3.89Å; L214-F262 HydrophobicContact CD2-CD2 3.97Å; L214-F262 HydrophobicContact CD2-CG 3.59Å; L214-F264 HydrophobicContact CB-CE2 4.44Å; L214-F264 HydrophobicContact CB-CZ 3.78Å; L214-F264 HydrophobicContact CD2-CE2 3.52Å; L214-F264 HydrophobicContact CD2-CZ 3.63Å; L214-F264 HydrophobicContact CG-CZ 4.26Å; L214-L311 HydrophobicContact CB-CD2 3.57Å; L214-L311 HydrophobicContact CD1-CD2 4.04Å; L214-L311 HydrophobicContact CG-CD2 4.38Å; L214-V314 HydrophobicContact CD1-CG2 4.34Å
215	I	98.8	Very high	98.4	Very high	2 Å²	2	45 Å²	45	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-66.2	-41.2	177.2	-54.9	-53.8	0	0	0	110.2	F202 R211 D212 S218 R219 A227 Y229	F202-I215 HydrophobicContact CD1-CD1 4.01Å; F202-I215 HydrophobicContact CE1-CD1 4.37Å; R211-I215 PolarHBondContact O-N 3.16Å; D212-I215 PolarHBondContact O-N 3.4Å; D212-I215 VanDerWaalsContact O-N 3.11Å; I215-S218 PolarHBondContact O-N 3.21Å; I215-R219 VanDerWaalsContact O-CG 3.3Å; I215-R219 WeakPolarHBondContact O-CG 3.26Å; I215-R219 PolarHBondContact O-N 3.14Å; I215-R219 VanDerWaalsContact O-N 3.11Å; I215-A227 HydrophobicContact CD1-CB 3.83Å; I215-A227 WeakPolarHBondContact CD1-O 3.19Å; I215-Y229 HydrophobicContact CB-CD2 4.43Å; I215-Y229 HydrophobicContact CB-CE2 4.18Å; I215-Y229 HydrophobicContact CD1-CD1 4.33Å; I215-Y229 HydrophobicContact CD1-CE1 4.34Å; I215-Y229 HydrophobicContact CD1-CG 4.44Å; I215-Y229 HydrophobicContact CG1-CD1 4.22Å; I215-Y229 HydrophobicContact CG1-CD2 3.87Å; I215-Y229 HydrophobicContact CG1-CE1 3.93Å; I215-Y229 HydrophobicContact CG1-CE2 3.58Å; I215-Y229 HydrophobicContact CG1-CG 4.18Å; I215-Y229 HydrophobicContact CG2-CD2 4.08Å; I215-Y229 HydrophobicContact CG2-CE2 4.28Å
216	L	98.7	Very high	98.4	Very high	88 Å²	88	45 Å²	45	46%	0.461	24%	0.243	S	C	.	.	H	α-helix	trans	-65.2	-42.9	174.8	-68	174.9	0	0	0	111.4	D212 L214 S218 R219 E220 L242	D212-L216 WeakPolarHBondContact O-CG 3.24Å; D212-L216 PolarHBondContact O-N 3.13Å; L214-L216 VanDerWaalsContact C-N 3.34Å; L216-S218 VanDerWaalsContact C-N 3.33Å; L216-S218 PolarHBondContact O-N 2.83Å; L216-R219 WeakPolarHBondContact O-CB 3.1Å; L216-R219 PolarHBondContact O-N 3.38Å; L216-E220 PolarHBondContact O-N 2.97Å; L216-L242 HydrophobicContact CD1-CD2 4.33Å; L216-L242 HydrophobicContact CD2-CD2 3.46Å; L216-L242 VanDerWaalsContact CD2-CD2 3.46Å; L216-L242 HydrophobicContact CG-CD2 3.72Å
217	L	98.7	Very high	98.4	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-42.5	173.7	175.6	58.9	0	0	0	112.1	P213 L214 R219 E220 A221 L224 V225 V314 R315	P213-L217 VanDerWaalsContact O-CB 3.28Å; P213-L217 WeakPolarHBondContact O-CB 3.41Å; P213-L217 PolarHBondContact O-N 3.02Å; L214-L217 HydrophobicContact CD1-CD2 4.4Å; L214-L217 PolarHBondContact O-N 3.13Å; L217-R219 VanDerWaalsContact C-N 3.31Å; L217-R219 PolarHBondContact O-N 2.99Å; L217-E220 PolarHBondContact O-N 3.27Å; L217-A221 HydrophobicContact CD1-CB 4.35Å; L217-A221 PolarHBondContact O-N 3.03Å; L217-L224 HydrophobicContact CD1-CD2 4.3Å; L217-V225 HydrophobicContact CD2-CG2 3.8Å; L217-V225 HydrophobicContact CG-CG2 4.01Å; L217-V314 HydrophobicContact CD2-CG1 3.54Å; L217-V314 HydrophobicContact CD2-CG2 4.49Å; L217-R315 HydrophobicContact CD1-CG 4.29Å; L217-R315 HydrophobicContact CD2-CG 4.38Å
218	S	98.8	Very high	98.5	Very high	11 Å²	11	43.2 Å²	43.2	8%	0.077	23%	0.234	C	C	.	.	H	α-helix	trans	-63.9	-36.7	177.3	-178.3	0	0	0	0	112.6	L214 I215 L216 A221 P222 V225 A227	L214-S218 WeakPolarHBondContact O-CB 3.48Å; L214-S218 PolarHBondContact O-N 2.96Å; I215-S218 PolarHBondContact O-N 3.21Å; L216-S218 VanDerWaalsContact C-N 3.33Å; L216-S218 PolarHBondContact O-N 2.83Å; S218-A221 CarbonylContact O-C 3.54Å; S218-P222 VanDerWaalsContact O-CA 3.25Å; S218-P222 WeakPolarHBondContact O-CA 3.29Å; S218-V225 WeakPolarHBondContact CA-O 3.41Å; S218-V225 VanDerWaalsContact CB-O 3.31Å; S218-V225 WeakPolarHBondContact CB-O 3.15Å; S218-V225 PolarHBondContact OG-O 2.68Å; S218-A227 WeakPolarHBondContact CB-O 3.32Å; S218-A227 PolarHBondContact OG-N 3.41Å; S218-A227 PolarHBondContact OG-O 3.47Å
219	R	98.4	Very high	98.5	Very high	96 Å²	96	42.6 Å²	42.6	36%	0.362	23%	0.23	S	C	.	.	H	α-helix	trans	-68.7	-35.1	175.2	-68	166.1	-177.2	-169	0.1	112.5	I215 L216 L217 T241 L242 R244	I215-R219 VanDerWaalsContact O-CG 3.3Å; I215-R219 WeakPolarHBondContact O-CG 3.26Å; I215-R219 PolarHBondContact O-N 3.14Å; I215-R219 VanDerWaalsContact O-N 3.11Å; L216-R219 WeakPolarHBondContact O-CB 3.1Å; L216-R219 PolarHBondContact O-N 3.38Å; L217-R219 VanDerWaalsContact C-N 3.31Å; L217-R219 PolarHBondContact O-N 2.99Å; R219-T241 PolarHBondContact NH2-O 3.02Å; R219-L242 PolarHBondContact NH1-O 3.24Å; R219-L242 PolarHBondContact NH2-O 3.46Å; R219-R244 VanDerWaalsContact NH2-CG 3.29Å
220	E	98.4	Very high	98.5	Very high	141 Å²	141	40.4 Å²	40.4	66%	0.659	21%	0.21	S	C	*	.	H	α-helix	trans	-76.6	-42.9	178.8	-167.9	-158.6	137.9	0	0	112	L216 L217 R315	L216-E220 PolarHBondContact O-N 2.97Å; L217-E220 PolarHBondContact O-N 3.27Å; E220-R315 IonicContact OE1-CZ 3.31Å; E220-R315 IonicContact OE1-NH2 3.67Å; E220-R315 PolarHBondContact OE1-NH2 3.31Å; E220-R315 IonicContact OE2-NH2 2.69Å; E220-R315 PolarHBondContact OE2-NH2 2.87Å
221	A	98.3	Very high	98.4	Very high	22 Å²	22	42.7 Å²	42.7	18%	0.182	22%	0.219	C	C	.	.			trans	-134	73.3	-173.5	0	0	0	0	0	111.2	L217 S218 D223 L224 V225	L217-A221 HydrophobicContact CD1-CB 4.35Å; L217-A221 PolarHBondContact O-N 3.03Å; S218-A221 CarbonylContact O-C 3.54Å; A221-D223 PolarHBondContact O-N 3.35Å; A221-L224 HydrophobicContact CB-CB 3.98Å; A221-L224 WeakPolarHBondContact O-CB 3.41Å; A221-L224 PolarHBondContact O-N 2.67Å; A221-V225 PolarHBondContact O-N 3.08Å; A221-V225 VanDerWaalsContact O-N 3.14Å
222	P	97.8	Very high	98.1	Very high	69 Å²	69	45.2 Å²	45.2	45%	0.448	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.2	-174.6	25.7	-35.5	0	0	0	114.6	R199 S218 L224 V225	R199-P222 WeakPolarHBondContact CD-O 3.47Å; R199-P222 PolarHBondContact NH1-O 2.82Å; R199-P222 VanDerWaalsContact NH1-O 3.14Å; S218-P222 VanDerWaalsContact O-CA 3.25Å; S218-P222 WeakPolarHBondContact O-CA 3.29Å; P222-L224 VanDerWaalsContact C-N 3.34Å; P222-V225 WeakPolarHBondContact CA-O 3.43Å
223	D	96.9	Very high	97.7	Very high	145 Å²	145	52.6 Å²	52.6	78%	0.775	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-22.4	172.8	-62.5	-32	0	0	0	112.2	A221	A221-D223 PolarHBondContact O-N 3.35Å
224	L	98.1	Very high	97.4	Very high	23 Å²	23	53.7 Å²	53.7	12%	0.12	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-42.2	178.8	-176.4	61.3	0	0	0	111.9	R199 G200 L217 A221 P222 R315 L318	R199-L224 WeakPolarHBondContact CG-O 3.35Å; G200-L224 PolarHBondContact N-O 2.75Å; L217-L224 HydrophobicContact CD1-CD2 4.3Å; A221-L224 HydrophobicContact CB-CB 3.98Å; A221-L224 WeakPolarHBondContact O-CB 3.41Å; A221-L224 PolarHBondContact O-N 2.67Å; P222-L224 VanDerWaalsContact C-N 3.34Å; L224-R315 HydrophobicContact CD2-CG 4.23Å; L224-L318 HydrophobicContact CD1-CB 4.06Å; L224-L318 HydrophobicContact CD1-CD1 4.01Å; L224-L318 HydrophobicContact CD2-CD1 4.33Å; L224-L318 HydrophobicContact CG-CD1 3.92Å
225	V	98.7	Very high	97.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	135.1	-177.8	-176.3	0	0	0	0	110.6	G200 L214 L217 S218 A221 P222 A227 L318	G200-V225 CarbonylContact O-C 3.52Å; G200-V225 WeakPolarHBondContact O-CA 3.48Å; L214-V225 HydrophobicContact CD1-CG1 3.77Å; L214-V225 HydrophobicContact CD1-CG2 4.22Å; L214-V225 HydrophobicContact CD2-CG1 4.49Å; L214-V225 HydrophobicContact CG-CG1 3.95Å; L217-V225 HydrophobicContact CD2-CG2 3.8Å; L217-V225 HydrophobicContact CG-CG2 4.01Å; S218-V225 WeakPolarHBondContact CA-O 3.41Å; S218-V225 VanDerWaalsContact CB-O 3.31Å; S218-V225 WeakPolarHBondContact CB-O 3.15Å; S218-V225 PolarHBondContact OG-O 2.68Å; A221-V225 PolarHBondContact O-N 3.08Å; A221-V225 VanDerWaalsContact O-N 3.14Å; P222-V225 WeakPolarHBondContact CA-O 3.43Å; V225-A227 HydrophobicContact CG1-CB 3.58Å; V225-L318 HydrophobicContact CG2-CD1 3.7Å
226	D	98.8	Very high	97	Very high	18 Å²	18	68 Å²	68	10%	0.096	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	87.6	168.9	179.3	2.2	0	0	0	108.8	R199 G200 F201 F202 R203 Y258	R199-D226 HydrophobicContact CG-CB 4.29Å; R199-D226 IonicContact CZ-OD2 3.94Å; R199-D226 IonicContact NH2-OD2 2.67Å; R199-D226 PolarHBondContact NH2-OD2 3.28Å; G200-D226 PolarHBondContact O-N 3.17Å; F201-D226 WeakPolarHBondContact CA-O 3.3Å; F201-D226 HydrophobicContact CD2-CB 4.09Å; F201-D226 VanDerWaalsContact CD2-O 3.26Å; F201-D226 WeakPolarHBondContact CD2-O 3.29Å; F202-D226 PolarHBondContact N-O 3.15Å; R203-D226 IonicContact CZ-OD1 3Å; R203-D226 PolarHBondContact NH1-O 3.1Å; R203-D226 VanDerWaalsContact NH1-O 3.08Å; R203-D226 IonicContact NH1-OD1 3.34Å; R203-D226 PolarHBondContact NH1-OD1 2.82Å; R203-D226 IonicContact NH2-OD1 2.81Å; R203-D226 PolarHBondContact NH2-OD1 3.27Å; R203-D226 IonicContact NH2-OD2 3.2Å; D226-Y258 PolarHBondContact OD2-OH 2.75Å
227	A	98.9	Very high	96.9	Very high	2 Å²	2	66.2 Å²	66.2	2%	0.017	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	118.8	-176	0	0	0	0	0	110.9	F202 L214 I215 S218 V225	F202-A227 HydrophobicContact CB-CB 3.84Å; F202-A227 WeakPolarHBondContact O-CA 3.37Å; L214-A227 HydrophobicContact CD2-CB 3.88Å; L214-A227 HydrophobicContact CG-CB 3.83Å; I215-A227 HydrophobicContact CD1-CB 3.83Å; I215-A227 WeakPolarHBondContact CD1-O 3.19Å; S218-A227 WeakPolarHBondContact CB-O 3.32Å; S218-A227 PolarHBondContact OG-N 3.41Å; S218-A227 PolarHBondContact OG-O 3.47Å; V225-A227 HydrophobicContact CG1-CB 3.58Å
228	E	98.8	Very high	96.7	Very high	87 Å²	87	70.2 Å²	70.2	41%	0.407	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.3	-177	-58.9	179.2	152.1	0	0	112.3	F202 R203 A247	F202-E228 PolarHBondContact O-N 2.85Å; R203-E228 IonicContact CZ-OE2 3.07Å; R203-E228 VanDerWaalsContact CZ-OE2 3.3Å; R203-E228 IonicContact NE-OE2 3.93Å; R203-E228 PolarHBondContact NE-OE2 2.89Å; R203-E228 IonicContact NH2-OE1 2.69Å; R203-E228 IonicContact NH2-OE2 3.33Å; R203-E228 PolarHBondContact NH2-OE2 3.29Å; E228-A247 HydrophobicContact CB-CB 3.52Å; E228-A247 HydrophobicContact CG-CB 4.41Å; E228-A247 WeakPolarHBondContact OE2-CB 3.46Å
229	Y	98.8	Very high	96.5	Very high	6 Å²	6	77.4 Å²	77.4	2%	0.024	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.2	175.8	-78.3	-47.7	0	0	0	112.2	G204 R206 R211 D212 I215 L242 A247	G204-Y229 VanDerWaalsContact O-CA 3.29Å; G204-Y229 WeakPolarHBondContact O-CA 3.19Å; G204-Y229 WeakPolarHBondContact O-CD1 3.34Å; R206-Y229 VanDerWaalsContact CA-CE1 3.49Å; R206-Y229 HydrophobicContact CB-CD1 3.87Å; R206-Y229 HydrophobicContact CB-CD2 4.24Å; R206-Y229 HydrophobicContact CB-CE1 3.63Å; R206-Y229 HydrophobicContact CB-CE2 3.98Å; R206-Y229 HydrophobicContact CB-CG 4.19Å; R206-Y229 HydrophobicContact CG-CE1 4.01Å; R206-Y229 HydrophobicContact CG-CE2 3.86Å; R211-Y229 VanDerWaalsContact C-OH 3.31Å; R211-Y229 HydrophobicContact CB-CE1 3.89Å; R211-Y229 WeakPolarHBondContact CB-OH 3.48Å; D212-Y229 PolarHBondContact N-OH 3.4Å; D212-Y229 VanDerWaalsContact N-OH 3.15Å; D212-Y229 WeakPolarHBondContact OD1-CE2 3.48Å; D212-Y229 PolarHBondContact OD1-OH 3.31Å; I215-Y229 HydrophobicContact CB-CD2 4.43Å; I215-Y229 HydrophobicContact CB-CE2 4.18Å; I215-Y229 HydrophobicContact CD1-CD1 4.33Å; I215-Y229 HydrophobicContact CD1-CE1 4.34Å; I215-Y229 HydrophobicContact CD1-CG 4.44Å; I215-Y229 HydrophobicContact CG1-CD1 4.22Å; I215-Y229 HydrophobicContact CG1-CD2 3.87Å; I215-Y229 HydrophobicContact CG1-CE1 3.93Å; I215-Y229 HydrophobicContact CG1-CE2 3.58Å; I215-Y229 HydrophobicContact CG1-CG 4.18Å; I215-Y229 HydrophobicContact CG2-CD2 4.08Å; I215-Y229 HydrophobicContact CG2-CE2 4.28Å; Y229-L242 HydrophobicContact CD2-CB 4.15Å; Y229-L242 HydrophobicContact CE2-CB 4.16Å; Y229-A247 PolarHBondContact O-N 3.15Å
230	T	98.3	Very high	96.4	Very high	12 Å²	12	75.3 Å²	75.3	7%	0.074	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-93.7	174.9	169.6	69	0	0	0	0	111.2	R203 G204 S205 A247	R203-T230 HydrophobicContact CB-CG2 4.34Å; G204-T230 WeakPolarHBondContact CA-OG1 3.41Å; G204-T230 PolarHBondContact O-N 3.14Å; S205-T230 WeakPolarHBondContact CA-O 3.38Å; S205-T230 WeakPolarHBondContact CB-O 3.49Å; S205-T230 PolarHBondContact N-OG1 2.93Å; T230-A247 HydrophobicContact CG2-CB 4.43Å
231	K	96	Very high	96.3	Very high	87 Å²	87	68.7 Å²	68.7	38%	0.378	34%	0.342	S	S	.	.			trans	-78.8	154.3	171.5	-81.5	172.4	163	161.2	0	111.6	W235 P246	K231-W235 HydrophobicContact CB-CB 4.48Å; K231-W235 HydrophobicContact CD-CD2 4.24Å; K231-W235 HydrophobicContact CD-CG 4.37Å; K231-W235 VanDerWaalsContact CE-CD2 3.42Å; K231-W235 VanDerWaalsContact CE-CE2 3.46Å; K231-W235 HydrophobicContact CG-CB 4.18Å; K231-W235 HydrophobicContact CG-CD2 4.12Å; K231-W235 HydrophobicContact CG-CG 3.77Å; K231-P246 HydrophobicContact CD-CB 4.07Å; K231-P246 HydrophobicContact CD-CG 3.83Å; K231-P246 HydrophobicContact CG-CB 3.64Å; K231-P246 HydrophobicContact CG-CG 3.97Å
232	N	93.6	Very high	96.3	Very high	59 Å²	59	69.5 Å²	69.5	32%	0.316	34%	0.344	S	S	.	.			trans	-126.8	175.4	158.9	65.3	32.4	0	0	0	108.9	S205 A234 W235	S205-N232 WeakPolarHBondContact CB-ND2 3.3Å; S205-N232 PolarHBondContact OG-ND2 3.06Å; S205-N232 VanDerWaalsContact OG-ND2 3.14Å; N232-A234 PolarHBondContact O-N 3.5Å; N232-A234 VanDerWaalsContact O-N 3.12Å; N232-A234 WeakPolarHBondContact OD1-CA 3.48Å; N232-A234 WeakPolarHBondContact OD1-CB 3.5Å; N232-A234 PolarHBondContact OD1-N 3.41Å; N232-W235 VanDerWaalsContact O-CB 3.29Å; N232-W235 WeakPolarHBondContact O-CB 3.29Å; N232-W235 PolarHBondContact O-N 3.34Å; N232-W235 VanDerWaalsContact O-N 3.1Å; N232-W235 PolarHBondContact OD1-N 3.12Å; N232-W235 VanDerWaalsContact OD1-N 3.14Å
233	Q	89.4	Confident	96.2	Very high	176 Å²	176	68.6 Å²	68.6	82%	0.822	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.7	-178.1	-64.5	179.6	-7.5	0	0	114
234	A	92.6	Very high	96.2	Very high	73 Å²	73	69.1 Å²	69.1	60%	0.603	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	4	177.9	0	0	0	0	0	113.5	N232 R236	N232-A234 PolarHBondContact O-N 3.5Å; N232-A234 VanDerWaalsContact O-N 3.12Å; N232-A234 WeakPolarHBondContact OD1-CA 3.48Å; N232-A234 WeakPolarHBondContact OD1-CB 3.5Å; N232-A234 PolarHBondContact OD1-N 3.41Å; A234-R236 PolarHBondContact O-N 2.93Å
235	W	93.9	Very high	96.2	Very high	82 Å²	82	72.4 Å²	72.4	31%	0.311	36%	0.361	S	S	.	.			trans	-61.7	132.7	179.1	-178.1	93	0	0	0	111.3	K231 N232 S237 D240	K231-W235 HydrophobicContact CB-CB 4.48Å; K231-W235 HydrophobicContact CD-CD2 4.24Å; K231-W235 HydrophobicContact CD-CG 4.37Å; K231-W235 VanDerWaalsContact CE-CD2 3.42Å; K231-W235 VanDerWaalsContact CE-CE2 3.46Å; K231-W235 HydrophobicContact CG-CB 4.18Å; K231-W235 HydrophobicContact CG-CD2 4.12Å; K231-W235 HydrophobicContact CG-CG 3.77Å; N232-W235 VanDerWaalsContact O-CB 3.29Å; N232-W235 WeakPolarHBondContact O-CB 3.29Å; N232-W235 PolarHBondContact O-N 3.34Å; N232-W235 VanDerWaalsContact O-N 3.1Å; N232-W235 PolarHBondContact OD1-N 3.12Å; N232-W235 VanDerWaalsContact OD1-N 3.14Å; W235-S237 PolarHBondContact NE1-O 3.49Å; W235-D240 HydrophobicContact CG-CB 4.47Å
236	R	94.8	Very high	96.2	Very high	221 Å²	221	74.4 Å²	74.4	83%	0.834	37%	0.374	S	S	*	.			trans	-123.9	-31.1	179.4	-61.9	-175.4	-179	-151.7	-1	113.1	A234 D240	A234-R236 PolarHBondContact O-N 2.93Å; R236-D240 PolarHBondContact N-OD2 2.9Å
237	S	95.9	Very high	96.1	Very high	51 Å²	51	74.2 Å²	74.2	36%	0.357	38%	0.375	S	S	.	.	S	Bend	trans	-159.2	172.3	-176.3	67.5	0	0	0	0	111.9	W235 K239 D240	W235-S237 PolarHBondContact NE1-O 3.49Å; S237-K239 PolarHBondContact O-N 2.78Å; S237-K239 WeakPolarHBondContact OG-CB 3.49Å; S237-K239 PolarHBondContact OG-N 3.06Å; S237-D240 PolarHBondContact N-OD2 3.47Å; S237-D240 VanDerWaalsContact N-OD2 3.12Å; S237-D240 WeakPolarHBondContact O-CB 3.34Å; S237-D240 PolarHBondContact O-N 3.34Å
238	E	95.3	Very high	96.1	Very high	93 Å²	93	82.6 Å²	82.6	44%	0.435	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-62.1	-14.4	174.7	-63.4	-167.4	150.1	0	0	113.8	D240 T241 L242 G243	E238-D240 PolarHBondContact O-N 2.68Å; E238-T241 WeakPolarHBondContact CA-OG1 3.29Å; E238-T241 CarbonylContact O-C 3.43Å; E238-T241 VanDerWaalsContact O-C 3.28Å; E238-T241 PolarHBondContact O-N 2.69Å; E238-T241 PolarHBondContact O-OG1 3.22Å; E238-T241 VanDerWaalsContact O-OG1 3.1Å; E238-L242 PolarHBondContact O-N 2.78Å; E238-L242 VanDerWaalsContact O-N 3.07Å; E238-G243 PolarHBondContact O-N 2.99Å
