A0A087YBT2_POEFO Loading...

Hyaluronidase

Catalyzes hyaluronan degradation into small fragments that are endocytosed and degraded in lysosomes by HYAL1 and exoglycosidases. Essential for the breakdown of extracellular matrix hyaluronan.

AlphaFold DB , UniProt , Accession A0A087YBT2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 477 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	R	32.4	Very low	30	Very low	299 Å²	299	171.5 Å²	171.5	100%	1.128	83%	0.826	S	S	*	*				0	103	0	-95.2	-178	-176	164.9	1.5	106.7
2	D	33.8	Very low	30	Very low	147 Å²	147	171 Å²	171	79%	0.786	83%	0.829	S	S	*	*			trans	29.5	132.5	151.5	-73.5	-34.7	0	0	0	124.1
3	T	35.3	Very low	29.7	Very low	119 Å²	119	166.5 Å²	166.5	73%	0.73	82%	0.824	S	S	*	*			trans	92.8	125.6	131.9	50.1	0	0	0	0	122.3
4	S	30.1	Very low	29.8	Very low	101 Å²	101	165.1 Å²	165.1	71%	0.706	82%	0.821	S	S	*	*			trans	62	141.8	143.7	60.1	0	0	0	0	118.4
5	E	29.7	Very low	30.2	Very low	182 Å²	182	170.5 Å²	170.5	85%	0.85	83%	0.828	S	S	*	*			cis	-170.3	160.5	11.1	-118.2	170	176.4	0	0	107.6
6	D	30.8	Very low	30.2	Very low	147 Å²	147	174.3 Å²	174.3	79%	0.786	83%	0.831	S	S	*	*			trans	-11.3	131.9	171.3	-70.8	-38.4	0	0	0	121.8
7	M	26.9	Very low	30.5	Very low	168 Å²	168	173.6 Å²	173.6	83%	0.828	83%	0.833	S	S	*	*				174.2	139.7	104.4	-110.7	-167.8	-55.9	0	0	113.2
8	L	26.6	Very low	31.2	Very low	155 Å²	155	168 Å²	168	81%	0.812	81%	0.812	S	S	*	*			trans	69.6	85.6	164.7	-87.1	89	0	0	0	117.6
9	Y	26.4	Very low	31.7	Very low	237 Å²	237	167.4 Å²	167.4	93%	0.929	81%	0.813	S	S	*	*			trans	-82.2	126.5	160.4	-133.8	-95.1	0	0	0	111.6
10	R	26.7	Very low	31.7	Very low	215 Å²	215	164.7 Å²	164.7	81%	0.811	80%	0.801	S	S	*	*			trans	-68	144.2	171.1	-84.9	174.7	170.7	179.8	-2.9	112.2
11	T	31.8	Very low	31.9	Very low	117 Å²	117	164.4 Å²	164.4	72%	0.718	80%	0.802	S	S	*	*			trans	21	125.8	139.2	55.1	0	0	0	0	119.8
12	L	29.4	Very low	32	Very low	165 Å²	165	156.2 Å²	156.2	86%	0.864	79%	0.785	S	S	*	*				167	159.9	120.3	-91.3	149.8	0	0	0	110.9
13	C	26	Very low	32.1	Very low	112 Å²	112	155 Å²	155	76%	0.757	78%	0.778	S	S	*	*			trans	82.4	127.3	-171.2	-54	0	0	0	0	113.9
14	D	31.4	Very low	32.2	Very low	147 Å²	147	156.7 Å²	156.7	79%	0.786	78%	0.782	S	S	*	*			cis	-155.5	130.4	5	-105.4	-36.1	0	0	0	109.5
15	W	35.3	Very low	32.3	Very low	246 Å²	246	155 Å²	155	93%	0.932	78%	0.78	S	S	*	*			trans	-94.3	109.5	161.5	-88.9	40.5	0	0	0	107.6
16	R	30.8	Very low	32.6	Very low	231 Å²	231	153.1 Å²	153.1	87%	0.872	78%	0.776	S	S	*	*			trans	156.1	128.7	133.8	-86.1	171.5	-176.7	-153	1.2	110.5
17	L	35.1	Very low	32.8	Very low	164 Å²	164	148.7 Å²	148.7	86%	0.859	77%	0.765	S	S	*	*			trans	78.6	136.8	163.5	-110.8	76.7	0	0	0	117.4
18	P	42.2	Very low	33.4	Very low	72 Å²	72	147.1 Å²	147.1	47%	0.468	77%	0.765	S	S	.	*				-141	160.1	-52.7	35.9	-21.6	0	0	0	111.6	L20	P18-L20 HydrophobicContact CG-CD1 4.25Å; P18-L20 WeakPolarHBondContact O-CB 3.43Å; P18-L20 PolarHBondContact O-N 3.2Å
19	L	42	Very low	33.5	Very low	156 Å²	156	145.5 Å²	145.5	82%	0.817	77%	0.765	S	S	*	*				36.1	39.9	108	-113	147.6	0	0	0	118.2
20	L	31.8	Very low	34.3	Very low	113 Å²	113	138.1 Å²	138.1	59%	0.592	75%	0.753	S	S	*	*			trans	-121	-3.3	179.4	-108.8	151.4	0	0	0	113.9	P18	P18-L20 HydrophobicContact CG-CD1 4.25Å; P18-L20 WeakPolarHBondContact O-CB 3.43Å; P18-L20 PolarHBondContact O-N 3.2Å
21	I	35	Very low	35.6	Very low	159 Å²	159	135.8 Å²	135.8	82%	0.815	76%	0.755	S	S	*	*	S	Bend	trans	-103.3	-7.6	-178.9	-62.4	176.1	0	0	0	112.4
22	V	34.4	Very low	37.6	Very low	127 Å²	127	138.8 Å²	138.8	77%	0.77	76%	0.761	S	S	*	*	S	Bend	trans	-90.8	-5.6	171.3	-177	0	0	0	0	112.4
23	L	36.5	Very low	40.5	Very low	122 Å²	122	133.1 Å²	133.1	64%	0.639	73%	0.733	S	S	*	*	S	Bend	trans	-100.6	13.3	176.9	-71.8	172.3	0	0	0	114.3
24	L	36.3	Very low	43.6	Very low	155 Å²	155	130.7 Å²	130.7	81%	0.812	71%	0.71	S	S	*	*	S	Bend	trans	-120.3	20.3	173.5	-70.8	168.1	0	0	0	112.5
25	G	33.9	Very low	46.6	Very low	64 Å²	64	125.5 Å²	125.5	66%	0.66	69%	0.685	S	S	*	*			trans	-106.8	0.4	171.9	0	0	0	0	0	114.2	G27	G25-G27 PolarHBondContact O-N 3.23Å
26	D	36.2	Very low	49.5	Very low	143 Å²	143	114 Å²	114	77%	0.765	64%	0.641	S	S	*	*			trans	-77.4	51.1	162.2	-69.7	-27.7	0	0	0	109	V28	D26-V28 PolarHBondContact O-N 3.17Å; D26-V28 VanDerWaalsContact O-N 3.07Å
27	G	34.3	Very low	52.5	Low	55 Å²	55	108.3 Å²	108.3	57%	0.567	62%	0.62	S	S	*	*			trans	-57.5	115	157.2	0	0	0	0	0	105.4	G25 C29	G25-G27 PolarHBondContact O-N 3.23Å; G27-C29 PolarHBondContact O-N 3.01Å
28	V	38.3	Very low	55.4	Low	135 Å²	135	106.4 Å²	106.4	82%	0.818	60%	0.601	S	S	*	*			trans	-39.2	89.8	170.6	-179.9	0	0	0	0	108.6	D26 A30	D26-V28 PolarHBondContact O-N 3.17Å; D26-V28 VanDerWaalsContact O-N 3.07Å; V28-A30 PolarHBondContact O-N 3.23Å
29	C	30.3	Very low	58	Low	121 Å²	121	104.4 Å²	104.4	82%	0.818	59%	0.588	S	S	*	*			trans	-67.6	89.9	156.1	-77.8	0	0	0	0	102.4	G27 L31	G27-C29 PolarHBondContact O-N 3.01Å; C29-L31 VanDerWaalsContact C-N 3.35Å; C29-L31 PolarHBondContact O-N 3.37Å
30	A	41.6	Very low	60.6	Low	81 Å²	81	99.2 Å²	99.2	67%	0.669	56%	0.561	S	S	*	*			trans	-49.6	111.5	166.1	0	0	0	0	0	104.7	V28 E32	V28-A30 PolarHBondContact O-N 3.23Å; A30-E32 PolarHBondContact O-N 3.42Å
31	L	54.7	Low	63.6	Low	166 Å²	166	96.9 Å²	96.9	87%	0.869	55%	0.546	S	S	*	.			trans	-55.8	108.2	-177.9	-163.4	84.1	0	0	0	105.9	C29 V33	C29-L31 VanDerWaalsContact C-N 3.35Å; C29-L31 PolarHBondContact O-N 3.37Å; L31-V33 PolarHBondContact O-N 3.4Å
32	E	73.4	Confident	66.5	Low	180 Å²	180	94.2 Å²	94.2	84%	0.841	54%	0.542	S	S	*	.			trans	-60.1	125.1	-171.6	-168.4	174	-176.3	0	0	108.4	A30 K34	A30-E32 PolarHBondContact O-N 3.42Å; E32-K34 PolarHBondContact O-N 3.4Å
33	V	89.9	Confident	69.4	Low	46 Å²	46	93.9 Å²	93.9	28%	0.279	53%	0.532	S	S	.	.			trans	-69.5	107.4	-175.7	-178.8	0	0	0	0	108	L31 L386 Q433	L31-V33 PolarHBondContact O-N 3.4Å; V33-L386 HydrophobicContact CG1-CD1 4.15Å; V33-L386 HydrophobicContact CG1-CD2 4.32Å; V33-Q433 HydrophobicContact CG1-CB 3.66Å; V33-Q433 HydrophobicContact CG1-CG 3.75Å
34	K	92.7	Very high	72.3	Confident	62 Å²	62	91.1 Å²	91.1	27%	0.27	52%	0.515	S	S	.	.			trans	-55.9	138.9	179	-73.5	-172.3	174.1	-174	0	111.3	E32 S290 G292 D293 A296 Q433	E32-K34 PolarHBondContact O-N 3.4Å; K34-S290 PolarHBondContact NZ-O 2.98Å; K34-G292 PolarHBondContact NZ-O 3.38Å; K34-D293 PolarHBondContact NZ-O 3.28Å; K34-A296 HydrophobicContact CB-CB 4.14Å; K34-Q433 WeakPolarHBondContact O-CG 3.5Å; K34-Q433 PolarHBondContact O-NE2 3.25Å
35	P	94.8	Very high	75.2	Confident	38 Å²	38	84 Å²	84	25%	0.247	48%	0.478	C	S	.	.			trans	-54.8	156.1	169.5	-23.6	33.3	0	0	0	111.7	V295 A296 C434	P35-V295 CarbonylContact O-C 3.47Å; P35-V295 WeakPolarHBondContact O-CA 3.39Å; P35-A296 PolarHBondContact O-N 3.48Å; P35-C434 CarbonylContact C-O 3.6Å; P35-C434 WeakPolarHBondContact CA-O 3.48Å
36	T	95.6	Very high	78.2	Confident	3 Å²	3	81.1 Å²	81.1	2%	0.018	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-126.5	174.4	177.3	-165.8	0	0	0	0	111.9	A296 Q433 C434 Y435 S436	T36-A296 WeakPolarHBondContact CA-O 3.46Å; T36-A296 PolarHBondContact OG1-O 2.82Å; T36-Q433 HydrophobicContact CG2-CG 3.95Å; T36-C434 PolarHBondContact N-O 2.83Å; T36-Y435 HydrophobicContact CG2-CD1 3.81Å; T36-Y435 HydrophobicContact CG2-CE1 3.96Å; T36-Y435 CarbonylContact O-C 3.53Å; T36-Y435 VanDerWaalsContact O-CA 3.28Å; T36-Y435 WeakPolarHBondContact O-CA 3.4Å; T36-S436 PolarHBondContact O-N 3.27Å; T36-S436 PolarHBondContact O-OG 2.67Å
37	R	93.9	Very high	81.2	Confident	112 Å²	112	74.6 Å²	74.6	42%	0.423	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-70.9	152.8	178.9	-61.3	-173.1	76.3	171.4	3.4	110.9	L212 V295 Y435	R37-L212 VanDerWaalsContact NH1-CD2 3.28Å; R37-V295 HydrophobicContact CG-CG1 4.14Å; R37-Y435 WeakPolarHBondContact O-CD1 3.44Å; R37-Y435 WeakPolarHBondContact O-CE1 3.41Å
38	W	96.2	Very high	84.3	Confident	125 Å²	125	72 Å²	72	47%	0.473	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-55.4	148	171.3	-73.1	88.9	0	0	0	111.9	H382 Y435 S436 F438	W38-H382 AromaticContact CH2-CD2 3.88Å; W38-Y435 HydrophobicContact CD2-CD2 4.34Å; W38-Y435 HydrophobicContact CD2-CG 4.21Å; W38-Y435 AromaticContact CE3-CD2 3.8Å; W38-Y435 HydrophobicContact CE3-CD2 3.8Å; W38-Y435 HydrophobicContact CE3-CG 4.14Å; W38-Y435 HydrophobicContact CH2-CD2 4.42Å; W38-Y435 AromaticContact CZ3-CD2 3.85Å; W38-Y435 HydrophobicContact CZ3-CD2 3.85Å; W38-Y435 HydrophobicContact CZ3-CG 4.45Å; W38-S436 PolarHBondContact NE1-O 2.78Å; W38-F438 AromaticContact CH2-CD2 3.88Å; W38-F438 HydrophobicContact CH2-CD2 3.88Å; W38-F438 AromaticContact CH2-CE2 3.55Å; W38-F438 HydrophobicContact CH2-CE2 3.55Å; W38-F438 AromaticContact CZ2-CD2 3.57Å; W38-F438 HydrophobicContact CZ2-CD2 3.57Å; W38-F438 AromaticContact CZ2-CE2 3.41Å; W38-F438 HydrophobicContact CZ2-CE2 3.41Å; W38-F438 VanDerWaalsContact CZ2-CE2 3.41Å
39	P	96.6	Very high	87.2	Confident	29 Å²	29	65.6 Å²	65.6	19%	0.188	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-64.2	151.1	175.3	28.7	-33.5	0	0	0	110.8	F41 K44 Y435	P39-F41 WeakPolarHBondContact CG-O 3.4Å; P39-F41 PolarHBondContact O-N 2.78Å; P39-K44 WeakPolarHBondContact CB-O 3.44Å; P39-Y435 HydrophobicContact CG-CE2 4.24Å
40	L	95.3	Very high	90.4	Very high	47 Å²	47	59.9 Å²	59.9	25%	0.246	31%	0.308	C	S	.	.	S	Bend	trans	-64.5	-24.3	178.4	-67.2	-175.5	0	0	0	113	L47 V137 L139 L212	L40-L47 HydrophobicContact CB-CD1 4.04Å; L40-L47 HydrophobicContact CD1-CD1 3.76Å; L40-L47 HydrophobicContact CG-CD1 4.28Å; L40-V137 HydrophobicContact CD2-CG1 3.75Å; L40-L139 HydrophobicContact CD1-CD2 3.73Å; L40-L139 HydrophobicContact CD1-CG 4.12Å; L40-L212 HydrophobicContact CD1-CD1 4.27Å; L40-L212 HydrophobicContact CD2-CD1 3.87Å; L40-L212 HydrophobicContact CD2-CG 4.39Å; L40-L212 HydrophobicContact CG-CD1 4.23Å
41	F	96.3	Very high	93.1	Very high	64 Å²	64	56 Å²	56	28%	0.281	28%	0.276	S	S	.	.	S	Bend	trans	-122.7	135.1	177.5	-62.1	-91.3	0	0	0	109.5	P39 Q43 K44 L47 Q71 I72	P39-F41 WeakPolarHBondContact CG-O 3.4Å; P39-F41 PolarHBondContact O-N 2.78Å; F41-Q43 PolarHBondContact O-N 3.44Å; F41-K44 HydrophobicContact CB-CB 3.93Å; F41-K44 HydrophobicContact CB-CG 3.95Å; F41-K44 PolarHBondContact O-N 2.71Å; F41-K44 VanDerWaalsContact O-N 3.17Å; F41-L47 HydrophobicContact CD2-CD1 3.94Å; F41-L47 HydrophobicContact CE2-CD1 3.76Å; F41-Q71 HydrophobicContact CD1-CB 4.46Å; F41-Q71 HydrophobicContact CD2-CB 3.75Å; F41-Q71 HydrophobicContact CD2-CG 4.15Å; F41-Q71 HydrophobicContact CE1-CB 4.29Å; F41-Q71 HydrophobicContact CE2-CB 3.56Å; F41-Q71 HydrophobicContact CE2-CG 4.44Å; F41-Q71 HydrophobicContact CG-CB 4.21Å; F41-Q71 HydrophobicContact CG-CG 4.28Å; F41-Q71 HydrophobicContact CZ-CB 3.84Å; F41-I72 HydrophobicContact CE2-CD1 4.3Å; F41-I72 HydrophobicContact CE2-CG1 3.98Å; F41-I72 HydrophobicContact CZ-CG1 4.07Å
42	S	95.1	Very high	95.1	Very high	104 Å²	104	48.1 Å²	48.1	73%	0.727	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	135.8	-179.4	-170.8	0	0	0	0	111.2	K44	S42-K44 PolarHBondContact O-N 2.69Å
43	Q	95	Very high	96	Very high	119 Å²	119	39.6 Å²	39.6	56%	0.556	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	16.5	179.9	-58.8	173.1	9	0	0	114.8	F41 P45 F381	F41-Q43 PolarHBondContact O-N 3.44Å; Q43-P45 VanDerWaalsContact O-CD 3.25Å; Q43-P45 WeakPolarHBondContact O-CD 3.43Å; Q43-F381 HydrophobicContact CB-CD1 4.18Å; Q43-F381 HydrophobicContact CB-CE1 4.04Å; Q43-F381 HydrophobicContact CB-CZ 4.43Å; Q43-F381 HydrophobicContact CG-CD1 4.24Å; Q43-F381 HydrophobicContact CG-CD2 4.44Å; Q43-F381 HydrophobicContact CG-CE1 4.35Å; Q43-F381 HydrophobicContact CG-CG 4.27Å; Q43-F381 HydrophobicContact CG-CZ 4.48Å
44	K	96.9	Very high	96.2	Very high	64 Å²	64	37.9 Å²	37.9	28%	0.278	18%	0.184	S	C	.	.			trans	-110.4	85.7	174.6	-63.3	-57.2	-174.7	-175.5	0	110	P39 F41 S42 L46 E372	P39-K44 WeakPolarHBondContact CB-O 3.44Å; F41-K44 HydrophobicContact CB-CB 3.93Å; F41-K44 HydrophobicContact CB-CG 3.95Å; F41-K44 PolarHBondContact O-N 2.71Å; F41-K44 VanDerWaalsContact O-N 3.17Å; S42-K44 PolarHBondContact O-N 2.69Å; K44-L46 PolarHBondContact O-N 2.85Å; K44-E372 HydrophobicContact CD-CG 4.39Å; K44-E372 WeakPolarHBondContact CD-OE1 3.24Å; K44-E372 WeakPolarHBondContact CE-OE1 3.37Å; K44-E372 IonicContact NZ-OE1 3.41Å; K44-E372 PolarHBondContact NZ-OE1 2.89Å; K44-E372 IonicContact NZ-OE2 3.73Å; K44-E372 PolarHBondContact NZ-OE2 2.82Å
45	P	97.6	Very high	96.2	Very high	6 Å²	6	37.2 Å²	37.2	4%	0.039	18%	0.182	C	C	.	.	S	Bend	trans	-64.7	-24	178.6	29.4	-36	0	0	0	112.2	Q43 A371 E372 R384 Y435	Q43-P45 VanDerWaalsContact O-CD 3.25Å; Q43-P45 WeakPolarHBondContact O-CD 3.43Å; P45-A371 HydrophobicContact CG-CB 4.33Å; P45-A371 WeakPolarHBondContact CG-O 3.48Å; P45-E372 HydrophobicContact CG-CG 4.26Å; P45-R384 HydrophobicContact CB-CB 4.22Å; P45-R384 VanDerWaalsContact O-CZ 3.28Å; P45-R384 PolarHBondContact O-NH1 3.42Å; P45-R384 PolarHBondContact O-NH2 3.05Å; P45-Y435 WeakPolarHBondContact CA-OH 3.45Å; P45-Y435 WeakPolarHBondContact CB-OH 3.5Å