239	K	95.2	Very high	96	Very high	163 Å²	163	80.8 Å²	80.8	71%	0.709	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-57.9	-33.8	169.6	-172.3	178.8	177.2	179.4	0	111.7	S237 T241 L242	S237-K239 PolarHBondContact O-N 2.78Å; S237-K239 WeakPolarHBondContact OG-CB 3.49Å; S237-K239 PolarHBondContact OG-N 3.06Å; K239-T241 PolarHBondContact O-N 3.46Å; K239-L242 PolarHBondContact O-N 3.09Å
240	D	95.1	Very high	96	Very high	51 Å²	51	82.9 Å²	82.9	27%	0.273	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-74.3	-10.4	178.8	-56	-44.9	0	0	0	112.6	R206 W235 R236 S237 E238	R206-D240 WeakPolarHBondContact CB-O 3.12Å; W235-D240 HydrophobicContact CG-CB 4.47Å; R236-D240 PolarHBondContact N-OD2 2.9Å; S237-D240 PolarHBondContact N-OD2 3.47Å; S237-D240 VanDerWaalsContact N-OD2 3.12Å; S237-D240 WeakPolarHBondContact O-CB 3.34Å; S237-D240 PolarHBondContact O-N 3.34Å; E238-D240 PolarHBondContact O-N 2.68Å
241	T	97.6	Very high	96	Very high	2 Å²	2	84 Å²	84	1%	0.012	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-120.7	22.7	174.7	46.2	0	0	0	0	111.2	R219 E238 K239 G243 R244 P246	R219-T241 PolarHBondContact NH2-O 3.02Å; E238-T241 WeakPolarHBondContact CA-OG1 3.29Å; E238-T241 CarbonylContact O-C 3.43Å; E238-T241 VanDerWaalsContact O-C 3.28Å; E238-T241 PolarHBondContact O-N 2.69Å; E238-T241 PolarHBondContact O-OG1 3.22Å; E238-T241 VanDerWaalsContact O-OG1 3.1Å; K239-T241 PolarHBondContact O-N 3.46Å; T241-G243 PolarHBondContact O-N 3.41Å; T241-R244 VanDerWaalsContact CB-O 3.25Å; T241-R244 WeakPolarHBondContact CB-O 3.36Å; T241-R244 PolarHBondContact O-N 3.47Å; T241-R244 PolarHBondContact OG1-O 2.53Å; T241-P246 HydrophobicContact CG2-CB 4.02Å
242	L	97.1	Very high	96.1	Very high	40 Å²	40	80.6 Å²	80.6	21%	0.209	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	43.6	174.7	-148.2	83.2	0	0	0	112.9	D212 L216 R219 Y229 E238 K239	D212-L242 HydrophobicContact CB-CD1 4.4Å; L216-L242 HydrophobicContact CD1-CD2 4.33Å; L216-L242 HydrophobicContact CD2-CD2 3.46Å; L216-L242 VanDerWaalsContact CD2-CD2 3.46Å; L216-L242 HydrophobicContact CG-CD2 3.72Å; R219-L242 PolarHBondContact NH1-O 3.24Å; R219-L242 PolarHBondContact NH2-O 3.46Å; Y229-L242 HydrophobicContact CD2-CB 4.15Å; Y229-L242 HydrophobicContact CE2-CB 4.16Å; E238-L242 PolarHBondContact O-N 2.78Å; E238-L242 VanDerWaalsContact O-N 3.07Å; K239-L242 PolarHBondContact O-N 3.09Å
243	G	97.2	Very high	96.3	Very high	50 Å²	50	79.3 Å²	79.3	52%	0.515	40%	0.401	S	S	.	.	S	Bend	trans	75.8	23.7	175.4	0	0	0	0	0	115.1	E238 T241	E238-G243 PolarHBondContact O-N 2.99Å; T241-G243 PolarHBondContact O-N 3.41Å
244	R	96.8	Very high	96.8	Very high	155 Å²	155	74.7 Å²	74.7	59%	0.585	38%	0.382	S	S	*	.	S	Bend	trans	-131.1	157.1	174.8	-67.3	-66.5	-172.5	173	0.9	110.6	R219 T241	R219-R244 VanDerWaalsContact NH2-CG 3.29Å; T241-R244 VanDerWaalsContact CB-O 3.25Å; T241-R244 WeakPolarHBondContact CB-O 3.36Å; T241-R244 PolarHBondContact O-N 3.47Å; T241-R244 PolarHBondContact OG1-O 2.53Å
245	P	97.6	Very high	97.1	Very high	92 Å²	92	71.4 Å²	71.4	60%	0.597	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-54.7	145.8	167.8	-25.6	35	0	0	0	111.2
246	P	97.5	Very high	97.3	Very high	42 Å²	42	67.5 Å²	67.5	27%	0.273	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-63.5	138.3	176.2	31	-40	0	0	0	111.4	K231 T241	K231-P246 HydrophobicContact CD-CB 4.07Å; K231-P246 HydrophobicContact CD-CG 3.83Å; K231-P246 HydrophobicContact CG-CB 3.64Å; K231-P246 HydrophobicContact CG-CG 3.97Å; T241-P246 HydrophobicContact CG2-CB 4.02Å
247	A	98.1	Very high	97.5	Very high	14 Å²	14	59.9 Å²	59.9	12%	0.116	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-68.9	156.3	167.3	0	0	0	0	0	111	E228 Y229 T230	E228-A247 HydrophobicContact CB-CB 3.52Å; E228-A247 HydrophobicContact CG-CB 4.41Å; E228-A247 WeakPolarHBondContact OE2-CB 3.46Å; Y229-A247 PolarHBondContact O-N 3.15Å; T230-A247 HydrophobicContact CG2-CB 4.43Å
248	K	97.8	Very high	97.6	Very high	178 Å²	178	57.9 Å²	57.9	77%	0.774	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-66.2	143.6	170.2	-65.9	-176.8	-179.1	-179.9	0	110.2
249	E	97.5	Very high	97.8	Very high	50 Å²	50	54.3 Å²	54.3	23%	0.234	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-63.9	136.5	170	-62.1	71	-157.4	0	0	109.6	V166 I169	V166-E249 HydrophobicContact CG1-CB 4.07Å; V166-E249 HydrophobicContact CG1-CG 3.5Å; I169-E249 HydrophobicContact CD1-CB 3.99Å; I169-E249 HydrophobicContact CG1-CB 4.29Å; I169-E249 HydrophobicContact CG2-CB 4.46Å
250	I	98.2	Very high	98	Very high	49 Å²	49	46.7 Å²	46.7	25%	0.251	25%	0.247	S	C	.	.			trans	-117.3	126.8	178.1	-63.4	-168.9	0	0	0	107.9	F201 R203 D254 H255	F201-I250 HydrophobicContact CZ-CD1 4Å; F201-I250 HydrophobicContact CZ-CG2 4.48Å; R203-I250 HydrophobicContact CB-CB 4.44Å; R203-I250 HydrophobicContact CG-CB 4.19Å; R203-I250 HydrophobicContact CG-CD1 3.88Å; R203-I250 HydrophobicContact CG-CG1 4.03Å; I250-D254 HydrophobicContact CG2-CB 3.62Å; I250-H255 PolarHBondContact O-CE1 2.77Å; I250-H255 VanDerWaalsContact O-CE1 3.3Å
251	P	98.3	Very high	98.2	Very high	37 Å²	37	44.2 Å²	44.2	24%	0.24	23%	0.234	C	C	.	.			trans	-54.4	149.4	172.9	-24.8	33.2	0	0	0	112.3	I169 V253 D254 H255	I169-P251 HydrophobicContact CB-CG 4.33Å; I169-P251 HydrophobicContact CG2-CG 3.73Å; P251-V253 HydrophobicContact CB-CG2 3.88Å; P251-V253 PolarHBondContact O-N 3.23Å; P251-D254 WeakPolarHBondContact CD-OD2 3.25Å; P251-D254 PolarHBondContact O-N 3.2Å; P251-D254 VanDerWaalsContact O-N 3.08Å; P251-H255 PolarHBondContact O-CE1 3.39Å; P251-H255 PolarHBondContact O-ND1 3.44Å
252	L	98.6	Very high	98.2	Very high	14 Å²	14	44.2 Å²	44.2	7%	0.073	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-63.9	-33	-178.6	-74.7	164.5	0	0	0	112	Y170 L174 L184 D254 H255 H275	Y170-L252 WeakPolarHBondContact OH-CB 3.38Å; Y170-L252 WeakPolarHBondContact OH-CD1 3.36Å; Y170-L252 VanDerWaalsContact OH-CG 3.3Å; Y170-L252 WeakPolarHBondContact OH-CG 3.12Å; Y170-L252 PolarHBondContact OH-N 3.24Å; L174-L252 HydrophobicContact CD1-CD1 4.17Å; L184-L252 HydrophobicContact CD2-CB 4.34Å; L252-D254 PolarHBondContact O-N 3.39Å; L252-H255 VanDerWaalsContact O-CB 3.26Å; L252-H255 WeakPolarHBondContact O-CB 3.29Å; L252-H255 PolarHBondContact O-N 3.05Å; L252-H255 VanDerWaalsContact O-N 3.09Å; L252-H275 HydrophobicContact CD1-CB 3.89Å; L252-H275 HydrophobicContact CD2-CB 4.2Å; L252-H275 HydrophobicContact CG-CB 4.46Å
253	V	98.6	Very high	98.3	Very high	32 Å²	32	42.4 Å²	42.4	19%	0.194	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-60	-33	174.6	-64.3	0	0	0	0	112.9	E183 L184 S187 P251 H255 C256	E183-V253 HydrophobicContact CB-CG1 3.84Å; L184-V253 HydrophobicContact CD2-CG1 4.18Å; L184-V253 HydrophobicContact CG-CG1 4.39Å; S187-V253 PolarHBondContact OG-O 3.06Å; P251-V253 HydrophobicContact CB-CG2 3.88Å; P251-V253 PolarHBondContact O-N 3.23Å; V253-H255 VanDerWaalsContact C-N 3.25Å; V253-H255 PolarHBondContact O-N 2.79Å; V253-C256 WeakPolarHBondContact O-CB 3.24Å; V253-C256 PolarHBondContact O-N 3.26Å; V253-C256 PolarHBondContact O-SG 3.28Å; V253-C256 VanDerWaalsContact O-SG 3.35Å
254	D	98.7	Very high	98.4	Very high	80 Å²	80	40 Å²	40	43%	0.428	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-80.2	-9	-179.9	-67.4	-23.9	0	0	0	112.6	I250 P251 L252 C256	I250-D254 HydrophobicContact CG2-CB 3.62Å; P251-D254 WeakPolarHBondContact CD-OD2 3.25Å; P251-D254 PolarHBondContact O-N 3.2Å; P251-D254 VanDerWaalsContact O-N 3.08Å; L252-D254 PolarHBondContact O-N 3.39Å; D254-C256 PolarHBondContact O-N 3.39Å
255	H	98.8	Very high	98.5	Very high	4 Å²	4	35 Å²	35	2%	0.019	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-70.7	-25.3	171	-65.9	40.2	0	0	0	111.1	F201 I250 P251 L252 V253 K257 Y258 L261	F201-H255 HydrophobicContact CD1-CB 4.33Å; F201-H255 AromaticContact CD1-CD2 3.85Å; F201-H255 HydrophobicContact CE1-CB 4.13Å; F201-H255 AromaticContact CE1-CD2 3.47Å; F201-H255 VanDerWaalsContact CE1-CD2 3.47Å; F201-H255 WeakPolarHBondContact CE1-CD2 3.47Å; F201-H255 AromaticContact CE1-CE1 3.88Å; F201-H255 AromaticContact CE1-CG 3.58Å; F201-H255 AromaticContact CE1-ND1 3.85Å; F201-H255 AromaticContact CE1-NE2 3.68Å; I250-H255 PolarHBondContact O-CE1 2.77Å; I250-H255 VanDerWaalsContact O-CE1 3.3Å; P251-H255 PolarHBondContact O-CE1 3.39Å; P251-H255 PolarHBondContact O-ND1 3.44Å; L252-H255 VanDerWaalsContact O-CB 3.26Å; L252-H255 WeakPolarHBondContact O-CB 3.29Å; L252-H255 PolarHBondContact O-N 3.05Å; L252-H255 VanDerWaalsContact O-N 3.09Å; V253-H255 VanDerWaalsContact C-N 3.25Å; V253-H255 PolarHBondContact O-N 2.79Å; H255-K257 PolarHBondContact O-N 3.09Å; H255-Y258 PolarHBondContact O-N 3.28Å; H255-L261 HydrophobicContact CB-CD1 4.28Å; H255-L261 HydrophobicContact CB-CD2 4.1Å
256	C	98.9	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-66.4	-10.7	-170.4	-54.6	0	0	0	0	114.4	S187 W191 K196 V253 D254 Y258 C279	S187-C256 WeakPolarHBondContact OG-CB 3.49Å; W191-C256 WeakPolarHBondContact CB-O 3.07Å; K196-C256 PolarHBondContact NZ-O 3.3Å; V253-C256 WeakPolarHBondContact O-CB 3.24Å; V253-C256 PolarHBondContact O-N 3.26Å; V253-C256 PolarHBondContact O-SG 3.28Å; V253-C256 VanDerWaalsContact O-SG 3.35Å; D254-C256 PolarHBondContact O-N 3.39Å; C256-Y258 VanDerWaalsContact C-N 3.28Å; C256-Y258 PolarHBondContact O-N 3.4Å; C256-C279 WeakPolarHBondContact CA-SG 3.09Å; C256-C279 HydrophobicContact CB-CB 3.48Å; C256-C279 VanDerWaalsContact CB-CB 3.48Å; C256-C279 WeakPolarHBondContact CB-SG 3.44Å; C256-C279 PolarHBondContact N-SG 2.66Å; C256-C279 WeakPolarHBondContact SG-CA 3.44Å; C256-C279 WeakPolarHBondContact SG-CB 3.41Å; C256-C279 CovalentContact SG-SG 2.05Å; C256-C279 PolarHBondContact SG-SG 2.88Å
257	K	98.8	Very high	98.5	Very high	61 Å²	61	31.8 Å²	31.8	27%	0.265	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-74.4	-12.8	173.5	73	-180	-176.2	139.2	0	114.1	W191 K196 E197 H255	W191-K257 HydrophobicContact CD2-CB 3.52Å; W191-K257 VanDerWaalsContact CE2-CB 3.48Å; W191-K257 HydrophobicContact CE3-CB 3.76Å; W191-K257 HydrophobicContact CG-CB 4.07Å; W191-K257 HydrophobicContact CH2-CB 3.94Å; W191-K257 HydrophobicContact CZ2-CB 3.72Å; W191-K257 HydrophobicContact CZ2-CD 4.5Å; W191-K257 HydrophobicContact CZ3-CB 3.95Å; K196-K257 CarbonylContact C-O 3.42Å; K196-K257 WeakPolarHBondContact CA-O 3.41Å; K196-K257 WeakPolarHBondContact CB-O 3.27Å; E197-K257 PolarHBondContact N-O 3.43Å; E197-K257 IonicContact OE1-NZ 3.15Å; E197-K257 PolarHBondContact OE1-NZ 3.01Å; H255-K257 PolarHBondContact O-N 3.09Å
258	Y	98.9	Very high	98.5	Very high	8 Å²	8	31.2 Å²	31.2	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	142	-179.9	-62	-89.1	0	0	0	111.6	E197 F201 D226 H255 C256 S281	E197-Y258 HydrophobicContact CB-CD1 3.9Å; E197-Y258 HydrophobicContact CB-CE1 4.38Å; E197-Y258 WeakPolarHBondContact OE2-CE1 3.49Å; F201-Y258 HydrophobicContact CB-CD1 3.72Å; F201-Y258 HydrophobicContact CB-CD2 3.81Å; F201-Y258 HydrophobicContact CB-CE1 4.23Å; F201-Y258 HydrophobicContact CB-CE2 4.31Å; F201-Y258 HydrophobicContact CB-CG 3.47Å; F201-Y258 VanDerWaalsContact CB-CG 3.47Å; F201-Y258 AromaticContact CD1-CD2 3.55Å; F201-Y258 HydrophobicContact CD1-CD2 3.55Å; F201-Y258 AromaticContact CD1-CE2 3.8Å; F201-Y258 HydrophobicContact CD1-CE2 3.8Å; F201-Y258 HydrophobicContact CD1-CG 4.14Å; F201-Y258 AromaticContact CD2-CD1 3.96Å; F201-Y258 HydrophobicContact CD2-CD1 3.96Å; F201-Y258 AromaticContact CD2-CD2 3.66Å; F201-Y258 HydrophobicContact CD2-CD2 3.66Å; F201-Y258 AromaticContact CD2-CE1 3.59Å; F201-Y258 HydrophobicContact CD2-CE1 3.59Å; F201-Y258 AromaticContact CD2-CE2 3.26Å; F201-Y258 HydrophobicContact CD2-CE2 3.26Å; F201-Y258 AromaticContact CD2-CG 3.98Å; F201-Y258 HydrophobicContact CD2-CG 3.98Å; F201-Y258 AromaticContact CD2-CZ 3.23Å; F201-Y258 AromaticContact CE1-CD2 3.95Å; F201-Y258 HydrophobicContact CE1-CD2 3.95Å; F201-Y258 AromaticContact CE1-CE2 3.81Å; F201-Y258 HydrophobicContact CE1-CE2 3.81Å; F201-Y258 HydrophobicContact CE2-CD2 4.05Å; F201-Y258 HydrophobicContact CE2-CE1 4.2Å; F201-Y258 AromaticContact CE2-CE2 3.29Å; F201-Y258 HydrophobicContact CE2-CE2 3.29Å; F201-Y258 AromaticContact CE2-CZ 3.38Å; F201-Y258 WeakPolarHBondContact CE2-OH 3.15Å; F201-Y258 AromaticContact CG-CD1 3.96Å; F201-Y258 HydrophobicContact CG-CD1 3.96Å; F201-Y258 AromaticContact CG-CD2 3.37Å; F201-Y258 HydrophobicContact CG-CD2 3.37Å; F201-Y258 HydrophobicContact CG-CE1 4.08Å; F201-Y258 AromaticContact CG-CE2 3.52Å; F201-Y258 HydrophobicContact CG-CE2 3.52Å; F201-Y258 AromaticContact CG-CG 3.6Å; F201-Y258 HydrophobicContact CG-CG 3.6Å; F201-Y258 AromaticContact CG-CZ 3.88Å; F201-Y258 HydrophobicContact CZ-CD2 4.18Å; F201-Y258 AromaticContact CZ-CE2 3.56Å; F201-Y258 HydrophobicContact CZ-CE2 3.56Å; D226-Y258 PolarHBondContact OD2-OH 2.75Å; H255-Y258 PolarHBondContact O-N 3.28Å; C256-Y258 VanDerWaalsContact C-N 3.28Å; C256-Y258 PolarHBondContact O-N 3.4Å; Y258-S281 VanDerWaalsContact O-CB 3.31Å; Y258-S281 WeakPolarHBondContact O-CB 3.48Å; Y258-S281 PolarHBondContact O-OG 3.01Å
259	K	98.9	Very high	98.6	Very high	19 Å²	19	23.2 Å²	23.2	8%	0.083	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-38.3	178	-77.9	-168.7	171.9	-172.6	0	112.8	W193 K196 E197 A198 L282 D325	W193-K259 HydrophobicContact CH2-CB 4.42Å; W193-K259 HydrophobicContact CH2-CD 4.41Å; W193-K259 HydrophobicContact CH2-CG 4.48Å; W193-K259 HydrophobicContact CZ2-CD 4Å; W193-K259 WeakPolarHBondContact O-CE 3.32Å; K196-K259 HydrophobicContact CB-CB 4.34Å; K196-K259 HydrophobicContact CB-CG 3.43Å; K196-K259 VanDerWaalsContact CB-CG 3.43Å; K196-K259 HydrophobicContact CD-CG 4.32Å; E197-K259 WeakPolarHBondContact O-CB 3.43Å; E197-K259 PolarHBondContact O-N 2.81Å; A198-K259 HydrophobicContact CB-CD 4.14Å; K259-L282 PolarHBondContact O-N 3.36Å; K259-D325 VanDerWaalsContact NZ-CG 3.33Å; K259-D325 IonicContact NZ-OD1 2.67Å; K259-D325 PolarHBondContact NZ-OD1 3.19Å; K259-D325 IonicContact NZ-OD2 3.28Å; K259-D325 PolarHBondContact NZ-OD2 3.14Å
260	Y	98.9	Very high	98.6	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	106.5	-166.7	-42.8	-51.5	0	0	0	109.9	W193 A198 G200 F201 L282 F284 L318 V321 K322	W193-Y260 HydrophobicContact CH2-CE1 4.47Å; A198-Y260 VanDerWaalsContact C-CE2 3.48Å; A198-Y260 HydrophobicContact CB-CE2 4.22Å; G200-Y260 CarbonylContact C-O 3.55Å; F201-Y260 PolarHBondContact N-O 2.68Å; Y260-L282 WeakPolarHBondContact CA-O 3.33Å; Y260-L282 HydrophobicContact CD1-CB 4.28Å; Y260-L282 HydrophobicContact CD1-CD2 4.43Å; Y260-F284 AromaticContact CD1-CE2 3.99Å; Y260-F284 HydrophobicContact CD1-CE2 3.99Å; Y260-F284 HydrophobicContact CG-CE2 4.1Å; Y260-L318 HydrophobicContact CD2-CD2 3.89Å; Y260-L318 HydrophobicContact CG-CD2 4.17Å; Y260-V321 HydrophobicContact CD1-CG2 3.92Å; Y260-V321 HydrophobicContact CE1-CB 4.16Å; Y260-V321 HydrophobicContact CE1-CG2 3.51Å; Y260-V321 HydrophobicContact CE2-CG2 4.3Å; Y260-V321 HydrophobicContact CG-CG2 4.48Å; Y260-K322 HydrophobicContact CE2-CG 4.07Å; Y260-K322 WeakPolarHBondContact OH-CG 3.32Å
261	L	99	Very high	98.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.6	-174.6	-62.1	-177.7	0	0	0	110.9	F201 H255 L276 C279 L282 V283 F284	F201-L261 HydrophobicContact CB-CD2 4.06Å; F201-L261 HydrophobicContact CD1-CD2 3.89Å; F201-L261 HydrophobicContact CG-CD2 4.46Å; H255-L261 HydrophobicContact CB-CD1 4.28Å; H255-L261 HydrophobicContact CB-CD2 4.1Å; L261-L276 HydrophobicContact CB-CB 4.15Å; L261-L276 HydrophobicContact CB-CD1 4Å; L261-L276 HydrophobicContact CB-CD2 4.17Å; L261-L276 HydrophobicContact CB-CG 4.32Å; L261-L276 HydrophobicContact CD1-CB 4.05Å; L261-L276 HydrophobicContact CD1-CD2 4.02Å; L261-C279 HydrophobicContact CD1-CB 4Å; L261-L282 PolarHBondContact N-O 3.21Å; L261-V283 WeakPolarHBondContact O-CA 3.34Å; L261-F284 PolarHBondContact O-N 2.77Å