46	L	98.4	Very high	96	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	18%	0.18	C	C	.	.	S	Bend	trans	-113.9	124.5	173.7	-178.2	64.9	0	0	0	110.6	K44 L48 V327 I334 V367 A371	K44-L46 PolarHBondContact O-N 2.85Å; L46-L48 HydrophobicContact CD2-CD2 3.99Å; L46-L48 HydrophobicContact CG-CD2 4.19Å; L46-V327 HydrophobicContact CD1-CG1 4.45Å; L46-V327 HydrophobicContact CD1-CG2 3.66Å; L46-V327 HydrophobicContact CD2-CB 4.47Å; L46-V327 HydrophobicContact CD2-CG1 4.07Å; L46-V327 HydrophobicContact CD2-CG2 3.49Å; L46-V327 VanDerWaalsContact CD2-CG2 3.49Å; L46-V327 HydrophobicContact CG-CG2 4.22Å; L46-I334 HydrophobicContact CD1-CG1 4.27Å; L46-V367 HydrophobicContact CD2-CG1 4.49Å; L46-A371 HydrophobicContact CB-CB 4.26Å
47	L	98.6	Very high	96	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.037	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128	170.3	-179.9	150.2	0	0	0	110.7	L40 F41 A49 I72 L139 F300 A332 G333 I334	L40-L47 HydrophobicContact CB-CD1 4.04Å; L40-L47 HydrophobicContact CD1-CD1 3.76Å; L40-L47 HydrophobicContact CG-CD1 4.28Å; F41-L47 HydrophobicContact CD2-CD1 3.94Å; F41-L47 HydrophobicContact CE2-CD1 3.76Å; L47-A49 HydrophobicContact CD2-CB 3.89Å; L47-I72 HydrophobicContact CD1-CD1 3.9Å; L47-I72 HydrophobicContact CD1-CG1 4.47Å; L47-I72 HydrophobicContact CD2-CD1 4.26Å; L47-L139 HydrophobicContact CD2-CD1 4.16Å; L47-F300 HydrophobicContact CB-CE1 4.22Å; L47-F300 HydrophobicContact CD1-CE1 4.25Å; L47-F300 HydrophobicContact CD2-CD1 4.29Å; L47-F300 HydrophobicContact CD2-CE1 4.28Å; L47-A332 PolarHBondContact N-O 3.42Å; L47-G333 CarbonylContact O-C 3.53Å; L47-G333 WeakPolarHBondContact O-CA 3.18Å; L47-I334 PolarHBondContact O-N 3.47Å
48	L	98.8	Very high	96.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.2	170.6	-60.5	179.4	0	0	0	109.1	L46 F70 Q71 I72 I334 L364	L46-L48 HydrophobicContact CD2-CD2 3.99Å; L46-L48 HydrophobicContact CG-CD2 4.19Å; L48-F70 HydrophobicContact CB-CD1 3.83Å; L48-F70 HydrophobicContact CB-CE1 4.38Å; L48-F70 CarbonylContact O-C 3.6Å; L48-F70 WeakPolarHBondContact O-CA 3.45Å; L48-Q71 PolarHBondContact O-N 3.42Å; L48-Q71 PolarHBondContact O-OE1 3.46Å; L48-I72 PolarHBondContact O-N 2.84Å; L48-I334 HydrophobicContact CD2-CB 4.02Å; L48-I334 HydrophobicContact CD2-CG1 4.25Å; L48-L364 HydrophobicContact CD1-CB 4.1Å; L48-L364 HydrophobicContact CD1-CD2 4.02Å; L48-L364 HydrophobicContact CD1-CG 4.45Å; L48-L364 HydrophobicContact CD2-CD2 4.01Å
49	A	98.7	Very high	96	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.8	176.6	0	0	0	0	0	111.4	L47 I72 L85 I334 I335 L336	L47-A49 HydrophobicContact CD2-CB 3.89Å; A49-I72 CarbonylContact C-O 3.55Å; A49-I72 VanDerWaalsContact CA-O 3.3Å; A49-I72 WeakPolarHBondContact CA-O 3.44Å; A49-I72 HydrophobicContact CB-CB 3.96Å; A49-I72 HydrophobicContact CB-CG2 4.39Å; A49-L85 HydrophobicContact CB-CD2 4.17Å; A49-I334 PolarHBondContact N-O 3.27Å; A49-I335 HydrophobicContact CB-CB 4.46Å; A49-I335 HydrophobicContact CB-CG1 4.07Å; A49-I335 HydrophobicContact CB-CG2 4.39Å; A49-L336 PolarHBondContact O-N 3.27Å
50	W	98.4	Very high	96	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	118.3	168.3	-174.9	-96.7	0	0	0	109.2	V52 T54 F65 L67 F70 I72 V73 A74 L336 L352 L356 L360	W50-V52 HydrophobicContact CD2-CB 4.23Å; W50-V52 HydrophobicContact CD2-CG2 4.04Å; W50-V52 HydrophobicContact CE3-CG2 4.11Å; W50-V52 HydrophobicContact CH2-CB 4.09Å; W50-V52 HydrophobicContact CH2-CG2 3.76Å; W50-V52 HydrophobicContact CZ2-CB 3.48Å; W50-V52 VanDerWaalsContact CZ2-CB 3.48Å; W50-V52 HydrophobicContact CZ2-CG1 4.05Å; W50-V52 HydrophobicContact CZ2-CG2 3.67Å; W50-V52 HydrophobicContact CZ3-CG2 3.98Å; W50-V52 PolarHBondContact NE1-O 3.45Å; W50-V52 VanDerWaalsContact NE1-O 3.16Å; W50-T54 HydrophobicContact CZ2-CG2 3.84Å; W50-T54 PolarHBondContact NE1-OG1 3.42Å; W50-F65 HydrophobicContact CZ2-CD1 4.38Å; W50-L67 HydrophobicContact CB-CD2 4.38Å; W50-L67 HydrophobicContact CD2-CD2 3.66Å; W50-L67 HydrophobicContact CE3-CD2 4.1Å; W50-L67 HydrophobicContact CG-CD1 4.05Å; W50-L67 HydrophobicContact CG-CD2 3.81Å; W50-L67 HydrophobicContact CZ2-CD2 4.42Å; W50-F70 HydrophobicContact CB-CB 4.28Å; W50-F70 HydrophobicContact CB-CD1 3.92Å; W50-F70 HydrophobicContact CB-CD2 4.03Å; W50-F70 HydrophobicContact CB-CE1 4.26Å; W50-F70 HydrophobicContact CB-CE2 4.36Å; W50-F70 HydrophobicContact CB-CG 3.8Å; W50-F70 HydrophobicContact CB-CZ 4.47Å; W50-F70 HydrophobicContact CD2-CE2 4.41Å; W50-F70 HydrophobicContact CD2-CZ 4.42Å; W50-F70 HydrophobicContact CE3-CE1 4.04Å; W50-F70 AromaticContact CE3-CE2 3.82Å; W50-F70 HydrophobicContact CE3-CE2 3.82Å; W50-F70 AromaticContact CE3-CZ 3.5Å; W50-F70 HydrophobicContact CE3-CZ 3.5Å; W50-F70 HydrophobicContact CZ3-CZ 4.12Å; W50-I72 PolarHBondContact N-O 3.19Å; W50-V73 HydrophobicContact CB-CG2 4.44Å; W50-A74 PolarHBondContact O-N 2.96Å; W50-A74 VanDerWaalsContact O-O 3.07Å; W50-L336 HydrophobicContact CE3-CB 4.16Å; W50-L336 HydrophobicContact CE3-CD1 4.05Å; W50-L336 HydrophobicContact CZ3-CB 4.46Å; W50-L336 HydrophobicContact CZ3-CD1 4.06Å; W50-L352 HydrophobicContact CH2-CD2 4.25Å; W50-L352 HydrophobicContact CH2-CG 4.48Å; W50-L352 HydrophobicContact CZ2-CD2 4.25Å; W50-L356 HydrophobicContact CZ3-CD1 4.32Å; W50-L360 HydrophobicContact CZ3-CD2 4.27Å
51	N	97.8	Very high	96	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	32.9	177.5	-162.8	-148.2	0	0	0	111.5	T75 P76 L85 I335 L336	N51-T75 WeakPolarHBondContact ND2-CA 3.33Å; N51-T75 PolarHBondContact ND2-N 3.23Å; N51-P76 WeakPolarHBondContact O-CD 3.19Å; N51-L85 HydrophobicContact CB-CD2 3.69Å; N51-I335 HydrophobicContact CB-CG2 3.92Å; N51-L336 CarbonylContact C-O 3.47Å; N51-L336 VanDerWaalsContact C-O 3.29Å; N51-L336 VanDerWaalsContact CA-O 3.28Å; N51-L336 WeakPolarHBondContact CA-O 3.49Å; N51-L336 PolarHBondContact N-O 2.87Å
52	V	96.3	Very high	96	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.228	C	C	.	.			trans	-93.5	130.7	172.3	-172.3	0	0	0	0	108.4	W50 T54 P305 L336 H342 L352	W50-V52 HydrophobicContact CD2-CB 4.23Å; W50-V52 HydrophobicContact CD2-CG2 4.04Å; W50-V52 HydrophobicContact CE3-CG2 4.11Å; W50-V52 HydrophobicContact CH2-CB 4.09Å; W50-V52 HydrophobicContact CH2-CG2 3.76Å; W50-V52 HydrophobicContact CZ2-CB 3.48Å; W50-V52 VanDerWaalsContact CZ2-CB 3.48Å; W50-V52 HydrophobicContact CZ2-CG1 4.05Å; W50-V52 HydrophobicContact CZ2-CG2 3.67Å; W50-V52 HydrophobicContact CZ3-CG2 3.98Å; W50-V52 PolarHBondContact NE1-O 3.45Å; W50-V52 VanDerWaalsContact NE1-O 3.16Å; V52-T54 VanDerWaalsContact C-N 3.33Å; V52-T54 HydrophobicContact CB-CG2 4.34Å; V52-T54 HydrophobicContact CG1-CG2 3.91Å; V52-T54 PolarHBondContact O-N 2.85Å; V52-P305 HydrophobicContact CG2-CG 4.2Å; V52-L336 HydrophobicContact CG2-CB 4.46Å; V52-L336 PolarHBondContact N-O 3.05Å; V52-H342 HydrophobicContact CG1-CB 3.66Å; V52-L352 HydrophobicContact CG1-CD2 4.22Å
53	P	93.4	Very high	96.1	Very high	1 Å²	1	36 Å²	36	1%	0.006	20%	0.198	C	C	.	.			trans	-76.8	82.7	-177.6	31.1	-35.1	0	0	0	111	P76 N77 G338 D339	P53-P76 HydrophobicContact CB-CG 4.13Å; P53-P76 HydrophobicContact CG-CG 4.11Å; P53-N77 WeakPolarHBondContact CB-OD1 3.19Å; P53-G338 WeakPolarHBondContact CD-O 3.34Å; P53-D339 VanDerWaalsContact CG-C 3.4Å; P53-D339 WeakPolarHBondContact CG-O 3.26Å
54	T	93.9	Very high	96.1	Very high	9 Å²	9	35 Å²	35	6%	0.055	20%	0.204	C	C	.	.			trans	-106.3	10.7	178.7	54.9	0	0	0	0	113.3	W50 V52 E56 C57 F65 L352	W50-T54 HydrophobicContact CZ2-CG2 3.84Å; W50-T54 PolarHBondContact NE1-OG1 3.42Å; V52-T54 VanDerWaalsContact C-N 3.33Å; V52-T54 HydrophobicContact CB-CG2 4.34Å; V52-T54 HydrophobicContact CG1-CG2 3.91Å; V52-T54 PolarHBondContact O-N 2.85Å; T54-E56 PolarHBondContact O-N 3.18Å; T54-C57 WeakPolarHBondContact O-CB 3.26Å; T54-C57 PolarHBondContact O-N 3.15Å; T54-C57 VanDerWaalsContact O-N 3.14Å; T54-F65 HydrophobicContact CG2-CD1 4.49Å; T54-F65 HydrophobicContact CG2-CD2 4.4Å; T54-F65 HydrophobicContact CG2-CE1 4.08Å; T54-F65 HydrophobicContact CG2-CE2 3.98Å; T54-F65 HydrophobicContact CG2-CZ 3.81Å; T54-L352 HydrophobicContact CG2-CD2 3.83Å
55	Q	92	Very high	96	Very high	48 Å²	48	33 Å²	33	22%	0.224	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.7	-173.2	-64.8	70.3	43	0	0	111.8	C57 P59 T75 F80	Q55-C57 VanDerWaalsContact C-N 3.33Å; Q55-P59 WeakPolarHBondContact O-CD 3.41Å; Q55-T75 HydrophobicContact CG-CG2 4.11Å; Q55-T75 VanDerWaalsContact NE2-CB 3.29Å; Q55-T75 PolarHBondContact OE1-OG1 2.94Å; Q55-F80 HydrophobicContact CB-CE1 4.36Å; Q55-F80 HydrophobicContact CB-CE2 4.4Å; Q55-F80 HydrophobicContact CB-CZ 3.76Å; Q55-F80 HydrophobicContact CG-CE1 3.87Å; Q55-F80 HydrophobicContact CG-CE2 4.28Å; Q55-F80 HydrophobicContact CG-CZ 3.67Å
56	E	91.3	Very high	95.8	Very high	43 Å²	43	37 Å²	37	20%	0.201	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-20.2	179.9	-64.1	73.2	-160.2	0	0	112.4	T54 G58 W60 N77	T54-E56 PolarHBondContact O-N 3.18Å; E56-G58 VanDerWaalsContact C-N 3.32Å; E56-G58 PolarHBondContact O-N 3.47Å; E56-W60 HydrophobicContact CB-CD2 3.94Å; E56-W60 HydrophobicContact CB-CE3 3.69Å; E56-W60 HydrophobicContact CB-CH2 4.31Å; E56-W60 HydrophobicContact CB-CZ3 3.89Å; E56-W60 HydrophobicContact CG-CD2 4.39Å; E56-W60 HydrophobicContact CG-CE3 4.15Å; E56-W60 HydrophobicContact CG-CH2 3.83Å; E56-W60 HydrophobicContact CG-CZ2 4.09Å; E56-W60 HydrophobicContact CG-CZ3 3.87Å; E56-W60 VanDerWaalsContact O-CB 3.29Å; E56-W60 WeakPolarHBondContact O-CB 3.41Å; E56-W60 PolarHBondContact O-N 3.33Å; E56-N77 PolarHBondContact OE1-ND2 2.73Å; E56-N77 PolarHBondContact OE2-ND2 3.13Å
57	C	95.8	Very high	95.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-35.6	-178.3	-69.2	0	0	0	0	113.5	T54 Q55 H61 G62 I63 F65 C349	T54-C57 WeakPolarHBondContact O-CB 3.26Å; T54-C57 PolarHBondContact O-N 3.15Å; T54-C57 VanDerWaalsContact O-N 3.14Å; Q55-C57 VanDerWaalsContact C-N 3.33Å; C57-H61 CarbonylContact O-C 3.12Å; C57-H61 WeakPolarHBondContact O-CA 3.38Å; C57-H61 WeakPolarHBondContact O-CB 3.37Å; C57-H61 PolarHBondContact O-N 3.41Å; C57-H61 VanDerWaalsContact O-N 3.12Å; C57-G62 PolarHBondContact O-N 3.08Å; C57-I63 CarbonylContact C-O 3.44Å; C57-I63 VanDerWaalsContact C-O 3.23Å; C57-I63 HydrophobicContact CB-CB 4.41Å; C57-I63 PolarHBondContact O-N 3.24Å; C57-F65 HydrophobicContact CB-CD2 4.33Å; C57-F65 HydrophobicContact CB-CE2 3.66Å; C57-C349 VanDerWaalsContact CA-SG 3.6Å; C57-C349 HydrophobicContact CB-CB 3.74Å; C57-C349 WeakPolarHBondContact CB-SG 3.42Å; C57-C349 WeakPolarHBondContact SG-CB 3.32Å; C57-C349 CovalentContact SG-SG 2.04Å; C57-C349 PolarHBondContact SG-SG 3.13Å
58	G	95.9	Very high	95.2	Very high	32 Å²	32	43.3 Å²	43.3	33%	0.33	25%	0.247	S	C	.	.	H	α-helix	trans	-68.6	-64.6	178.3	0	0	0	0	0	111.6	E56 W60 G62 I63	E56-G58 VanDerWaalsContact C-N 3.32Å; E56-G58 PolarHBondContact O-N 3.47Å; G58-W60 PolarHBondContact O-N 2.96Å; G58-G62 VanDerWaalsContact O-CA 3.3Å; G58-G62 WeakPolarHBondContact O-CA 3.4Å; G58-G62 PolarHBondContact O-N 3.28Å; G58-I63 VanDerWaalsContact CA-O 3.23Å; G58-I63 WeakPolarHBondContact CA-O 3.33Å; G58-I63 PolarHBondContact N-O 2.94Å; G58-I63 VanDerWaalsContact N-O 3.11Å
59	P	94.9	Very high	94.9	Very high	109 Å²	109	44.9 Å²	44.9	71%	0.708	25%	0.254	S	S	*	.	H	α-helix	trans	-61.7	-36.5	-177.4	-25.1	35.5	0	0	0	114.5	Q55	Q55-P59 WeakPolarHBondContact O-CD 3.41Å
60	W	95	Very high	94.9	Very high	183 Å²	183	45.6 Å²	45.6	69%	0.693	26%	0.258	S	S	*	.	H	α-helix	trans	-94.8	-29.4	-173	-60.9	-8.3	0	0	0	113.8	E56 G58	E56-W60 HydrophobicContact CB-CD2 3.94Å; E56-W60 HydrophobicContact CB-CE3 3.69Å; E56-W60 HydrophobicContact CB-CH2 4.31Å; E56-W60 HydrophobicContact CB-CZ3 3.89Å; E56-W60 HydrophobicContact CG-CD2 4.39Å; E56-W60 HydrophobicContact CG-CE3 4.15Å; E56-W60 HydrophobicContact CG-CH2 3.83Å; E56-W60 HydrophobicContact CG-CZ2 4.09Å; E56-W60 HydrophobicContact CG-CZ3 3.87Å; E56-W60 VanDerWaalsContact O-CB 3.29Å; E56-W60 WeakPolarHBondContact O-CB 3.41Å; E56-W60 PolarHBondContact O-N 3.33Å; G58-W60 PolarHBondContact O-N 2.96Å
61	H	96.5	Very high	94.8	Very high	42 Å²	42	48 Å²	48	19%	0.194	27%	0.269	C	S	.	.	H	α-helix	trans	-122.8	-3.9	-171.6	-55	-58.4	0	0	0	113.9	C57 I63 K346	C57-H61 CarbonylContact O-C 3.12Å; C57-H61 WeakPolarHBondContact O-CA 3.38Å; C57-H61 WeakPolarHBondContact O-CB 3.37Å; C57-H61 PolarHBondContact O-N 3.41Å; C57-H61 VanDerWaalsContact O-N 3.12Å; H61-I63 VanDerWaalsContact C-N 3.32Å; H61-I63 HydrophobicContact CB-CD1 4.11Å; H61-I63 HydrophobicContact CB-CG1 4.5Å; H61-K346 HydrophobicContact CB-CB 4.05Å; H61-K346 HydrophobicContact CB-CG 4.16Å; H61-K346 PolarHBondContact ND1-N 3.18Å
62	G	96.6	Very high	94.9	Very high	70 Å²	70	48.1 Å²	48.1	72%	0.722	27%	0.27	S	S	*	.	S	Bend	trans	71	24	-179.2	0	0	0	0	0	113.7	C57 G58	C57-G62 PolarHBondContact O-N 3.08Å; G58-G62 VanDerWaalsContact O-CA 3.3Å; G58-G62 WeakPolarHBondContact O-CA 3.4Å; G58-G62 PolarHBondContact O-N 3.28Å
63	I	96.9	Very high	94.9	Very high	19 Å²	19	51.7 Å²	51.7	10%	0.097	29%	0.291	C	S	.	.			trans	-114.4	116.1	-174.9	-64.5	162.9	0	0	0	109.7	C57 G58 H61 F65 K346 C349 N353	C57-I63 CarbonylContact C-O 3.44Å; C57-I63 VanDerWaalsContact C-O 3.23Å; C57-I63 HydrophobicContact CB-CB 4.41Å; C57-I63 PolarHBondContact O-N 3.24Å; G58-I63 VanDerWaalsContact CA-O 3.23Å; G58-I63 WeakPolarHBondContact CA-O 3.33Å; G58-I63 PolarHBondContact N-O 2.94Å; G58-I63 VanDerWaalsContact N-O 3.11Å; H61-I63 VanDerWaalsContact C-N 3.32Å; H61-I63 HydrophobicContact CB-CD1 4.11Å; H61-I63 HydrophobicContact CB-CG1 4.5Å; I63-F65 HydrophobicContact CG2-CD2 4.47Å; I63-F65 HydrophobicContact CG2-CE2 4Å; I63-K346 HydrophobicContact CD1-CG 4.01Å; I63-K346 WeakPolarHBondContact CD1-O 3.39Å; I63-C349 HydrophobicContact CB-CB 4.33Å; I63-C349 HydrophobicContact CD1-CB 3.57Å; I63-C349 HydrophobicContact CG2-CB 4.33Å; I63-N353 HydrophobicContact CG2-CB 3.71Å