262	F	98.9	Very high	98.7	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.009	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.7	-178.4	-76.9	-98.7	0	0	0	112.8	F201 F202 L214 F264 F284 V286 V307 V314 L318	F201-F262 PolarHBondContact O-N 2.78Å; F201-F262 VanDerWaalsContact O-N 3.09Å; F202-F262 HydrophobicContact CB-CB 4.41Å; L214-F262 HydrophobicContact CD1-CD1 4.15Å; L214-F262 HydrophobicContact CD1-CD2 4.38Å; L214-F262 HydrophobicContact CD1-CE1 3.95Å; L214-F262 HydrophobicContact CD1-CE2 4.2Å; L214-F262 HydrophobicContact CD1-CG 4.37Å; L214-F262 HydrophobicContact CD1-CZ 3.98Å; L214-F262 HydrophobicContact CD2-CB 3.76Å; L214-F262 HydrophobicContact CD2-CD1 3.89Å; L214-F262 HydrophobicContact CD2-CD2 3.97Å; L214-F262 HydrophobicContact CD2-CG 3.59Å; F262-F264 HydrophobicContact CB-CD2 4.34Å; F262-F264 HydrophobicContact CB-CE2 3.71Å; F262-F264 HydrophobicContact CD1-CE2 4.29Å; F262-F264 HydrophobicContact CD1-CZ 4.37Å; F262-F264 HydrophobicContact CG-CE2 4.38Å; F262-F284 CarbonylContact C-O 3.55Å; F262-F284 WeakPolarHBondContact CA-O 3.34Å; F262-F284 HydrophobicContact CD1-CB 3.62Å; F262-F284 HydrophobicContact CD1-CG 4.44Å; F262-F284 HydrophobicContact CD2-CB 4.33Å; F262-F284 HydrophobicContact CE1-CB 3.63Å; F262-F284 AromaticContact CE1-CD1 3.92Å; F262-F284 HydrophobicContact CE1-CD1 3.92Å; F262-F284 HydrophobicContact CE1-CG 4Å; F262-F284 HydrophobicContact CE2-CB 4.33Å; F262-F284 HydrophobicContact CE2-CG 4.31Å; F262-F284 HydrophobicContact CG-CB 3.99Å; F262-F284 HydrophobicContact CZ-CB 3.99Å; F262-F284 AromaticContact CZ-CD1 3.83Å; F262-F284 HydrophobicContact CZ-CD1 3.83Å; F262-F284 HydrophobicContact CZ-CE1 4.49Å; F262-F284 AromaticContact CZ-CG 3.92Å; F262-F284 HydrophobicContact CZ-CG 3.92Å; F262-V286 HydrophobicContact CD1-CG2 4.24Å; F262-V307 HydrophobicContact CE1-CG2 4.44Å; F262-V314 HydrophobicContact CE1-CG2 3.54Å; F262-V314 HydrophobicContact CZ-CG2 3.56Å; F262-L318 HydrophobicContact CE2-CD2 4.27Å; F262-L318 HydrophobicContact CZ-CD1 4.25Å; F262-L318 HydrophobicContact CZ-CD2 4.23Å; F262-L318 HydrophobicContact CZ-CG 4.35Å
263	N	98.9	Very high	98.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	140.1	168.5	-177.2	64.2	0	0	0	111.2	L273 L276 V283 F284 H285 V286	N263-L273 HydrophobicContact CB-CD1 3.71Å; N263-L273 PolarHBondContact OD1-N 3.41Å; N263-L276 HydrophobicContact CB-CD1 3.89Å; N263-V283 HydrophobicContact CB-CG1 4.43Å; N263-F284 PolarHBondContact N-O 3.16Å; N263-H285 PolarHBondContact ND2-CE1 3.21Å; N263-H285 VanDerWaalsContact ND2-CE1 3.33Å; N263-H285 PolarHBondContact ND2-ND1 2.95Å; N263-H285 VanDerWaalsContact ND2-ND1 3.19Å; N263-V286 PolarHBondContact O-N 2.95Å
264	F	98.9	Very high	98.7	Very high	1 Å²	1	18.2 Å²	18.2	0%	0.004	9%	0.092	C	C	.	.			trans	-137.5	155	176.9	-66.9	-101	0	0	0	109.9	F202 E210 R211 L214 F262 S270 V286 L311	F202-F264 HydrophobicContact CD2-CD2 4.03Å; F202-F264 HydrophobicContact CD2-CE2 4.18Å; F202-F264 AromaticContact CE2-CD2 3.9Å; F202-F264 HydrophobicContact CE2-CD2 3.9Å; F202-F264 HydrophobicContact CE2-CE2 4.43Å; E210-F264 WeakPolarHBondContact O-CE1 3.43Å; R211-F264 HydrophobicContact CB-CD1 4.39Å; R211-F264 HydrophobicContact CG-CB 3.67Å; R211-F264 HydrophobicContact CG-CD1 3.72Å; R211-F264 HydrophobicContact CG-CD2 4.06Å; R211-F264 HydrophobicContact CG-CE1 4.3Å; R211-F264 HydrophobicContact CG-CG 3.58Å; L214-F264 HydrophobicContact CB-CE2 4.44Å; L214-F264 HydrophobicContact CB-CZ 3.78Å; L214-F264 HydrophobicContact CD2-CE2 3.52Å; L214-F264 HydrophobicContact CD2-CZ 3.63Å; L214-F264 HydrophobicContact CG-CZ 4.26Å; F262-F264 HydrophobicContact CB-CD2 4.34Å; F262-F264 HydrophobicContact CB-CE2 3.71Å; F262-F264 HydrophobicContact CD1-CE2 4.29Å; F262-F264 HydrophobicContact CD1-CZ 4.37Å; F262-F264 HydrophobicContact CG-CE2 4.38Å; F264-S270 WeakPolarHBondContact O-CB 3.39Å; F264-V286 HydrophobicContact CD1-CB 3.69Å; F264-V286 HydrophobicContact CD1-CG1 3.78Å; F264-V286 HydrophobicContact CD1-CG2 3.85Å; F264-V286 HydrophobicContact CE1-CB 3.85Å; F264-V286 HydrophobicContact CE1-CG1 3.82Å; F264-V286 HydrophobicContact CE1-CG2 3.53Å; F264-V286 HydrophobicContact CE2-CG2 4.27Å; F264-V286 HydrophobicContact CG-CB 4.25Å; F264-V286 HydrophobicContact CG-CG2 4.35Å; F264-V286 HydrophobicContact CZ-CB 4.48Å; F264-V286 HydrophobicContact CZ-CG2 3.73Å; F264-L311 HydrophobicContact CE1-CD1 3.76Å; F264-L311 HydrophobicContact CE1-CD2 4.19Å; F264-L311 HydrophobicContact CZ-CD1 4.37Å; F264-L311 HydrophobicContact CZ-CD2 4.05Å
265	R	98.7	Very high	98.7	Very high	49 Å²	49	14.6 Å²	14.6	19%	0.185	7%	0.072	C	C	.	.			trans	-57.7	159.1	160.1	65.1	155.4	-66.8	179.7	4.6	111.9	E210 R211 V267 A268 W290	E210-R265 WeakPolarHBondContact OE1-CD 3.37Å; E210-R265 IonicContact OE1-NH1 3.03Å; E210-R265 VanDerWaalsContact OE2-CD 3.25Å; E210-R265 WeakPolarHBondContact OE2-CD 3.4Å; E210-R265 VanDerWaalsContact OE2-CG 3.24Å; E210-R265 WeakPolarHBondContact OE2-CG 3.48Å; R211-R265 VanDerWaalsContact CZ-O 3.29Å; R211-R265 PolarHBondContact NE-O 3.31Å; R211-R265 PolarHBondContact NH2-O 3.08Å; R265-V267 PolarHBondContact NH2-O 3.27Å; R265-A268 WeakPolarHBondContact CA-O 3.28Å; R265-W290 HydrophobicContact CB-CB 4.32Å; R265-W290 HydrophobicContact CB-CG 4.16Å
266	G	97.3	Very high	98.7	Very high	5 Å²	5	14.6 Å²	14.6	5%	0.052	7%	0.072	C	C	.	.	S	Bend	trans	-117.9	-125	165.4	0	0	0	0	0	109.5	T207 A268	T207-G266 CarbonylContact O-C 3.08Å; T207-G266 VanDerWaalsContact OG1-CA 3.25Å; T207-G266 WeakPolarHBondContact OG1-CA 3.2Å; G266-A268 VanDerWaalsContact C-N 3.25Å; G266-A268 CarbonylContact C-O 3.55Å; G266-A268 PolarHBondContact N-O 3.01Å; G266-A268 PolarHBondContact O-N 3.34Å
267	V	97.9	Very high	98.7	Very high	61 Å²	61	14.6 Å²	14.6	37%	0.37	7%	0.072	S	C	.	.	S	Bend	trans	-58.5	-42.8	167.7	177	0	0	0	0	110.3	D126 Y127 R265	D126-V267 HydrophobicContact CB-CB 4.02Å; D126-V267 HydrophobicContact CB-CG1 3.63Å; Y127-V267 HydrophobicContact CD2-CG1 3.99Å; R265-V267 PolarHBondContact NH2-O 3.27Å
268	A	98.4	Very high	98.7	Very high	3 Å²	3	11.7 Å²	11.7	3%	0.025	6%	0.06	C	C	.	.	S	Bend	trans	-133.6	-148.2	169.7	0	0	0	0	0	109.7	D126 F143 R265 G266 W290	D126-A268 WeakPolarHBondContact O-CB 3.16Å; F143-A268 HydrophobicContact CE1-CB 4.32Å; F143-A268 HydrophobicContact CZ-CB 4.07Å; R265-A268 WeakPolarHBondContact CA-O 3.28Å; G266-A268 VanDerWaalsContact C-N 3.25Å; G266-A268 CarbonylContact C-O 3.55Å; G266-A268 PolarHBondContact N-O 3.01Å; G266-A268 PolarHBondContact O-N 3.34Å; A268-W290 VanDerWaalsContact CA-CE3 3.42Å; A268-W290 HydrophobicContact CB-CD2 4.31Å; A268-W290 HydrophobicContact CB-CE3 3.5Å; A268-W290 HydrophobicContact CB-CH2 4.2Å; A268-W290 HydrophobicContact CB-CZ3 3.44Å; A268-W290 VanDerWaalsContact CB-CZ3 3.44Å
269	A	98.7	Very high	98.7	Very high	10 Å²	10	11.4 Å²	11.4	8%	0.083	6%	0.059	C	C	.	.	S	Bend	trans	-57.5	153.4	168.6	0	0	0	0	0	111.7	F143 S144 W290 E292 Y295	F143-A269 HydrophobicContact CE2-CB 4.5Å; S144-A269 WeakPolarHBondContact OG-CB 3.46Å; S144-A269 PolarHBondContact OG-N 3.35Å; S144-A269 VanDerWaalsContact OG-N 3.09Å; A269-W290 HydrophobicContact CB-CB 4.27Å; A269-E292 HydrophobicContact CB-CG 3.7Å; A269-Y295 HydrophobicContact CB-CE2 4.14Å
270	S	98.7	Very high	98.7	Very high	19 Å²	19	11 Å²	11	13%	0.133	6%	0.061	C	C	.	.			trans	-108.1	127.9	-177.2	-171.9	0	0	0	0	111.8	F264 R272 L273 Y295	F264-S270 WeakPolarHBondContact O-CB 3.39Å; S270-R272 PolarHBondContact O-N 3.44Å; S270-R272 PolarHBondContact OG-N 2.93Å; S270-L273 PolarHBondContact O-N 3.43Å; S270-L273 VanDerWaalsContact O-N 3.15Å; S270-Y295 PolarHBondContact O-OH 2.92Å
271	F	98.8	Very high	98.7	Very high	18 Å²	18	11 Å²	11	8%	0.079	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-17.3	173.9	-55.7	-35.6	0	0	0	114.6	F143 A156 W157 T158 P164 L174 L273 K274 H275	F143-F271 AromaticContact CD2-CE1 3.64Å; F143-F271 HydrophobicContact CD2-CE1 3.64Å; F143-F271 HydrophobicContact CD2-CZ 4.34Å; F143-F271 HydrophobicContact CE2-CD1 4.13Å; F143-F271 AromaticContact CE2-CE1 3.37Å; F143-F271 HydrophobicContact CE2-CE1 3.37Å; F143-F271 HydrophobicContact CE2-CZ 4.05Å; F143-F271 HydrophobicContact CG-CE1 4.46Å; F143-F271 HydrophobicContact CZ-CE1 4.02Å; F143-F271 HydrophobicContact CZ-CZ 4.28Å; A156-F271 HydrophobicContact CB-CE1 3.67Å; A156-F271 HydrophobicContact CB-CZ 4.22Å; W157-F271 AromaticContact CE2-CZ 3.92Å; W157-F271 HydrophobicContact CZ2-CE2 4.48Å; W157-F271 AromaticContact CZ2-CZ 3.83Å; W157-F271 HydrophobicContact CZ2-CZ 3.83Å; W157-F271 AromaticContact NE1-CZ 3.87Å; T158-F271 HydrophobicContact CG2-CB 4.31Å; T158-F271 HydrophobicContact CG2-CD1 3.63Å; T158-F271 HydrophobicContact CG2-CD2 3.96Å; T158-F271 HydrophobicContact CG2-CE1 3.79Å; T158-F271 HydrophobicContact CG2-CE2 4.13Å; T158-F271 HydrophobicContact CG2-CG 3.71Å; T158-F271 HydrophobicContact CG2-CZ 4.05Å; P164-F271 HydrophobicContact CG-CD2 4.27Å; L174-F271 HydrophobicContact CD2-CB 4.24Å; F271-L273 VanDerWaalsContact C-N 3.28Å; F271-L273 PolarHBondContact O-N 3.23Å; F271-K274 PolarHBondContact O-NZ 2.95Å; F271-H275 PolarHBondContact O-CE1 2.78Å; F271-H275 PolarHBondContact O-ND1 3.03Å
272	R	98.8	Very high	98.7	Very high	38 Å²	38	11 Å²	11	14%	0.143	6%	0.06	C	C	.	.	H	α-helix	trans	-56.1	-40.5	176.3	176.5	179.5	-73.2	88.3	4	111.9	R203 S270 K274 H275 L276	R203-R272 PolarHBondContact O-NH2 3.46Å; S270-R272 PolarHBondContact O-N 3.44Å; S270-R272 PolarHBondContact OG-N 2.93Å; R272-K274 PolarHBondContact O-N 2.89Å; R272-H275 WeakPolarHBondContact O-CB 3.41Å; R272-H275 PolarHBondContact O-N 3.32Å; R272-L276 HydrophobicContact CG-CD1 3.91Å; R272-L276 HydrophobicContact CG-CD2 3.65Å; R272-L276 HydrophobicContact CG-CG 3.79Å; R272-L276 PolarHBondContact O-N 3.02Å
273	L	98.9	Very high	98.7	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-50.7	-55.3	-167	-178.9	59.2	0	0	0	113.1	N263 S270 F271 H275 L276 F277 V283 Y295 L298	N263-L273 HydrophobicContact CB-CD1 3.71Å; N263-L273 PolarHBondContact OD1-N 3.41Å; S270-L273 PolarHBondContact O-N 3.43Å; S270-L273 VanDerWaalsContact O-N 3.15Å; F271-L273 VanDerWaalsContact C-N 3.28Å; F271-L273 PolarHBondContact O-N 3.23Å; L273-H275 PolarHBondContact O-N 3.47Å; L273-H275 VanDerWaalsContact O-N 3.13Å; L273-L276 PolarHBondContact O-N 3.47Å; L273-L276 VanDerWaalsContact O-N 3.16Å; L273-F277 HydrophobicContact CD1-CD2 4.45Å; L273-F277 HydrophobicContact CD1-CE2 3.57Å; L273-F277 HydrophobicContact CD1-CZ 4.06Å; L273-F277 HydrophobicContact CD2-CE2 4.49Å; L273-F277 HydrophobicContact CG-CE2 3.8Å; L273-F277 WeakPolarHBondContact O-CD2 3.37Å; L273-V283 HydrophobicContact CD1-CG1 3.76Å; L273-Y295 HydrophobicContact CB-CE1 4.44Å; L273-Y295 WeakPolarHBondContact CB-OH 3.31Å; L273-Y295 HydrophobicContact CD2-CD1 4Å; L273-Y295 HydrophobicContact CD2-CD2 4.07Å; L273-Y295 HydrophobicContact CD2-CE1 3.52Å; L273-Y295 HydrophobicContact CD2-CE2 3.58Å; L273-Y295 HydrophobicContact CD2-CG 4.25Å; L273-Y295 WeakPolarHBondContact CD2-OH 3.39Å; L273-Y295 HydrophobicContact CG-CE1 4.47Å; L273-L298 HydrophobicContact CD2-CD1 4.09Å
274	K	98.8	Very high	98.7	Very high	1 Å²	1	10.8 Å²	10.8	0%	0.004	6%	0.06	C	C	.	.	H	α-helix	trans	-58.2	-29.5	-177.2	61.1	176.1	177.8	-69.9	0	113.9	F159 W177 F271 R272 F294 L343	F159-K274 HydrophobicContact CD1-CD 4.46Å; F159-K274 HydrophobicContact CE1-CD 3.62Å; F159-K274 HydrophobicContact CZ-CD 3.89Å; W177-K274 HydrophobicContact CD2-CD 4.21Å; W177-K274 HydrophobicContact CE3-CD 4.13Å; W177-K274 HydrophobicContact CH2-CB 4.05Å; W177-K274 HydrophobicContact CH2-CD 4.14Å; W177-K274 HydrophobicContact CH2-CG 4.04Å; W177-K274 HydrophobicContact CZ2-CB 4.39Å; W177-K274 HydrophobicContact CZ2-CD 4.22Å; W177-K274 HydrophobicContact CZ3-CD 4.1Å; W177-K274 HydrophobicContact CZ3-CG 4.07Å; F271-K274 PolarHBondContact O-NZ 2.95Å; R272-K274 PolarHBondContact O-N 2.89Å; K274-F294 HydrophobicContact CB-CE2 4.25Å; K274-F294 HydrophobicContact CB-CZ 3.86Å; K274-L343 HydrophobicContact CB-CD2 3.85Å; K274-L343 HydrophobicContact CD-CD2 4.22Å
275	H	98.9	Very high	98.7	Very high	4 Å²	4	11.3 Å²	11.3	2%	0.019	6%	0.062	C	C	.	.	H	α-helix	trans	-76	-36.4	-178.2	-58.1	90.9	0	0	0	111.8	W177 M180 L184 L252 F271 R272 L273 F277 L278	W177-H275 AromaticContact CE3-NE2 3.82Å; W177-H275 AromaticContact CZ3-CD2 3.54Å; W177-H275 AromaticContact CZ3-NE2 3.8Å; M180-H275 WeakPolarHBondContact CG-CD2 3.04Å; L184-H275 HydrophobicContact CD1-CB 3.83Å; L252-H275 HydrophobicContact CD1-CB 3.89Å; L252-H275 HydrophobicContact CD2-CB 4.2Å; L252-H275 HydrophobicContact CG-CB 4.46Å; F271-H275 PolarHBondContact O-CE1 2.78Å; F271-H275 PolarHBondContact O-ND1 3.03Å; R272-H275 WeakPolarHBondContact O-CB 3.41Å; R272-H275 PolarHBondContact O-N 3.32Å; L273-H275 PolarHBondContact O-N 3.47Å; L273-H275 VanDerWaalsContact O-N 3.13Å; H275-F277 VanDerWaalsContact C-N 3.3Å; H275-F277 PolarHBondContact O-N 2.99Å; H275-L278 PolarHBondContact O-N 2.95Å; H275-L278 VanDerWaalsContact O-N 3.17Å
276	L	98.9	Very high	98.7	Very high	3 Å²	3	9.1 Å²	9.1	2%	0.016	5%	0.054	C	C	.	.	H	α-helix	trans	-62.3	-38.7	-175	-55.7	-175.9	0	0	0	112	L261 N263 R272 L273 L278 C279 V283	L261-L276 HydrophobicContact CB-CB 4.15Å; L261-L276 HydrophobicContact CB-CD1 4Å; L261-L276 HydrophobicContact CB-CD2 4.17Å; L261-L276 HydrophobicContact CB-CG 4.32Å; L261-L276 HydrophobicContact CD1-CB 4.05Å; L261-L276 HydrophobicContact CD1-CD2 4.02Å; N263-L276 HydrophobicContact CB-CD1 3.89Å; R272-L276 HydrophobicContact CG-CD1 3.91Å; R272-L276 HydrophobicContact CG-CD2 3.65Å; R272-L276 HydrophobicContact CG-CG 3.79Å; R272-L276 PolarHBondContact O-N 3.02Å; L273-L276 PolarHBondContact O-N 3.47Å; L273-L276 VanDerWaalsContact O-N 3.16Å; L276-L278 VanDerWaalsContact C-N 3.29Å; L276-L278 PolarHBondContact O-N 3.07Å; L276-C279 WeakPolarHBondContact O-CB 2.9Å; L276-C279 PolarHBondContact O-N 2.98Å; L276-V283 HydrophobicContact CB-CG2 3.67Å; L276-V283 HydrophobicContact CD1-CG1 4.34Å
277	F	98.9	Very high	98.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.1	-38.7	177.8	-70.5	-70.1	0	0	0	112.5	L273 H275 C279 G280 V283 L298 H303 Y304 Q336 I339	L273-F277 HydrophobicContact CD1-CD2 4.45Å; L273-F277 HydrophobicContact CD1-CE2 3.57Å; L273-F277 HydrophobicContact CD1-CZ 4.06Å; L273-F277 HydrophobicContact CD2-CE2 4.49Å; L273-F277 HydrophobicContact CG-CE2 3.8Å; L273-F277 WeakPolarHBondContact O-CD2 3.37Å; H275-F277 VanDerWaalsContact C-N 3.3Å; H275-F277 PolarHBondContact O-N 2.99Å; F277-C279 PolarHBondContact O-N 3.25Å; F277-G280 PolarHBondContact O-N 3.29Å; F277-V283 HydrophobicContact CD1-CB 4.17Å; F277-V283 HydrophobicContact CD1-CG2 3.5Å; F277-V283 VanDerWaalsContact CD1-CG2 3.5Å; F277-V283 HydrophobicContact CD2-CG2 4.27Å; F277-V283 HydrophobicContact CE1-CB 3.7Å; F277-V283 HydrophobicContact CE1-CG1 4.3Å; F277-V283 HydrophobicContact CE1-CG2 3.56Å; F277-V283 HydrophobicContact CE2-CG1 4.49Å; F277-V283 HydrophobicContact CE2-CG2 4.33Å; F277-V283 HydrophobicContact CG-CG2 3.87Å; F277-V283 HydrophobicContact CZ-CB 3.97Å; F277-V283 HydrophobicContact CZ-CG1 4.05Å; F277-V283 HydrophobicContact CZ-CG2 4Å; F277-L298 HydrophobicContact CE2-CD1 3.7Å; F277-L298 HydrophobicContact CE2-CD2 4.08Å; F277-L298 HydrophobicContact CZ-CD1 4.09Å; F277-L298 HydrophobicContact CZ-CD2 3.98Å; F277-H303 HydrophobicContact CE1-CB 4.47Å; F277-H303 WeakPolarHBondContact CE1-O 3.49Å; F277-Y304 HydrophobicContact CZ-CD1 4.24Å; F277-Q336 VanDerWaalsContact O-CB 3.28Å; F277-Q336 WeakPolarHBondContact O-CB 3.34Å; F277-Q336 WeakPolarHBondContact O-CG 3.41Å; F277-I339 HydrophobicContact CB-CB 4.15Å; F277-I339 HydrophobicContact CB-CG1 3.63Å; F277-I339 HydrophobicContact CD2-CD1 4.17Å; F277-I339 HydrophobicContact CD2-CG1 3.7Å; F277-I339 HydrophobicContact CG-CG1 3.78Å
278	L	98.9	Very high	98.7	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-67.7	-18.2	-177.2	-67.9	-174.7	0	0	0	113.6	W177 R181 L184 A188 H275 L276 G280 Q336 I339 L340	W177-L278 HydrophobicContact CH2-CD1 3.28Å; W177-L278 HydrophobicContact CH2-CG 4.04Å; W177-L278 HydrophobicContact CZ2-CD1 3.95Å; W177-L278 HydrophobicContact CZ3-CD1 3.83Å; R181-L278 HydrophobicContact CB-CD1 4.03Å; R181-L278 HydrophobicContact CG-CD1 3.65Å; L184-L278 HydrophobicContact CB-CB 3.67Å; L184-L278 HydrophobicContact CB-CD1 4.27Å; L184-L278 HydrophobicContact CD1-CB 4.07Å; L184-L278 HydrophobicContact CD1-CD1 4.07Å; L184-L278 HydrophobicContact CG-CB 4.43Å; A188-L278 VanDerWaalsContact CB-O 3.32Å; A188-L278 WeakPolarHBondContact CB-O 3.2Å; H275-L278 PolarHBondContact O-N 2.95Å; H275-L278 VanDerWaalsContact O-N 3.17Å; L276-L278 VanDerWaalsContact C-N 3.29Å; L276-L278 PolarHBondContact O-N 3.07Å; L278-G280 PolarHBondContact O-N 3.13Å; L278-Q336 PolarHBondContact O-NE2 2.67Å; L278-I339 HydrophobicContact CD1-CG2 4.43Å; L278-I339 HydrophobicContact CD2-CB 4.22Å; L278-I339 HydrophobicContact CD2-CG2 3.73Å; L278-I339 HydrophobicContact CG-CG2 3.91Å; L278-L340 HydrophobicContact CD2-CD2 3.59Å; L278-L340 HydrophobicContact CD2-CG 3.74Å