64	S	94.6	Very high	95.1	Very high	96 Å²	96	51.8 Å²	51.8	67%	0.671	29%	0.292	S	S	*	.			trans	-105.9	128.5	177.8	-171.5	0	0	0	0	111.1	N353	S64-N353 PolarHBondContact O-OD1 2.96Å
65	F	95.1	Very high	95.1	Very high	24 Å²	24	51.5 Å²	51.5	11%	0.105	29%	0.29	C	S	.	.			trans	-85.3	134.1	178.4	-72.9	-103.7	0	0	0	110.7	W50 T54 C57 I63 L67 C349 L352 N353 L356	W50-F65 HydrophobicContact CZ2-CD1 4.38Å; T54-F65 HydrophobicContact CG2-CD1 4.49Å; T54-F65 HydrophobicContact CG2-CD2 4.4Å; T54-F65 HydrophobicContact CG2-CE1 4.08Å; T54-F65 HydrophobicContact CG2-CE2 3.98Å; T54-F65 HydrophobicContact CG2-CZ 3.81Å; C57-F65 HydrophobicContact CB-CD2 4.33Å; C57-F65 HydrophobicContact CB-CE2 3.66Å; I63-F65 HydrophobicContact CG2-CD2 4.47Å; I63-F65 HydrophobicContact CG2-CE2 4Å; F65-L67 HydrophobicContact CB-CD1 4.28Å; F65-L67 HydrophobicContact CB-CD2 4.26Å; F65-L67 HydrophobicContact CB-CG 4Å; F65-C349 WeakPolarHBondContact CZ-O 3.43Å; F65-L352 HydrophobicContact CE1-CB 4.14Å; F65-L352 HydrophobicContact CE1-CD2 3.87Å; F65-L352 HydrophobicContact CE1-CG 3.81Å; F65-L352 HydrophobicContact CZ-CB 4.23Å; F65-L352 HydrophobicContact CZ-CD2 4.06Å; F65-L352 HydrophobicContact CZ-CG 4.26Å; F65-N353 HydrophobicContact CD1-CB 4.28Å; F65-N353 HydrophobicContact CE1-CB 3.84Å; F65-N353 HydrophobicContact CE2-CB 4.4Å; F65-N353 HydrophobicContact CZ-CB 3.91Å; F65-L356 HydrophobicContact CB-CD2 4.27Å; F65-L356 HydrophobicContact CD1-CD2 3.65Å; F65-L356 HydrophobicContact CG-CD2 4.46Å
66	Q	92.8	Very high	95	Very high	90 Å²	90	49.6 Å²	49.6	42%	0.421	28%	0.282	S	S	.	.			trans	-91.3	106.4	170.2	-67.8	-178.9	13.7	0	0	109	L356	Q66-L356 WeakPolarHBondContact O-CD2 3.23Å
67	L	95	Very high	95	Very high	28 Å²	28	49.3 Å²	49.3	15%	0.147	28%	0.282	C	S	.	.			trans	-111.6	21.3	-171.6	-62.9	173.3	0	0	0	113	W50 F65 Q69 F70 V73 L356	W50-L67 HydrophobicContact CB-CD2 4.38Å; W50-L67 HydrophobicContact CD2-CD2 3.66Å; W50-L67 HydrophobicContact CE3-CD2 4.1Å; W50-L67 HydrophobicContact CG-CD1 4.05Å; W50-L67 HydrophobicContact CG-CD2 3.81Å; W50-L67 HydrophobicContact CZ2-CD2 4.42Å; F65-L67 HydrophobicContact CB-CD1 4.28Å; F65-L67 HydrophobicContact CB-CD2 4.26Å; F65-L67 HydrophobicContact CB-CG 4Å; L67-Q69 PolarHBondContact O-N 2.89Å; L67-F70 HydrophobicContact CB-CD2 3.97Å; L67-F70 HydrophobicContact CD2-CD2 3.8Å; L67-F70 HydrophobicContact CD2-CE2 3.69Å; L67-F70 WeakPolarHBondContact O-CD2 3.37Å; L67-F70 PolarHBondContact O-N 3.3Å; L67-V73 HydrophobicContact CB-CG2 3.8Å; L67-V73 HydrophobicContact CD1-CG1 3.59Å; L67-V73 HydrophobicContact CD1-CG2 4.07Å; L67-L356 HydrophobicContact CD2-CD2 3.58Å
68	D	90.1	Very high	94.8	Very high	114 Å²	114	54 Å²	54	61%	0.61	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.1	-173.8	-58.2	-83.5	0	0	0	115.1
69	Q	92.1	Very high	94.6	Very high	33 Å²	33	55.9 Å²	55.9	15%	0.154	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-17.1	179.3	-62.9	-171.6	-15	0	0	113.5	L67 Q71 S361 L364	L67-Q69 PolarHBondContact O-N 2.89Å; Q69-Q71 PolarHBondContact O-NE2 3.41Å; Q69-S361 VanDerWaalsContact CD-O 3.3Å; Q69-S361 PolarHBondContact NE2-O 3.2Å; Q69-S361 PolarHBondContact OE1-O 3.07Å; Q69-L364 VanDerWaalsContact OE1-CB 3.24Å
70	F	97.7	Very high	94.5	Very high	16 Å²	16	54.6 Å²	54.6	7%	0.07	31%	0.306	C	S	.	.			trans	-92.1	129.5	-178.1	-59.2	-83.3	0	0	0	110.2	L48 W50 L67 I72 V73 L336 L356 L364	L48-F70 HydrophobicContact CB-CD1 3.83Å; L48-F70 HydrophobicContact CB-CE1 4.38Å; L48-F70 CarbonylContact O-C 3.6Å; L48-F70 WeakPolarHBondContact O-CA 3.45Å; W50-F70 HydrophobicContact CB-CB 4.28Å; W50-F70 HydrophobicContact CB-CD1 3.92Å; W50-F70 HydrophobicContact CB-CD2 4.03Å; W50-F70 HydrophobicContact CB-CE1 4.26Å; W50-F70 HydrophobicContact CB-CE2 4.36Å; W50-F70 HydrophobicContact CB-CG 3.8Å; W50-F70 HydrophobicContact CB-CZ 4.47Å; W50-F70 HydrophobicContact CD2-CE2 4.41Å; W50-F70 HydrophobicContact CD2-CZ 4.42Å; W50-F70 HydrophobicContact CE3-CE1 4.04Å; W50-F70 AromaticContact CE3-CE2 3.82Å; W50-F70 HydrophobicContact CE3-CE2 3.82Å; W50-F70 AromaticContact CE3-CZ 3.5Å; W50-F70 HydrophobicContact CE3-CZ 3.5Å; W50-F70 HydrophobicContact CZ3-CZ 4.12Å; L67-F70 HydrophobicContact CB-CD2 3.97Å; L67-F70 HydrophobicContact CD2-CD2 3.8Å; L67-F70 HydrophobicContact CD2-CE2 3.69Å; L67-F70 WeakPolarHBondContact O-CD2 3.37Å; L67-F70 PolarHBondContact O-N 3.3Å; F70-I72 VanDerWaalsContact C-N 3.28Å; F70-V73 HydrophobicContact CB-CG2 4.09Å; F70-L336 HydrophobicContact CE1-CD1 3.58Å; F70-L336 HydrophobicContact CE1-CG 4.45Å; F70-L336 HydrophobicContact CZ-CD1 3.7Å; F70-L356 HydrophobicContact CE2-CD1 4.06Å; F70-L356 HydrophobicContact CZ-CD1 4.33Å; F70-L364 HydrophobicContact CE1-CD1 3.77Å; F70-L364 HydrophobicContact CE2-CD1 4.27Å; F70-L364 HydrophobicContact CZ-CD1 3.43Å; F70-L364 VanDerWaalsContact CZ-CD1 3.43Å
71	Q	98.1	Very high	94.5	Very high	50 Å²	50	48.5 Å²	48.5	23%	0.234	29%	0.289	C	S	.	.	S	Bend	trans	-75.6	-24.2	173	-65.3	72.1	40.8	0	0	111.3	F41 L48 Q69	F41-Q71 HydrophobicContact CD1-CB 4.46Å; F41-Q71 HydrophobicContact CD2-CB 3.75Å; F41-Q71 HydrophobicContact CD2-CG 4.15Å; F41-Q71 HydrophobicContact CE1-CB 4.29Å; F41-Q71 HydrophobicContact CE2-CB 3.56Å; F41-Q71 HydrophobicContact CE2-CG 4.44Å; F41-Q71 HydrophobicContact CG-CB 4.21Å; F41-Q71 HydrophobicContact CG-CG 4.28Å; F41-Q71 HydrophobicContact CZ-CB 3.84Å; L48-Q71 PolarHBondContact O-N 3.42Å; L48-Q71 PolarHBondContact O-OE1 3.46Å; Q69-Q71 PolarHBondContact O-NE2 3.41Å
72	I	98.4	Very high	94.5	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.6	174.2	-60.4	-179.7	0	0	0	109.2	F41 L47 L48 A49 W50 F70 A74 N84 L85 L139	F41-I72 HydrophobicContact CE2-CD1 4.3Å; F41-I72 HydrophobicContact CE2-CG1 3.98Å; F41-I72 HydrophobicContact CZ-CG1 4.07Å; L47-I72 HydrophobicContact CD1-CD1 3.9Å; L47-I72 HydrophobicContact CD1-CG1 4.47Å; L47-I72 HydrophobicContact CD2-CD1 4.26Å; L48-I72 PolarHBondContact O-N 2.84Å; A49-I72 CarbonylContact C-O 3.55Å; A49-I72 VanDerWaalsContact CA-O 3.3Å; A49-I72 WeakPolarHBondContact CA-O 3.44Å; A49-I72 HydrophobicContact CB-CB 3.96Å; A49-I72 HydrophobicContact CB-CG2 4.39Å; W50-I72 PolarHBondContact N-O 3.19Å; F70-I72 VanDerWaalsContact C-N 3.28Å; I72-A74 HydrophobicContact CG2-CB 4.19Å; I72-N84 HydrophobicContact CD1-CB 3.98Å; I72-N84 HydrophobicContact CG1-CB 4.01Å; I72-N84 HydrophobicContact CG2-CB 4.11Å; I72-L85 HydrophobicContact CG2-CB 3.64Å; I72-L139 HydrophobicContact CD1-CD1 4.33Å; I72-L139 HydrophobicContact CD1-CG 4.4Å
73	V	97.6	Very high	94.5	Very high	74 Å²	74	54 Å²	54	45%	0.448	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115.5	166.7	179.1	0	0	0	0	107.5	W50 L67 F70	W50-V73 HydrophobicContact CB-CG2 4.44Å; L67-V73 HydrophobicContact CB-CG2 3.8Å; L67-V73 HydrophobicContact CD1-CG1 3.59Å; L67-V73 HydrophobicContact CD1-CG2 4.07Å; F70-V73 HydrophobicContact CB-CG2 4.09Å
74	A	96.9	Very high	94.5	Very high	3 Å²	3	57 Å²	57	3%	0.025	30%	0.304	C	S	.	.			trans	-137	174.9	-177.2	0	0	0	0	0	110.4	W50 I72 Q83 L85	W50-A74 PolarHBondContact O-N 2.96Å; W50-A74 VanDerWaalsContact O-O 3.07Å; I72-A74 HydrophobicContact CG2-CB 4.19Å; A74-Q83 HydrophobicContact CB-CB 4.24Å; A74-L85 HydrophobicContact CB-CB 3.91Å; A74-L85 HydrophobicContact CB-CD2 4.37Å; A74-L85 HydrophobicContact CB-CG 4.35Å; A74-L85 WeakPolarHBondContact CB-O 3.49Å
75	T	94.3	Very high	94.7	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.025	27%	0.272	C	S	.	.			trans	-145	143	175.5	175.8	0	0	0	0	111.4	N51 Q55 N77 F80 Q83	N51-T75 WeakPolarHBondContact ND2-CA 3.33Å; N51-T75 PolarHBondContact ND2-N 3.23Å; Q55-T75 HydrophobicContact CG-CG2 4.11Å; Q55-T75 VanDerWaalsContact NE2-CB 3.29Å; Q55-T75 PolarHBondContact OE1-OG1 2.94Å; T75-N77 HydrophobicContact CG2-CB 4.25Å; T75-N77 PolarHBondContact O-N 2.81Å; T75-N77 WeakPolarHBondContact OG1-CB 3.46Å; T75-N77 PolarHBondContact OG1-N 3.35Å; T75-F80 HydrophobicContact CG2-CB 3.47Å; T75-F80 VanDerWaalsContact CG2-CB 3.47Å; T75-F80 HydrophobicContact CG2-CD1 3.73Å; T75-F80 HydrophobicContact CG2-CD2 3.44Å; T75-F80 VanDerWaalsContact CG2-CD2 3.44Å; T75-F80 HydrophobicContact CG2-CE1 4.31Å; T75-F80 HydrophobicContact CG2-CE2 4.06Å; T75-F80 HydrophobicContact CG2-CG 3.25Å; T75-F80 HydrophobicContact CG2-CZ 4.46Å; T75-Q83 PolarHBondContact O-OE1 3.49Å; T75-Q83 VanDerWaalsContact O-OE1 3.07Å
76	P	89.5	Confident	94.8	Very high	8 Å²	8	51.4 Å²	51.4	5%	0.052	27%	0.268	C	S	.	.			trans	-70	-7.8	173.5	29.2	-35.2	0	0	0	113.4	N51 P53 Y89 R92	N51-P76 WeakPolarHBondContact O-CD 3.19Å; P53-P76 HydrophobicContact CB-CG 4.13Å; P53-P76 HydrophobicContact CG-CG 4.11Å; P76-Y89 HydrophobicContact CB-CE2 3.67Å; P76-Y89 WeakPolarHBondContact CB-OH 3.45Å; P76-R92 PolarHBondContact O-NH1 3.26Å; P76-R92 PolarHBondContact O-NH2 3.41Å
77	N	91.9	Very high	95	Very high	37 Å²	37	47.5 Å²	47.5	20%	0.198	25%	0.25	C	C	.	.			trans	-64.4	135.2	-175.6	-69.8	-1.7	0	0	0	112.1	P53 E56 T75 G79 F80	P53-N77 WeakPolarHBondContact CB-OD1 3.19Å; E56-N77 PolarHBondContact OE1-ND2 2.73Å; E56-N77 PolarHBondContact OE2-ND2 3.13Å; T75-N77 HydrophobicContact CG2-CB 4.25Å; T75-N77 PolarHBondContact O-N 2.81Å; T75-N77 WeakPolarHBondContact OG1-CB 3.46Å; T75-N77 PolarHBondContact OG1-N 3.35Å; N77-G79 VanDerWaalsContact C-N 3.27Å; N77-G79 PolarHBondContact O-N 2.82Å; N77-F80 HydrophobicContact CB-CD2 3.62Å; N77-F80 HydrophobicContact CB-CE2 3.91Å; N77-F80 PolarHBondContact O-N 2.88Å
78	E	90.3	Very high	95.1	Very high	99 Å²	99	46.1 Å²	46.1	46%	0.463	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-32.9	-169.4	-161.2	-152.9	146.2	0	0	114	F80 K129 Y130	E78-F80 PolarHBondContact O-N 3.41Å; E78-K129 IonicContact OE1-NZ 2.84Å; E78-K129 PolarHBondContact OE1-NZ 3.25Å; E78-Y130 WeakPolarHBondContact CG-OH 3.34Å; E78-Y130 WeakPolarHBondContact O-CE1 3.46Å; E78-Y130 PolarHBondContact O-OH 2.94Å
79	G	91.8	Very high	95.5	Very high	70 Å²	70	42.9 Å²	42.9	72%	0.722	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-8.7	-176.9	0	0	0	0	0	114.8	N77	N77-G79 VanDerWaalsContact C-N 3.27Å; N77-G79 PolarHBondContact O-N 2.82Å
80	F	93.4	Very high	95.6	Very high	82 Å²	82	44.1 Å²	44.1	36%	0.36	23%	0.227	S	C	.	.			trans	-100.4	120.8	-176.6	-65.6	-99.6	0	0	0	110.7	Q55 T75 N77 E78	Q55-F80 HydrophobicContact CB-CE1 4.36Å; Q55-F80 HydrophobicContact CB-CE2 4.4Å; Q55-F80 HydrophobicContact CB-CZ 3.76Å; Q55-F80 HydrophobicContact CG-CE1 3.87Å; Q55-F80 HydrophobicContact CG-CE2 4.28Å; Q55-F80 HydrophobicContact CG-CZ 3.67Å; T75-F80 HydrophobicContact CG2-CB 3.47Å; T75-F80 VanDerWaalsContact CG2-CB 3.47Å; T75-F80 HydrophobicContact CG2-CD1 3.73Å; T75-F80 HydrophobicContact CG2-CD2 3.44Å; T75-F80 VanDerWaalsContact CG2-CD2 3.44Å; T75-F80 HydrophobicContact CG2-CE1 4.31Å; T75-F80 HydrophobicContact CG2-CE2 4.06Å; T75-F80 HydrophobicContact CG2-CG 3.25Å; T75-F80 HydrophobicContact CG2-CZ 4.46Å; N77-F80 HydrophobicContact CB-CD2 3.62Å; N77-F80 HydrophobicContact CB-CE2 3.91Å; N77-F80 PolarHBondContact O-N 2.88Å; E78-F80 PolarHBondContact O-N 3.41Å
81	V	95.8	Very high	95.4	Very high	55 Å²	55	48.2 Å²	48.2	33%	0.333	25%	0.25	S	C	.	.			trans	-123.6	171.3	-177.2	-62.1	0	0	0	0	110.1	Q83 K129 Y130	V81-Q83 VanDerWaalsContact C-N 3.35Å; V81-Q83 PolarHBondContact O-N 3.05Å; V81-K129 WeakPolarHBondContact CB-O 3.23Å; V81-K129 HydrophobicContact CG1-CG 4.17Å; V81-K129 WeakPolarHBondContact CG1-O 3.43Å; V81-Y130 HydrophobicContact CG1-CD1 3.8Å; V81-Y130 HydrophobicContact CG1-CE1 4.11Å
82	R	96.3	Very high	95.3	Very high	195 Å²	195	47.5 Å²	47.5	74%	0.736	25%	0.245	S	C	*	.	S	Bend	trans	62.2	39	178	-56.6	171.3	-176.1	-179.2	1.1	113.1	Y130 P132	R82-Y130 WeakPolarHBondContact CA-O 3.33Å; R82-Y130 PolarHBondContact N-O 3.29Å; R82-P132 HydrophobicContact CG-CG 3.45Å; R82-P132 VanDerWaalsContact CG-CG 3.45Å
83	Q	96.5	Very high	95.2	Very high	33 Å²	33	47.3 Å²	47.3	15%	0.154	24%	0.244	C	C	.	.			trans	-98	147	-179.5	-63	-179.4	-35.4	0	0	111.5	A74 T75 V81 L85 T86	A74-Q83 HydrophobicContact CB-CB 4.24Å; T75-Q83 PolarHBondContact O-OE1 3.49Å; T75-Q83 VanDerWaalsContact O-OE1 3.07Å; V81-Q83 VanDerWaalsContact C-N 3.35Å; V81-Q83 PolarHBondContact O-N 3.05Å; Q83-L85 VanDerWaalsContact CB-O 3.3Å; Q83-L85 WeakPolarHBondContact CB-O 3.48Å; Q83-L85 PolarHBondContact O-N 3.33Å; Q83-L85 PolarHBondContact OE1-O 3.04Å; Q83-T86 PolarHBondContact O-OG1 3.41Å
84	N	96.9	Very high	95.2	Very high	82 Å²	82	44.4 Å²	44.4	44%	0.439	23%	0.229	S	C	.	.	S	Bend	trans	-74	-11.1	176.2	-67.2	32.9	0	0	0	113	I72 G138 L139	I72-N84 HydrophobicContact CD1-CB 3.98Å; I72-N84 HydrophobicContact CG1-CB 4.01Å; I72-N84 HydrophobicContact CG2-CB 4.11Å; N84-G138 CarbonylContact O-C 3.55Å; N84-G138 WeakPolarHBondContact O-CA 3.36Å; N84-L139 PolarHBondContact O-N 3.11Å
85	L	98.3	Very high	95.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	115.6	164	166.6	66.7	0	0	0	106.8	A49 N51 I72 A74 Q83 L139 V141 I335	A49-L85 HydrophobicContact CB-CD2 4.17Å; N51-L85 HydrophobicContact CB-CD2 3.69Å; I72-L85 HydrophobicContact CG2-CB 3.64Å; A74-L85 HydrophobicContact CB-CB 3.91Å; A74-L85 HydrophobicContact CB-CD2 4.37Å; A74-L85 HydrophobicContact CB-CG 4.35Å; A74-L85 WeakPolarHBondContact CB-O 3.49Å; Q83-L85 VanDerWaalsContact CB-O 3.3Å; Q83-L85 WeakPolarHBondContact CB-O 3.48Å; Q83-L85 PolarHBondContact O-N 3.33Å; Q83-L85 PolarHBondContact OE1-O 3.04Å; L85-L139 WeakPolarHBondContact CA-O 3.43Å; L85-L139 HydrophobicContact CB-CB 4.32Å; L85-L139 HydrophobicContact CD1-CB 3.46Å; L85-L139 VanDerWaalsContact CD1-CB 3.46Å; L85-L139 HydrophobicContact CD1-CD1 4.06Å; L85-L139 HydrophobicContact CD1-CG 4.39Å; L85-L139 HydrophobicContact CG-CB 4.49Å; L85-V141 HydrophobicContact CD1-CG2 3.75Å; L85-I335 HydrophobicContact CD1-CD1 4.37Å; L85-I335 HydrophobicContact CD2-CG2 3.74Å
86	T	97.7	Very high	95.5	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.8	176.2	-61.8	0	0	0	0	109	Q83 F88 Y130 I131 L139 A140 V141	Q83-T86 PolarHBondContact O-OG1 3.41Å; T86-F88 HydrophobicContact CG2-CD2 3.99Å; T86-F88 HydrophobicContact CG2-CE1 4.14Å; T86-F88 HydrophobicContact CG2-CE2 3.47Å; T86-F88 VanDerWaalsContact CG2-CE2 3.47Å; T86-F88 HydrophobicContact CG2-CZ 3.57Å; T86-Y130 HydrophobicContact CG2-CG 4.18Å; T86-I131 HydrophobicContact CG2-CD1 4.42Å; T86-I131 HydrophobicContact CG2-CG1 4.23Å; T86-L139 PolarHBondContact N-O 3.46Å; T86-A140 WeakPolarHBondContact O-CA 3.48Å; T86-V141 PolarHBondContact O-N 3.1Å
87	M	96.9	Very high	95.9	Very high	7 Å²	7	45.2 Å²	45.2	3%	0.034	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.3	176.8	-171.1	169.1	166.7	0	0	109.7	Y89 V141 D143 Y302	M87-Y89 HydrophobicContact CE-CD1 4.39Å; M87-Y89 HydrophobicContact CE-CE1 3.55Å; M87-Y89 HydrophobicContact CE-CE2 4.5Å; M87-Y89 WeakPolarHBondContact CE-OH 3.08Å; M87-Y89 HydrophobicContact CG-CE2 4.35Å; M87-V141 CarbonylContact C-O 3.54Å; M87-V141 WeakPolarHBondContact CA-O 3.45Å; M87-D143 HydrophobicContact CE-CB 3.52Å; M87-D143 WeakPolarHBondContact CE-OD2 3.43Å; M87-D143 HydrophobicContact CG-CB 4.13Å; M87-Y302 HydrophobicContact SD-CE1 4.47Å
88	F	97.7	Very high	96.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	97.3	-178.3	-67.6	-86.6	0	0	0	110.1	T86 R92 L93 V127 Y130 I131 A140 V141 D143 W213	T86-F88 HydrophobicContact CG2-CD2 3.99Å; T86-F88 HydrophobicContact CG2-CE1 4.14Å; T86-F88 HydrophobicContact CG2-CE2 3.47Å; T86-F88 VanDerWaalsContact CG2-CE2 3.47Å; T86-F88 HydrophobicContact CG2-CZ 3.57Å; F88-R92 HydrophobicContact CD1-CB 4.19Å; F88-L93 HydrophobicContact CB-CB 3.85Å; F88-L93 HydrophobicContact CB-CD2 4.22Å; F88-L93 HydrophobicContact CD1-CB 3.9Å; F88-L93 HydrophobicContact CD1-CD1 4.04Å; F88-L93 HydrophobicContact CD1-CG 4.43Å; F88-L93 HydrophobicContact CE1-CD1 4.15Å; F88-L93 HydrophobicContact CG-CB 4.08Å; F88-L93 HydrophobicContact CG-CD1 4.41Å; F88-L93 HydrophobicContact CG-CD2 4.28Å; F88-V127 HydrophobicContact CZ-CG2 4.49Å; F88-Y130 HydrophobicContact CD1-CD2 4.24Å; F88-Y130 AromaticContact CE1-CD2 3.78Å; F88-Y130 HydrophobicContact CE1-CD2 3.78Å; F88-Y130 HydrophobicContact CE1-CG 4.25Å; F88-I131 HydrophobicContact CE2-CD1 4.05Å; F88-I131 HydrophobicContact CZ-CD1 3.99Å; F88-I131 HydrophobicContact CZ-CG1 4.29Å; F88-A140 HydrophobicContact CE2-CB 4.37Å; F88-V141 PolarHBondContact N-O 2.99Å; F88-D143 PolarHBondContact O-N 3.03Å; F88-W213 HydrophobicContact CD2-CH2 4.23Å; F88-W213 AromaticContact CD2-CZ3 3.91Å; F88-W213 HydrophobicContact CD2-CZ3 3.91Å; F88-W213 AromaticContact CE2-CH2 3.51Å; F88-W213 HydrophobicContact CE2-CH2 3.51Å; F88-W213 AromaticContact CE2-CZ3 3.64Å; F88-W213 HydrophobicContact CE2-CZ3 3.64Å; F88-W213 AromaticContact CZ-CH2 3.99Å; F88-W213 HydrophobicContact CZ-CH2 3.99Å; F88-W213 HydrophobicContact CZ-CZ3 4.48Å
89	Y	96.7	Very high	96.6	Very high	46 Å²	46	40.7 Å²	40.7	18%	0.18	21%	0.208	C	C	.	.			trans	-65.4	169.8	169.1	-66.6	-77.1	0	0	0	111.9	P76 M87 D91 R92 D143 W337	P76-Y89 HydrophobicContact CB-CE2 3.67Å; P76-Y89 WeakPolarHBondContact CB-OH 3.45Å; M87-Y89 HydrophobicContact CE-CD1 4.39Å; M87-Y89 HydrophobicContact CE-CE1 3.55Å; M87-Y89 HydrophobicContact CE-CE2 4.5Å; M87-Y89 WeakPolarHBondContact CE-OH 3.08Å; M87-Y89 HydrophobicContact CG-CE2 4.35Å; Y89-D91 PolarHBondContact O-N 3.05Å; Y89-R92 VanDerWaalsContact CD2-CZ 3.47Å; Y89-R92 PolarHBondContact O-N 2.98Å; Y89-D143 HydrophobicContact CD1-CB 4.18Å; Y89-D143 WeakPolarHBondContact CD1-OD2 3.25Å; Y89-D143 HydrophobicContact CE1-CB 4.47Å; Y89-D143 WeakPolarHBondContact CE1-OD2 3.25Å; Y89-W337 PolarHBondContact OH-NE1 3.47Å
90	K	94.6	Very high	96.8	Very high	58 Å²	58	40.8 Å²	40.8	25%	0.252	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-30.2	-174.2	67.1	-178.4	179.4	179.8	0	115.6	Y96 Y98 E146	K90-Y96 HydrophobicContact CB-CD1 3.85Å; K90-Y96 HydrophobicContact CB-CE1 4.25Å; K90-Y98 HydrophobicContact CD-CD1 4.33Å; K90-Y98 HydrophobicContact CD-CD2 4.29Å; K90-Y98 HydrophobicContact CD-CE1 4.17Å; K90-Y98 HydrophobicContact CD-CE2 4.17Å; K90-Y98 HydrophobicContact CD-CG 4.4Å; K90-E146 HydrophobicContact CD-CG 3.99Å; K90-E146 WeakPolarHBondContact CD-OE1 3.26Å; K90-E146 WeakPolarHBondContact CE-OE1 3.38Å; K90-E146 IonicContact NZ-OE1 2.75Å; K90-E146 PolarHBondContact NZ-OE1 3.45Å
91	D	93.8	Very high	96.8	Very high	103 Å²	103	46.5 Å²	46.5	55%	0.551	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-1.4	-176.4	62.4	-36.6	0	0	0	114.1	Y89	Y89-D91 PolarHBondContact O-N 3.05Å
92	R	95.5	Very high	96.8	Very high	35 Å²	35	49.4 Å²	49.4	13%	0.132	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-9.5	-170.4	-59	-174.2	-170.4	177	5.5	115.3	P76 F88 Y89 Y130	P76-R92 PolarHBondContact O-NH1 3.26Å; P76-R92 PolarHBondContact O-NH2 3.41Å; F88-R92 HydrophobicContact CD1-CB 4.19Å; Y89-R92 VanDerWaalsContact CD2-CZ 3.47Å; Y89-R92 PolarHBondContact O-N 2.98Å; R92-Y130 HydrophobicContact CB-CE2 3.98Å; R92-Y130 HydrophobicContact CG-CE2 4.26Å
93	L	97.1	Very high	96.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-135.2	96.2	-177.1	-171.4	66.8	0	0	0	111.4	F88 H119 M123 V127 I142 W144 T200 W213	F88-L93 HydrophobicContact CB-CB 3.85Å; F88-L93 HydrophobicContact CB-CD2 4.22Å; F88-L93 HydrophobicContact CD1-CB 3.9Å; F88-L93 HydrophobicContact CD1-CD1 4.04Å; F88-L93 HydrophobicContact CD1-CG 4.43Å; F88-L93 HydrophobicContact CE1-CD1 4.15Å; F88-L93 HydrophobicContact CG-CB 4.08Å; F88-L93 HydrophobicContact CG-CD1 4.41Å; F88-L93 HydrophobicContact CG-CD2 4.28Å; L93-H119 PolarHBondContact O-CE1 2.8Å; L93-M123 HydrophobicContact CD1-CB 4.31Å; L93-M123 HydrophobicContact CD1-CE 3.79Å; L93-M123 HydrophobicContact CD1-CG 4.27Å; L93-M123 HydrophobicContact CD2-CE 4.18Å; L93-M123 HydrophobicContact CG-CE 3.93Å; L93-M123 HydrophobicContact CG-CG 4.3Å; L93-V127 HydrophobicContact CD1-CG2 3.57Å; L93-I142 HydrophobicContact CD2-CB 4.5Å; L93-I142 HydrophobicContact CD2-CD1 3.79Å; L93-I142 HydrophobicContact CD2-CG1 3.7Å; L93-I142 HydrophobicContact CD2-CG2 4.13Å; L93-W144 WeakPolarHBondContact O-CZ2 3.45Å; L93-T200 HydrophobicContact CD2-CG2 4.24Å; L93-W213 HydrophobicContact CD2-CZ3 4.41Å
94	G	97.8	Very high	96.8	Very high	13 Å²	13	46 Å²	46	13%	0.134	23%	0.228	C	C	.	.	S	Bend	trans	67.1	-156.5	-179.4	0	0	0	0	0	112.9	H119	G94-H119 WeakPolarHBondContact CA-O 3.49Å
95	L	98.3	Very high	96.9	Very high	27 Å²	27	45.6 Å²	45.6	14%	0.141	23%	0.23	C	C	.	.			trans	-106.7	70.1	179.8	-56.1	-176.2	0	0	0	111.3	R107 Q118 H119 E122	L95-R107 HydrophobicContact CB-CG 4.1Å; L95-Q118 HydrophobicContact CD1-CB 3.94Å; L95-H119 HydrophobicContact CB-CB 4.15Å; L95-H119 PolarHBondContact N-ND1 2.73Å; L95-H119 PolarHBondContact O-ND1 2.89Å; L95-E122 HydrophobicContact CD1-CB 4.45Å; L95-E122 HydrophobicContact CD2-CB 4.1Å; L95-E122 HydrophobicContact CD2-CG 3.76Å; L95-E122 HydrophobicContact CG-CB 3.86Å; L95-E122 HydrophobicContact CG-CG 4.11Å
96	Y	98.5	Very high	96.8	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.016	24%	0.24	C	C	.	.			trans	-67.9	127.9	178.9	177.1	-111.8	0	0	0	111	K90 Y98 W144 E146 W147	K90-Y96 HydrophobicContact CB-CD1 3.85Å; K90-Y96 HydrophobicContact CB-CE1 4.25Å; Y96-Y98 HydrophobicContact CD1-CD1 4.19Å; Y96-Y98 WeakPolarHBondContact O-CD1 3.49Å; Y96-W144 HydrophobicContact CD1-CD2 4.44Å; Y96-W144 HydrophobicContact CD1-CG 4.31Å; Y96-W144 AromaticContact CD2-CD2 3.27Å; Y96-W144 HydrophobicContact CD2-CD2 3.27Å; Y96-W144 AromaticContact CD2-CE2 3.58Å; Y96-W144 AromaticContact CD2-CE3 3.27Å; Y96-W144 HydrophobicContact CD2-CE3 3.27Å; Y96-W144 AromaticContact CD2-CG 3.87Å; Y96-W144 HydrophobicContact CD2-CG 3.87Å; Y96-W144 AromaticContact CD2-CH2 3.87Å; Y96-W144 HydrophobicContact CD2-CH2 3.87Å; Y96-W144 AromaticContact CD2-CZ2 3.89Å; Y96-W144 HydrophobicContact CD2-CZ2 3.89Å; Y96-W144 AromaticContact CD2-CZ3 3.58Å; Y96-W144 HydrophobicContact CD2-CZ3 3.58Å; Y96-W144 HydrophobicContact CE1-CB 4.27Å; Y96-W144 HydrophobicContact CE1-CG 4.19Å; Y96-W144 HydrophobicContact CE2-CB 3.9Å; Y96-W144 AromaticContact CE2-CD2 3.44Å; Y96-W144 HydrophobicContact CE2-CD2 3.44Å; Y96-W144 VanDerWaalsContact CE2-CD2 3.44Å; Y96-W144 AromaticContact CE2-CE3 3.29Å; Y96-W144 HydrophobicContact CE2-CE3 3.29Å; Y96-W144 AromaticContact CE2-CG 3.73Å; Y96-W144 HydrophobicContact CE2-CG 3.73Å; Y96-W144 AromaticContact CE2-CZ3 3.97Å; Y96-W144 HydrophobicContact CE2-CZ3 3.97Å; Y96-W144 AromaticContact CG-CD2 3.82Å; Y96-W144 HydrophobicContact CG-CD2 3.82Å; Y96-W144 AromaticContact CG-CE2 3.75Å; Y96-W144 HydrophobicContact CG-CE3 4.25Å; Y96-W144 HydrophobicContact CG-CG 4.14Å; Y96-W144 HydrophobicContact CG-CZ2 4.14Å; Y96-W144 AromaticContact CG-NE1 3.99Å; Y96-W144 AromaticContact CZ-CG 3.9Å; Y96-E146 HydrophobicContact CE1-CB 3.77Å; Y96-E146 HydrophobicContact CE1-CG 3.72Å; Y96-W147 AromaticContact CD2-CZ2 3.93Å; Y96-W147 HydrophobicContact CD2-CZ2 3.93Å; Y96-W147 HydrophobicContact CE2-CD2 4.3Å; Y96-W147 AromaticContact CE2-CE2 3.36Å; Y96-W147 AromaticContact CE2-CH2 3.97Å; Y96-W147 HydrophobicContact CE2-CH2 3.97Å; Y96-W147 AromaticContact CE2-CZ2 3.19Å; Y96-W147 HydrophobicContact CE2-CZ2 3.19Å; Y96-W147 AromaticContact CE2-NE1 3.49Å; Y96-W147 AromaticContact CZ-CD1 3.92Å; Y96-W147 AromaticContact CZ-CE2 3.59Å; Y96-W147 AromaticContact CZ-CZ2 3.94Å; Y96-W147 AromaticContact CZ-NE1 3.35Å; Y96-W147 VanDerWaalsContact CZ-NE1 3.35Å; Y96-W147 PolarHBondContact OH-N 3.23Å; Y96-W147 PolarHBondContact OH-NE1 2.89Å
97	P	98.5	Very high	96.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.266	C	S	.	.			trans	-84.6	136.1	-179.6	32.3	-33.6	0	0	0	112	V106 R107 A114 W147 F196	P97-V106 WeakPolarHBondContact CA-O 3.47Å; P97-R107 HydrophobicContact CB-CB 4.33Å; P97-A114 HydrophobicContact CB-CB 3.73Å; P97-A114 HydrophobicContact CG-CB 3.69Å; P97-W147 HydrophobicContact CG-CZ2 4.45Å; P97-W147 PolarHBondContact O-NE1 3.42Å; P97-F196 HydrophobicContact CG-CE2 4.41Å; P97-F196 HydrophobicContact CG-CZ 4.25Å
98	Y	98.6	Very high	96.8	Very high	25 Å²	25	55.1 Å²	55.1	10%	0.098	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	170.6	178.2	68.7	-84.7	0	0	0	111.2	K90 Y96 E100 V106 G109 E146	K90-Y98 HydrophobicContact CD-CD1 4.33Å; K90-Y98 HydrophobicContact CD-CD2 4.29Å; K90-Y98 HydrophobicContact CD-CE1 4.17Å; K90-Y98 HydrophobicContact CD-CE2 4.17Å; K90-Y98 HydrophobicContact CD-CG 4.4Å; Y96-Y98 HydrophobicContact CD1-CD1 4.19Å; Y96-Y98 WeakPolarHBondContact O-CD1 3.49Å; Y98-E100 HydrophobicContact CE2-CG 4.26Å; Y98-E100 VanDerWaalsContact CE2-OE1 3.23Å; Y98-E100 WeakPolarHBondContact CE2-OE1 3.44Å; Y98-E100 PolarHBondContact OH-OE1 3.34Å; Y98-V106 HydrophobicContact CD1-CB 4.07Å; Y98-V106 HydrophobicContact CD1-CG1 4.09Å; Y98-V106 HydrophobicContact CD2-CB 4.45Å; Y98-V106 HydrophobicContact CE1-CB 3.74Å; Y98-V106 HydrophobicContact CE1-CG1 3.45Å; Y98-V106 VanDerWaalsContact CE1-CG1 3.45Å; Y98-V106 HydrophobicContact CE1-CG2 4.29Å; Y98-V106 HydrophobicContact CE2-CB 4.13Å; Y98-V106 HydrophobicContact CE2-CG2 3.97Å; Y98-V106 HydrophobicContact CG-CB 4.4Å; Y98-V106 PolarHBondContact N-O 2.73Å; Y98-V106 WeakPolarHBondContact O-CA 3.39Å; Y98-V106 WeakPolarHBondContact O-CB 3.36Å; Y98-V106 PolarHBondContact O-N 3.37Å; Y98-G109 WeakPolarHBondContact O-CA 3.47Å; Y98-E146 HydrophobicContact CD2-CG 4.41Å; Y98-E146 HydrophobicContact CG-CG 4.13Å
99	F	98.3	Very high	96.8	Very high	16 Å²	16	55.1 Å²	55.1	7%	0.07	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	136.9	171.5	-67.4	-84.9	0	0	0	110.5	E103 T104 P105 G109 L110 I160 Y161 H164	F99-E103 WeakPolarHBondContact CD1-O 3.12Å; F99-T104 WeakPolarHBondContact CA-O 3.31Å; F99-P105 HydrophobicContact CD1-CB 4.08Å; F99-P105 HydrophobicContact CE1-CB 3.75Å; F99-G109 WeakPolarHBondContact CE2-O 3.33Å; F99-L110 HydrophobicContact CE2-CD2 4.07Å; F99-L110 HydrophobicContact CE2-CG 4.09Å; F99-L110 HydrophobicContact CZ-CG 4.14Å; F99-I160 HydrophobicContact CB-CD1 3.78Å; F99-I160 HydrophobicContact CD1-CD1 4.16Å; F99-I160 HydrophobicContact CD2-CD1 4.27Å; F99-I160 HydrophobicContact CD2-CG1 4.12Å; F99-I160 HydrophobicContact CD2-CG2 4.35Å; F99-I160 HydrophobicContact CG-CD1 3.82Å; F99-I160 HydrophobicContact CG-CG1 4.15Å; F99-Y161 AromaticContact CD2-CD1 3.91Å; F99-Y161 HydrophobicContact CD2-CD1 3.91Å; F99-Y161 AromaticContact CD2-CE1 3.51Å; F99-Y161 HydrophobicContact CD2-CE1 3.51Å; F99-Y161 AromaticContact CD2-CZ 3.9Å; F99-Y161 AromaticContact CE2-CD1 3.92Å; F99-Y161 HydrophobicContact CE2-CD1 3.92Å; F99-Y161 AromaticContact CE2-CE1 3.93Å; F99-Y161 HydrophobicContact CE2-CE1 3.93Å; F99-Y161 PolarHBondContact N-OH 2.84Å; F99-H164 AromaticContact CE1-CD2 3.41Å; F99-H164 VanDerWaalsContact CE1-CD2 3.41Å; F99-H164 WeakPolarHBondContact CE1-CD2 3.37Å; F99-H164 AromaticContact CE1-NE2 3.75Å; F99-H164 HydrophobicContact CE2-CB 4.4Å; F99-H164 AromaticContact CE2-CD2 3.83Å; F99-H164 HydrophobicContact CZ-CB 3.81Å; F99-H164 AromaticContact CZ-CD2 3.25Å; F99-H164 WeakPolarHBondContact CZ-CD2 3.44Å; F99-H164 AromaticContact CZ-CG 3.67Å