279	C	98.9	Very high	98.7	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.007	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.4	171	-75.5	0	0	0	0	114.1	K196 C256 L261 L276 F277 S281	K196-C279 PolarHBondContact NZ-O 3.13Å; C256-C279 WeakPolarHBondContact CA-SG 3.09Å; C256-C279 HydrophobicContact CB-CB 3.48Å; C256-C279 VanDerWaalsContact CB-CB 3.48Å; C256-C279 WeakPolarHBondContact CB-SG 3.44Å; C256-C279 PolarHBondContact N-SG 2.66Å; C256-C279 WeakPolarHBondContact SG-CA 3.44Å; C256-C279 WeakPolarHBondContact SG-CB 3.41Å; C256-C279 CovalentContact SG-SG 2.05Å; C256-C279 PolarHBondContact SG-SG 2.88Å; L261-C279 HydrophobicContact CD1-CB 4Å; L276-C279 WeakPolarHBondContact O-CB 2.9Å; L276-C279 PolarHBondContact O-N 2.98Å; F277-C279 PolarHBondContact O-N 3.25Å; C279-S281 WeakPolarHBondContact CB-OG 3.21Å; C279-S281 PolarHBondContact O-N 3.18Å; C279-S281 PolarHBondContact O-OG 3.37Å
280	G	98.7	Very high	98.7	Very high	12 Å²	12	16.4 Å²	16.4	12%	0.124	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	28.4	-171.3	0	0	0	0	0	112	K196 F277 L278 Q336	K196-G280 WeakPolarHBondContact CE-O 3.23Å; F277-G280 PolarHBondContact O-N 3.29Å; L278-G280 PolarHBondContact O-N 3.13Å; G280-Q336 VanDerWaalsContact CA-CD 3.44Å
281	S	98.9	Very high	98.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.			trans	-106.4	154.1	179.4	-50.4	0	0	0	0	108.4	K196 Y258 C279 V283	K196-S281 WeakPolarHBondContact CE-OG 3.46Å; K196-S281 PolarHBondContact NZ-OG 3.46Å; Y258-S281 VanDerWaalsContact O-CB 3.31Å; Y258-S281 WeakPolarHBondContact O-CB 3.48Å; Y258-S281 PolarHBondContact O-OG 3.01Å; C279-S281 WeakPolarHBondContact CB-OG 3.21Å; C279-S281 PolarHBondContact O-N 3.18Å; C279-S281 PolarHBondContact O-OG 3.37Å; S281-V283 PolarHBondContact O-N 2.01Å
282	L	98.9	Very high	98.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	119.7	178.8	-177.9	57.9	0	0	0	109.9	W193 K259 Y260 L261 F284 V305 V321 A328 I331 A332	W193-L282 HydrophobicContact CH2-CB 3.99Å; W193-L282 HydrophobicContact CZ3-CB 4.21Å; K259-L282 PolarHBondContact O-N 3.36Å; Y260-L282 WeakPolarHBondContact CA-O 3.33Å; Y260-L282 HydrophobicContact CD1-CB 4.28Å; Y260-L282 HydrophobicContact CD1-CD2 4.43Å; L261-L282 PolarHBondContact N-O 3.21Å; L282-F284 HydrophobicContact CD2-CE2 3.88Å; L282-F284 HydrophobicContact CD2-CZ 4.46Å; L282-F284 HydrophobicContact CG-CD2 4.37Å; L282-F284 HydrophobicContact CG-CE2 3.98Å; L282-V305 HydrophobicContact CD1-CG2 4.09Å; L282-V305 HydrophobicContact CD2-CG2 3.84Å; L282-V305 HydrophobicContact CG-CG2 4.11Å; L282-V321 HydrophobicContact CD2-CB 4.07Å; L282-V321 HydrophobicContact CD2-CG1 3.62Å; L282-A328 HydrophobicContact CD2-CB 3.77Å; L282-I331 HydrophobicContact CD1-CB 3.72Å; L282-I331 HydrophobicContact CD1-CG2 3.46Å; L282-I331 VanDerWaalsContact CD1-CG2 3.46Å; L282-A332 HydrophobicContact CB-CB 4.05Å; L282-A332 HydrophobicContact CD1-CB 4.3Å
283	V	99	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.3	177.8	179.8	0	0	0	0	110	L261 N263 L273 L276 F277 S281 Y304 V305	L261-V283 WeakPolarHBondContact O-CA 3.34Å; N263-V283 HydrophobicContact CB-CG1 4.43Å; L273-V283 HydrophobicContact CD1-CG1 3.76Å; L276-V283 HydrophobicContact CB-CG2 3.67Å; L276-V283 HydrophobicContact CD1-CG1 4.34Å; F277-V283 HydrophobicContact CD1-CB 4.17Å; F277-V283 HydrophobicContact CD1-CG2 3.5Å; F277-V283 VanDerWaalsContact CD1-CG2 3.5Å; F277-V283 HydrophobicContact CD2-CG2 4.27Å; F277-V283 HydrophobicContact CE1-CB 3.7Å; F277-V283 HydrophobicContact CE1-CG1 4.3Å; F277-V283 HydrophobicContact CE1-CG2 3.56Å; F277-V283 HydrophobicContact CE2-CG1 4.49Å; F277-V283 HydrophobicContact CE2-CG2 4.33Å; F277-V283 HydrophobicContact CG-CG2 3.87Å; F277-V283 HydrophobicContact CZ-CB 3.97Å; F277-V283 HydrophobicContact CZ-CG1 4.05Å; F277-V283 HydrophobicContact CZ-CG2 4Å; S281-V283 PolarHBondContact O-N 2.01Å; V283-Y304 WeakPolarHBondContact O-CA 3.36Å; V283-Y304 WeakPolarHBondContact O-CB 3.43Å; V283-V305 PolarHBondContact O-N 3.07Å
284	F	98.9	Very high	98.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	107.8	167.7	-79.8	-112.1	0	0	0	107.8	Y260 L261 F262 N263 L282 V305 V307 L317 L318 V321	Y260-F284 AromaticContact CD1-CE2 3.99Å; Y260-F284 HydrophobicContact CD1-CE2 3.99Å; Y260-F284 HydrophobicContact CG-CE2 4.1Å; L261-F284 PolarHBondContact O-N 2.77Å; F262-F284 CarbonylContact C-O 3.55Å; F262-F284 WeakPolarHBondContact CA-O 3.34Å; F262-F284 HydrophobicContact CD1-CB 3.62Å; F262-F284 HydrophobicContact CD1-CG 4.44Å; F262-F284 HydrophobicContact CD2-CB 4.33Å; F262-F284 HydrophobicContact CE1-CB 3.63Å; F262-F284 AromaticContact CE1-CD1 3.92Å; F262-F284 HydrophobicContact CE1-CD1 3.92Å; F262-F284 HydrophobicContact CE1-CG 4Å; F262-F284 HydrophobicContact CE2-CB 4.33Å; F262-F284 HydrophobicContact CE2-CG 4.31Å; F262-F284 HydrophobicContact CG-CB 3.99Å; F262-F284 HydrophobicContact CZ-CB 3.99Å; F262-F284 AromaticContact CZ-CD1 3.83Å; F262-F284 HydrophobicContact CZ-CD1 3.83Å; F262-F284 HydrophobicContact CZ-CE1 4.49Å; F262-F284 AromaticContact CZ-CG 3.92Å; F262-F284 HydrophobicContact CZ-CG 3.92Å; N263-F284 PolarHBondContact N-O 3.16Å; L282-F284 HydrophobicContact CD2-CE2 3.88Å; L282-F284 HydrophobicContact CD2-CZ 4.46Å; L282-F284 HydrophobicContact CG-CD2 4.37Å; L282-F284 HydrophobicContact CG-CE2 3.98Å; F284-V305 WeakPolarHBondContact CA-O 3.39Å; F284-V305 HydrophobicContact CD1-CB 4.11Å; F284-V305 HydrophobicContact CD1-CG1 3.89Å; F284-V305 HydrophobicContact CD2-CB 4.46Å; F284-V305 HydrophobicContact CE1-CB 4.15Å; F284-V305 HydrophobicContact CE1-CG1 3.76Å; F284-V305 HydrophobicContact CE2-CB 4.47Å; F284-V305 HydrophobicContact CE2-CG2 4.42Å; F284-V305 HydrophobicContact CG-CB 4.27Å; F284-V305 HydrophobicContact CZ-CB 4.31Å; F284-V305 HydrophobicContact CZ-CG1 4.28Å; F284-V305 HydrophobicContact CZ-CG2 4.3Å; F284-V307 HydrophobicContact CB-CG2 3.94Å; F284-V307 HydrophobicContact CD1-CG2 3.63Å; F284-V307 HydrophobicContact CG-CG2 4.26Å; F284-L317 HydrophobicContact CE1-CB 3.85Å; F284-L318 HydrophobicContact CE1-CD2 4.18Å; F284-L318 HydrophobicContact CE1-CG 4.38Å; F284-L318 HydrophobicContact CE2-CD2 4.46Å; F284-L318 HydrophobicContact CZ-CD2 3.98Å; F284-V321 HydrophobicContact CE2-CG2 4.29Å; F284-V321 HydrophobicContact CZ-CB 4.45Å; F284-V321 HydrophobicContact CZ-CG1 3.9Å; F284-V321 HydrophobicContact CZ-CG2 3.74Å
285	H	98.9	Very high	98.7	Very high	12 Å²	12	15.3 Å²	15.3	6%	0.056	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.4	-178.7	-172.2	5	0	0	0	110.2	N263 Y295 Y304 V305 V307	N263-H285 PolarHBondContact ND2-CE1 3.21Å; N263-H285 VanDerWaalsContact ND2-CE1 3.33Å; N263-H285 PolarHBondContact ND2-ND1 2.95Å; N263-H285 VanDerWaalsContact ND2-ND1 3.19Å; H285-Y295 AromaticContact NE2-CE2 3.88Å; H285-Y304 HydrophobicContact CB-CD2 3.49Å; H285-Y304 VanDerWaalsContact CB-CD2 3.49Å; H285-Y304 HydrophobicContact CB-CE2 3.64Å; H285-Y304 HydrophobicContact CB-CG 4.2Å; H285-V305 PolarHBondContact N-O 3.22Å; H285-V307 PolarHBondContact O-N 3.33Å
286	V	98.9	Very high	98.6	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.018	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.5	179.7	178.7	0	0	0	0	110.7	F262 N263 F264 V307 L311	F262-V286 HydrophobicContact CD1-CG2 4.24Å; N263-V286 PolarHBondContact O-N 2.95Å; F264-V286 HydrophobicContact CD1-CB 3.69Å; F264-V286 HydrophobicContact CD1-CG1 3.78Å; F264-V286 HydrophobicContact CD1-CG2 3.85Å; F264-V286 HydrophobicContact CE1-CB 3.85Å; F264-V286 HydrophobicContact CE1-CG1 3.82Å; F264-V286 HydrophobicContact CE1-CG2 3.53Å; F264-V286 HydrophobicContact CE2-CG2 4.27Å; F264-V286 HydrophobicContact CG-CB 4.25Å; F264-V286 HydrophobicContact CG-CG2 4.35Å; F264-V286 HydrophobicContact CZ-CB 4.48Å; F264-V286 HydrophobicContact CZ-CG2 3.73Å; V286-V307 WeakPolarHBondContact CA-O 3.4Å; V286-V307 HydrophobicContact CB-CB 4.46Å; V286-V307 HydrophobicContact CG2-CB 3.83Å; V286-V307 HydrophobicContact CG2-CG1 4Å; V286-V307 HydrophobicContact CG2-CG2 4.37Å; V286-L311 HydrophobicContact CB-CD1 4.41Å; V286-L311 HydrophobicContact CG1-CD1 3.49Å; V286-L311 VanDerWaalsContact CG1-CD1 3.49Å; V286-L311 HydrophobicContact CG2-CD1 4Å
287	G	98.3	Very high	98.5	Very high	16 Å²	16	18.9 Å²	18.9	17%	0.165	10%	0.103	C	C	.	.			trans	72.3	170.3	-178.6	0	0	0	0	0	113.5	V307	G287-V307 PolarHBondContact N-O 3.06Å
288	D	97.6	Very high	98.5	Very high	121 Å²	121	19.1 Å²	19.1	65%	0.647	10%	0.104	S	C	*	.	S	Bend	trans	-137.6	0.6	-175.3	60.3	-8.3	0	0	0	114	Q291	D288-Q291 PolarHBondContact O-NE2 3.2Å
289	E	97.9	Very high	98.5	Very high	80 Å²	80	22.9 Å²	22.9	37%	0.374	12%	0.12	S	C	.	.	S	Bend	trans	-75.2	-49	-176.3	-60.5	-175.7	144.7	0	0	113.4	T146	T146-E289 WeakPolarHBondContact CA-O 3.26Å; T146-E289 HydrophobicContact CG2-CB 4.1Å
290	W	98.7	Very high	98.5	Very high	14 Å²	14	25.4 Å²	25.4	5%	0.053	14%	0.137	C	C	.	.			trans	-85.6	120	-169.8	-74.4	89	0	0	0	112.3	Y127 P128 T146 R265 A268 A269 Y295	Y127-W290 AromaticContact CD2-CH2 3.74Å; Y127-W290 HydrophobicContact CD2-CH2 3.74Å; Y127-W290 HydrophobicContact CD2-CZ2 4.4Å; Y127-W290 HydrophobicContact CE1-CH2 4.46Å; Y127-W290 AromaticContact CE2-CH2 3.25Å; Y127-W290 HydrophobicContact CE2-CH2 3.25Å; Y127-W290 AromaticContact CE2-CZ2 3.55Å; Y127-W290 HydrophobicContact CE2-CZ2 3.55Å; Y127-W290 HydrophobicContact CE2-CZ3 4.39Å; Y127-W290 AromaticContact CZ-CH2 3.66Å; Y127-W290 AromaticContact CZ-CZ2 3.95Å; P128-W290 HydrophobicContact CG-CH2 4.21Å; P128-W290 HydrophobicContact CG-CZ3 4.08Å; T146-W290 HydrophobicContact CG2-CD2 3.62Å; T146-W290 HydrophobicContact CG2-CE3 3.88Å; T146-W290 HydrophobicContact CG2-CG 4.05Å; T146-W290 HydrophobicContact CG2-CH2 4.15Å; T146-W290 HydrophobicContact CG2-CZ2 3.89Å; T146-W290 HydrophobicContact CG2-CZ3 4.15Å; R265-W290 HydrophobicContact CB-CB 4.32Å; R265-W290 HydrophobicContact CB-CG 4.16Å; A268-W290 VanDerWaalsContact CA-CE3 3.42Å; A268-W290 HydrophobicContact CB-CD2 4.31Å; A268-W290 HydrophobicContact CB-CE3 3.5Å; A268-W290 HydrophobicContact CB-CH2 4.2Å; A268-W290 HydrophobicContact CB-CZ3 3.44Å; A268-W290 VanDerWaalsContact CB-CZ3 3.44Å; A269-W290 HydrophobicContact CB-CB 4.27Å; W290-Y295 WeakPolarHBondContact O-CD2 3.34Å; W290-Y295 WeakPolarHBondContact O-CE2 3.35Å
291	Q	98.6	Very high	98.5	Very high	43 Å²	43	26.5 Å²	26.5	20%	0.201	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.4	-173.5	-56.7	-64.9	-46.8	0	0	111.6	S144 K145 M153 D288	S144-Q291 WeakPolarHBondContact CA-O 3.5Å; S144-Q291 WeakPolarHBondContact CB-O 3.36Å; S144-Q291 PolarHBondContact OG-O 2.89Å; K145-Q291 PolarHBondContact N-O 3Å; K145-Q291 PolarHBondContact O-N 2.86Å; M153-Q291 HydrophobicContact CE-CB 4.29Å; M153-Q291 HydrophobicContact SD-CB 3.92Å; D288-Q291 PolarHBondContact O-NE2 3.2Å
292	E	98.8	Very high	98.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	167.1	149.2	-58.8	-176.9	-111.9	0	0	108	F143 A269 F294 Y295	F143-E292 HydrophobicContact CD2-CG 4.13Å; F143-E292 HydrophobicContact CE2-CG 4.16Å; A269-E292 HydrophobicContact CB-CG 3.7Å; E292-F294 HydrophobicContact CB-CD1 4.05Å; E292-F294 HydrophobicContact CB-CE1 3.78Å; E292-F294 HydrophobicContact CG-CE1 4.37Å; E292-F294 PolarHBondContact O-N 2.95Å; E292-Y295 HydrophobicContact CB-CD1 3.65Å; E292-Y295 HydrophobicContact CB-CE1 3.56Å; E292-Y295 HydrophobicContact CB-CG 4.45Å; E292-Y295 HydrophobicContact CG-CD1 4.22Å; E292-Y295 HydrophobicContact CG-CE1 3.61Å; E292-Y295 WeakPolarHBondContact O-CB 3.39Å; E292-Y295 PolarHBondContact O-N 2.89Å; E292-Y295 WeakPolarHBondContact OE1-CE1 3.42Å; E292-Y295 PolarHBondContact OE1-OH 3.03Å
293	F	98.4	Very high	98.5	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.8	-171.9	84.5	-80.9	0	0	0	115.3	H50 V53 M153 P155 F159 L343 I348 Y351	H50-F293 HydrophobicContact CB-CD2 4.07Å; H50-F293 HydrophobicContact CB-CE2 4.17Å; H50-F293 AromaticContact CD2-CE2 3.95Å; H50-F293 AromaticContact CG-CE2 3.98Å; V53-F293 WeakPolarHBondContact CG2-O 3.41Å; M153-F293 HydrophobicContact CB-CB 4.11Å; P155-F293 HydrophobicContact CB-CD1 4.04Å; P155-F293 HydrophobicContact CB-CE1 3.67Å; P155-F293 HydrophobicContact CB-CZ 4.2Å; P155-F293 HydrophobicContact CG-CD1 4.05Å; P155-F293 HydrophobicContact CG-CE1 3.88Å; P155-F293 HydrophobicContact CG-CE2 4.4Å; P155-F293 HydrophobicContact CG-CG 4.39Å; P155-F293 HydrophobicContact CG-CZ 4.06Å; F159-F293 AromaticContact CE2-CE1 3.83Å; F159-F293 HydrophobicContact CE2-CE1 3.83Å; F159-F293 HydrophobicContact CZ-CE1 4.07Å; F293-L343 HydrophobicContact CE1-CD1 4.28Å; F293-L343 HydrophobicContact CZ-CD1 3.73Å; F293-I348 HydrophobicContact CE1-CD1 4.17Å; F293-I348 HydrophobicContact CZ-CD1 3.71Å; F293-Y351 HydrophobicContact CB-CE1 4.28Å; F293-Y351 HydrophobicContact CD2-CD1 4.18Å; F293-Y351 AromaticContact CD2-CD2 3.69Å; F293-Y351 HydrophobicContact CD2-CD2 3.69Å; F293-Y351 HydrophobicContact CD2-CE1 4.12Å; F293-Y351 AromaticContact CD2-CE2 3.63Å; F293-Y351 HydrophobicContact CD2-CE2 3.63Å; F293-Y351 AromaticContact CD2-CG 3.95Å; F293-Y351 HydrophobicContact CD2-CG 3.95Å; F293-Y351 AromaticContact CD2-CZ 3.84Å; F293-Y351 AromaticContact CE2-CD2 3.93Å; F293-Y351 HydrophobicContact CE2-CD2 3.93Å; F293-Y351 HydrophobicContact CE2-CE2 4.33Å; F293-Y351 HydrophobicContact CE2-CG 4.03Å; F293-Y351 HydrophobicContact CG-CE1 4.33Å; F293-Y351 HydrophobicContact CG-CE2 4.47Å
294	F	98.1	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-13	-177.9	68	-88.3	0	0	0	113.9	F159 K274 E292 Q297 L298 I339 L343	F159-F294 HydrophobicContact CZ-CD1 4.49Å; F159-F294 HydrophobicContact CZ-CE1 4.33Å; K274-F294 HydrophobicContact CB-CE2 4.25Å; K274-F294 HydrophobicContact CB-CZ 3.86Å; E292-F294 HydrophobicContact CB-CD1 4.05Å; E292-F294 HydrophobicContact CB-CE1 3.78Å; E292-F294 HydrophobicContact CG-CE1 4.37Å; E292-F294 PolarHBondContact O-N 2.95Å; F294-Q297 PolarHBondContact O-N 2.82Å; F294-L298 HydrophobicContact CD2-CD1 3.91Å; F294-L298 HydrophobicContact CE2-CD1 3.78Å; F294-I339 HydrophobicContact CD2-CD1 4.43Å; F294-I339 HydrophobicContact CE2-CD1 4.33Å; F294-L343 HydrophobicContact CB-CD1 3.7Å; F294-L343 HydrophobicContact CD1-CD1 3.95Å; F294-L343 HydrophobicContact CD1-CD2 4.17Å; F294-L343 HydrophobicContact CD2-CD1 4.35Å; F294-L343 HydrophobicContact CD2-CD2 3.94Å; F294-L343 HydrophobicContact CE1-CD2 4.2Å; F294-L343 HydrophobicContact CE2-CD2 3.96Å; F294-L343 HydrophobicContact CG-CD1 3.75Å; F294-L343 HydrophobicContact CG-CD2 4.04Å; F294-L343 HydrophobicContact CZ-CD2 4.08Å
295	Y	98.6	Very high	98.4	Very high	9 Å²	9	28 Å²	28	4%	0.035	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-59.8	-40.1	-175.6	-78.9	33.7	0	0	0	112.7	A269 S270 L273 H285 W290 E292 Q297 L298	A269-Y295 HydrophobicContact CB-CE2 4.14Å; S270-Y295 PolarHBondContact O-OH 2.92Å; L273-Y295 HydrophobicContact CB-CE1 4.44Å; L273-Y295 WeakPolarHBondContact CB-OH 3.31Å; L273-Y295 HydrophobicContact CD2-CD1 4Å; L273-Y295 HydrophobicContact CD2-CD2 4.07Å; L273-Y295 HydrophobicContact CD2-CE1 3.52Å; L273-Y295 HydrophobicContact CD2-CE2 3.58Å; L273-Y295 HydrophobicContact CD2-CG 4.25Å; L273-Y295 WeakPolarHBondContact CD2-OH 3.39Å; L273-Y295 HydrophobicContact CG-CE1 4.47Å; H285-Y295 AromaticContact NE2-CE2 3.88Å; W290-Y295 WeakPolarHBondContact O-CD2 3.34Å; W290-Y295 WeakPolarHBondContact O-CE2 3.35Å; E292-Y295 HydrophobicContact CB-CD1 3.65Å; E292-Y295 HydrophobicContact CB-CE1 3.56Å; E292-Y295 HydrophobicContact CB-CG 4.45Å; E292-Y295 HydrophobicContact CG-CD1 4.22Å; E292-Y295 HydrophobicContact CG-CE1 3.61Å; E292-Y295 WeakPolarHBondContact O-CB 3.39Å; E292-Y295 PolarHBondContact O-N 2.89Å; E292-Y295 WeakPolarHBondContact OE1-CE1 3.42Å; E292-Y295 PolarHBondContact OE1-OH 3.03Å; Y295-Q297 PolarHBondContact O-N 3.19Å; Y295-L298 WeakPolarHBondContact O-CA 3.49Å; Y295-L298 WeakPolarHBondContact O-CB 3.43Å; Y295-L298 PolarHBondContact O-N 3.33Å
296	P	97.5	Very high	98.4	Very high	42 Å²	42	29.1 Å²	29.1	27%	0.273	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-59.1	-20.6	179.6	-29.6	39.1	0	0	0	114.6	V53 K299	V53-P296 HydrophobicContact CG1-CG 4.48Å; V53-P296 HydrophobicContact CG2-CB 3.78Å; V53-P296 HydrophobicContact CG2-CG 3.65Å; P296-K299 VanDerWaalsContact O-CE 3.25Å; P296-K299 WeakPolarHBondContact O-CE 3.28Å; P296-K299 PolarHBondContact O-NZ 3.09Å