100	E	96.3	Very high	96.9	Very high	73 Å²	73	53 Å²	53	34%	0.341	27%	0.27	S	S	.	.			trans	-68.8	171.3	166.8	-63.6	-64.4	170.9	0	0	110.9	Y98 D102 E103 T104 V106	Y98-E100 HydrophobicContact CE2-CG 4.26Å; Y98-E100 VanDerWaalsContact CE2-OE1 3.23Å; Y98-E100 WeakPolarHBondContact CE2-OE1 3.44Å; Y98-E100 PolarHBondContact OH-OE1 3.34Å; E100-D102 WeakPolarHBondContact CB-OD1 3.24Å; E100-D102 PolarHBondContact O-N 3.14Å; E100-E103 PolarHBondContact O-N 2.96Å; E100-T104 PolarHBondContact N-O 2.75Å; E100-V106 HydrophobicContact CG-CG2 3.78Å
101	E	92.9	Very high	97.1	Very high	202 Å²	202	50.6 Å²	50.6	94%	0.944	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-27.5	-179.6	-65.9	-173.6	170.5	0	0	113.4	E103	E101-E103 PolarHBondContact O-N 3.35Å
102	D	95.3	Very high	97.2	Very high	115 Å²	115	47.4 Å²	47.4	62%	0.615	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	15.5	177.1	69.8	-6.3	0	0	0	113.7	E100 T104	E100-D102 WeakPolarHBondContact CB-OD1 3.24Å; E100-D102 PolarHBondContact O-N 3.14Å; D102-T104 PolarHBondContact O-N 3.47Å; D102-T104 WeakPolarHBondContact OD1-CB 3.44Å; D102-T104 PolarHBondContact OD1-N 3.05Å; D102-T104 PolarHBondContact OD1-OG1 3.08Å; D102-T104 PolarHBondContact OD2-OG1 2.62Å; D102-T104 VanDerWaalsContact OD2-OG1 3.13Å
103	E	95.8	Very high	97.4	Very high	90 Å²	90	49.8 Å²	49.8	42%	0.421	26%	0.256	S	S	.	.			trans	64.9	13.1	-174.2	-46.7	-160.9	172.2	0	0	114.3	F99 E100 E101 P105 I160 K163 H164	F99-E103 WeakPolarHBondContact CD1-O 3.12Å; E100-E103 PolarHBondContact O-N 2.96Å; E101-E103 PolarHBondContact O-N 3.35Å; E103-P105 WeakPolarHBondContact O-CD 3.44Å; E103-I160 HydrophobicContact CB-CD1 3.68Å; E103-I160 HydrophobicContact CG-CD1 3.53Å; E103-K163 IonicContact OE1-NZ 2.86Å; E103-K163 IonicContact OE2-NZ 3.48Å; E103-K163 PolarHBondContact OE2-NZ 3.49Å; E103-H164 IonicContact OE2-NE2 2.76Å
104	T	97.6	Very high	97.4	Very high	66 Å²	66	50.6 Å²	50.6	41%	0.405	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-68.2	125.1	176.4	-63.6	0	0	0	0	111	F99 E100 D102 V106	F99-T104 WeakPolarHBondContact CA-O 3.31Å; E100-T104 PolarHBondContact N-O 2.75Å; D102-T104 PolarHBondContact O-N 3.47Å; D102-T104 WeakPolarHBondContact OD1-CB 3.44Å; D102-T104 PolarHBondContact OD1-N 3.05Å; D102-T104 PolarHBondContact OD1-OG1 3.08Å; D102-T104 PolarHBondContact OD2-OG1 2.62Å; D102-T104 VanDerWaalsContact OD2-OG1 3.13Å; T104-V106 PolarHBondContact O-N 3.5Å
105	P	97.8	Very high	97.4	Very high	74 Å²	74	52.3 Å²	52.3	48%	0.481	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	118	179.8	28.5	-33.1	0	0	0	111.8	F99 E103	F99-P105 HydrophobicContact CD1-CB 4.08Å; F99-P105 HydrophobicContact CE1-CB 3.75Å; E103-P105 WeakPolarHBondContact O-CD 3.44Å
106	V	98.1	Very high	97.4	Very high	34 Å²	34	52.4 Å²	52.4	21%	0.206	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.3	170.3	178.3	0	0	0	0	109.1	P97 Y98 E100 T104 G108 G109	P97-V106 WeakPolarHBondContact CA-O 3.47Å; Y98-V106 HydrophobicContact CD1-CB 4.07Å; Y98-V106 HydrophobicContact CD1-CG1 4.09Å; Y98-V106 HydrophobicContact CD2-CB 4.45Å; Y98-V106 HydrophobicContact CE1-CB 3.74Å; Y98-V106 HydrophobicContact CE1-CG1 3.45Å; Y98-V106 VanDerWaalsContact CE1-CG1 3.45Å; Y98-V106 HydrophobicContact CE1-CG2 4.29Å; Y98-V106 HydrophobicContact CE2-CB 4.13Å; Y98-V106 HydrophobicContact CE2-CG2 3.97Å; Y98-V106 HydrophobicContact CG-CB 4.4Å; Y98-V106 PolarHBondContact N-O 2.73Å; Y98-V106 WeakPolarHBondContact O-CA 3.39Å; Y98-V106 WeakPolarHBondContact O-CB 3.36Å; Y98-V106 PolarHBondContact O-N 3.37Å; E100-V106 HydrophobicContact CG-CG2 3.78Å; T104-V106 PolarHBondContact O-N 3.5Å; V106-G108 PolarHBondContact O-N 2.84Å; V106-G109 PolarHBondContact O-N 3.49Å
107	R	97.3	Very high	97.4	Very high	149 Å²	149	56.5 Å²	56.5	56%	0.562	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	34.9	-173.9	-49.6	-59.4	178.3	-178.4	3.5	113.1	L95 P97 A114	L95-R107 HydrophobicContact CB-CG 4.1Å; P97-R107 HydrophobicContact CB-CB 4.33Å; R107-A114 WeakPolarHBondContact O-CB 3.29Å
108	G	95.7	Very high	97.4	Very high	27 Å²	27	62.3 Å²	62.3	28%	0.278	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-0.4	-178.8	0	0	0	0	0	114.8	V106 L110	V106-G108 PolarHBondContact O-N 2.84Å; G108-L110 PolarHBondContact O-N 3.06Å
109	G	98	Very high	97.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	71.5	-29.9	172.6	0	0	0	0	0	116	Y98 F99 V106 Y161	Y98-G109 WeakPolarHBondContact O-CA 3.47Å; F99-G109 WeakPolarHBondContact CE2-O 3.33Å; V106-G109 PolarHBondContact O-N 3.49Å; G109-Y161 WeakPolarHBondContact O-CE1 3.44Å
110	L	98.6	Very high	97.4	Very high	3 Å²	3	62 Å²	62	2%	0.016	33%	0.33	C	S	.	.	S	Bend	trans	-120.5	142.1	-174	-69.6	171.2	0	0	0	112	F99 G108 Q112 I113 A114 Y161 H164 S165 F189	F99-L110 HydrophobicContact CE2-CD2 4.07Å; F99-L110 HydrophobicContact CE2-CG 4.09Å; F99-L110 HydrophobicContact CZ-CG 4.14Å; G108-L110 PolarHBondContact O-N 3.06Å; L110-Q112 HydrophobicContact CB-CG 4.3Å; L110-Q112 PolarHBondContact O-N 3.24Å; L110-I113 HydrophobicContact CB-CB 4.47Å; L110-I113 HydrophobicContact CB-CD1 4.19Å; L110-I113 HydrophobicContact CB-CG1 4.18Å; L110-I113 HydrophobicContact CD1-CD1 3.98Å; L110-I113 PolarHBondContact O-N 3.05Å; L110-A114 PolarHBondContact O-N 3.39Å; L110-A114 VanDerWaalsContact O-N 3.07Å; L110-Y161 HydrophobicContact CD2-CD1 4.03Å; L110-H164 HydrophobicContact CD1-CB 3.89Å; L110-H164 HydrophobicContact CG-CB 4.48Å; L110-S165 WeakPolarHBondContact CD2-OG 3.22Å; L110-F189 HydrophobicContact CD2-CD2 4.34Å; L110-F189 HydrophobicContact CD2-CE2 4.45Å
111	P	98.5	Very high	97.5	Very high	6 Å²	6	62.7 Å²	62.7	4%	0.039	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.4	178.2	24.9	-33.1	0	0	0	113.4	I113 W147 F189 A193 F196	P111-I113 VanDerWaalsContact C-N 3.31Å; P111-I113 PolarHBondContact O-N 2.96Å; P111-W147 HydrophobicContact CB-CH2 4.43Å; P111-W147 HydrophobicContact CB-CZ2 4.18Å; P111-W147 HydrophobicContact CG-CZ2 4.44Å; P111-F189 HydrophobicContact CG-CD2 3.96Å; P111-F189 HydrophobicContact CG-CE2 3.84Å; P111-A193 HydrophobicContact CB-CB 4.49Å; P111-A193 HydrophobicContact CG-CB 4.01Å; P111-F196 HydrophobicContact CB-CB 4.4Å
112	Q	97.8	Very high	97.7	Very high	36 Å²	36	56.1 Å²	56.1	17%	0.168	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-10	176.2	64.3	-91.3	34.3	0	0	114.6	L110 S165 L168 S192	L110-Q112 HydrophobicContact CB-CG 4.3Å; L110-Q112 PolarHBondContact O-N 3.24Å; Q112-S165 PolarHBondContact NE2-OG 3.36Å; Q112-L168 HydrophobicContact CG-CD2 3.67Å; Q112-S192 WeakPolarHBondContact CA-OG 3.12Å; Q112-S192 VanDerWaalsContact CB-OG 3.23Å; Q112-S192 WeakPolarHBondContact CB-OG 3.4Å
113	I	97.9	Very high	97.9	Very high	86 Å²	86	50.6 Å²	50.6	44%	0.441	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-37.3	175.7	-61.8	178.8	0	0	0	110.7	L110 P111 L168	L110-I113 HydrophobicContact CB-CB 4.47Å; L110-I113 HydrophobicContact CB-CD1 4.19Å; L110-I113 HydrophobicContact CB-CG1 4.18Å; L110-I113 HydrophobicContact CD1-CD1 3.98Å; L110-I113 PolarHBondContact O-N 3.05Å; P111-I113 VanDerWaalsContact C-N 3.31Å; P111-I113 PolarHBondContact O-N 2.96Å; I113-L168 HydrophobicContact CD1-CD1 4.08Å; I113-L168 HydrophobicContact CD1-CD2 3.95Å; I113-L168 HydrophobicContact CG1-CD1 4.38Å; I113-L168 HydrophobicContact CG1-CD2 3.75Å
114	A	97.8	Very high	97.9	Very high	17 Å²	17	49 Å²	49	14%	0.14	28%	0.275	C	S	.	.	S	Bend	trans	-62.5	141.5	-174.2	0	0	0	0	0	113.3	P97 R107 L110 L116 F196	P97-A114 HydrophobicContact CB-CB 3.73Å; P97-A114 HydrophobicContact CG-CB 3.69Å; R107-A114 WeakPolarHBondContact O-CB 3.29Å; L110-A114 PolarHBondContact O-N 3.39Å; L110-A114 VanDerWaalsContact O-N 3.07Å; A114-L116 PolarHBondContact O-N 3.29Å; A114-F196 HydrophobicContact CB-CE2 3.78Å; A114-F196 HydrophobicContact CB-CZ 4.34Å
115	S	98.3	Very high	97.9	Very high	48 Å²	48	52 Å²	52	34%	0.336	28%	0.282	S	S	.	.			trans	-76.3	105.2	174.6	179.6	0	0	0	0	110.9	S117 Q118 H119	S115-S117 VanDerWaalsContact C-N 3.31Å; S115-S117 PolarHBondContact O-N 3.24Å; S115-S117 PolarHBondContact OG-OG 3.32Å; S115-Q118 PolarHBondContact O-N 3.18Å; S115-Q118 WeakPolarHBondContact OG-CG 3.4Å; S115-Q118 PolarHBondContact OG-N 3.18Å; S115-H119 WeakPolarHBondContact O-CB 3.23Å; S115-H119 PolarHBondContact O-N 2.91Å
116	L	98.4	Very high	97.8	Very high	30 Å²	30	49 Å²	49	16%	0.157	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-36.6	176.9	-177.6	59.4	0	0	0	112.5	A114 H119 L120 K195 F196 D199	A114-L116 PolarHBondContact O-N 3.29Å; L116-H119 WeakPolarHBondContact O-CB 3.27Å; L116-H119 PolarHBondContact O-N 2.97Å; L116-L120 HydrophobicContact CD1-CD1 4.26Å; L116-L120 HydrophobicContact CD1-CD2 4.36Å; L116-L120 HydrophobicContact CD1-CG 4.06Å; L116-L120 HydrophobicContact CG-CD1 4.08Å; L116-L120 HydrophobicContact CG-CG 4.31Å; L116-L120 VanDerWaalsContact O-CG 3.26Å; L116-L120 WeakPolarHBondContact O-CG 3.49Å; L116-L120 PolarHBondContact O-N 2.91Å; L116-K195 HydrophobicContact CD2-CD 4.21Å; L116-K195 HydrophobicContact CD2-CG 3.86Å; L116-F196 HydrophobicContact CB-CD2 4.49Å; L116-F196 HydrophobicContact CB-CE2 4.46Å; L116-F196 HydrophobicContact CD1-CD2 3.84Å; L116-F196 HydrophobicContact CD1-CE2 4.06Å; L116-F196 HydrophobicContact CD1-CG 4.08Å; L116-F196 HydrophobicContact CD1-CZ 4.49Å; L116-D199 HydrophobicContact CD1-CB 4.41Å; L116-D199 HydrophobicContact CD2-CB 4.1Å; L116-D199 WeakPolarHBondContact CD2-OD2 3.39Å
117	S	98.4	Very high	97.8	Very high	89 Å²	89	47.3 Å²	47.3	62%	0.622	26%	0.255	S	S	*	.	H	α-helix	trans	-65.9	-43.2	179	55.2	0	0	0	0	112.1	S115 L120 S121	S115-S117 VanDerWaalsContact C-N 3.31Å; S115-S117 PolarHBondContact O-N 3.24Å; S115-S117 PolarHBondContact OG-OG 3.32Å; S117-L120 PolarHBondContact O-N 3.13Å; S117-S121 WeakPolarHBondContact O-CB 3.36Å; S117-S121 PolarHBondContact O-N 3.16Å
118	Q	98.3	Very high	97.8	Very high	122 Å²	122	43.4 Å²	43.4	57%	0.57	25%	0.245	S	C	*	.	H	α-helix	trans	-65.8	-40.1	174.2	-68.6	178.8	-16.3	0	0	111.4	L95 S115 S121 E122	L95-Q118 HydrophobicContact CD1-CB 3.94Å; S115-Q118 PolarHBondContact O-N 3.18Å; S115-Q118 WeakPolarHBondContact OG-CG 3.4Å; S115-Q118 PolarHBondContact OG-N 3.18Å; Q118-S121 PolarHBondContact O-N 2.75Å; Q118-E122 WeakPolarHBondContact O-CB 3.23Å; Q118-E122 PolarHBondContact O-N 3.33Å
119	H	98.6	Very high	97.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-54.7	-55	174	169.8	82.7	0	0	0	111.6	L93 G94 L95 S115 L116 S121 E122 M123 W144 F196 T200	L93-H119 PolarHBondContact O-CE1 2.8Å; G94-H119 WeakPolarHBondContact CA-O 3.49Å; L95-H119 HydrophobicContact CB-CB 4.15Å; L95-H119 PolarHBondContact N-ND1 2.73Å; L95-H119 PolarHBondContact O-ND1 2.89Å; S115-H119 WeakPolarHBondContact O-CB 3.23Å; S115-H119 PolarHBondContact O-N 2.91Å; L116-H119 WeakPolarHBondContact O-CB 3.27Å; L116-H119 PolarHBondContact O-N 2.97Å; H119-S121 PolarHBondContact O-N 3.46Å; H119-E122 PolarHBondContact O-N 2.86Å; H119-M123 WeakPolarHBondContact O-CG 3.35Å; H119-M123 PolarHBondContact O-N 2.94Å; H119-M123 VanDerWaalsContact O-N 3.13Å; H119-W144 AromaticContact CE1-CH2 3.44Å; H119-W144 VanDerWaalsContact CE1-CH2 3.44Å; H119-W144 WeakPolarHBondContact CE1-CH2 3.49Å; H119-W144 AromaticContact CE1-CZ2 3.69Å; H119-W144 AromaticContact NE2-CH2 3.68Å; H119-F196 HydrophobicContact CB-CE1 4.24Å; H119-F196 HydrophobicContact CB-CE2 4.25Å; H119-F196 HydrophobicContact CB-CZ 3.58Å; H119-F196 AromaticContact CD2-CE1 3.71Å; H119-F196 AromaticContact CD2-CZ 3.93Å; H119-F196 AromaticContact CE1-CE1 3.59Å; H119-F196 AromaticContact CG-CE1 3.49Å; H119-F196 VanDerWaalsContact CG-CE1 3.49Å; H119-F196 AromaticContact CG-CZ 3.34Å; H119-F196 AromaticContact ND1-CE1 3.36Å; H119-F196 WeakPolarHBondContact ND1-CE1 3.36Å; H119-F196 AromaticContact ND1-CZ 3.49Å; H119-F196 WeakPolarHBondContact ND1-CZ 3.29Å; H119-F196 AromaticContact NE2-CE1 3.79Å; H119-T200 PolarHBondContact NE2-OG1 3Å; H119-T200 VanDerWaalsContact NE2-OG1 3.08Å
120	L	98.6	Very high	97.9	Very high	35 Å²	35	47.1 Å²	47.1	18%	0.183	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-40.8	-178.6	-63.8	174.7	0	0	0	111.8	L116 S117 E122 M123 D199 H203	L116-L120 HydrophobicContact CD1-CD1 4.26Å; L116-L120 HydrophobicContact CD1-CD2 4.36Å; L116-L120 HydrophobicContact CD1-CG 4.06Å; L116-L120 HydrophobicContact CG-CD1 4.08Å; L116-L120 HydrophobicContact CG-CG 4.31Å; L116-L120 VanDerWaalsContact O-CG 3.26Å; L116-L120 WeakPolarHBondContact O-CG 3.49Å; L116-L120 PolarHBondContact O-N 2.91Å; S117-L120 PolarHBondContact O-N 3.13Å; L120-E122 VanDerWaalsContact C-N 3.28Å; L120-E122 PolarHBondContact O-N 3.16Å; L120-M123 HydrophobicContact CD2-SD 3.62Å; L120-M123 WeakPolarHBondContact O-CB 3.37Å; L120-M123 PolarHBondContact O-N 3.07Å; L120-D199 HydrophobicContact CD1-CB 4.35Å; L120-H203 HydrophobicContact CD2-CB 3.8Å; L120-H203 PolarHBondContact O-NE2 2.82Å
121	S	97.8	Very high	97.9	Very high	87 Å²	87	47.3 Å²	47.3	61%	0.608	25%	0.254	S	S	*	.	H	α-helix	trans	-61.9	-36.1	176.7	-175.3	0	0	0	0	112.6	S117 Q118 H119	S117-S121 WeakPolarHBondContact O-CB 3.36Å; S117-S121 PolarHBondContact O-N 3.16Å; Q118-S121 PolarHBondContact O-N 2.75Å; H119-S121 PolarHBondContact O-N 3.46Å
122	E	98.1	Very high	97.8	Very high	64 Å²	64	49.6 Å²	49.6	30%	0.299	27%	0.269	S	S	.	.	H	α-helix	trans	-78.2	-23.6	-179.7	-163.3	69	-173.7	0	0	112	L95 Q118 H119 L120 Q124 K125	L95-E122 HydrophobicContact CD1-CB 4.45Å; L95-E122 HydrophobicContact CD2-CB 4.1Å; L95-E122 HydrophobicContact CD2-CG 3.76Å; L95-E122 HydrophobicContact CG-CB 3.86Å; L95-E122 HydrophobicContact CG-CG 4.11Å; Q118-E122 WeakPolarHBondContact O-CB 3.23Å; Q118-E122 PolarHBondContact O-N 3.33Å; H119-E122 PolarHBondContact O-N 2.86Å; L120-E122 VanDerWaalsContact C-N 3.28Å; L120-E122 PolarHBondContact O-N 3.16Å; E122-Q124 PolarHBondContact O-N 2.69Å; E122-K125 PolarHBondContact O-N 3.34Å; E122-K125 VanDerWaalsContact O-N 3.17Å; E122-K125 VanDerWaalsContact OE1-CD 3.26Å; E122-K125 WeakPolarHBondContact OE1-CD 3.38Å; E122-K125 IonicContact OE1-NZ 2.78Å; E122-K125 PolarHBondContact OE1-NZ 2.98Å; E122-K125 WeakPolarHBondContact OE2-CE 3.42Å; E122-K125 IonicContact OE2-NZ 2.78Å; E122-K125 PolarHBondContact OE2-NZ 3.3Å
123	M	98	Very high	97.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-55.5	-36.1	178.2	-72.3	176.9	66.7	0	0	112.6	L93 H119 L120 K125 G126 V127 T200 H203 A204	L93-M123 HydrophobicContact CD1-CB 4.31Å; L93-M123 HydrophobicContact CD1-CE 3.79Å; L93-M123 HydrophobicContact CD1-CG 4.27Å; L93-M123 HydrophobicContact CD2-CE 4.18Å; L93-M123 HydrophobicContact CG-CE 3.93Å; L93-M123 HydrophobicContact CG-CG 4.3Å; H119-M123 WeakPolarHBondContact O-CG 3.35Å; H119-M123 PolarHBondContact O-N 2.94Å; H119-M123 VanDerWaalsContact O-N 3.13Å; L120-M123 HydrophobicContact CD2-SD 3.62Å; L120-M123 WeakPolarHBondContact O-CB 3.37Å; L120-M123 PolarHBondContact O-N 3.07Å; M123-K125 PolarHBondContact O-N 2.78Å; M123-G126 PolarHBondContact O-N 2.76Å; M123-G126 VanDerWaalsContact O-N 3.15Å; M123-V127 WeakPolarHBondContact O-CG2 3.48Å; M123-V127 PolarHBondContact O-N 3.03Å; M123-T200 HydrophobicContact CE-CG2 3.61Å; M123-T200 WeakPolarHBondContact CE-O 3.33Å; M123-T200 HydrophobicContact SD-CG2 3.88Å; M123-H203 HydrophobicContact CE-CB 4.43Å; M123-H203 HydrophobicContact SD-CB 4.36Å; M123-A204 HydrophobicContact CE-CB 3.95Å
124	Q	97	Very high	97.7	Very high	55 Å²	55	55.4 Å²	55.4	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-52.3	-43.7	-180	-174.9	67.3	70.7	0	0	111.8	E122 V127 D128	E122-Q124 PolarHBondContact O-N 2.69Å; Q124-V127 PolarHBondContact O-N 3.41Å; Q124-D128 WeakPolarHBondContact CG-OD2 3.4Å; Q124-D128 PolarHBondContact NE2-OD1 2.98Å; Q124-D128 PolarHBondContact NE2-OD2 3.23Å; Q124-D128 WeakPolarHBondContact O-CB 3.44Å; Q124-D128 PolarHBondContact O-N 2.84Å
125	K	97.1	Very high	97.6	Very high	129 Å²	129	60 Å²	60	56%	0.561	31%	0.313	S	S	*	.	H	α-helix	trans	-63.8	-45.4	-179.5	-66	175.8	-173.6	159.9	0	112.1	E122 M123 K129	E122-K125 PolarHBondContact O-N 3.34Å; E122-K125 VanDerWaalsContact O-N 3.17Å; E122-K125 VanDerWaalsContact OE1-CD 3.26Å; E122-K125 WeakPolarHBondContact OE1-CD 3.38Å; E122-K125 IonicContact OE1-NZ 2.78Å; E122-K125 PolarHBondContact OE1-NZ 2.98Å; E122-K125 WeakPolarHBondContact OE2-CE 3.42Å; E122-K125 IonicContact OE2-NZ 2.78Å; E122-K125 PolarHBondContact OE2-NZ 3.3Å; M123-K125 PolarHBondContact O-N 2.78Å; K125-K129 WeakPolarHBondContact O-CB 3.13Å; K125-K129 PolarHBondContact O-N 3.48Å
126	G	96.3	Very high	97.5	Very high	11 Å²	11	59 Å²	59	11%	0.113	31%	0.307	C	S	.	.	H	α-helix	trans	-62.5	-48.7	177.3	0	0	0	0	0	111.4	M123 D128 K129 Y130	M123-G126 PolarHBondContact O-N 2.76Å; M123-G126 VanDerWaalsContact O-N 3.15Å; G126-D128 PolarHBondContact O-N 2.96Å; G126-K129 PolarHBondContact O-N 3.4Å; G126-Y130 WeakPolarHBondContact O-CD2 3.38Å; G126-Y130 PolarHBondContact O-N 3.4Å; G126-Y130 VanDerWaalsContact O-N 3.08Å
127	V	98	Very high	97.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.6	-41.8	-179.9	176.9	0	0	0	0	111.8	F88 L93 M123 Q124 I131 L207 R208 W213	F88-V127 HydrophobicContact CZ-CG2 4.49Å; L93-V127 HydrophobicContact CD1-CG2 3.57Å; M123-V127 WeakPolarHBondContact O-CG2 3.48Å; M123-V127 PolarHBondContact O-N 3.03Å; Q124-V127 PolarHBondContact O-N 3.41Å; V127-I131 CarbonylContact O-C 3.37Å; V127-I131 WeakPolarHBondContact O-CA 3.36Å; V127-I131 PolarHBondContact O-N 3.2Å; V127-L207 HydrophobicContact CB-CD1 4.14Å; V127-L207 HydrophobicContact CG1-CB 4.08Å; V127-L207 HydrophobicContact CG1-CD1 4.37Å; V127-L207 HydrophobicContact CG2-CD1 3.97Å; V127-R208 HydrophobicContact CG1-CG 3.53Å; V127-W213 HydrophobicContact CG2-CH2 4.32Å
128	D	97.8	Very high	97.3	Very high	66 Å²	66	57.1 Å²	57.1	35%	0.353	29%	0.294	S	S	.	.	H	α-helix	trans	-69.3	-33.3	177.2	-69.2	-19.8	0	0	0	112.9	Q124 G126 P132 R208	Q124-D128 WeakPolarHBondContact CG-OD2 3.4Å; Q124-D128 PolarHBondContact NE2-OD1 2.98Å; Q124-D128 PolarHBondContact NE2-OD2 3.23Å; Q124-D128 WeakPolarHBondContact O-CB 3.44Å; Q124-D128 PolarHBondContact O-N 2.84Å; G126-D128 PolarHBondContact O-N 2.96Å; D128-P132 VanDerWaalsContact O-CA 3.32Å; D128-P132 WeakPolarHBondContact O-CA 3.25Å; D128-P132 WeakPolarHBondContact O-CB 3.41Å; D128-R208 IonicContact OD1-CZ 3.61Å; D128-R208 IonicContact OD1-NH1 3.58Å; D128-R208 IonicContact OD1-NH2 2.71Å; D128-R208 PolarHBondContact OD1-NH2 2.82Å
129	K	97.5	Very high	97.3	Very high	98 Å²	98	51.3 Å²	51.3	43%	0.426	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-53.8	173.6	178.6	-178.4	175.7	-170.6	0	110.9	E78 V81 K125 G126	E78-K129 IonicContact OE1-NZ 2.84Å; E78-K129 PolarHBondContact OE1-NZ 3.25Å; V81-K129 WeakPolarHBondContact CB-O 3.23Å; V81-K129 HydrophobicContact CG1-CG 4.17Å; V81-K129 WeakPolarHBondContact CG1-O 3.43Å; K125-K129 WeakPolarHBondContact O-CB 3.13Å; K125-K129 PolarHBondContact O-N 3.48Å; G126-K129 PolarHBondContact O-N 3.4Å
130	Y	98	Very high	97.3	Very high	8 Å²	8	51.3 Å²	51.3	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-87	-35.4	-170.1	-67.5	-75.9	0	0	0	113.9	E78 V81 R82 T86 F88 R92 G126 P132	E78-Y130 WeakPolarHBondContact CG-OH 3.34Å; E78-Y130 WeakPolarHBondContact O-CE1 3.46Å; E78-Y130 PolarHBondContact O-OH 2.94Å; V81-Y130 HydrophobicContact CG1-CD1 3.8Å; V81-Y130 HydrophobicContact CG1-CE1 4.11Å; R82-Y130 WeakPolarHBondContact CA-O 3.33Å; R82-Y130 PolarHBondContact N-O 3.29Å; T86-Y130 HydrophobicContact CG2-CG 4.18Å; F88-Y130 HydrophobicContact CD1-CD2 4.24Å; F88-Y130 AromaticContact CE1-CD2 3.78Å; F88-Y130 HydrophobicContact CE1-CD2 3.78Å; F88-Y130 HydrophobicContact CE1-CG 4.25Å; R92-Y130 HydrophobicContact CB-CE2 3.98Å; R92-Y130 HydrophobicContact CG-CE2 4.26Å; G126-Y130 WeakPolarHBondContact O-CD2 3.38Å; G126-Y130 PolarHBondContact O-N 3.4Å; G126-Y130 VanDerWaalsContact O-N 3.08Å; Y130-P132 VanDerWaalsContact C-CD 3.45Å; Y130-P132 WeakPolarHBondContact O-CD 3.4Å
131	I	97.9	Very high	97.3	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	26%	0.258	C	S	.	.			trans	-124.1	66.5	-178.6	-48.1	175.8	0	0	0	108.6	T86 F88 V127 N133 A136 A140 R208 W213	T86-I131 HydrophobicContact CG2-CD1 4.42Å; T86-I131 HydrophobicContact CG2-CG1 4.23Å; F88-I131 HydrophobicContact CE2-CD1 4.05Å; F88-I131 HydrophobicContact CZ-CD1 3.99Å; F88-I131 HydrophobicContact CZ-CG1 4.29Å; V127-I131 CarbonylContact O-C 3.37Å; V127-I131 WeakPolarHBondContact O-CA 3.36Å; V127-I131 PolarHBondContact O-N 3.2Å; I131-N133 VanDerWaalsContact C-N 3.29Å; I131-N133 PolarHBondContact O-N 3.48Å; I131-A136 HydrophobicContact CG2-CB 3.76Å; I131-A140 HydrophobicContact CD1-CB 4.18Å; I131-R208 HydrophobicContact CB-CG 4.44Å; I131-R208 HydrophobicContact CG2-CG 4.17Å; I131-R208 PolarHBondContact O-NE 3.21Å; I131-R208 PolarHBondContact O-NH2 2.73Å; I131-W213 HydrophobicContact CD1-CH2 4.38Å; I131-W213 HydrophobicContact CD1-CZ2 4.32Å
132	P	97.1	Very high	97.4	Very high	54 Å²	54	45.5 Å²	45.5	35%	0.351	23%	0.229	S	C	.	.			trans	-65.3	-30.4	-172	23.7	-34	0	0	0	113.7	R82 D128 Y130 R134	R82-P132 HydrophobicContact CG-CG 3.45Å; R82-P132 VanDerWaalsContact CG-CG 3.45Å; D128-P132 VanDerWaalsContact O-CA 3.32Å; D128-P132 WeakPolarHBondContact O-CA 3.25Å; D128-P132 WeakPolarHBondContact O-CB 3.41Å; Y130-P132 VanDerWaalsContact C-CD 3.45Å; Y130-P132 WeakPolarHBondContact O-CD 3.4Å; P132-R134 PolarHBondContact O-N 2.97Å
133	N	97.1	Very high	97.4	Very high	94 Å²	94	43 Å²	43	50%	0.503	22%	0.217	S	C	.	.			trans	-77.6	119.1	174.8	-179	7.5	0	0	0	110	I131 D135 A136	I131-N133 VanDerWaalsContact C-N 3.29Å; I131-N133 PolarHBondContact O-N 3.48Å; N133-D135 VanDerWaalsContact C-N 3.27Å; N133-D135 PolarHBondContact O-N 3.35Å; N133-D135 PolarHBondContact OD1-N 2.89Å; N133-A136 HydrophobicContact CB-CB 4.2Å; N133-A136 VanDerWaalsContact O-CB 3.24Å; N133-A136 WeakPolarHBondContact O-CB 3.38Å; N133-A136 PolarHBondContact O-N 2.92Å
134	R	95.6	Very high	97.4	Very high	150 Å²	150	43.4 Å²	43.4	57%	0.566	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.4	178.1	-77.4	-174.4	158.4	-148.3	-6.2	113.5	P132 A136	P132-R134 PolarHBondContact O-N 2.97Å; R134-A136 VanDerWaalsContact C-N 3.3Å
135	D	95.4	Very high	97.5	Very high	115 Å²	115	44.3 Å²	44.3	62%	0.615	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	5.3	-179.6	-59.4	-44.9	0	0	0	112.6	N133 V137	N133-D135 VanDerWaalsContact C-N 3.27Å; N133-D135 PolarHBondContact O-N 3.35Å; N133-D135 PolarHBondContact OD1-N 2.89Å; D135-V137 PolarHBondContact O-N 3.32Å
136	A	95.8	Very high	97.5	Very high	25 Å²	25	40.4 Å²	40.4	21%	0.207	21%	0.207	C	C	.	.			trans	-55.9	132.9	177.6	0	0	0	0	0	110.9	I131 N133 R134 N210 N211	I131-A136 HydrophobicContact CG2-CB 3.76Å; N133-A136 HydrophobicContact CB-CB 4.2Å; N133-A136 VanDerWaalsContact O-CB 3.24Å; N133-A136 WeakPolarHBondContact O-CB 3.38Å; N133-A136 PolarHBondContact O-N 2.92Å; R134-A136 VanDerWaalsContact C-N 3.3Å; A136-N210 WeakPolarHBondContact O-CB 2.94Å; A136-N211 PolarHBondContact O-OD1 2.61Å; A136-N211 VanDerWaalsContact O-OD1 3.1Å
137	V	96.4	Very high	97.6	Very high	78 Å²	78	40 Å²	40	47%	0.473	20%	0.202	S	C	.	.			trans	-103.9	130.1	171.7	176.1	0	0	0	0	107.4	L40 D135 N210	L40-V137 HydrophobicContact CD2-CG1 3.75Å; D135-V137 PolarHBondContact O-N 3.32Å; V137-N210 HydrophobicContact CG2-CB 4.09Å
138	G	97.4	Very high	97.6	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.1	-174.8	-178.3	0	0	0	0	0	113.2	N84 N211 L212	N84-G138 CarbonylContact O-C 3.55Å; N84-G138 WeakPolarHBondContact O-CA 3.36Å; G138-N211 CarbonylContact O-C 2.98Å; G138-N211 WeakPolarHBondContact O-CA 3.16Å; G138-N211 PolarHBondContact O-ND2 2.97Å; G138-L212 PolarHBondContact O-N 3.05Å
139	L	98.8	Very high	97.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.2	177.4	-55.3	179.6	0	0	0	109.6	L40 L47 I72 N84 L85 T86 L212 F259 F300 I335	L40-L139 HydrophobicContact CD1-CD2 3.73Å; L40-L139 HydrophobicContact CD1-CG 4.12Å; L47-L139 HydrophobicContact CD2-CD1 4.16Å; I72-L139 HydrophobicContact CD1-CD1 4.33Å; I72-L139 HydrophobicContact CD1-CG 4.4Å; N84-L139 PolarHBondContact O-N 3.11Å; L85-L139 WeakPolarHBondContact CA-O 3.43Å; L85-L139 HydrophobicContact CB-CB 4.32Å; L85-L139 HydrophobicContact CD1-CB 3.46Å; L85-L139 VanDerWaalsContact CD1-CB 3.46Å; L85-L139 HydrophobicContact CD1-CD1 4.06Å; L85-L139 HydrophobicContact CD1-CG 4.39Å; L85-L139 HydrophobicContact CG-CB 4.49Å; T86-L139 PolarHBondContact N-O 3.46Å; L139-L212 HydrophobicContact CD2-CB 4.03Å; L139-L212 HydrophobicContact CD2-CD1 4.03Å; L139-F259 HydrophobicContact CD2-CE1 4.47Å; L139-F300 HydrophobicContact CD1-CD1 4.01Å; L139-F300 HydrophobicContact CD1-CE1 4.29Å; L139-F300 HydrophobicContact CD1-CG 4.29Å; L139-F300 HydrophobicContact CD2-CD1 4.18Å; L139-F300 HydrophobicContact CD2-CD2 3.94Å; L139-F300 HydrophobicContact CD2-CE1 3.92Å; L139-F300 HydrophobicContact CD2-CE2 3.63Å; L139-F300 HydrophobicContact CD2-CG 4.21Å; L139-F300 HydrophobicContact CD2-CZ 3.63Å; L139-I335 HydrophobicContact CD1-CD1 3.99Å; L139-I335 HydrophobicContact CD1-CG1 4.4Å
140	A	98.4	Very high	97.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	105.8	176.8	0	0	0	0	0	109.2	T86 F88 I131 N211 L212 W213 G214	T86-A140 WeakPolarHBondContact O-CA 3.48Å; F88-A140 HydrophobicContact CE2-CB 4.37Å; I131-A140 HydrophobicContact CD1-CB 4.18Å; A140-N211 HydrophobicContact CB-CB 4.07Å; A140-L212 PolarHBondContact N-O 2.82Å; A140-W213 HydrophobicContact CB-CD2 3.52Å; A140-W213 HydrophobicContact CB-CE3 3.46Å; A140-W213 VanDerWaalsContact CB-CE3 3.46Å; A140-W213 HydrophobicContact CB-CG 4.23Å; A140-W213 HydrophobicContact CB-CH2 3.72Å; A140-W213 HydrophobicContact CB-CZ2 3.75Å; A140-W213 HydrophobicContact CB-CZ3 3.58Å; A140-W213 WeakPolarHBondContact O-CA 3.42Å; A140-G214 PolarHBondContact O-N 3.45Å