297	Q	97.2	Very high	98.4	Very high	40 Å²	40	29.2 Å²	29.2	19%	0.187	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-87.3	-18.8	175.4	-65.3	-58	-41.1	0	0	113.5	C49 H50 F294 Y295 K299 F338	C49-Q297 WeakPolarHBondContact O-CG 3.33Å; C49-Q297 PolarHBondContact O-NE2 3.41Å; H50-Q297 WeakPolarHBondContact ND1-CG 3.21Å; F294-Q297 PolarHBondContact O-N 2.82Å; Y295-Q297 PolarHBondContact O-N 3.19Å; Q297-K299 PolarHBondContact O-N 2.96Å; Q297-F338 HydrophobicContact CB-CE1 4.28Å; Q297-F338 HydrophobicContact CB-CE2 3.93Å; Q297-F338 HydrophobicContact CB-CZ 3.37Å; Q297-F338 HydrophobicContact CG-CZ 4.46Å
298	L	98.3	Very high	98.5	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	17%	0.169	C	C	.	.	S	Bend	trans	-76.4	108.5	167.6	-69.5	169.8	0	0	0	108.9	L273 F277 F294 Y295 H303 Y304 F338 I339	L273-L298 HydrophobicContact CD2-CD1 4.09Å; F277-L298 HydrophobicContact CE2-CD1 3.7Å; F277-L298 HydrophobicContact CE2-CD2 4.08Å; F277-L298 HydrophobicContact CZ-CD1 4.09Å; F277-L298 HydrophobicContact CZ-CD2 3.98Å; F294-L298 HydrophobicContact CD2-CD1 3.91Å; F294-L298 HydrophobicContact CE2-CD1 3.78Å; Y295-L298 WeakPolarHBondContact O-CA 3.49Å; Y295-L298 WeakPolarHBondContact O-CB 3.43Å; Y295-L298 PolarHBondContact O-N 3.33Å; L298-H303 HydrophobicContact CD2-CB 4.08Å; L298-Y304 HydrophobicContact CB-CD1 4.25Å; L298-Y304 HydrophobicContact CB-CE1 3.92Å; L298-Y304 WeakPolarHBondContact O-CE1 3.44Å; L298-F338 HydrophobicContact CD2-CD1 3.46Å; L298-F338 VanDerWaalsContact CD2-CD1 3.46Å; L298-F338 HydrophobicContact CD2-CE1 3.86Å; L298-F338 HydrophobicContact CD2-CG 4.21Å; L298-F338 HydrophobicContact CG-CD1 4.22Å; L298-F338 HydrophobicContact CG-CE1 4.11Å; L298-I339 HydrophobicContact CD1-CD1 4.43Å; L298-I339 HydrophobicContact CD2-CD1 4.19Å
299	K	98.6	Very high	98.4	Very high	80 Å²	80	31.8 Å²	31.8	35%	0.348	15%	0.154	S	C	.	.			trans	-92.8	133.6	180	-53.8	-53.1	-174.3	177.8	0	112.9	Y39 P296 Q297 V302 H303	Y39-K299 HydrophobicContact CD2-CB 4.34Å; Y39-K299 HydrophobicContact CD2-CG 3.72Å; Y39-K299 HydrophobicContact CE2-CG 3.75Å; P296-K299 VanDerWaalsContact O-CE 3.25Å; P296-K299 WeakPolarHBondContact O-CE 3.28Å; P296-K299 PolarHBondContact O-NZ 3.09Å; Q297-K299 PolarHBondContact O-N 2.96Å; K299-V302 HydrophobicContact CB-CB 3.94Å; K299-V302 HydrophobicContact CB-CG2 3.79Å; K299-V302 PolarHBondContact O-N 3.45Å; K299-H303 PolarHBondContact N-ND1 2.93Å; K299-H303 PolarHBondContact O-N 2.81Å; K299-H303 PolarHBondContact O-ND1 3.11Å
300	P	98.8	Very high	98.4	Very high	54 Å²	54	33 Å²	33	35%	0.351	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-59.5	145.5	173	26.5	-34.2	0	0	0	110.3	V302 Y304 P306	P300-V302 PolarHBondContact O-N 2.78Å; P300-Y304 HydrophobicContact CB-CE2 4.03Å; P300-P306 HydrophobicContact CB-CB 3.95Å; P300-P306 HydrophobicContact CB-CG 3.74Å
301	W	98.8	Very high	98.4	Very high	35 Å²	35	32.8 Å²	32.8	13%	0.133	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	-19.5	-175.7	-53.5	116.7	0	0	0	116.4	I28 V32 A35 Y304 V305 P306 L317 F320 I331	I28-W301 HydrophobicContact CG2-CE3 4.49Å; I28-W301 HydrophobicContact CG2-CH2 3.68Å; I28-W301 HydrophobicContact CG2-CZ2 4.4Å; I28-W301 HydrophobicContact CG2-CZ3 3.75Å; V32-W301 HydrophobicContact CG2-CB 4.11Å; V32-W301 HydrophobicContact CG2-CD2 4.15Å; V32-W301 HydrophobicContact CG2-CE3 3.66Å; V32-W301 HydrophobicContact CG2-CG 4.38Å; V32-W301 HydrophobicContact CG2-CZ3 4.36Å; A35-W301 HydrophobicContact CB-CB 3.76Å; W301-Y304 WeakPolarHBondContact CA-O 3.3Å; W301-Y304 PolarHBondContact N-O 2.93Å; W301-V305 HydrophobicContact CE3-CG2 4.46Å; W301-V305 HydrophobicContact CH2-CG1 3.97Å; W301-V305 HydrophobicContact CZ3-CB 4.33Å; W301-V305 HydrophobicContact CZ3-CG1 3.84Å; W301-V305 HydrophobicContact CZ3-CG2 4.05Å; W301-P306 HydrophobicContact CD2-CG 4.1Å; W301-P306 VanDerWaalsContact CE2-CG 3.48Å; W301-P306 HydrophobicContact CG-CG 4.47Å; W301-P306 HydrophobicContact CZ2-CG 3.72Å; W301-L317 HydrophobicContact CH2-CD2 3.58Å; W301-L317 HydrophobicContact CZ2-CD2 4.38Å; W301-L317 HydrophobicContact CZ3-CD2 4.48Å; W301-F320 HydrophobicContact CZ3-CE1 4.45Å; W301-I331 WeakPolarHBondContact O-CG1 3.44Å
302	V	98.8	Very high	98.4	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-53.3	168.8	-175.8	0	0	0	0	109.9	A35 Y39 K299 P300 R334	A35-V302 HydrophobicContact CB-CG2 4.05Å; A35-V302 WeakPolarHBondContact O-CG2 3.43Å; Y39-V302 HydrophobicContact CD1-CG1 3.74Å; Y39-V302 HydrophobicContact CD2-CG1 4.11Å; Y39-V302 HydrophobicContact CD2-CG2 4.23Å; Y39-V302 HydrophobicContact CE1-CG1 4.09Å; Y39-V302 HydrophobicContact CE2-CG1 4.45Å; Y39-V302 HydrophobicContact CG-CB 4.5Å; Y39-V302 HydrophobicContact CG-CG1 3.74Å; Y39-V302 HydrophobicContact CG-CG2 4.07Å; K299-V302 HydrophobicContact CB-CB 3.94Å; K299-V302 HydrophobicContact CB-CG2 3.79Å; K299-V302 PolarHBondContact O-N 3.45Å; P300-V302 PolarHBondContact O-N 2.78Å; V302-R334 WeakPolarHBondContact O-CB 3.5Å; V302-R334 PolarHBondContact O-NE 3.3Å
303	H	98.9	Very high	98.3	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.019	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-27.3	-171.2	-55	96.5	0	0	0	113.6	Y39 F277 L298 K299 I331 F338	Y39-H303 AromaticContact CE2-CE1 3.54Å; Y39-H303 AromaticContact CZ-CE1 3.47Å; Y39-H303 VanDerWaalsContact CZ-CE1 3.47Å; Y39-H303 AromaticContact CZ-NE2 3.65Å; Y39-H303 PolarHBondContact OH-CE1 3.45Å; Y39-H303 PolarHBondContact OH-NE2 3.23Å; F277-H303 HydrophobicContact CE1-CB 4.47Å; F277-H303 WeakPolarHBondContact CE1-O 3.49Å; L298-H303 HydrophobicContact CD2-CB 4.08Å; K299-H303 PolarHBondContact N-ND1 2.93Å; K299-H303 PolarHBondContact O-N 2.81Å; K299-H303 PolarHBondContact O-ND1 3.11Å; H303-I331 VanDerWaalsContact C-CG2 3.47Å; H303-F338 AromaticContact CD2-CG 3.96Å; H303-F338 AromaticContact NE2-CD2 3.66Å; H303-F338 AromaticContact NE2-CG 3.84Å
304	Y	98.9	Very high	98.3	Very high	25 Å²	25	35.6 Å²	35.6	10%	0.098	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-150.9	164.5	-176.1	65.4	-94.4	0	0	0	111.3	F277 V283 H285 L298 P300 W301 P306	F277-Y304 HydrophobicContact CZ-CD1 4.24Å; V283-Y304 WeakPolarHBondContact O-CA 3.36Å; V283-Y304 WeakPolarHBondContact O-CB 3.43Å; H285-Y304 HydrophobicContact CB-CD2 3.49Å; H285-Y304 VanDerWaalsContact CB-CD2 3.49Å; H285-Y304 HydrophobicContact CB-CE2 3.64Å; H285-Y304 HydrophobicContact CB-CG 4.2Å; L298-Y304 HydrophobicContact CB-CD1 4.25Å; L298-Y304 HydrophobicContact CB-CE1 3.92Å; L298-Y304 WeakPolarHBondContact O-CE1 3.44Å; P300-Y304 HydrophobicContact CB-CE2 4.03Å; W301-Y304 WeakPolarHBondContact CA-O 3.3Å; W301-Y304 PolarHBondContact N-O 2.93Å; Y304-P306 HydrophobicContact CE2-CB 4.09Å; Y304-P306 WeakPolarHBondContact O-CD 3.5Å
305	V	98.9	Very high	98.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.6	171.3	175.4	0	0	0	0	109.1	L282 V283 F284 H285 W301 L317 V321	L282-V305 HydrophobicContact CD1-CG2 4.09Å; L282-V305 HydrophobicContact CD2-CG2 3.84Å; L282-V305 HydrophobicContact CG-CG2 4.11Å; V283-V305 PolarHBondContact O-N 3.07Å; F284-V305 WeakPolarHBondContact CA-O 3.39Å; F284-V305 HydrophobicContact CD1-CB 4.11Å; F284-V305 HydrophobicContact CD1-CG1 3.89Å; F284-V305 HydrophobicContact CD2-CB 4.46Å; F284-V305 HydrophobicContact CE1-CB 4.15Å; F284-V305 HydrophobicContact CE1-CG1 3.76Å; F284-V305 HydrophobicContact CE2-CB 4.47Å; F284-V305 HydrophobicContact CE2-CG2 4.42Å; F284-V305 HydrophobicContact CG-CB 4.27Å; F284-V305 HydrophobicContact CZ-CB 4.31Å; F284-V305 HydrophobicContact CZ-CG1 4.28Å; F284-V305 HydrophobicContact CZ-CG2 4.3Å; H285-V305 PolarHBondContact N-O 3.22Å; W301-V305 HydrophobicContact CE3-CG2 4.46Å; W301-V305 HydrophobicContact CH2-CG1 3.97Å; W301-V305 HydrophobicContact CZ3-CB 4.33Å; W301-V305 HydrophobicContact CZ3-CG1 3.84Å; W301-V305 HydrophobicContact CZ3-CG2 4.05Å; V305-L317 HydrophobicContact CG1-CB 4.32Å; V305-L317 HydrophobicContact CG1-CD1 4Å; V305-L317 HydrophobicContact CG1-CD2 4.05Å; V305-L317 HydrophobicContact CG1-CG 4.37Å; V305-V321 HydrophobicContact CG2-CG1 4.19Å
306	P	98.9	Very high	98.3	Very high	35 Å²	35	45.2 Å²	45.2	23%	0.227	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	138.4	172.4	32	-35.5	0	0	0	110	P300 W301 Y304 L317	P300-P306 HydrophobicContact CB-CB 3.95Å; P300-P306 HydrophobicContact CB-CG 3.74Å; W301-P306 HydrophobicContact CD2-CG 4.1Å; W301-P306 VanDerWaalsContact CE2-CG 3.48Å; W301-P306 HydrophobicContact CG-CG 4.47Å; W301-P306 HydrophobicContact CZ2-CG 3.72Å; Y304-P306 HydrophobicContact CE2-CB 4.09Å; Y304-P306 WeakPolarHBondContact O-CD 3.5Å; P306-L317 WeakPolarHBondContact O-CD1 3.36Å
307	V	98.8	Very high	98.4	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.5	177.3	-175.9	0	0	0	0	108.4	F262 F284 H285 V286 G287 L311 D313 V314 L317	F262-V307 HydrophobicContact CE1-CG2 4.44Å; F284-V307 HydrophobicContact CB-CG2 3.94Å; F284-V307 HydrophobicContact CD1-CG2 3.63Å; F284-V307 HydrophobicContact CG-CG2 4.26Å; H285-V307 PolarHBondContact O-N 3.33Å; V286-V307 WeakPolarHBondContact CA-O 3.4Å; V286-V307 HydrophobicContact CB-CB 4.46Å; V286-V307 HydrophobicContact CG2-CB 3.83Å; V286-V307 HydrophobicContact CG2-CG1 4Å; V286-V307 HydrophobicContact CG2-CG2 4.37Å; G287-V307 PolarHBondContact N-O 3.06Å; V307-L311 HydrophobicContact CG1-CG 4.2Å; V307-D313 WeakPolarHBondContact CG1-OD1 3.16Å; V307-V314 HydrophobicContact CG1-CB 4.34Å; V307-L317 HydrophobicContact CB-CD1 4.34Å; V307-L317 HydrophobicContact CG1-CD1 4.38Å; V307-L317 HydrophobicContact CG2-CD1 3.94Å
308	K	98.6	Very high	98.5	Very high	119 Å²	119	41.6 Å²	41.6	52%	0.517	21%	0.206	S	C	.	.			trans	-57.6	144.3	175.8	-74.9	167.6	-173.4	172.7	0	110.7	N310 L311 S312 D313	K308-N310 WeakPolarHBondContact CB-OD1 3.33Å; K308-N310 PolarHBondContact O-N 2.85Å; K308-N310 VanDerWaalsContact O-N 3.09Å; K308-L311 WeakPolarHBondContact O-CA 3.24Å; K308-L311 PolarHBondContact O-N 3.45Å; K308-S312 WeakPolarHBondContact CD-OG 3.45Å; K308-D313 HydrophobicContact CD-CB 4.26Å; K308-D313 WeakPolarHBondContact CD-OD2 3.35Å; K308-D313 VanDerWaalsContact CG-OD2 3.25Å; K308-D313 WeakPolarHBondContact CG-OD2 3.18Å; K308-D313 PolarHBondContact N-OD1 2.99Å; K308-D313 VanDerWaalsContact N-OD1 3.09Å; K308-D313 PolarHBondContact N-OD2 3.37Å
309	Q	96.9	Very high	98.5	Very high	71 Å²	71	45.1 Å²	45.1	33%	0.332	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30	-178	-172.2	175.7	-11.2	0	0	113.6	E210	E210-Q309 VanDerWaalsContact CD-NE2 3.31Å; E210-Q309 HydrophobicContact CG-CG 4.11Å; E210-Q309 PolarHBondContact OE1-NE2 2.78Å
310	N	97.1	Very high	98.5	Very high	105 Å²	105	41.3 Å²	41.3	56%	0.561	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	1.3	176.9	69.9	-0.5	0	0	0	114.4	K308 S312	K308-N310 WeakPolarHBondContact CB-OD1 3.33Å; K308-N310 PolarHBondContact O-N 2.85Å; K308-N310 VanDerWaalsContact O-N 3.09Å; N310-S312 PolarHBondContact O-N 3.21Å; N310-S312 VanDerWaalsContact OD1-CB 3.24Å; N310-S312 WeakPolarHBondContact OD1-CB 3.42Å; N310-S312 PolarHBondContact OD1-N 3.23Å; N310-S312 PolarHBondContact OD1-OG 2.83Å
311	L	98.3	Very high	98.4	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.052	19%	0.19	C	C	.	.			trans	60.5	17.6	-178.2	-84.2	71.5	0	0	0	115.4	P213 L214 F264 V286 V307 K308 D313 V314	P213-L311 HydrophobicContact CB-CB 3.99Å; P213-L311 HydrophobicContact CB-CD2 4.12Å; L214-L311 HydrophobicContact CB-CD2 3.57Å; L214-L311 HydrophobicContact CD1-CD2 4.04Å; L214-L311 HydrophobicContact CG-CD2 4.38Å; F264-L311 HydrophobicContact CE1-CD1 3.76Å; F264-L311 HydrophobicContact CE1-CD2 4.19Å; F264-L311 HydrophobicContact CZ-CD1 4.37Å; F264-L311 HydrophobicContact CZ-CD2 4.05Å; V286-L311 HydrophobicContact CB-CD1 4.41Å; V286-L311 HydrophobicContact CG1-CD1 3.49Å; V286-L311 VanDerWaalsContact CG1-CD1 3.49Å; V286-L311 HydrophobicContact CG2-CD1 4Å; V307-L311 HydrophobicContact CG1-CG 4.2Å; K308-L311 WeakPolarHBondContact O-CA 3.24Å; K308-L311 PolarHBondContact O-N 3.45Å; L311-D313 PolarHBondContact O-N 3.05Å; L311-D313 VanDerWaalsContact O-N 3.11Å; L311-V314 HydrophobicContact CB-CB 4.29Å; L311-V314 HydrophobicContact CB-CG1 4.21Å; L311-V314 HydrophobicContact CG-CB 4.38Å; L311-V314 VanDerWaalsContact O-CG1 3.23Å; L311-V314 WeakPolarHBondContact O-CG1 3.36Å; L311-V314 PolarHBondContact O-N 3.31Å; L311-V314 VanDerWaalsContact O-N 3.13Å
312	S	98.3	Very high	98.4	Very high	79 Å²	79	40.5 Å²	40.5	55%	0.552	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.7	-178	52.7	0	0	0	0	114.3	K308 N310	K308-S312 WeakPolarHBondContact CD-OG 3.45Å; N310-S312 PolarHBondContact O-N 3.21Å; N310-S312 VanDerWaalsContact OD1-CB 3.24Å; N310-S312 WeakPolarHBondContact OD1-CB 3.42Å; N310-S312 PolarHBondContact OD1-N 3.23Å; N310-S312 PolarHBondContact OD1-OG 2.83Å
313	D	98.3	Very high	98.4	Very high	19 Å²	19	45.7 Å²	45.7	10%	0.102	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-1.2	-179.3	55.3	-3.4	0	0	0	113.9	V307 K308 L311 R315 E316 L317	V307-D313 WeakPolarHBondContact CG1-OD1 3.16Å; K308-D313 HydrophobicContact CD-CB 4.26Å; K308-D313 WeakPolarHBondContact CD-OD2 3.35Å; K308-D313 VanDerWaalsContact CG-OD2 3.25Å; K308-D313 WeakPolarHBondContact CG-OD2 3.18Å; K308-D313 PolarHBondContact N-OD1 2.99Å; K308-D313 VanDerWaalsContact N-OD1 3.09Å; K308-D313 PolarHBondContact N-OD2 3.37Å; L311-D313 PolarHBondContact O-N 3.05Å; L311-D313 VanDerWaalsContact O-N 3.11Å; D313-R315 VanDerWaalsContact C-N 3.32Å; D313-R315 PolarHBondContact O-N 3.46Å; D313-E316 PolarHBondContact O-N 3.38Å; D313-L317 HydrophobicContact CB-CD1 4.15Å; D313-L317 HydrophobicContact CB-CG 4.29Å; D313-L317 VanDerWaalsContact O-CG 3.27Å; D313-L317 WeakPolarHBondContact O-CG 3.45Å; D313-L317 PolarHBondContact O-N 3.49Å
314	V	98.5	Very high	98.3	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-36.3	-169	72.5	0	0	0	0	113.9	L214 L217 F262 V307 L311 L318	L214-V314 HydrophobicContact CD1-CG2 4.34Å; L217-V314 HydrophobicContact CD2-CG1 3.54Å; L217-V314 HydrophobicContact CD2-CG2 4.49Å; F262-V314 HydrophobicContact CE1-CG2 3.54Å; F262-V314 HydrophobicContact CZ-CG2 3.56Å; V307-V314 HydrophobicContact CG1-CB 4.34Å; L311-V314 HydrophobicContact CB-CB 4.29Å; L311-V314 HydrophobicContact CB-CG1 4.21Å; L311-V314 HydrophobicContact CG-CB 4.38Å; L311-V314 VanDerWaalsContact O-CG1 3.23Å; L311-V314 WeakPolarHBondContact O-CG1 3.36Å; L311-V314 PolarHBondContact O-N 3.31Å; L311-V314 VanDerWaalsContact O-N 3.13Å; V314-L318 HydrophobicContact CG2-CD1 4.17Å; V314-L318 WeakPolarHBondContact O-CB 3.41Å; V314-L318 VanDerWaalsContact O-CG 3.31Å; V314-L318 WeakPolarHBondContact O-CG 3.37Å; V314-L318 PolarHBondContact O-N 3.42Å
315	R	98.4	Very high	98.3	Very high	105 Å²	105	47.5 Å²	47.5	40%	0.396	23%	0.234	S	C	.	.	H	α-helix	trans	-69.8	-43.9	179.8	-71.2	179.9	176.8	-98.3	9.4	111.4	L217 E220 L224 D313 L318 Q319	L217-R315 HydrophobicContact CD1-CG 4.29Å; L217-R315 HydrophobicContact CD2-CG 4.38Å; E220-R315 IonicContact OE1-CZ 3.31Å; E220-R315 IonicContact OE1-NH2 3.67Å; E220-R315 PolarHBondContact OE1-NH2 3.31Å; E220-R315 IonicContact OE2-NH2 2.69Å; E220-R315 PolarHBondContact OE2-NH2 2.87Å; L224-R315 HydrophobicContact CD2-CG 4.23Å; D313-R315 VanDerWaalsContact C-N 3.32Å; D313-R315 PolarHBondContact O-N 3.46Å; R315-L318 PolarHBondContact O-N 2.9Å; R315-Q319 WeakPolarHBondContact O-CB 3.5Å; R315-Q319 PolarHBondContact O-N 2.76Å
316	E	98.3	Very high	98.3	Very high	105 Å²	105	51.2 Å²	51.2	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-60.6	-47.7	175.6	-178.1	-177	-164.6	0	0	110.4	W25 D313 L318 Q319 F320	W25-E316 HydrophobicContact CH2-CG 4.42Å; W25-E316 HydrophobicContact CZ3-CG 3.86Å; D313-E316 PolarHBondContact O-N 3.38Å; E316-L318 PolarHBondContact O-N 2.82Å; E316-Q319 PolarHBondContact O-N 3.36Å; E316-F320 WeakPolarHBondContact O-CB 3.49Å; E316-F320 PolarHBondContact O-N 3.42Å
317	L	98.8	Very high	98.3	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-41	178.9	-65.8	174.6	0	0	0	112.7	I28 F284 W301 V305 P306 V307 D313 Q319 F320 V321	I28-L317 HydrophobicContact CD1-CD2 4.33Å; F284-L317 HydrophobicContact CE1-CB 3.85Å; W301-L317 HydrophobicContact CH2-CD2 3.58Å; W301-L317 HydrophobicContact CZ2-CD2 4.38Å; W301-L317 HydrophobicContact CZ3-CD2 4.48Å; V305-L317 HydrophobicContact CG1-CB 4.32Å; V305-L317 HydrophobicContact CG1-CD1 4Å; V305-L317 HydrophobicContact CG1-CD2 4.05Å; V305-L317 HydrophobicContact CG1-CG 4.37Å; P306-L317 WeakPolarHBondContact O-CD1 3.36Å; V307-L317 HydrophobicContact CB-CD1 4.34Å; V307-L317 HydrophobicContact CG1-CD1 4.38Å; V307-L317 HydrophobicContact CG2-CD1 3.94Å; D313-L317 HydrophobicContact CB-CD1 4.15Å; D313-L317 HydrophobicContact CB-CG 4.29Å; D313-L317 VanDerWaalsContact O-CG 3.27Å; D313-L317 WeakPolarHBondContact O-CG 3.45Å; D313-L317 PolarHBondContact O-N 3.49Å; L317-Q319 VanDerWaalsContact C-N 3.34Å; L317-F320 PolarHBondContact O-N 2.98Å; L317-V321 WeakPolarHBondContact O-CG1 3.47Å; L317-V321 WeakPolarHBondContact O-CG2 3.25Å; L317-V321 PolarHBondContact O-N 2.95Å; L317-V321 VanDerWaalsContact O-N 3.12Å
318	L	98.7	Very high	98.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.9	-36	175	-77.4	171.1	0	0	0	112.2	L224 V225 Y260 F262 F284 V314 R315 E316 V321 K322	L224-L318 HydrophobicContact CD1-CB 4.06Å; L224-L318 HydrophobicContact CD1-CD1 4.01Å; L224-L318 HydrophobicContact CD2-CD1 4.33Å; L224-L318 HydrophobicContact CG-CD1 3.92Å; V225-L318 HydrophobicContact CG2-CD1 3.7Å; Y260-L318 HydrophobicContact CD2-CD2 3.89Å; Y260-L318 HydrophobicContact CG-CD2 4.17Å; F262-L318 HydrophobicContact CE2-CD2 4.27Å; F262-L318 HydrophobicContact CZ-CD1 4.25Å; F262-L318 HydrophobicContact CZ-CD2 4.23Å; F262-L318 HydrophobicContact CZ-CG 4.35Å; F284-L318 HydrophobicContact CE1-CD2 4.18Å; F284-L318 HydrophobicContact CE1-CG 4.38Å; F284-L318 HydrophobicContact CE2-CD2 4.46Å; F284-L318 HydrophobicContact CZ-CD2 3.98Å; V314-L318 HydrophobicContact CG2-CD1 4.17Å; V314-L318 WeakPolarHBondContact O-CB 3.41Å; V314-L318 VanDerWaalsContact O-CG 3.31Å; V314-L318 WeakPolarHBondContact O-CG 3.37Å; V314-L318 PolarHBondContact O-N 3.42Å; R315-L318 PolarHBondContact O-N 2.9Å; E316-L318 PolarHBondContact O-N 2.82Å; L318-V321 WeakPolarHBondContact O-CG2 3.16Å; L318-K322 VanDerWaalsContact O-CG 3.26Å; L318-K322 WeakPolarHBondContact O-CG 3.31Å; L318-K322 PolarHBondContact O-N 3.4Å
319	Q	98.3	Very high	98.3	Very high	81 Å²	81	48.6 Å²	48.6	38%	0.379	25%	0.247	S	C	.	.	H	α-helix	trans	-68.2	-46	174.8	-168	65.4	23.8	0	0	111	W25 R315 E316 L317 V321 K322 E323	W25-Q319 HydrophobicContact CH2-CB 4.01Å; W25-Q319 HydrophobicContact CH2-CG 4.03Å; W25-Q319 HydrophobicContact CZ2-CB 4.2Å; W25-Q319 HydrophobicContact CZ2-CG 3.78Å; R315-Q319 WeakPolarHBondContact O-CB 3.5Å; R315-Q319 PolarHBondContact O-N 2.76Å; E316-Q319 PolarHBondContact O-N 3.36Å; L317-Q319 VanDerWaalsContact C-N 3.34Å; Q319-V321 PolarHBondContact O-N 2.93Å; Q319-K322 WeakPolarHBondContact O-CB 3.39Å; Q319-K322 PolarHBondContact O-N 3.49Å; Q319-K322 VanDerWaalsContact O-N 3.14Å; Q319-E323 PolarHBondContact NE2-OE1 2.97Å; Q319-E323 PolarHBondContact O-N 2.89Å
320	F	98.5	Very high	98.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-52.4	-52.7	176.8	166	-107.2	0	0	0	111.9	W25 I28 Q29 W301 E316 L317 K322 E323 N324 V327	W25-F320 HydrophobicContact CB-CD2 3.78Å; W25-F320 HydrophobicContact CB-CE2 3.99Å; W25-F320 HydrophobicContact CD2-CB 4.18Å; W25-F320 AromaticContact CD2-CD2 3.83Å; W25-F320 HydrophobicContact CD2-CD2 3.83Å; W25-F320 HydrophobicContact CE3-CB 3.84Å; W25-F320 AromaticContact CE3-CD2 3.93Å; W25-F320 HydrophobicContact CE3-CD2 3.93Å; W25-F320 HydrophobicContact CE3-CG 4.33Å; W25-F320 AromaticContact CG-CD2 3.78Å; W25-F320 HydrophobicContact CG-CD2 3.78Å; W25-F320 HydrophobicContact CG-CE2 4.41Å; W25-F320 HydrophobicContact CH2-CB 4.36Å; W25-F320 HydrophobicContact CZ3-CB 3.94Å; I28-F320 HydrophobicContact CB-CD2 4.1Å; I28-F320 HydrophobicContact CB-CE1 4.48Å; I28-F320 HydrophobicContact CB-CE2 3.97Å; I28-F320 HydrophobicContact CB-CG 4.41Å; I28-F320 HydrophobicContact CB-CZ 4.17Å; I28-F320 HydrophobicContact CD1-CB 4.05Å; I28-F320 HydrophobicContact CD1-CD1 4.45Å; I28-F320 HydrophobicContact CD1-CD2 4.21Å; I28-F320 HydrophobicContact CD1-CG 3.96Å; I28-F320 HydrophobicContact CG2-CD1 3.69Å; I28-F320 HydrophobicContact CG2-CD2 4.02Å; I28-F320 HydrophobicContact CG2-CE1 3.43Å; I28-F320 VanDerWaalsContact CG2-CE1 3.43Å; I28-F320 HydrophobicContact CG2-CE2 3.78Å; I28-F320 HydrophobicContact CG2-CG 3.99Å; I28-F320 HydrophobicContact CG2-CZ 3.48Å; I28-F320 VanDerWaalsContact CG2-CZ 3.48Å; Q29-F320 HydrophobicContact CG-CE2 4.01Å; W301-F320 HydrophobicContact CZ3-CE1 4.45Å; E316-F320 WeakPolarHBondContact O-CB 3.49Å; E316-F320 PolarHBondContact O-N 3.42Å; L317-F320 PolarHBondContact O-N 2.98Å; F320-K322 VanDerWaalsContact C-N 3.27Å; F320-K322 PolarHBondContact O-N 2.81Å; F320-E323 PolarHBondContact O-N 2.88Å; F320-N324 HydrophobicContact CD2-CB 4.34Å; F320-N324 VanDerWaalsContact CD2-ND2 3.28Å; F320-N324 WeakPolarHBondContact CD2-ND2 3.4Å; F320-N324 HydrophobicContact CE2-CB 3.93Å; F320-N324 WeakPolarHBondContact CE2-ND2 3.41Å; F320-N324 HydrophobicContact CZ-CB 4.2Å; F320-N324 VanDerWaalsContact O-CB 3.31Å; F320-N324 WeakPolarHBondContact O-CB 3.36Å; F320-N324 PolarHBondContact O-N 3.27Å; F320-N324 PolarHBondContact O-ND2 3.36Å; F320-V327 HydrophobicContact CZ-CG1 4.24Å
321	V	98.5	Very high	98.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-71	-21.5	-177	-59.5	0	0	0	0	113.5	Y260 L282 F284 V305 L317 L318 Q319 A328	Y260-V321 HydrophobicContact CD1-CG2 3.92Å; Y260-V321 HydrophobicContact CE1-CB 4.16Å; Y260-V321 HydrophobicContact CE1-CG2 3.51Å; Y260-V321 HydrophobicContact CE2-CG2 4.3Å; Y260-V321 HydrophobicContact CG-CG2 4.48Å; L282-V321 HydrophobicContact CD2-CB 4.07Å; L282-V321 HydrophobicContact CD2-CG1 3.62Å; F284-V321 HydrophobicContact CE2-CG2 4.29Å; F284-V321 HydrophobicContact CZ-CB 4.45Å; F284-V321 HydrophobicContact CZ-CG1 3.9Å; F284-V321 HydrophobicContact CZ-CG2 3.74Å; V305-V321 HydrophobicContact CG2-CG1 4.19Å; L317-V321 WeakPolarHBondContact O-CG1 3.47Å; L317-V321 WeakPolarHBondContact O-CG2 3.25Å; L317-V321 PolarHBondContact O-N 2.95Å; L317-V321 VanDerWaalsContact O-N 3.12Å; L318-V321 WeakPolarHBondContact O-CG2 3.16Å; Q319-V321 PolarHBondContact O-N 2.93Å; V321-A328 HydrophobicContact CB-CB 3.86Å; V321-A328 HydrophobicContact CG1-CB 4.29Å
322	K	97.9	Very high	98.5	Very high	72 Å²	72	44.7 Å²	44.7	31%	0.313	23%	0.226	S	C	.	.	H	α-helix	trans	-74	-42.1	173	-79	175.9	176.3	-171.5	0	111.1	A198 Y260 L318 Q319 F320	A198-K322 WeakPolarHBondContact O-CE 3.49Å; Y260-K322 HydrophobicContact CE2-CG 4.07Å; Y260-K322 WeakPolarHBondContact OH-CG 3.32Å; L318-K322 VanDerWaalsContact O-CG 3.26Å; L318-K322 WeakPolarHBondContact O-CG 3.31Å; L318-K322 PolarHBondContact O-N 3.4Å; Q319-K322 WeakPolarHBondContact O-CB 3.39Å; Q319-K322 PolarHBondContact O-N 3.49Å; Q319-K322 VanDerWaalsContact O-N 3.14Å; F320-K322 VanDerWaalsContact C-N 3.27Å; F320-K322 PolarHBondContact O-N 2.81Å
323	E	98	Very high	98.5	Very high	111 Å²	111	43.5 Å²	43.5	52%	0.519	22%	0.218	S	C	.	.	H	α-helix	trans	-81.5	-18.3	179.7	-66.7	-176.4	-168.4	0	0	113	W25 Q319 F320	W25-E323 PolarHBondContact NE1-OE2 3.36Å; Q319-E323 PolarHBondContact NE2-OE1 2.97Å; Q319-E323 PolarHBondContact O-N 2.89Å; F320-E323 PolarHBondContact O-N 2.88Å
324	N	98.3	Very high	98.6	Very high	19 Å²	19	45.1 Å²	45.1	10%	0.102	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	51.9	179.3	-60.3	-96.9	0	0	0	110.9	W25 Q29 F320 S326 V327 A328	W25-N324 VanDerWaalsContact CD1-ND2 3.26Å; Q29-N324 PolarHBondContact NE2-OD1 2.67Å; F320-N324 HydrophobicContact CD2-CB 4.34Å; F320-N324 VanDerWaalsContact CD2-ND2 3.28Å; F320-N324 WeakPolarHBondContact CD2-ND2 3.4Å; F320-N324 HydrophobicContact CE2-CB 3.93Å; F320-N324 WeakPolarHBondContact CE2-ND2 3.41Å; F320-N324 HydrophobicContact CZ-CB 4.2Å; F320-N324 VanDerWaalsContact O-CB 3.31Å; F320-N324 WeakPolarHBondContact O-CB 3.36Å; F320-N324 PolarHBondContact O-N 3.27Å; F320-N324 PolarHBondContact O-ND2 3.36Å; N324-S326 VanDerWaalsContact C-N 3.27Å; N324-S326 PolarHBondContact O-N 2.73Å; N324-V327 HydrophobicContact CB-CB 4.2Å; N324-V327 HydrophobicContact CB-CG2 4.26Å; N324-V327 WeakPolarHBondContact O-CB 3.48Å; N324-V327 PolarHBondContact O-N 2.97Å; N324-V327 VanDerWaalsContact O-N 3.1Å; N324-A328 PolarHBondContact O-N 2.94Å
325	D	98.6	Very high	98.6	Very high	48 Å²	48	44.8 Å²	44.8	26%	0.257	22%	0.22	S	C	.	.	H	α-helix	trans	-59.6	-32.4	-170.5	-167.7	66.4	0	0	0	113.9	W193 K259 A328 Q329	W193-D325 WeakPolarHBondContact CZ2-OD1 3.25Å; W193-D325 VanDerWaalsContact NE1-CG 3.29Å; W193-D325 PolarHBondContact NE1-OD1 3.06Å; W193-D325 PolarHBondContact NE1-OD2 2.78Å; K259-D325 VanDerWaalsContact NZ-CG 3.33Å; K259-D325 IonicContact NZ-OD1 2.67Å; K259-D325 PolarHBondContact NZ-OD1 3.19Å; K259-D325 IonicContact NZ-OD2 3.28Å; K259-D325 PolarHBondContact NZ-OD2 3.14Å; D325-A328 WeakPolarHBondContact O-CB 3.48Å; D325-A328 PolarHBondContact O-N 2.89Å; D325-Q329 WeakPolarHBondContact O-CB 3.44Å; D325-Q329 PolarHBondContact O-N 3.11Å
326	S	98.4	Very high	98.6	Very high	77 Å²	77	41.9 Å²	41.9	54%	0.538	21%	0.211	S	C	.	.	H	α-helix	trans	-64.7	-48	174.8	52.8	0	0	0	0	111.7	N324 A328 Q329 E330	N324-S326 VanDerWaalsContact C-N 3.27Å; N324-S326 PolarHBondContact O-N 2.73Å; S326-A328 VanDerWaalsContact C-N 3.29Å; S326-A328 PolarHBondContact O-N 2.68Å; S326-Q329 PolarHBondContact O-N 3.14Å; S326-E330 WeakPolarHBondContact O-CG 3.28Å; S326-E330 PolarHBondContact O-N 3.43Å
327	V	98.6	Very high	98.6	Very high	28 Å²	28	42.3 Å²	42.3	17%	0.17	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-43.5	175.8	-179.6	0	0	0	0	110.1	V32 F320 N324 Q329 E330 I331	V32-V327 HydrophobicContact CG1-CG1 4.03Å; V32-V327 HydrophobicContact CG2-CG1 4.41Å; F320-V327 HydrophobicContact CZ-CG1 4.24Å; N324-V327 HydrophobicContact CB-CB 4.2Å; N324-V327 HydrophobicContact CB-CG2 4.26Å; N324-V327 WeakPolarHBondContact O-CB 3.48Å; N324-V327 PolarHBondContact O-N 2.97Å; N324-V327 VanDerWaalsContact O-N 3.1Å; V327-Q329 PolarHBondContact O-N 3.44Å; V327-E330 PolarHBondContact O-N 3.38Å; V327-I331 HydrophobicContact CG1-CD1 4.15Å; V327-I331 WeakPolarHBondContact O-CG1 3.49Å; V327-I331 PolarHBondContact O-N 3.25Å; V327-I331 VanDerWaalsContact O-N 3.07Å
328	A	98.9	Very high	98.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.5	-44.7	176.2	0	0	0	0	0	112.4	W193 L282 V321 N324 D325 S326 I331 A332	W193-A328 HydrophobicContact CH2-CB 4.05Å; W193-A328 HydrophobicContact CZ2-CB 3.84Å; L282-A328 HydrophobicContact CD2-CB 3.77Å; V321-A328 HydrophobicContact CB-CB 3.86Å; V321-A328 HydrophobicContact CG1-CB 4.29Å; N324-A328 PolarHBondContact O-N 2.94Å; D325-A328 WeakPolarHBondContact O-CB 3.48Å; D325-A328 PolarHBondContact O-N 2.89Å; S326-A328 VanDerWaalsContact C-N 3.29Å; S326-A328 PolarHBondContact O-N 2.68Å; A328-I331 PolarHBondContact O-N 2.8Å; A328-A332 WeakPolarHBondContact O-CB 3.33Å; A328-A332 PolarHBondContact O-N 3.19Å
329	Q	98.9	Very high	98.5	Very high	77 Å²	77	42.2 Å²	42.2	36%	0.36	21%	0.213	S	C	.	.	H	α-helix	trans	-63.7	-40.6	177.4	-172.6	177.7	-0.3	0	0	112	W193 D325 S326 V327 A332 S333	W193-Q329 HydrophobicContact CB-CG 4.16Å; W193-Q329 HydrophobicContact CD2-CB 3.89Å; W193-Q329 HydrophobicContact CD2-CG 3.79Å; W193-Q329 HydrophobicContact CE3-CB 4.48Å; W193-Q329 HydrophobicContact CE3-CG 4.32Å; W193-Q329 HydrophobicContact CG-CB 4.12Å; W193-Q329 HydrophobicContact CG-CG 3.68Å; W193-Q329 HydrophobicContact CZ2-CB 4.07Å; D325-Q329 WeakPolarHBondContact O-CB 3.44Å; D325-Q329 PolarHBondContact O-N 3.11Å; S326-Q329 PolarHBondContact O-N 3.14Å; V327-Q329 PolarHBondContact O-N 3.44Å; Q329-A332 PolarHBondContact O-N 2.88Å; Q329-S333 WeakPolarHBondContact O-CB 3.48Å; Q329-S333 PolarHBondContact O-N 3Å; Q329-S333 PolarHBondContact O-OG 2.83Å
330	E	98.9	Very high	98.5	Very high	104 Å²	104	40.5 Å²	40.5	49%	0.486	21%	0.206	S	C	.	.	H	α-helix	trans	-64.6	-43.8	178.6	-74.1	179.5	-165.3	0	0	112.2	S326 V327 S333 R334	S326-E330 WeakPolarHBondContact O-CG 3.28Å; S326-E330 PolarHBondContact O-N 3.43Å; V327-E330 PolarHBondContact O-N 3.38Å; E330-S333 PolarHBondContact O-N 2.88Å; E330-R334 WeakPolarHBondContact O-CG 3.48Å; E330-R334 PolarHBondContact O-N 3.2Å; E330-R334 IonicContact OE2-NH1 2.75Å
331	I	98.9	Very high	98.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-47.3	175.1	-61.8	168.7	0	0	0	109.9	V32 L282 W301 H303 V327 A328 S333 R334 G335	V32-I331 HydrophobicContact CG1-CD1 4.38Å; V32-I331 HydrophobicContact CG2-CD1 4.15Å; L282-I331 HydrophobicContact CD1-CB 3.72Å; L282-I331 HydrophobicContact CD1-CG2 3.46Å; L282-I331 VanDerWaalsContact CD1-CG2 3.46Å; W301-I331 WeakPolarHBondContact O-CG1 3.44Å; H303-I331 VanDerWaalsContact C-CG2 3.47Å; V327-I331 HydrophobicContact CG1-CD1 4.15Å; V327-I331 WeakPolarHBondContact O-CG1 3.49Å; V327-I331 PolarHBondContact O-N 3.25Å; V327-I331 VanDerWaalsContact O-N 3.07Å; A328-I331 PolarHBondContact O-N 2.8Å; I331-S333 VanDerWaalsContact C-N 3.3Å; I331-S333 PolarHBondContact O-N 2.85Å; I331-R334 VanDerWaalsContact CG1-NH2 3.31Å; I331-R334 PolarHBondContact O-N 2.72Å; I331-G335 PolarHBondContact O-N 3.38Å
332	A	98.9	Very high	98.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-41.9	178	0	0	0	0	0	112.1	W193 L282 A328 Q329 G335 Q336	W193-A332 HydrophobicContact CE3-CB 4.38Å; W193-A332 HydrophobicContact CH2-CB 4.39Å; W193-A332 HydrophobicContact CZ3-CB 3.74Å; L282-A332 HydrophobicContact CB-CB 4.05Å; L282-A332 HydrophobicContact CD1-CB 4.3Å; A328-A332 WeakPolarHBondContact O-CB 3.33Å; A328-A332 PolarHBondContact O-N 3.19Å; Q329-A332 PolarHBondContact O-N 2.88Å; A332-G335 PolarHBondContact O-N 3.01Å; A332-Q336 WeakPolarHBondContact O-CB 3.19Å; A332-Q336 PolarHBondContact O-N 2.97Å
333	S	98.8	Very high	98.1	Very high	54 Å²	54	41 Å²	41	38%	0.378	21%	0.211	S	C	.	.	H	α-helix	trans	-65.8	-46.3	-179.7	-57.3	0	0	0	0	111.4	Q329 E330 I331 G335 Q336 E337	Q329-S333 WeakPolarHBondContact O-CB 3.48Å; Q329-S333 PolarHBondContact O-N 3Å; Q329-S333 PolarHBondContact O-OG 2.83Å; E330-S333 PolarHBondContact O-N 2.88Å; I331-S333 VanDerWaalsContact C-N 3.3Å; I331-S333 PolarHBondContact O-N 2.85Å; S333-G335 PolarHBondContact O-N 3.18Å; S333-Q336 PolarHBondContact O-N 3.09Å; S333-E337 WeakPolarHBondContact O-CB 3.41Å; S333-E337 PolarHBondContact O-N 2.92Å
334	R	98.8	Very high	98	Very high	53 Å²	53	39.9 Å²	39.9	20%	0.2	21%	0.206	C	C	.	.	H	α-helix	trans	-61	-43	175.2	-72.6	-174.8	-65.5	-97.7	3.3	111.9	V302 E330 I331 E337 F338	V302-R334 WeakPolarHBondContact O-CB 3.5Å; V302-R334 PolarHBondContact O-NE 3.3Å; E330-R334 WeakPolarHBondContact O-CG 3.48Å; E330-R334 PolarHBondContact O-N 3.2Å; E330-R334 IonicContact OE2-NH1 2.75Å; I331-R334 VanDerWaalsContact CG1-NH2 3.31Å; I331-R334 PolarHBondContact O-N 2.72Å; R334-E337 PolarHBondContact O-N 3.47Å; R334-F338 WeakPolarHBondContact O-CB 3.46Å; R334-F338 PolarHBondContact O-N 3.46Å
335	G	98.8	Very high	98	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62	-44	176.1	0	0	0	0	0	113.1	I331 A332 S333 I339	I331-G335 PolarHBondContact O-N 3.38Å; A332-G335 PolarHBondContact O-N 3.01Å; S333-G335 PolarHBondContact O-N 3.18Å; G335-I339 PolarHBondContact O-N 2.86Å
336	Q	98.8	Very high	97.9	Very high	44 Å²	44	40.9 Å²	40.9	21%	0.206	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-48.4	175.2	-174.9	178.2	35.5	0	0	111.6	F277 L278 G280 A332 S333 F338 I339 L340	F277-Q336 VanDerWaalsContact O-CB 3.28Å; F277-Q336 WeakPolarHBondContact O-CB 3.34Å; F277-Q336 WeakPolarHBondContact O-CG 3.41Å; L278-Q336 PolarHBondContact O-NE2 2.67Å; G280-Q336 VanDerWaalsContact CA-CD 3.44Å; A332-Q336 WeakPolarHBondContact O-CB 3.19Å; A332-Q336 PolarHBondContact O-N 2.97Å; S333-Q336 PolarHBondContact O-N 3.09Å; Q336-F338 VanDerWaalsContact C-N 3.33Å; Q336-F338 PolarHBondContact O-N 3.07Å; Q336-I339 PolarHBondContact O-N 3.39Å; Q336-L340 HydrophobicContact CG-CD1 3.93Å; Q336-L340 HydrophobicContact CG-CG 4.41Å; Q336-L340 WeakPolarHBondContact O-CB 3.49Å; Q336-L340 WeakPolarHBondContact O-CG 3.47Å; Q336-L340 PolarHBondContact O-N 2.94Å
337	E	98.1	Very high	97.7	Very high	113 Å²	113	38.4 Å²	38.4	53%	0.528	20%	0.202	S	C	.	.	H	α-helix	trans	-59.6	-43.5	179.5	-176	175.8	-172.1	0	0	111.6	S333 R334 I339 L340 N341	S333-E337 WeakPolarHBondContact O-CB 3.41Å; S333-E337 PolarHBondContact O-N 2.92Å; R334-E337 PolarHBondContact O-N 3.47Å; E337-I339 PolarHBondContact O-N 3.05Å; E337-L340 PolarHBondContact O-N 3.46Å; E337-N341 VanDerWaalsContact CG-ND2 3.27Å; E337-N341 WeakPolarHBondContact CG-ND2 3.43Å; E337-N341 WeakPolarHBondContact O-CB 3.49Å; E337-N341 PolarHBondContact O-N 2.96Å; E337-N341 PolarHBondContact O-ND2 3.13Å