141	V	98.7	Very high	97.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.6	-168.7	-174.4	0	0	0	0	109.2	L85 T86 M87 F88 F259 Y302	L85-V141 HydrophobicContact CD1-CG2 3.75Å; T86-V141 PolarHBondContact O-N 3.1Å; M87-V141 CarbonylContact C-O 3.54Å; M87-V141 WeakPolarHBondContact CA-O 3.45Å; F88-V141 PolarHBondContact N-O 2.99Å; V141-F259 HydrophobicContact CG1-CD2 4.48Å; V141-F259 HydrophobicContact CG1-CG 4.33Å; V141-F259 HydrophobicContact CG2-CD1 3.85Å; V141-F259 HydrophobicContact CG2-CD2 4.36Å; V141-F259 HydrophobicContact CG2-CE1 3.62Å; V141-F259 HydrophobicContact CG2-CE2 4.17Å; V141-F259 HydrophobicContact CG2-CG 4.21Å; V141-F259 HydrophobicContact CG2-CZ 3.8Å; V141-Y302 HydrophobicContact CG1-CE2 4.15Å; V141-Y302 HydrophobicContact CG2-CE2 4.24Å
142	I	98.8	Very high	97.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	113.5	175.3	-52.4	175.5	0	0	0	107.9	L93 W144 T200 W213 G214 F215 Y216	L93-I142 HydrophobicContact CD2-CB 4.5Å; L93-I142 HydrophobicContact CD2-CD1 3.79Å; L93-I142 HydrophobicContact CD2-CG1 3.7Å; L93-I142 HydrophobicContact CD2-CG2 4.13Å; I142-W144 HydrophobicContact CG2-CB 4.44Å; I142-W144 HydrophobicContact CG2-CD2 3.62Å; I142-W144 HydrophobicContact CG2-CE3 4.24Å; I142-W144 HydrophobicContact CG2-CG 3.69Å; I142-W144 HydrophobicContact CG2-CZ2 4.23Å; I142-T200 HydrophobicContact CD1-CG2 4.21Å; I142-W213 HydrophobicContact CD1-CE3 4.25Å; I142-W213 HydrophobicContact CG1-CE3 4.14Å; I142-W213 HydrophobicContact CG1-CZ3 4.24Å; I142-G214 PolarHBondContact N-O 2.9Å; I142-F215 HydrophobicContact CB-CD1 3.69Å; I142-F215 HydrophobicContact CB-CE1 3.86Å; I142-F215 HydrophobicContact CB-CG 4.25Å; I142-F215 HydrophobicContact CD1-CD1 4.47Å; I142-F215 HydrophobicContact CD1-CE1 3.96Å; I142-F215 HydrophobicContact CD1-CE2 4.21Å; I142-F215 HydrophobicContact CD1-CZ 3.83Å; I142-F215 HydrophobicContact CG2-CD1 3.7Å; I142-F215 HydrophobicContact CG2-CE1 3.55Å; I142-F215 HydrophobicContact CG2-CZ 4.45Å; I142-F215 CarbonylContact O-C 3.39Å; I142-F215 VanDerWaalsContact O-CA 3.31Å; I142-F215 WeakPolarHBondContact O-CA 3.38Å; I142-Y216 PolarHBondContact O-N 3.32Å
143	D	98.4	Very high	97.8	Very high	11 Å²	11	35 Å²	35	6%	0.059	17%	0.174	C	C	.	.			trans	-103	81.2	-179.2	-173.7	22.2	0	0	0	111.3	M87 F88 Y89 E145 Y216	M87-D143 HydrophobicContact CE-CB 3.52Å; M87-D143 WeakPolarHBondContact CE-OD2 3.43Å; M87-D143 HydrophobicContact CG-CB 4.13Å; F88-D143 PolarHBondContact O-N 3.03Å; Y89-D143 HydrophobicContact CD1-CB 4.18Å; Y89-D143 WeakPolarHBondContact CD1-OD2 3.25Å; Y89-D143 HydrophobicContact CE1-CB 4.47Å; Y89-D143 WeakPolarHBondContact CE1-OD2 3.25Å; D143-E145 WeakPolarHBondContact OD1-CG 3.37Å; D143-Y216 WeakPolarHBondContact OD1-CD1 3.14Å
144	W	98.2	Very high	97.9	Very high	10 Å²	10	30.6 Å²	30.6	4%	0.038	15%	0.15	C	C	.	.			trans	-112.1	95.6	179.8	-73.5	-1	0	0	0	110.2	L93 Y96 H119 I142 F196 T200 F215	L93-W144 WeakPolarHBondContact O-CZ2 3.45Å; Y96-W144 HydrophobicContact CD1-CD2 4.44Å; Y96-W144 HydrophobicContact CD1-CG 4.31Å; Y96-W144 AromaticContact CD2-CD2 3.27Å; Y96-W144 HydrophobicContact CD2-CD2 3.27Å; Y96-W144 AromaticContact CD2-CE2 3.58Å; Y96-W144 AromaticContact CD2-CE3 3.27Å; Y96-W144 HydrophobicContact CD2-CE3 3.27Å; Y96-W144 AromaticContact CD2-CG 3.87Å; Y96-W144 HydrophobicContact CD2-CG 3.87Å; Y96-W144 AromaticContact CD2-CH2 3.87Å; Y96-W144 HydrophobicContact CD2-CH2 3.87Å; Y96-W144 AromaticContact CD2-CZ2 3.89Å; Y96-W144 HydrophobicContact CD2-CZ2 3.89Å; Y96-W144 AromaticContact CD2-CZ3 3.58Å; Y96-W144 HydrophobicContact CD2-CZ3 3.58Å; Y96-W144 HydrophobicContact CE1-CB 4.27Å; Y96-W144 HydrophobicContact CE1-CG 4.19Å; Y96-W144 HydrophobicContact CE2-CB 3.9Å; Y96-W144 AromaticContact CE2-CD2 3.44Å; Y96-W144 HydrophobicContact CE2-CD2 3.44Å; Y96-W144 VanDerWaalsContact CE2-CD2 3.44Å; Y96-W144 AromaticContact CE2-CE3 3.29Å; Y96-W144 HydrophobicContact CE2-CE3 3.29Å; Y96-W144 AromaticContact CE2-CG 3.73Å; Y96-W144 HydrophobicContact CE2-CG 3.73Å; Y96-W144 AromaticContact CE2-CZ3 3.97Å; Y96-W144 HydrophobicContact CE2-CZ3 3.97Å; Y96-W144 AromaticContact CG-CD2 3.82Å; Y96-W144 HydrophobicContact CG-CD2 3.82Å; Y96-W144 AromaticContact CG-CE2 3.75Å; Y96-W144 HydrophobicContact CG-CE3 4.25Å; Y96-W144 HydrophobicContact CG-CG 4.14Å; Y96-W144 HydrophobicContact CG-CZ2 4.14Å; Y96-W144 AromaticContact CG-NE1 3.99Å; Y96-W144 AromaticContact CZ-CG 3.9Å; H119-W144 AromaticContact CE1-CH2 3.44Å; H119-W144 VanDerWaalsContact CE1-CH2 3.44Å; H119-W144 WeakPolarHBondContact CE1-CH2 3.49Å; H119-W144 AromaticContact CE1-CZ2 3.69Å; H119-W144 AromaticContact NE2-CH2 3.68Å; I142-W144 HydrophobicContact CG2-CB 4.44Å; I142-W144 HydrophobicContact CG2-CD2 3.62Å; I142-W144 HydrophobicContact CG2-CE3 4.24Å; I142-W144 HydrophobicContact CG2-CG 3.69Å; I142-W144 HydrophobicContact CG2-CZ2 4.23Å; W144-F196 HydrophobicContact CH2-CD1 4.32Å; W144-F196 HydrophobicContact CH2-CE1 4.22Å; W144-F196 HydrophobicContact CZ3-CD1 4.13Å; W144-F196 HydrophobicContact CZ3-CE1 4.42Å; W144-T200 HydrophobicContact CH2-CG2 3.48Å; W144-T200 VanDerWaalsContact CH2-CG2 3.48Å; W144-T200 WeakPolarHBondContact CH2-OG1 3.46Å; W144-T200 HydrophobicContact CZ2-CG2 4.11Å; W144-T200 HydrophobicContact CZ3-CG2 4.11Å; W144-F215 HydrophobicContact CD2-CE1 4.31Å; W144-F215 AromaticContact CE3-CE1 3.78Å; W144-F215 HydrophobicContact CE3-CE1 3.78Å; W144-F215 HydrophobicContact CZ3-CE1 4.22Å
145	E	97.9	Very high	97.9	Very high	74 Å²	74	28.5 Å²	28.5	35%	0.346	14%	0.142	S	C	.	.			trans	-100.3	-9.1	-174.2	-60.7	-146	-120.5	0	0	113.9	D143 W147 R148 K158 Y216	D143-E145 WeakPolarHBondContact OD1-CG 3.37Å; E145-W147 PolarHBondContact O-N 2.89Å; E145-R148 VanDerWaalsContact C-NH1 3.3Å; E145-R148 PolarHBondContact O-NH1 3.01Å; E145-R148 IonicContact OE2-NH2 3.46Å; E145-K158 WeakPolarHBondContact O-CE 3.21Å; E145-K158 PolarHBondContact O-NZ 3.47Å; E145-Y216 HydrophobicContact CG-CD1 4.35Å; E145-Y216 HydrophobicContact CG-CE1 4.48Å; E145-Y216 WeakPolarHBondContact OE1-CE1 3.21Å
146	E	98.1	Very high	97.9	Very high	46 Å²	46	25.6 Å²	25.6	22%	0.215	14%	0.139	C	C	.	.	S	Bend	trans	-67.1	-44	-164.8	-59.9	-62.8	172.5	0	0	113.6	K90 Y96 Y98 K158 Y161	K90-E146 HydrophobicContact CD-CG 3.99Å; K90-E146 WeakPolarHBondContact CD-OE1 3.26Å; K90-E146 WeakPolarHBondContact CE-OE1 3.38Å; K90-E146 IonicContact NZ-OE1 2.75Å; K90-E146 PolarHBondContact NZ-OE1 3.45Å; Y96-E146 HydrophobicContact CE1-CB 3.77Å; Y96-E146 HydrophobicContact CE1-CG 3.72Å; Y98-E146 HydrophobicContact CD2-CG 4.41Å; Y98-E146 HydrophobicContact CG-CG 4.13Å; E146-K158 WeakPolarHBondContact O-CD 3.41Å; E146-K158 PolarHBondContact O-NZ 3.27Å; E146-Y161 WeakPolarHBondContact CB-OH 3.46Å; E146-Y161 WeakPolarHBondContact O-CE2 3.35Å
147	W	98.5	Very high	98	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.015	17%	0.169	C	C	.	.			trans	-127.8	169.6	172.6	44.2	-95.1	0	0	0	111.3	Y96 P97 P111 E145 N154 Y161 F189 A193 M197	Y96-W147 AromaticContact CD2-CZ2 3.93Å; Y96-W147 HydrophobicContact CD2-CZ2 3.93Å; Y96-W147 HydrophobicContact CE2-CD2 4.3Å; Y96-W147 AromaticContact CE2-CE2 3.36Å; Y96-W147 AromaticContact CE2-CH2 3.97Å; Y96-W147 HydrophobicContact CE2-CH2 3.97Å; Y96-W147 AromaticContact CE2-CZ2 3.19Å; Y96-W147 HydrophobicContact CE2-CZ2 3.19Å; Y96-W147 AromaticContact CE2-NE1 3.49Å; Y96-W147 AromaticContact CZ-CD1 3.92Å; Y96-W147 AromaticContact CZ-CE2 3.59Å; Y96-W147 AromaticContact CZ-CZ2 3.94Å; Y96-W147 AromaticContact CZ-NE1 3.35Å; Y96-W147 VanDerWaalsContact CZ-NE1 3.35Å; Y96-W147 PolarHBondContact OH-N 3.23Å; Y96-W147 PolarHBondContact OH-NE1 2.89Å; P97-W147 HydrophobicContact CG-CZ2 4.45Å; P97-W147 PolarHBondContact O-NE1 3.42Å; P111-W147 HydrophobicContact CB-CH2 4.43Å; P111-W147 HydrophobicContact CB-CZ2 4.18Å; P111-W147 HydrophobicContact CG-CZ2 4.44Å; E145-W147 PolarHBondContact O-N 2.89Å; W147-N154 WeakPolarHBondContact CA-OD1 3.13Å; W147-N154 WeakPolarHBondContact CB-OD1 3.46Å; W147-Y161 HydrophobicContact CB-CD1 3.91Å; W147-Y161 HydrophobicContact CB-CD2 3.9Å; W147-Y161 HydrophobicContact CB-CE1 3.98Å; W147-Y161 HydrophobicContact CB-CE2 3.99Å; W147-Y161 HydrophobicContact CB-CG 3.9Å; W147-Y161 AromaticContact CD1-CD1 3.9Å; W147-Y161 AromaticContact CD1-CE1 3.37Å; W147-Y161 AromaticContact CD1-CZ 3.78Å; W147-Y161 HydrophobicContact CG-CD1 4.18Å; W147-Y161 HydrophobicContact CG-CE1 4.01Å; W147-F189 HydrophobicContact CB-CZ 4.2Å; W147-A193 HydrophobicContact CE3-CB 4.17Å; W147-A193 HydrophobicContact CH2-CB 4.24Å; W147-A193 HydrophobicContact CZ3-CB 3.68Å; W147-M197 HydrophobicContact CH2-CG 3.84Å; W147-M197 HydrophobicContact CH2-SD 4.36Å; W147-M197 HydrophobicContact CZ3-CG 3.89Å; W147-M197 HydrophobicContact CZ3-SD 3.8Å
148	R	98.5	Very high	98	Very high	18 Å²	18	28.8 Å²	28.8	7%	0.068	16%	0.155	C	C	.	.			trans	-115.6	143.3	173.2	-64.6	-67.9	176.6	-83.9	0.4	109.3	E145 L150 R153 N154 F189	E145-R148 VanDerWaalsContact C-NH1 3.3Å; E145-R148 PolarHBondContact O-NH1 3.01Å; E145-R148 IonicContact OE2-NH2 3.46Å; R148-L150 PolarHBondContact O-N 3.2Å; R148-R153 HydrophobicContact CB-CB 3.68Å; R148-R153 HydrophobicContact CG-CB 4Å; R148-N154 PolarHBondContact N-OD1 3.42Å; R148-N154 PolarHBondContact O-ND2 3.13Å; R148-F189 WeakPolarHBondContact O-CE1 3.38Å
149	P	98.4	Very high	98.1	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.032	17%	0.168	C	C	.	.	S	Bend	trans	-67.7	-17.9	-176.1	25.5	-34.1	0	0	0	114.2	A193 M197 F218 L248 W250	P149-A193 HydrophobicContact CB-CB 4.32Å; P149-M197 HydrophobicContact CB-SD 3.77Å; P149-M197 HydrophobicContact CG-SD 3.79Å; P149-F218 HydrophobicContact CG-CE1 4.25Å; P149-F218 HydrophobicContact CG-CZ 4.23Å; P149-L248 HydrophobicContact CB-CD2 4.23Å; P149-L248 HydrophobicContact CG-CD1 4.24Å; P149-L248 HydrophobicContact CG-CD2 3.81Å; P149-W250 HydrophobicContact CB-CH2 4.35Å; P149-W250 HydrophobicContact CB-CZ2 4.03Å; P149-W250 HydrophobicContact CG-CZ2 4.42Å
150	L	98.6	Very high	98.1	Very high	11 Å²	11	32.5 Å²	32.5	6%	0.058	18%	0.175	C	C	.	.	S	Bend	trans	-96.3	124.7	171.1	-58.3	-178.8	0	0	0	109.4	R148 I152 R153 N154 E190 R244 Q247 L248	R148-L150 PolarHBondContact O-N 3.2Å; L150-I152 HydrophobicContact CB-CG2 4.5Å; L150-I152 PolarHBondContact O-N 3.37Å; L150-R153 HydrophobicContact CB-CG 4.4Å; L150-R153 PolarHBondContact O-N 2.62Å; L150-N154 PolarHBondContact O-ND2 2.77Å; L150-E190 WeakPolarHBondContact CA-OE1 3.31Å; L150-R244 HydrophobicContact CD1-CB 3.75Å; L150-R244 HydrophobicContact CD1-CG 4.22Å; L150-R244 WeakPolarHBondContact CD1-O 3.47Å; L150-Q247 HydrophobicContact CD2-CB 4.3Å; L150-L248 HydrophobicContact CD1-CD1 4.19Å; L150-L248 HydrophobicContact CD1-CD2 4.42Å; L150-L248 HydrophobicContact CD1-CG 4.09Å; L150-L248 HydrophobicContact CD2-CD2 3.78Å; L150-L248 HydrophobicContact CD2-CG 4.29Å; L150-L248 HydrophobicContact CG-CD1 4.29Å; L150-L248 HydrophobicContact CG-CD2 3.9Å; L150-L248 HydrophobicContact CG-CG 4.12Å
151	W	98.7	Very high	98.1	Very high	24 Å²	24	32.8 Å²	32.8	9%	0.091	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-48.3	-47.1	-179.4	173.7	-96.8	0	0	0	112.1	R153 N154 R162 R166 A185 Q186 F189 E190	W151-R153 PolarHBondContact O-N 3Å; W151-N154 WeakPolarHBondContact O-CB 3.44Å; W151-N154 PolarHBondContact O-N 3.35Å; W151-N154 PolarHBondContact O-ND2 3.02Å; W151-R162 HydrophobicContact CD2-CG 3.86Å; W151-R162 VanDerWaalsContact CE2-CD 3.48Å; W151-R162 HydrophobicContact CE3-CG 4Å; W151-R162 VanDerWaalsContact CH2-CA 3.42Å; W151-R162 HydrophobicContact CH2-CB 3.58Å; W151-R162 HydrophobicContact CH2-CG 3.92Å; W151-R162 WeakPolarHBondContact CH2-O 3.29Å; W151-R162 HydrophobicContact CZ2-CB 3.56Å; W151-R162 HydrophobicContact CZ2-CG 3.74Å; W151-R162 HydrophobicContact CZ3-CB 4.09Å; W151-R162 HydrophobicContact CZ3-CG 4.04Å; W151-R166 HydrophobicContact CH2-CG 4.25Å; W151-A185 HydrophobicContact CH2-CB 3.99Å; W151-A185 HydrophobicContact CZ3-CB 4.36Å; W151-Q186 HydrophobicContact CB-CB 4.46Å; W151-Q186 HydrophobicContact CB-CG 3.72Å; W151-Q186 HydrophobicContact CD2-CB 3.86Å; W151-Q186 HydrophobicContact CD2-CG 4.1Å; W151-Q186 HydrophobicContact CE3-CB 4.17Å; W151-Q186 HydrophobicContact CG-CB 4.01Å; W151-Q186 HydrophobicContact CG-CG 3.71Å; W151-F189 HydrophobicContact CE3-CB 3.96Å; W151-F189 AromaticContact CE3-CD1 3.97Å; W151-F189 HydrophobicContact CE3-CD1 3.97Å; W151-F189 HydrophobicContact CE3-CG 4.05Å; W151-F189 HydrophobicContact CZ3-CB 4.07Å; W151-F189 HydrophobicContact CZ3-CG 4.36Å; W151-E190 HydrophobicContact CB-CG 3.84Å; W151-E190 WeakPolarHBondContact CB-OE1 3.5Å; W151-E190 PolarHBondContact N-OE1 3.32Å
152	I	98.1	Very high	98.1	Very high	65 Å²	65	35.2 Å²	35.2	33%	0.333	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-62.6	-27.6	-174.9	-165.2	57.8	0	0	0	112.7	L150 N154 W155	L150-I152 HydrophobicContact CB-CG2 4.5Å; L150-I152 PolarHBondContact O-N 3.37Å; I152-N154 VanDerWaalsContact C-N 3.28Å; I152-N154 PolarHBondContact O-N 3.1Å; I152-W155 VanDerWaalsContact O-CZ3 3.25Å; I152-W155 WeakPolarHBondContact O-CZ3 3.45Å
153	R	97.9	Very high	98.1	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.015	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-81.2	-2.3	179.7	-69.2	178.4	169.1	174	-1	113.9	R148 L150 W151 W155 Y222 E241 N245	R148-R153 HydrophobicContact CB-CB 3.68Å; R148-R153 HydrophobicContact CG-CB 4Å; L150-R153 HydrophobicContact CB-CG 4.4Å; L150-R153 PolarHBondContact O-N 2.62Å; W151-R153 PolarHBondContact O-N 3Å; R153-W155 VanDerWaalsContact C-N 3.31Å; R153-W155 HydrophobicContact CB-CH2 4.26Å; R153-W155 HydrophobicContact CB-CZ3 4.35Å; R153-W155 HydrophobicContact CG-CH2 3.89Å; R153-W155 HydrophobicContact CG-CZ3 4.12Å; R153-W155 PolarHBondContact O-N 2.82Å; R153-Y222 WeakPolarHBondContact CD-OH 3.39Å; R153-Y222 HydrophobicContact CG-CE2 4.46Å; R153-Y222 VanDerWaalsContact NE-CE2 3.26Å; R153-E241 IonicContact CZ-OE2 2.82Å; R153-E241 VanDerWaalsContact CZ-OE2 3.3Å; R153-E241 IonicContact NE-OE2 3.1Å; R153-E241 PolarHBondContact NE-OE2 3.38Å; R153-E241 PolarHBondContact NH2-O 3.49Å; R153-E241 IonicContact NH2-OE2 3.1Å; R153-E241 PolarHBondContact NH2-OE2 3.18Å; R153-N245 PolarHBondContact NH1-OD1 3.14Å; R153-N245 PolarHBondContact NH2-OD1 3.46Å