338	F	97.9	Very high	97.7	Very high	5 Å²	5	37 Å²	37	2%	0.022	19%	0.194	C	C	.	.	H	α-helix	trans	-57.8	-48.3	177.9	-179.7	-87.4	0	0	0	111.9	Q297 L298 H303 R334 Q336 N341 H342	Q297-F338 HydrophobicContact CB-CE1 4.28Å; Q297-F338 HydrophobicContact CB-CE2 3.93Å; Q297-F338 HydrophobicContact CB-CZ 3.37Å; Q297-F338 HydrophobicContact CG-CZ 4.46Å; L298-F338 HydrophobicContact CD2-CD1 3.46Å; L298-F338 VanDerWaalsContact CD2-CD1 3.46Å; L298-F338 HydrophobicContact CD2-CE1 3.86Å; L298-F338 HydrophobicContact CD2-CG 4.21Å; L298-F338 HydrophobicContact CG-CD1 4.22Å; L298-F338 HydrophobicContact CG-CE1 4.11Å; H303-F338 AromaticContact CD2-CG 3.96Å; H303-F338 AromaticContact NE2-CD2 3.66Å; H303-F338 AromaticContact NE2-CG 3.84Å; R334-F338 WeakPolarHBondContact O-CB 3.46Å; R334-F338 PolarHBondContact O-N 3.46Å; Q336-F338 VanDerWaalsContact C-N 3.33Å; Q336-F338 PolarHBondContact O-N 3.07Å; F338-N341 PolarHBondContact O-N 3.2Å; F338-H342 HydrophobicContact CD2-CB 4.43Å; F338-H342 AromaticContact CD2-CD2 3.56Å; F338-H342 HydrophobicContact CE1-CB 4.33Å; F338-H342 HydrophobicContact CE2-CB 4.05Å; F338-H342 AromaticContact CE2-CD2 3.77Å; F338-H342 HydrophobicContact CZ-CB 3.96Å; F338-H342 WeakPolarHBondContact O-CA 3.31Å; F338-H342 WeakPolarHBondContact O-CB 3.5Å; F338-H342 PolarHBondContact O-N 3.09Å
339	I	98.1	Very high	97.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69.9	-34.3	179.8	-63.4	-64.3	0	0	0	111.7	W177 R181 F277 L278 F294 L298 G335 Q336 E337 N341 L343	W177-I339 HydrophobicContact CH2-CG2 4.01Å; W177-I339 HydrophobicContact CZ2-CG2 3.76Å; R181-I339 PolarHBondContact NH1-O 2.78Å; F277-I339 HydrophobicContact CB-CB 4.15Å; F277-I339 HydrophobicContact CB-CG1 3.63Å; F277-I339 HydrophobicContact CD2-CD1 4.17Å; F277-I339 HydrophobicContact CD2-CG1 3.7Å; F277-I339 HydrophobicContact CG-CG1 3.78Å; L278-I339 HydrophobicContact CD1-CG2 4.43Å; L278-I339 HydrophobicContact CD2-CB 4.22Å; L278-I339 HydrophobicContact CD2-CG2 3.73Å; L278-I339 HydrophobicContact CG-CG2 3.91Å; F294-I339 HydrophobicContact CD2-CD1 4.43Å; F294-I339 HydrophobicContact CE2-CD1 4.33Å; L298-I339 HydrophobicContact CD1-CD1 4.43Å; L298-I339 HydrophobicContact CD2-CD1 4.19Å; G335-I339 PolarHBondContact O-N 2.86Å; Q336-I339 PolarHBondContact O-N 3.39Å; E337-I339 PolarHBondContact O-N 3.05Å; I339-N341 VanDerWaalsContact C-N 3.33Å; I339-L343 HydrophobicContact CD1-CB 4.32Å; I339-L343 HydrophobicContact CD1-CD2 3.84Å; I339-L343 HydrophobicContact CG2-CB 4.36Å; I339-L343 HydrophobicContact CG2-CD2 4.4Å; I339-L343 PolarHBondContact O-N 2.86Å
340	L	97	Very high	97.5	Very high	44 Å²	44	35.8 Å²	35.8	23%	0.23	19%	0.193	C	C	.	.	H	α-helix	trans	-62.3	-42.5	174.5	-76.9	172	0	0	0	111.3	R181 L278 Q336 E337 Q344	R181-L340 PolarHBondContact NH2-O 3.43Å; L278-L340 HydrophobicContact CD2-CD2 3.59Å; L278-L340 HydrophobicContact CD2-CG 3.74Å; Q336-L340 HydrophobicContact CG-CD1 3.93Å; Q336-L340 HydrophobicContact CG-CG 4.41Å; Q336-L340 WeakPolarHBondContact O-CB 3.49Å; Q336-L340 WeakPolarHBondContact O-CG 3.47Å; Q336-L340 PolarHBondContact O-N 2.94Å; E337-L340 PolarHBondContact O-N 3.46Å; L340-Q344 VanDerWaalsContact O-CG 3.3Å; L340-Q344 WeakPolarHBondContact O-CG 3.41Å
341	N	95.1	Very high	97.5	Very high	68 Å²	68	30.9 Å²	30.9	36%	0.364	17%	0.17	S	C	.	.	H	α-helix	trans	-93.3	-33.2	-170.4	-65.1	-22.4	0	0	0	113.8	E337 F338 I339 Q344	E337-N341 VanDerWaalsContact CG-ND2 3.27Å; E337-N341 WeakPolarHBondContact CG-ND2 3.43Å; E337-N341 WeakPolarHBondContact O-CB 3.49Å; E337-N341 PolarHBondContact O-N 2.96Å; E337-N341 PolarHBondContact O-ND2 3.13Å; F338-N341 PolarHBondContact O-N 3.2Å; I339-N341 VanDerWaalsContact C-N 3.33Å; N341-Q344 PolarHBondContact O-NE2 2.68Å
342	H	95.5	Very high	97.5	Very high	15 Å²	15	30.9 Å²	30.9	7%	0.069	17%	0.17	C	C	.	.	H	α-helix	trans	-119.1	10.4	-167.9	-53.3	-65.5	0	0	0	114.7	C42 H50 F338	C42-H342 PolarHBondContact O-CE1 2.88Å; H50-H342 PolarHBondContact NE2-O 3.33Å; F338-H342 HydrophobicContact CD2-CB 4.43Å; F338-H342 AromaticContact CD2-CD2 3.56Å; F338-H342 HydrophobicContact CE1-CB 4.33Å; F338-H342 HydrophobicContact CE2-CB 4.05Å; F338-H342 AromaticContact CE2-CD2 3.77Å; F338-H342 HydrophobicContact CZ-CB 3.96Å; F338-H342 WeakPolarHBondContact O-CA 3.31Å; F338-H342 WeakPolarHBondContact O-CB 3.5Å; F338-H342 PolarHBondContact O-N 3.09Å
343	L	97	Very high	97.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-137.1	45.6	174	-159.5	68.5	0	0	0	111.1	F159 W177 R181 K274 F293 F294 I339 I348	F159-L343 HydrophobicContact CE1-CD1 4.48Å; F159-L343 HydrophobicContact CE1-CD2 4.25Å; F159-L343 HydrophobicContact CE1-CG 4.2Å; F159-L343 HydrophobicContact CZ-CD1 4.22Å; F159-L343 HydrophobicContact CZ-CD2 4.29Å; F159-L343 HydrophobicContact CZ-CG 4.36Å; W177-L343 HydrophobicContact CZ2-CD2 4.28Å; W177-L343 PolarHBondContact NE1-O 2.87Å; R181-L343 PolarHBondContact NH1-O 3.05Å; R181-L343 VanDerWaalsContact NH1-O 3.1Å; K274-L343 HydrophobicContact CB-CD2 3.85Å; K274-L343 HydrophobicContact CD-CD2 4.22Å; F293-L343 HydrophobicContact CE1-CD1 4.28Å; F293-L343 HydrophobicContact CZ-CD1 3.73Å; F294-L343 HydrophobicContact CB-CD1 3.7Å; F294-L343 HydrophobicContact CD1-CD1 3.95Å; F294-L343 HydrophobicContact CD1-CD2 4.17Å; F294-L343 HydrophobicContact CD2-CD1 4.35Å; F294-L343 HydrophobicContact CD2-CD2 3.94Å; F294-L343 HydrophobicContact CE1-CD2 4.2Å; F294-L343 HydrophobicContact CE2-CD2 3.96Å; F294-L343 HydrophobicContact CG-CD1 3.75Å; F294-L343 HydrophobicContact CG-CD2 4.04Å; F294-L343 HydrophobicContact CZ-CD2 4.08Å; I339-L343 HydrophobicContact CD1-CB 4.32Å; I339-L343 HydrophobicContact CD1-CD2 3.84Å; I339-L343 HydrophobicContact CG2-CB 4.36Å; I339-L343 HydrophobicContact CG2-CD2 4.4Å; I339-L343 PolarHBondContact O-N 2.86Å; L343-I348 HydrophobicContact CD1-CD1 3.83Å; L343-I348 HydrophobicContact CG-CD1 4.33Å
344	Q	96.5	Very high	97.4	Very high	88 Å²	88	34.5 Å²	34.5	41%	0.411	18%	0.18	S	C	.	.			trans	-82.9	162.4	176.2	-54.5	-176	47.2	0	0	110.8	L340 N341 G346 E347 I348	L340-Q344 VanDerWaalsContact O-CG 3.3Å; L340-Q344 WeakPolarHBondContact O-CG 3.41Å; N341-Q344 PolarHBondContact O-NE2 2.68Å; Q344-G346 PolarHBondContact O-N 2.87Å; Q344-E347 HydrophobicContact CB-CG 4.32Å; Q344-E347 WeakPolarHBondContact O-CA 3.38Å; Q344-E347 WeakPolarHBondContact O-CB 3.4Å; Q344-E347 PolarHBondContact O-N 2.67Å; Q344-I348 WeakPolarHBondContact O-CG1 3.23Å; Q344-I348 PolarHBondContact O-N 3.11Å; Q344-I348 VanDerWaalsContact O-N 3.17Å
345	M	97.4	Very high	97.4	Very high	36 Å²	36	32 Å²	32	18%	0.177	17%	0.17	C	C	.	.	H	α-helix	trans	-56.5	-38.4	176.9	-74.5	-59.7	-73.7	0	0	113	F107 W160 W177 D178 E347 I348 T349	F107-M345 HydrophobicContact CE1-CE 3.53Å; F107-M345 HydrophobicContact CZ-CE 3.73Å; W160-M345 HydrophobicContact CE3-CE 4.21Å; W177-M345 HydrophobicContact CB-SD 4.04Å; W177-M345 HydrophobicContact CG-SD 4.47Å; D178-M345 HydrophobicContact CB-CG 3.8Å; M345-E347 VanDerWaalsContact C-N 3.26Å; M345-E347 PolarHBondContact O-N 3.02Å; M345-I348 WeakPolarHBondContact O-CB 3.45Å; M345-I348 PolarHBondContact O-N 3.28Å; M345-T349 PolarHBondContact O-N 3.41Å; M345-T349 PolarHBondContact O-OG1 3.19Å
346	G	96	Very high	97.4	Very high	51 Å²	51	32 Å²	32	53%	0.526	17%	0.17	S	C	.	.	H	α-helix	trans	-59.7	-34.4	174.5	0	0	0	0	0	113.5	Q344 C350	Q344-G346 PolarHBondContact O-N 2.87Å; G346-C350 WeakPolarHBondContact O-CB 3.24Å; G346-C350 PolarHBondContact O-N 3.44Å
347	E	95.2	Very high	97.4	Very high	25 Å²	25	31.9 Å²	31.9	12%	0.117	17%	0.172	C	C	.	.	H	α-helix	trans	-69.9	-36.5	174.9	-61.7	-66.2	125.7	0	0	111.5	C47 Q344 M345 Y351	C47-E347 WeakPolarHBondContact CA-OE2 3.45Å; C47-E347 VanDerWaalsContact CB-OE2 3.23Å; C47-E347 WeakPolarHBondContact CB-OE2 3.25Å; Q344-E347 HydrophobicContact CB-CG 4.32Å; Q344-E347 WeakPolarHBondContact O-CA 3.38Å; Q344-E347 WeakPolarHBondContact O-CB 3.4Å; Q344-E347 PolarHBondContact O-N 2.67Å; M345-E347 VanDerWaalsContact C-N 3.26Å; M345-E347 PolarHBondContact O-N 3.02Å; E347-Y351 WeakPolarHBondContact O-CB 3.42Å; E347-Y351 PolarHBondContact O-N 2.88Å
348	I	97.9	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-51.6	176.5	-53.9	-47.9	0	0	0	110.3	F107 P155 F159 F293 L343 Q344 M345 C350 Y351 W352	F107-I348 HydrophobicContact CD1-CG2 3.94Å; F107-I348 HydrophobicContact CD2-CG2 4.5Å; F107-I348 HydrophobicContact CE1-CB 4.14Å; F107-I348 HydrophobicContact CE1-CG2 3.52Å; F107-I348 HydrophobicContact CE2-CG2 4.15Å; F107-I348 HydrophobicContact CG-CG2 4.41Å; F107-I348 HydrophobicContact CZ-CG2 3.66Å; P155-I348 HydrophobicContact CB-CG2 3.6Å; P155-I348 HydrophobicContact CG-CG2 4.23Å; F159-I348 HydrophobicContact CB-CG2 4.11Å; F159-I348 HydrophobicContact CD1-CD1 3.84Å; F159-I348 HydrophobicContact CD1-CG1 3.81Å; F159-I348 HydrophobicContact CD2-CD1 4.15Å; F159-I348 HydrophobicContact CD2-CG1 4.41Å; F159-I348 HydrophobicContact CD2-CG2 4.12Å; F159-I348 HydrophobicContact CE1-CD1 3.58Å; F159-I348 HydrophobicContact CE1-CG1 4.06Å; F159-I348 HydrophobicContact CE2-CD1 3.94Å; F159-I348 HydrophobicContact CG-CD1 4.13Å; F159-I348 HydrophobicContact CG-CG1 4Å; F159-I348 HydrophobicContact CG-CG2 4.08Å; F159-I348 HydrophobicContact CZ-CD1 3.64Å; F159-I348 HydrophobicContact CZ-CG1 4.5Å; F293-I348 HydrophobicContact CE1-CD1 4.17Å; F293-I348 HydrophobicContact CZ-CD1 3.71Å; L343-I348 HydrophobicContact CD1-CD1 3.83Å; L343-I348 HydrophobicContact CG-CD1 4.33Å; Q344-I348 WeakPolarHBondContact O-CG1 3.23Å; Q344-I348 PolarHBondContact O-N 3.11Å; Q344-I348 VanDerWaalsContact O-N 3.17Å; M345-I348 WeakPolarHBondContact O-CB 3.45Å; M345-I348 PolarHBondContact O-N 3.28Å; I348-C350 VanDerWaalsContact C-N 3.35Å; I348-C350 PolarHBondContact O-N 3Å; I348-Y351 PolarHBondContact O-N 3.1Å; I348-W352 PolarHBondContact O-N 3.2Å; I348-W352 VanDerWaalsContact O-N 3.16Å
349	T	97.9	Very high	97.4	Very high	20 Å²	20	28.6 Å²	28.6	12%	0.123	16%	0.157	C	C	.	.	H	α-helix	trans	-62.2	-42.5	178.3	-56.7	0	0	0	0	111.1	E110 V111 M345 W352 E353	E110-T349 HydrophobicContact CB-CG2 4.06Å; E110-T349 WeakPolarHBondContact OE2-CG2 3.12Å; E110-T349 PolarHBondContact OE2-OG1 3.49Å; V111-T349 HydrophobicContact CG1-CG2 3.4Å; V111-T349 VanDerWaalsContact CG1-CG2 3.4Å; M345-T349 PolarHBondContact O-N 3.41Å; M345-T349 PolarHBondContact O-OG1 3.19Å; T349-W352 PolarHBondContact O-N 3.22Å; T349-E353 PolarHBondContact O-N 3.03Å
350	C	96.8	Very high	97.5	Very high	30 Å²	30	29.5 Å²	29.5	20%	0.203	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-41.7	178	-178	0	0	0	0	112.8	C47 G346 I348 W352 E353 K354	C47-C350 HydrophobicContact CB-CB 3.53Å; C47-C350 WeakPolarHBondContact CB-SG 3.5Å; C47-C350 WeakPolarHBondContact SG-CB 3.34Å; C47-C350 CovalentContact SG-SG 2.03Å; C47-C350 PolarHBondContact SG-SG 2.86Å; G346-C350 WeakPolarHBondContact O-CB 3.24Å; G346-C350 PolarHBondContact O-N 3.44Å; I348-C350 VanDerWaalsContact C-N 3.35Å; I348-C350 PolarHBondContact O-N 3Å; C350-W352 VanDerWaalsContact C-N 3.33Å; C350-W352 PolarHBondContact O-N 3.44Å; C350-E353 PolarHBondContact O-N 3.44Å; C350-K354 WeakPolarHBondContact O-CG 3.31Å; C350-K354 PolarHBondContact O-N 3.02Å
351	Y	97.8	Very high	97.5	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-42.4	176.1	-171.8	-82.9	0	0	0	111.4	H50 L54 P155 F293 E347 I348 K354 L355	H50-Y351 HydrophobicContact CB-CD2 3.79Å; H50-Y351 HydrophobicContact CB-CE2 3.78Å; L54-Y351 HydrophobicContact CB-CE2 4.03Å; L54-Y351 HydrophobicContact CD1-CE2 4.42Å; P155-Y351 VanDerWaalsContact CD-CD1 3.48Å; P155-Y351 HydrophobicContact CG-CD1 3.54Å; P155-Y351 HydrophobicContact CG-CE1 4.28Å; P155-Y351 HydrophobicContact CG-CG 4.11Å; F293-Y351 HydrophobicContact CB-CE1 4.28Å; F293-Y351 HydrophobicContact CD2-CD1 4.18Å; F293-Y351 AromaticContact CD2-CD2 3.69Å; F293-Y351 HydrophobicContact CD2-CD2 3.69Å; F293-Y351 HydrophobicContact CD2-CE1 4.12Å; F293-Y351 AromaticContact CD2-CE2 3.63Å; F293-Y351 HydrophobicContact CD2-CE2 3.63Å; F293-Y351 AromaticContact CD2-CG 3.95Å; F293-Y351 HydrophobicContact CD2-CG 3.95Å; F293-Y351 AromaticContact CD2-CZ 3.84Å; F293-Y351 AromaticContact CE2-CD2 3.93Å; F293-Y351 HydrophobicContact CE2-CD2 3.93Å; F293-Y351 HydrophobicContact CE2-CE2 4.33Å; F293-Y351 HydrophobicContact CE2-CG 4.03Å; F293-Y351 HydrophobicContact CG-CE1 4.33Å; F293-Y351 HydrophobicContact CG-CE2 4.47Å; E347-Y351 WeakPolarHBondContact O-CB 3.42Å; E347-Y351 PolarHBondContact O-N 2.88Å; I348-Y351 PolarHBondContact O-N 3.1Å; Y351-K354 PolarHBondContact O-N 3.27Å; Y351-L355 HydrophobicContact CD1-CB 4.4Å; Y351-L355 HydrophobicContact CE1-CB 4.37Å; Y351-L355 HydrophobicContact CE1-CD2 4.14Å; Y351-L355 WeakPolarHBondContact O-CB 3.49Å; Y351-L355 PolarHBondContact O-N 3.14Å
352	W	98.5	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-45.1	174.1	-88.8	114.7	0	0	0	112.8	V104 F107 I108 Y154 P155 I348 T349 C350 L355 L356	V104-W352 HydrophobicContact CG1-CH2 3.89Å; V104-W352 HydrophobicContact CG1-CZ2 4.11Å; V104-W352 HydrophobicContact CG2-CZ2 4.36Å; F107-W352 HydrophobicContact CB-CB 4.43Å; F107-W352 HydrophobicContact CB-CD2 4.45Å; F107-W352 HydrophobicContact CB-CG 3.88Å; F107-W352 AromaticContact CD2-NE1 3.67Å; F107-W352 AromaticContact CG-CD1 3.64Å; F107-W352 AromaticContact CG-NE1 3.75Å; I108-W352 HydrophobicContact CG1-CE3 4.49Å; Y154-W352 HydrophobicContact CD1-CH2 4.48Å; Y154-W352 AromaticContact CD2-CH2 3.36Å; Y154-W352 HydrophobicContact CD2-CH2 3.36Å; Y154-W352 AromaticContact CD2-CZ2 3.16Å; Y154-W352 HydrophobicContact CD2-CZ2 3.16Å; Y154-W352 HydrophobicContact CE2-CH2 4.09Å; Y154-W352 AromaticContact CE2-CZ2 3.89Å; Y154-W352 HydrophobicContact CE2-CZ2 3.89Å; Y154-W352 AromaticContact CG-CH2 3.57Å; Y154-W352 HydrophobicContact CG-CH2 3.57Å; Y154-W352 AromaticContact CG-CZ2 3.81Å; Y154-W352 HydrophobicContact CG-CZ2 3.81Å; Y154-W352 HydrophobicContact CG-CZ3 4.41Å; P155-W352 HydrophobicContact CG-CG 4.38Å; P155-W352 PolarHBondContact O-NE1 3.46Å; I348-W352 PolarHBondContact O-N 3.2Å; I348-W352 VanDerWaalsContact O-N 3.16Å; T349-W352 PolarHBondContact O-N 3.22Å; C350-W352 VanDerWaalsContact C-N 3.33Å; C350-W352 PolarHBondContact O-N 3.44Å; W352-L355 HydrophobicContact CE3-CD2 4.22Å; W352-L355 HydrophobicContact CZ3-CD2 4.3Å; W352-L355 PolarHBondContact O-N 3.34Å; W352-L356 HydrophobicContact CE3-CD1 4.19Å; W352-L356 HydrophobicContact CE3-CG 4.28Å; W352-L356 WeakPolarHBondContact O-CG 3.36Å; W352-L356 PolarHBondContact O-N 3.33Å
353	E	98.4	Very high	97.9	Very high	51 Å²	51	32.6 Å²	32.6	24%	0.238	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-48.7	177.5	-173.1	168.7	162.6	0	0	111.5	V111 R114 T349 C350 T357	V111-E353 HydrophobicContact CB-CB 4.12Å; V111-E353 HydrophobicContact CB-CG 4.24Å; V111-E353 HydrophobicContact CG1-CB 3.96Å; V111-E353 HydrophobicContact CG1-CG 4.48Å; V111-E353 HydrophobicContact CG2-CB 4.39Å; R114-E353 IonicContact CZ-OE2 2.94Å; R114-E353 VanDerWaalsContact NE-CD 3.32Å; R114-E353 IonicContact NE-OE1 3.36Å; R114-E353 PolarHBondContact NE-OE1 2.9Å; R114-E353 IonicContact NE-OE2 3.38Å; R114-E353 PolarHBondContact NE-OE2 3.04Å; R114-E353 IonicContact NH2-OE2 3.25Å; R114-E353 PolarHBondContact NH2-OE2 3.09Å; T349-E353 PolarHBondContact O-N 3.03Å; C350-E353 PolarHBondContact O-N 3.44Å; E353-T357 VanDerWaalsContact O-CB 3.23Å; E353-T357 WeakPolarHBondContact O-CB 3.49Å; E353-T357 PolarHBondContact O-N 3.45Å; E353-T357 PolarHBondContact O-OG1 2.94Å
354	K	98	Very high	97.9	Very high	81 Å²	81	37 Å²	37	35%	0.352	20%	0.203	S	C	.	.	H	α-helix	trans	-63.8	-46	178.1	-69.3	-65.4	-175.8	-173.6	0	112	L51 L54 C350 Y351 L356 T357 E358	L51-K354 HydrophobicContact CD2-CB 3.92Å; L51-K354 HydrophobicContact CD2-CG 4.09Å; L54-K354 HydrophobicContact CD1-CB 4.01Å; C350-K354 WeakPolarHBondContact O-CG 3.31Å; C350-K354 PolarHBondContact O-N 3.02Å; Y351-K354 PolarHBondContact O-N 3.27Å; K354-L356 PolarHBondContact O-N 3.39Å; K354-T357 PolarHBondContact O-N 2.89Å; K354-E358 WeakPolarHBondContact O-CB 3.21Å; K354-E358 WeakPolarHBondContact O-CG 3.49Å; K354-E358 PolarHBondContact O-N 3.35Å
355	L	98.5	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.7	-50.7	179.9	173.9	60.5	0	0	0	111.5	L54 L58 F141 I152 Y351 W352 F359	L54-L355 VanDerWaalsContact CD1-CA 3.48Å; L54-L355 HydrophobicContact CD1-CB 3.87Å; L54-L355 HydrophobicContact CD1-CD1 4.38Å; L54-L355 HydrophobicContact CG-CD1 4.16Å; L58-L355 HydrophobicContact CD2-CD1 4.39Å; F141-L355 HydrophobicContact CD1-CD2 3.83Å; F141-L355 HydrophobicContact CD1-CG 4.41Å; F141-L355 HydrophobicContact CE1-CD1 3.91Å; F141-L355 HydrophobicContact CE1-CD2 3.58Å; F141-L355 HydrophobicContact CE1-CG 3.67Å; F141-L355 HydrophobicContact CZ-CD1 4.47Å; I152-L355 HydrophobicContact CG2-CD1 3.64Å; Y351-L355 HydrophobicContact CD1-CB 4.4Å; Y351-L355 HydrophobicContact CE1-CB 4.37Å; Y351-L355 HydrophobicContact CE1-CD2 4.14Å; Y351-L355 WeakPolarHBondContact O-CB 3.49Å; Y351-L355 PolarHBondContact O-N 3.14Å; W352-L355 HydrophobicContact CE3-CD2 4.22Å; W352-L355 HydrophobicContact CZ3-CD2 4.3Å; W352-L355 PolarHBondContact O-N 3.34Å; L355-F359 WeakPolarHBondContact O-CB 3.26Å; L355-F359 PolarHBondContact O-N 3.31Å
356	L	98.8	Very high	98.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-72.3	-35.1	-177.6	-65.6	175.8	0	0	0	112.3	I108 L115 M120 F141 W352 K354 S360	I108-L356 HydrophobicContact CG1-CD1 4.03Å; I108-L356 HydrophobicContact CG2-CD1 4.2Å; L115-L356 HydrophobicContact CD1-CB 4.09Å; L115-L356 HydrophobicContact CD1-CD1 3.57Å; L115-L356 HydrophobicContact CD1-CG 4.49Å; L115-L356 HydrophobicContact CD2-CB 3.75Å; M120-L356 HydrophobicContact CE-CD1 4.42Å; M120-L356 HydrophobicContact CE-CD2 4.02Å; M120-L356 HydrophobicContact CG-CD2 4.29Å; M120-L356 HydrophobicContact SD-CD2 4.24Å; F141-L356 HydrophobicContact CE1-CD2 4.16Å; F141-L356 HydrophobicContact CZ-CD2 4.5Å; W352-L356 HydrophobicContact CE3-CD1 4.19Å; W352-L356 HydrophobicContact CE3-CG 4.28Å; W352-L356 WeakPolarHBondContact O-CG 3.36Å; W352-L356 PolarHBondContact O-N 3.33Å; K354-L356 PolarHBondContact O-N 3.39Å; L356-S360 WeakPolarHBondContact O-CB 3.48Å; L356-S360 PolarHBondContact O-N 3.12Å
357	T	98.6	Very high	98.2	Very high	41 Å²	41	38.1 Å²	38.1	25%	0.252	19%	0.191	S	C	.	.	H	α-helix	trans	-65.4	-47.6	176.6	-58.9	0	0	0	0	111.4	E353 K354 S360	E353-T357 VanDerWaalsContact O-CB 3.23Å; E353-T357 WeakPolarHBondContact O-CB 3.49Å; E353-T357 PolarHBondContact O-N 3.45Å; E353-T357 PolarHBondContact O-OG1 2.94Å; K354-T357 PolarHBondContact O-N 2.89Å; T357-S360 PolarHBondContact O-OG 3.49Å
358	E	98.5	Very high	98.3	Very high	50 Å²	50	45.1 Å²	45.1	23%	0.234	22%	0.221	C	C	.	.	H	α-helix	trans	-71.4	-41.4	179.2	-68.2	-172.3	-152.7	0	0	111.3	L54 H55 L58 K354 S360 Q361	L54-E358 HydrophobicContact CD2-CB 4.28Å; L54-E358 WeakPolarHBondContact CD2-OE2 3.06Å; H55-E358 IonicContact CD2-OE2 3.03Å; H55-E358 PolarHBondContact CD2-OE2 3.33Å; H55-E358 IonicContact NE2-OE1 2.66Å; H55-E358 PolarHBondContact NE2-OE1 3.38Å; H55-E358 IonicContact NE2-OE2 3.28Å; H55-E358 PolarHBondContact NE2-OE2 2.94Å; L58-E358 HydrophobicContact CD1-CB 3.78Å; K354-E358 WeakPolarHBondContact O-CB 3.21Å; K354-E358 WeakPolarHBondContact O-CG 3.49Å; K354-E358 PolarHBondContact O-N 3.35Å; E358-S360 VanDerWaalsContact C-N 3.29Å; E358-S360 PolarHBondContact O-N 3.45Å; E358-Q361 WeakPolarHBondContact O-CB 3.31Å; E358-Q361 PolarHBondContact O-N 3.19Å; E358-Q361 VanDerWaalsContact O-N 3.12Å
359	F	98.8	Very high	98.3	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-38.2	175.6	-179.8	-97.4	0	0	0	112.8	L58 I65 M70 V118 E119 M120 P139 F141 I152 L355 Q361 L362 L363	L58-F359 HydrophobicContact CD2-CB 4.37Å; L58-F359 HydrophobicContact CD2-CD2 3.9Å; I65-F359 HydrophobicContact CD1-CD2 4.27Å; I65-F359 HydrophobicContact CD1-CE2 3.4Å; I65-F359 VanDerWaalsContact CD1-CE2 3.4Å; I65-F359 HydrophobicContact CD1-CZ 3.65Å; M70-F359 HydrophobicContact CE-CE1 4.44Å; M70-F359 HydrophobicContact CE-CZ 4.18Å; V118-F359 HydrophobicContact CG2-CD1 3.78Å; V118-F359 HydrophobicContact CG2-CE1 4.22Å; E119-F359 WeakPolarHBondContact O-CE1 3.27Å; M120-F359 HydrophobicContact CB-CE1 4Å; P139-F359 HydrophobicContact CB-CE2 3.82Å; P139-F359 HydrophobicContact CB-CZ 3.84Å; F141-F359 HydrophobicContact CE2-CD1 4.16Å; F141-F359 AromaticContact CE2-CD2 3.82Å; F141-F359 HydrophobicContact CE2-CD2 3.82Å; F141-F359 HydrophobicContact CE2-CE1 4Å; F141-F359 AromaticContact CE2-CE2 3.64Å; F141-F359 HydrophobicContact CE2-CE2 3.64Å; F141-F359 HydrophobicContact CE2-CG 4.08Å; F141-F359 AromaticContact CE2-CZ 3.75Å; F141-F359 HydrophobicContact CE2-CZ 3.75Å; F141-F359 HydrophobicContact CZ-CB 4.12Å; F141-F359 AromaticContact CZ-CD1 3.84Å; F141-F359 HydrophobicContact CZ-CD1 3.84Å; F141-F359 AromaticContact CZ-CD2 3.68Å; F141-F359 HydrophobicContact CZ-CD2 3.68Å; F141-F359 HydrophobicContact CZ-CE1 4.16Å; F141-F359 HydrophobicContact CZ-CE2 4.01Å; F141-F359 AromaticContact CZ-CG 3.59Å; F141-F359 HydrophobicContact CZ-CG 3.59Å; F141-F359 HydrophobicContact CZ-CZ 4.25Å; I152-F359 HydrophobicContact CD1-CD2 3.9Å; I152-F359 HydrophobicContact CD1-CE2 3.75Å; L355-F359 WeakPolarHBondContact O-CB 3.26Å; L355-F359 PolarHBondContact O-N 3.31Å; F359-Q361 PolarHBondContact O-N 2.98Å; F359-L362 HydrophobicContact CD2-CD1 4.36Å; F359-L362 WeakPolarHBondContact O-CB 3.46Å; F359-L362 PolarHBondContact O-N 2.85Å; F359-L363 HydrophobicContact CE1-CD2 4.18Å; F359-L363 HydrophobicContact CZ-CD2 4.39Å
360	S	98.8	Very high	98.3	Very high	18 Å²	18	54.3 Å²	54.3	13%	0.126	25%	0.253	C	S	.	.	H	α-helix	trans	-59	-30.6	177.6	76.8	0	0	0	0	113.6	P116 L356 T357 E358 L362 L363	P116-S360 WeakPolarHBondContact CG-OG 3.37Å; L356-S360 WeakPolarHBondContact O-CB 3.48Å; L356-S360 PolarHBondContact O-N 3.12Å; T357-S360 PolarHBondContact O-OG 3.49Å; E358-S360 VanDerWaalsContact C-N 3.29Å; E358-S360 PolarHBondContact O-N 3.45Å; S360-L362 PolarHBondContact O-N 2.98Å; S360-L363 PolarHBondContact O-N 3.21Å
361	Q	98.6	Very high	98.3	Very high	144 Å²	144	58.4 Å²	58.4	67%	0.673	28%	0.282	S	S	*	.	H	α-helix	trans	-72.6	-16.8	-178.8	-62.6	169.6	25.8	0	0	111.7	E358 F359	E358-Q361 WeakPolarHBondContact O-CB 3.31Å; E358-Q361 PolarHBondContact O-N 3.19Å; E358-Q361 VanDerWaalsContact O-N 3.12Å; F359-Q361 PolarHBondContact O-N 2.98Å
362	L	98.7	Very high	98.2	Very high	29 Å²	29	64 Å²	64	15%	0.152	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-15.1	177.5	-53.8	173.5	0	0	0	111.9	L58 F61 G64 I65 F359 S360 T364	L58-L362 HydrophobicContact CB-CD1 4.04Å; L58-L362 HydrophobicContact CD1-CD1 4.23Å; L58-L362 HydrophobicContact CD2-CD1 4.04Å; L58-L362 HydrophobicContact CG-CD1 4.32Å; F61-L362 HydrophobicContact CB-CD1 4Å; G64-L362 CarbonylContact C-O 3.52Å; G64-L362 VanDerWaalsContact CA-O 3.22Å; G64-L362 WeakPolarHBondContact CA-O 3.38Å; I65-L362 HydrophobicContact CD1-CB 4.06Å; I65-L362 HydrophobicContact CG1-CB 4.43Å; I65-L362 PolarHBondContact N-O 2.95Å; F359-L362 HydrophobicContact CD2-CD1 4.36Å; F359-L362 WeakPolarHBondContact O-CB 3.46Å; F359-L362 PolarHBondContact O-N 2.85Å; S360-L362 PolarHBondContact O-N 2.98Å; L362-T364 PolarHBondContact O-N 2.68Å
363	L	98.8	Very high	98.2	Very high	19 Å²	19	64.4 Å²	64.4	10%	0.099	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-73.5	123.3	176.8	-57.7	-175.2	0	0	0	110.1	I65 M70 V118 F359 S360 Y365 P367	I65-L363 HydrophobicContact CB-CD2 3.97Å; I65-L363 HydrophobicContact CD1-CD2 4.3Å; I65-L363 HydrophobicContact CG2-CD2 3.97Å; M70-L363 HydrophobicContact CE-CD2 4.21Å; V118-L363 HydrophobicContact CG2-CD1 4.05Å; F359-L363 HydrophobicContact CE1-CD2 4.18Å; F359-L363 HydrophobicContact CZ-CD2 4.39Å; S360-L363 PolarHBondContact O-N 3.21Å; L363-Y365 HydrophobicContact CB-CD1 4.39Å; L363-Y365 HydrophobicContact CB-CE1 4.21Å; L363-Y365 HydrophobicContact CD2-CE1 4.14Å; L363-Y365 PolarHBondContact O-N 2.82Å; L363-P367 HydrophobicContact CD1-CG 3.62Å
364	T	98.6	Very high	98.1	Very high	94 Å²	94	68.4 Å²	68.4	58%	0.577	33%	0.33	S	S	*	.	S	Bend	trans	-87.9	14.8	-178.9	59	0	0	0	0	113.5	I65 S66 L362	I65-T364 PolarHBondContact O-N 2.68Å; I65-T364 PolarHBondContact O-OG1 2.94Å; S66-T364 WeakPolarHBondContact CA-OG1 3.24Å; L362-T364 PolarHBondContact O-N 2.68Å
365	Y	98.6	Very high	98.1	Very high	36 Å²	36	68.7 Å²	68.7	14%	0.141	33%	0.333	C	S	.	.	S	Bend	trans	-148	161.3	-177	67.6	-76.1	0	0	0	109.1	Q67 M70 E119 L363 P367	Q67-Y365 HydrophobicContact CB-CD1 3.92Å; Q67-Y365 HydrophobicContact CB-CD2 3.87Å; Q67-Y365 HydrophobicContact CB-CE1 4.13Å; Q67-Y365 HydrophobicContact CB-CE2 4.05Å; Q67-Y365 HydrophobicContact CB-CG 3.8Å; Q67-Y365 HydrophobicContact CG-CD2 3.97Å; Q67-Y365 HydrophobicContact CG-CE2 3.92Å; Q67-Y365 HydrophobicContact CG-CG 4.42Å; Q67-Y365 VanDerWaalsContact N-CD1 3.33Å; M70-Y365 VanDerWaalsContact CB-OH 3.25Å; M70-Y365 WeakPolarHBondContact CB-OH 3.45Å; M70-Y365 WeakPolarHBondContact CG-OH 3.26Å; E119-Y365 VanDerWaalsContact CD-OH 3.3Å; E119-Y365 VanDerWaalsContact CG-OH 3.31Å; E119-Y365 WeakPolarHBondContact CG-OH 3.09Å; E119-Y365 VanDerWaalsContact OE1-CE2 3.26Å; E119-Y365 WeakPolarHBondContact OE1-CE2 3.5Å; E119-Y365 PolarHBondContact OE1-OH 3.04Å; L363-Y365 HydrophobicContact CB-CD1 4.39Å; L363-Y365 HydrophobicContact CB-CE1 4.21Å; L363-Y365 HydrophobicContact CD2-CE1 4.14Å; L363-Y365 PolarHBondContact O-N 2.82Å; Y365-P367 HydrophobicContact CE2-CG 4.44Å; Y365-P367 WeakPolarHBondContact O-CD 3.46Å
366	K	98.1	Very high	98.1	Very high	153 Å²	153	69.9 Å²	69.9	67%	0.665	34%	0.339	S	S	*	.			trans	-87.4	117.1	173.6	-173.6	171.3	-177.9	172.6	0	109.9	D117	D117-K366 WeakPolarHBondContact OD2-CE 3.07Å; D117-K366 IonicContact OD2-NZ 3.72Å
367	P	98.1	Very high	97.8	Very high	8 Å²	8	74.2 Å²	74.2	5%	0.052	37%	0.365	C	S	.	.			trans	-55.7	144.4	175.6	-29.3	39.4	0	0	0	112	I85 E119 L363 Y365	I85-P367 HydrophobicContact CD1-CB 3.71Å; E119-P367 HydrophobicContact CB-CB 4.27Å; E119-P367 HydrophobicContact CG-CB 4.12Å; E119-P367 HydrophobicContact CG-CG 4.19Å; E119-P367 WeakPolarHBondContact OE1-CA 3.28Å; E119-P367 WeakPolarHBondContact OE1-CB 3.4Å; L363-P367 HydrophobicContact CD1-CG 3.62Å; Y365-P367 HydrophobicContact CE2-CG 4.44Å; Y365-P367 WeakPolarHBondContact O-CD 3.46Å
368	K	98	Very high	97	Very high	173 Å²	173	78.8 Å²	78.8	75%	0.752	38%	0.384	S	S	*	.			trans	-124.4	132.8	174.6	-68.2	-177.2	-176.6	176	0	109.2	Q83 R370	Q83-K368 PolarHBondContact NE2-O 2.93Å; K368-R370 PolarHBondContact O-N 3.37Å
369	R	97.9	Very high	95.7	Very high	122 Å²	122	83.9 Å²	83.9	46%	0.46	41%	0.405	S	S	.	.			trans	-54.7	127.4	175.9	-179.7	-174.3	165.6	-170	-2.7	110.3	I85 Y90 Y373	I85-R369 HydrophobicContact CG1-CB 4.16Å; I85-R369 HydrophobicContact CG2-CB 4.47Å; Y90-R369 HydrophobicContact CD1-CG 4.32Å; Y90-R369 HydrophobicContact CD2-CG 4.45Å; Y90-R369 HydrophobicContact CE1-CG 4.46Å; Y90-R369 VanDerWaalsContact CE1-CZ 3.45Å; Y90-R369 VanDerWaalsContact CE1-NE 3.35Å; Y90-R369 HydrophobicContact CG-CG 4.32Å; R369-Y373 PolarHBondContact NH2-O 3.11Å
370	R	97.7	Very high	93.8	Very high	91 Å²	91	89.5 Å²	89.5	34%	0.343	44%	0.442	S	S	.	.			trans	-74.6	129.6	168	-65.3	-171.7	-179.8	-152	3.2	110.1	K368 N372 Y373	K368-R370 PolarHBondContact O-N 3.37Å; R370-N372 PolarHBondContact O-N 3.27Å; R370-Y373 HydrophobicContact CB-CD1 3.76Å; R370-Y373 HydrophobicContact CB-CD2 4.23Å; R370-Y373 HydrophobicContact CB-CE1 4.03Å; R370-Y373 HydrophobicContact CB-CE2 4.47Å; R370-Y373 HydrophobicContact CB-CG 3.87Å; R370-Y373 WeakPolarHBondContact O-CB 3.37Å; R370-Y373 PolarHBondContact O-N 3.47Å
371	S	96.3	Very high	91.7	Very high	116 Å²	116	94.6 Å²	94.6	81%	0.811	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-31	-173	54.5	0	0	0	0	113.6	Y373	S371-Y373 VanDerWaalsContact C-N 3.3Å; S371-Y373 PolarHBondContact O-N 3.23Å
372	N	96.4	Very high	89.2	Confident	118 Å²	118	96 Å²	96	63%	0.631	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.9	178.3	66.4	-37.5	0	0	0	114	R370	R370-N372 PolarHBondContact O-N 3.27Å
373	Y	98.1	Very high	86.2	Confident	8 Å²	8	100.6 Å²	100.6	3%	0.031	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-86	134.1	-179.6	-76.4	20.7	0	0	0	110.6	H81 Q83 R91 E92 R369 R370 S371	H81-Y373 HydrophobicContact CB-CE2 4.27Å; H81-Y373 WeakPolarHBondContact CB-OH 3.44Å; H81-Y373 AromaticContact CE1-CE2 3.97Å; H81-Y373 AromaticContact CG-CE2 3.96Å; H81-Y373 AromaticContact ND1-CE2 3.27Å; H81-Y373 VanDerWaalsContact ND1-CE2 3.27Å; H81-Y373 WeakPolarHBondContact ND1-CE2 3.34Å; H81-Y373 AromaticContact ND1-CZ 3.4Å; H81-Y373 PolarHBondContact ND1-OH 3.22Å; Q83-Y373 HydrophobicContact CG-CD2 4.16Å; Q83-Y373 HydrophobicContact CG-CE2 4.18Å; R91-Y373 VanDerWaalsContact C-CD2 3.47Å; R91-Y373 WeakPolarHBondContact O-CA 3.45Å; R91-Y373 WeakPolarHBondContact O-CB 3.28Å; E92-Y373 HydrophobicContact CB-CD1 4.23Å; E92-Y373 HydrophobicContact CB-CE1 3.56Å; E92-Y373 HydrophobicContact CB-CE2 4.09Å; E92-Y373 VanDerWaalsContact CB-CZ 3.47Å; R369-Y373 PolarHBondContact NH2-O 3.11Å; R370-Y373 HydrophobicContact CB-CD1 3.76Å; R370-Y373 HydrophobicContact CB-CD2 4.23Å; R370-Y373 HydrophobicContact CB-CE1 4.03Å; R370-Y373 HydrophobicContact CB-CE2 4.47Å; R370-Y373 HydrophobicContact CB-CG 3.87Å; R370-Y373 WeakPolarHBondContact O-CB 3.37Å; R370-Y373 PolarHBondContact O-N 3.47Å; S371-Y373 VanDerWaalsContact C-N 3.3Å; S371-Y373 PolarHBondContact O-N 3.23Å
374	K	96.2	Very high	83.2	Confident	135 Å²	135	107.3 Å²	107.3	59%	0.587	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	139.8	177.5	-65.5	-172.9	-179.7	-176.4	0	108.9	Y90 R91 I376	Y90-K374 VanDerWaalsContact CA-O 3.31Å; Y90-K374 WeakPolarHBondContact CA-O 3.29Å; R91-K374 PolarHBondContact N-O 3.02Å; R91-K374 VanDerWaalsContact N-O 3.07Å; R91-K374 PolarHBondContact O-N 2.89Å; K374-I376 PolarHBondContact O-N 2.85Å
375	Q	98.1	Very high	80	Confident	87 Å²	87	114.1 Å²	114.1	41%	0.407	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.3	132.4	168.8	-171	-179.4	-22.2	0	0	108.4	L89 Y90 V377	L89-Q375 CarbonylContact O-C 3.59Å; L89-Q375 WeakPolarHBondContact O-CA 3.36Å; L89-Q375 WeakPolarHBondContact O-CG 2.9Å; Y90-Q375 HydrophobicContact CD1-CB 3.87Å; Y90-Q375 HydrophobicContact CD1-CG 4.38Å; Y90-Q375 HydrophobicContact CE1-CB 3.72Å; Y90-Q375 HydrophobicContact CE1-CG 4.06Å; Q375-V377 HydrophobicContact CG-CG1 4.22Å
376	I	97.9	Very high	79.1	Confident	25 Å²	25	118.1 Å²	118.1	13%	0.128	58%	0.583	C	S	.	*	P	Polyproline II helix	trans	-89.8	130.8	169.4	-53.8	-55.3	0	0	0	107.1	L89 R91 E105 L109 K374	L89-I376 HydrophobicContact CB-CB 4.39Å; L89-I376 HydrophobicContact CD2-CB 4.08Å; L89-I376 HydrophobicContact CD2-CG1 4.49Å; L89-I376 HydrophobicContact CD2-CG2 4.29Å; L89-I376 HydrophobicContact CG-CB 4.12Å; L89-I376 HydrophobicContact CG-CG1 4.34Å; L89-I376 PolarHBondContact O-N 2.83Å; R91-I376 HydrophobicContact CB-CD1 3.92Å; R91-I376 HydrophobicContact CB-CG1 3.82Å; E105-I376 HydrophobicContact CB-CG2 4.14Å; E105-I376 HydrophobicContact CG-CG2 3.93Å; L109-I376 HydrophobicContact CD1-CG2 4.21Å; K374-I376 PolarHBondContact O-N 2.85Å
377	V	94.3	Very high	78.1	Confident	91 Å²	91	116.2 Å²	116.2	55%	0.552	58%	0.579	S	S	*	*			trans	-125.4	152.2	177.5	-64.4	0	0	0	0	108.4	Q375 K379	Q375-V377 HydrophobicContact CG-CG1 4.22Å; V377-K379 PolarHBondContact O-N 2.61Å; V377-K379 VanDerWaalsContact O-N 3.11Å
378	Q	81.7	Confident	77	Confident	137 Å²	137	122.2 Å²	122.2	64%	0.64	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-60.2	119.2	176	-152.6	168.4	21.7	0	0	108.4	L109	L109-Q378 HydrophobicContact CD1-CB 4.36Å
379	K	70.9	Confident	75.7	Confident	157 Å²	157	119.2 Å²	119.2	68%	0.683	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-72.8	139.8	172.6	-70.3	178.1	-176.5	167.3	0	107.6	V377 I381	V377-K379 PolarHBondContact O-N 2.61Å; V377-K379 VanDerWaalsContact O-N 3.11Å; K379-I381 PolarHBondContact O-N 3.42Å
380	P	57.3	Low	74.4	Confident	119 Å²	119	119.1 Å²	119.1	77%	0.773	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-52	129.3	168.4	-20.1	29.7	0	0	0	108.4	K382	P380-K382 PolarHBondContact O-N 3.46Å
381	I	55.8	Low	72.8	Confident	124 Å²	124	120.9 Å²	120.9	64%	0.636	63%	0.626	S	S	*	*			trans	-58.3	109.5	172.1	-60.7	171.7	0	0	0	105.4	K379 T383	K379-I381 PolarHBondContact O-N 3.42Å; I381-T383 VanDerWaalsContact C-N 3.29Å; I381-T383 PolarHBondContact O-N 3.42Å
382	K	45.2	Very low	71.1	Confident	174 Å²	174	121.3 Å²	121.3	76%	0.757	61%	0.613	S	S	*	*			trans	-67.2	100.4	164.3	-77.2	-171.1	175	-171	0	105.5	P380 E384	P380-K382 PolarHBondContact O-N 3.46Å; K382-E384 HydrophobicContact CB-CG 4.47Å; K382-E384 PolarHBondContact O-N 3.24Å
383	T	36.1	Very low	69.2	Low	125 Å²	125	121.5 Å²	121.5	77%	0.767	61%	0.612	S	S	*	*			trans	-65	83	165	20	0	0	0	0	107.5	I381 L385	I381-T383 VanDerWaalsContact C-N 3.29Å; I381-T383 PolarHBondContact O-N 3.42Å; T383-L385 PolarHBondContact O-N 3.41Å
384	E	35.6	Very low	66.8	Low	160 Å²	160	131 Å²	131	75%	0.748	66%	0.66	S	S	*	*			trans	-83.8	96.3	161.3	-69.1	-175	-173.2	0	0	106	K382	K382-E384 HydrophobicContact CB-CG 4.47Å; K382-E384 PolarHBondContact O-N 3.24Å
385	L	32.3	Very low	64.1	Low	238 Å²	238	130.6 Å²	130.6	100%	1.246	67%	0.667	S	S	*	*			trans	-67	0	164.1	-87.7	163.5	0	0	0	110.4	T383	T383-L385 PolarHBondContact O-N 3.41Å

Retrieved 385 of 385 residues in 1082.2 ms (Link to these results)

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