154	N	98.5	Very high	98.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.			trans	-91.5	64.5	174.6	-64.8	-77	0	0	0	110.5	W147 R148 L150 W151 I152 K158 D159 R162 F189	W147-N154 WeakPolarHBondContact CA-OD1 3.13Å; W147-N154 WeakPolarHBondContact CB-OD1 3.46Å; R148-N154 PolarHBondContact N-OD1 3.42Å; R148-N154 PolarHBondContact O-ND2 3.13Å; L150-N154 PolarHBondContact O-ND2 2.77Å; W151-N154 WeakPolarHBondContact O-CB 3.44Å; W151-N154 PolarHBondContact O-N 3.35Å; W151-N154 PolarHBondContact O-ND2 3.02Å; I152-N154 VanDerWaalsContact C-N 3.28Å; I152-N154 PolarHBondContact O-N 3.1Å; N154-K158 HydrophobicContact CB-CB 4.03Å; N154-K158 CarbonylContact O-C 3.23Å; N154-D159 WeakPolarHBondContact O-CA 3.36Å; N154-R162 HydrophobicContact CB-CG 4.06Å; N154-R162 PolarHBondContact O-NE 3.33Å; N154-R162 VanDerWaalsContact O-NE 3.08Å; N154-F189 WeakPolarHBondContact ND2-CE1 3.41Å
155	W	96.5	Very high	98.1	Very high	106 Å²	106	39.4 Å²	39.4	40%	0.402	20%	0.203	S	C	.	.			trans	-104.4	173.2	176.8	52.9	59	0	0	0	112.1	I152 R153 K158 Y222	I152-W155 VanDerWaalsContact O-CZ3 3.25Å; I152-W155 WeakPolarHBondContact O-CZ3 3.45Å; R153-W155 VanDerWaalsContact C-N 3.31Å; R153-W155 HydrophobicContact CB-CH2 4.26Å; R153-W155 HydrophobicContact CB-CZ3 4.35Å; R153-W155 HydrophobicContact CG-CH2 3.89Å; R153-W155 HydrophobicContact CG-CZ3 4.12Å; R153-W155 PolarHBondContact O-N 2.82Å; W155-K158 WeakPolarHBondContact O-CB 3.3Å; W155-K158 PolarHBondContact O-N 3.06Å; W155-K158 VanDerWaalsContact O-N 3.11Å; W155-Y222 HydrophobicContact CH2-CD1 4.14Å; W155-Y222 HydrophobicContact CH2-CE1 4.03Å; W155-Y222 AromaticContact CZ2-CD1 3.72Å; W155-Y222 HydrophobicContact CZ2-CD1 3.72Å; W155-Y222 AromaticContact CZ2-CE1 3.5Å; W155-Y222 HydrophobicContact CZ2-CE1 3.5Å; W155-Y222 VanDerWaalsContact CZ2-CE1 3.5Å
156	G	96.1	Very high	98.1	Very high	54 Å²	54	40 Å²	40	56%	0.557	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	60.8	-131.3	-179.6	0	0	0	0	0	110.6	K158 D159	G156-K158 PolarHBondContact O-N 3.08Å; G156-D159 WeakPolarHBondContact O-CB 3.46Å; G156-D159 PolarHBondContact O-N 3.07Å
157	P	96.3	Very high	98.1	Very high	127 Å²	127	40.7 Å²	40.7	83%	0.825	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-57	-22.6	176.4	-25.2	34.9	0	0	0	114.1	D159 I160	P157-D159 VanDerWaalsContact C-N 3.29Å; P157-D159 PolarHBondContact O-N 3.42Å; P157-I160 WeakPolarHBondContact O-CG2 3.32Å
158	K	98.2	Very high	98.1	Very high	44 Å²	44	41.7 Å²	41.7	19%	0.191	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-82.5	-2.3	179	-55.9	-171.7	-177	-49.6	0	113.4	E145 E146 N154 W155 G156 I160 Y161	E145-K158 WeakPolarHBondContact O-CE 3.21Å; E145-K158 PolarHBondContact O-NZ 3.47Å; E146-K158 WeakPolarHBondContact O-CD 3.41Å; E146-K158 PolarHBondContact O-NZ 3.27Å; N154-K158 HydrophobicContact CB-CB 4.03Å; N154-K158 CarbonylContact O-C 3.23Å; W155-K158 WeakPolarHBondContact O-CB 3.3Å; W155-K158 PolarHBondContact O-N 3.06Å; W155-K158 VanDerWaalsContact O-N 3.11Å; G156-K158 PolarHBondContact O-N 3.08Å; K158-I160 PolarHBondContact O-N 2.95Å; K158-I160 VanDerWaalsContact O-N 3.16Å; K158-Y161 HydrophobicContact CB-CD2 4.17Å; K158-Y161 WeakPolarHBondContact O-CD2 3.48Å; K158-Y161 PolarHBondContact O-N 2.93Å
159	D	98.2	Very high	98.1	Very high	55 Å²	55	40.8 Å²	40.8	29%	0.294	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-22.6	176.6	-168.9	61.1	0	0	0	112.6	N154 G156 P157 Y161 R162 K163	N154-D159 WeakPolarHBondContact O-CA 3.36Å; G156-D159 WeakPolarHBondContact O-CB 3.46Å; G156-D159 PolarHBondContact O-N 3.07Å; P157-D159 VanDerWaalsContact C-N 3.29Å; P157-D159 PolarHBondContact O-N 3.42Å; D159-Y161 PolarHBondContact O-N 3.26Å; D159-R162 CarbonylContact O-C 3.42Å; D159-R162 WeakPolarHBondContact O-CA 3.08Å; D159-R162 WeakPolarHBondContact O-CB 3.38Å; D159-R162 PolarHBondContact O-N 3.43Å; D159-R162 IonicContact OD1-CZ 3Å; D159-R162 IonicContact OD1-NE 3.35Å; D159-R162 PolarHBondContact OD1-NE 3.03Å; D159-R162 IonicContact OD1-NH2 3.26Å; D159-R162 PolarHBondContact OD1-NH2 3.46Å; D159-K163 PolarHBondContact O-N 3.39Å
160	I	98.4	Very high	98.1	Very high	25 Å²	25	45.3 Å²	45.3	13%	0.128	22%	0.224	C	C	.	.	H	α-helix	trans	-50.2	-39.8	172.8	-171.7	165.1	0	0	0	112.7	F99 E103 P157 K158 R162 K163 H164	F99-I160 HydrophobicContact CB-CD1 3.78Å; F99-I160 HydrophobicContact CD1-CD1 4.16Å; F99-I160 HydrophobicContact CD2-CD1 4.27Å; F99-I160 HydrophobicContact CD2-CG1 4.12Å; F99-I160 HydrophobicContact CD2-CG2 4.35Å; F99-I160 HydrophobicContact CG-CD1 3.82Å; F99-I160 HydrophobicContact CG-CG1 4.15Å; E103-I160 HydrophobicContact CB-CD1 3.68Å; E103-I160 HydrophobicContact CG-CD1 3.53Å; P157-I160 WeakPolarHBondContact O-CG2 3.32Å; K158-I160 PolarHBondContact O-N 2.95Å; K158-I160 VanDerWaalsContact O-N 3.16Å; I160-R162 VanDerWaalsContact C-N 3.32Å; I160-R162 PolarHBondContact O-N 2.91Å; I160-K163 PolarHBondContact O-N 3.49Å; I160-H164 WeakPolarHBondContact CG1-CD2 3.47Å; I160-H164 PolarHBondContact O-CD2 2.96Å; I160-H164 PolarHBondContact O-N 3.47Å
161	Y	98.8	Very high	98.1	Very high	6 Å²	6	51.9 Å²	51.9	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-65.3	-36.8	177	-64.1	-80.3	0	0	0	111.7	F99 G109 L110 E146 W147 K158 D159 S165	F99-Y161 AromaticContact CD2-CD1 3.91Å; F99-Y161 HydrophobicContact CD2-CD1 3.91Å; F99-Y161 AromaticContact CD2-CE1 3.51Å; F99-Y161 HydrophobicContact CD2-CE1 3.51Å; F99-Y161 AromaticContact CD2-CZ 3.9Å; F99-Y161 AromaticContact CE2-CD1 3.92Å; F99-Y161 HydrophobicContact CE2-CD1 3.92Å; F99-Y161 AromaticContact CE2-CE1 3.93Å; F99-Y161 HydrophobicContact CE2-CE1 3.93Å; F99-Y161 PolarHBondContact N-OH 2.84Å; G109-Y161 WeakPolarHBondContact O-CE1 3.44Å; L110-Y161 HydrophobicContact CD2-CD1 4.03Å; E146-Y161 WeakPolarHBondContact CB-OH 3.46Å; E146-Y161 WeakPolarHBondContact O-CE2 3.35Å; W147-Y161 HydrophobicContact CB-CD1 3.91Å; W147-Y161 HydrophobicContact CB-CD2 3.9Å; W147-Y161 HydrophobicContact CB-CE1 3.98Å; W147-Y161 HydrophobicContact CB-CE2 3.99Å; W147-Y161 HydrophobicContact CB-CG 3.9Å; W147-Y161 AromaticContact CD1-CD1 3.9Å; W147-Y161 AromaticContact CD1-CE1 3.37Å; W147-Y161 AromaticContact CD1-CZ 3.78Å; W147-Y161 HydrophobicContact CG-CD1 4.18Å; W147-Y161 HydrophobicContact CG-CE1 4.01Å; K158-Y161 HydrophobicContact CB-CD2 4.17Å; K158-Y161 WeakPolarHBondContact O-CD2 3.48Å; K158-Y161 PolarHBondContact O-N 2.93Å; D159-Y161 PolarHBondContact O-N 3.26Å; Y161-S165 WeakPolarHBondContact O-CB 3.27Å; Y161-S165 PolarHBondContact O-N 3.01Å; Y161-S165 VanDerWaalsContact O-N 3.1Å; Y161-S165 PolarHBondContact O-OG 3.22Å
162	R	98.8	Very high	98	Very high	50 Å²	50	56.8 Å²	56.8	19%	0.189	28%	0.276	C	S	.	.	H	α-helix	trans	-73.6	-38.4	176.3	-59.1	-165.4	-62	-167.9	-1.9	112	W151 N154 D159 I160 R166	W151-R162 HydrophobicContact CD2-CG 3.86Å; W151-R162 VanDerWaalsContact CE2-CD 3.48Å; W151-R162 HydrophobicContact CE3-CG 4Å; W151-R162 VanDerWaalsContact CH2-CA 3.42Å; W151-R162 HydrophobicContact CH2-CB 3.58Å; W151-R162 HydrophobicContact CH2-CG 3.92Å; W151-R162 WeakPolarHBondContact CH2-O 3.29Å; W151-R162 HydrophobicContact CZ2-CB 3.56Å; W151-R162 HydrophobicContact CZ2-CG 3.74Å; W151-R162 HydrophobicContact CZ3-CB 4.09Å; W151-R162 HydrophobicContact CZ3-CG 4.04Å; N154-R162 HydrophobicContact CB-CG 4.06Å; N154-R162 PolarHBondContact O-NE 3.33Å; N154-R162 VanDerWaalsContact O-NE 3.08Å; D159-R162 CarbonylContact O-C 3.42Å; D159-R162 WeakPolarHBondContact O-CA 3.08Å; D159-R162 WeakPolarHBondContact O-CB 3.38Å; D159-R162 PolarHBondContact O-N 3.43Å; D159-R162 IonicContact OD1-CZ 3Å; D159-R162 IonicContact OD1-NE 3.35Å; D159-R162 PolarHBondContact OD1-NE 3.03Å; D159-R162 IonicContact OD1-NH2 3.26Å; D159-R162 PolarHBondContact OD1-NH2 3.46Å; I160-R162 VanDerWaalsContact C-N 3.32Å; I160-R162 PolarHBondContact O-N 2.91Å; R162-R166 WeakPolarHBondContact O-CG 3.29Å; R162-R166 PolarHBondContact O-N 3.09Å; R162-R166 PolarHBondContact O-NE 3.32Å; R162-R166 VanDerWaalsContact O-NE 3.08Å
163	K	98.4	Very high	97.9	Very high	73 Å²	73	55.7 Å²	55.7	32%	0.317	27%	0.271	S	S	.	.	H	α-helix	trans	-60.1	-59.5	175	176.3	-172.2	168.2	-161.3	0	110.7	E103 D159 I160 S165 R166 E167	E103-K163 IonicContact OE1-NZ 2.86Å; E103-K163 IonicContact OE2-NZ 3.48Å; E103-K163 PolarHBondContact OE2-NZ 3.49Å; D159-K163 PolarHBondContact O-N 3.39Å; I160-K163 PolarHBondContact O-N 3.49Å; K163-S165 VanDerWaalsContact C-N 3.32Å; K163-S165 PolarHBondContact O-N 2.79Å; K163-R166 WeakPolarHBondContact O-CB 3.45Å; K163-R166 PolarHBondContact O-N 3.43Å; K163-R166 VanDerWaalsContact O-N 3.1Å; K163-E167 WeakPolarHBondContact CE-OE1 3.3Å; K163-E167 WeakPolarHBondContact CG-OE1 3.49Å; K163-E167 PolarHBondContact O-N 3.02Å
164	H	98.5	Very high	97.8	Very high	36 Å²	36	60.5 Å²	60.5	17%	0.167	30%	0.303	C	S	.	.	H	α-helix	trans	-67.4	-30.6	-177.8	-70	-60.4	0	0	0	113.4	F99 E103 L110 I160 R166 E167 L168	F99-H164 AromaticContact CE1-CD2 3.41Å; F99-H164 VanDerWaalsContact CE1-CD2 3.41Å; F99-H164 WeakPolarHBondContact CE1-CD2 3.37Å; F99-H164 AromaticContact CE1-NE2 3.75Å; F99-H164 HydrophobicContact CE2-CB 4.4Å; F99-H164 AromaticContact CE2-CD2 3.83Å; F99-H164 HydrophobicContact CZ-CB 3.81Å; F99-H164 AromaticContact CZ-CD2 3.25Å; F99-H164 WeakPolarHBondContact CZ-CD2 3.44Å; F99-H164 AromaticContact CZ-CG 3.67Å; E103-H164 IonicContact OE2-NE2 2.76Å; L110-H164 HydrophobicContact CD1-CB 3.89Å; L110-H164 HydrophobicContact CG-CB 4.48Å; I160-H164 WeakPolarHBondContact CG1-CD2 3.47Å; I160-H164 PolarHBondContact O-CD2 2.96Å; I160-H164 PolarHBondContact O-N 3.47Å; H164-R166 VanDerWaalsContact C-N 3.33Å; H164-R166 PolarHBondContact O-N 2.83Å; H164-E167 IonicContact CE1-OE2 3.8Å; H164-E167 IonicContact CG-OE2 3.55Å; H164-E167 IonicContact ND1-OE2 2.69Å; H164-E167 PolarHBondContact ND1-OE2 2.88Å; H164-E167 PolarHBondContact O-N 3.49Å; H164-L168 WeakPolarHBondContact O-CB 3.4Å; H164-L168 PolarHBondContact O-N 3.45Å
165	S	98.8	Very high	97.8	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-62.1	-40.5	172.4	-63.3	0	0	0	0	111.9	L110 Q112 Y161 K163 V169	L110-S165 WeakPolarHBondContact CD2-OG 3.22Å; Q112-S165 PolarHBondContact NE2-OG 3.36Å; Y161-S165 WeakPolarHBondContact O-CB 3.27Å; Y161-S165 PolarHBondContact O-N 3.01Å; Y161-S165 VanDerWaalsContact O-N 3.1Å; Y161-S165 PolarHBondContact O-OG 3.22Å; K163-S165 VanDerWaalsContact C-N 3.32Å; K163-S165 PolarHBondContact O-N 2.79Å; S165-V169 WeakPolarHBondContact O-CG2 3.44Å; S165-V169 PolarHBondContact O-N 3.21Å
166	R	98.8	Very high	97.9	Very high	88 Å²	88	66 Å²	66	33%	0.332	34%	0.339	S	S	.	.	H	α-helix	trans	-68.5	-40.1	175.4	-73.7	177.2	-70.8	-170.5	-0.3	111.9	W151 R162 K163 H164 V169 R170 V181 A185	W151-R166 HydrophobicContact CH2-CG 4.25Å; R162-R166 WeakPolarHBondContact O-CG 3.29Å; R162-R166 PolarHBondContact O-N 3.09Å; R162-R166 PolarHBondContact O-NE 3.32Å; R162-R166 VanDerWaalsContact O-NE 3.08Å; K163-R166 WeakPolarHBondContact O-CB 3.45Å; K163-R166 PolarHBondContact O-N 3.43Å; K163-R166 VanDerWaalsContact O-N 3.1Å; H164-R166 VanDerWaalsContact C-N 3.33Å; H164-R166 PolarHBondContact O-N 2.83Å; R166-V169 PolarHBondContact O-N 3.41Å; R166-R170 WeakPolarHBondContact O-CB 3.22Å; R166-R170 PolarHBondContact O-N 2.79Å; R166-V181 HydrophobicContact CB-CG1 4.03Å; R166-V181 HydrophobicContact CG-CG1 4.33Å; R166-V181 VanDerWaalsContact O-CG1 3.31Å; R166-V181 WeakPolarHBondContact O-CG1 3.21Å; R166-A185 HydrophobicContact CB-CB 4.4Å; R166-A185 HydrophobicContact CG-CB 3.76Å
167	E	98.1	Very high	97.9	Very high	60 Å²	60	66.6 Å²	66.6	28%	0.28	34%	0.339	S	S	.	.	H	α-helix	trans	-60.9	-44.5	175.7	-70.7	168.4	-174.5	0	0	111.7	K163 H164 V169 R170 Q171	K163-E167 WeakPolarHBondContact CE-OE1 3.3Å; K163-E167 WeakPolarHBondContact CG-OE1 3.49Å; K163-E167 PolarHBondContact O-N 3.02Å; H164-E167 IonicContact CE1-OE2 3.8Å; H164-E167 IonicContact CG-OE2 3.55Å; H164-E167 IonicContact ND1-OE2 2.69Å; H164-E167 PolarHBondContact ND1-OE2 2.88Å; H164-E167 PolarHBondContact O-N 3.49Å; E167-V169 VanDerWaalsContact C-N 3.33Å; E167-V169 PolarHBondContact O-N 3.44Å; E167-R170 PolarHBondContact O-N 3.05Å; E167-R170 VanDerWaalsContact O-N 3.16Å; E167-Q171 WeakPolarHBondContact O-CG 3.19Å; E167-Q171 PolarHBondContact O-N 2.85Å
168	L	98.1	Very high	98	Very high	24 Å²	24	67.7 Å²	67.7	13%	0.126	33%	0.333	C	S	.	.	H	α-helix	trans	-57.3	-44.7	176.6	-179.5	66	0	0	0	112.1	Q112 I113 H164 K172	Q112-L168 HydrophobicContact CG-CD2 3.67Å; I113-L168 HydrophobicContact CD1-CD1 4.08Å; I113-L168 HydrophobicContact CD1-CD2 3.95Å; I113-L168 HydrophobicContact CG1-CD1 4.38Å; I113-L168 HydrophobicContact CG1-CD2 3.75Å; H164-L168 WeakPolarHBondContact O-CB 3.4Å; H164-L168 PolarHBondContact O-N 3.45Å; L168-K172 PolarHBondContact O-N 2.88Å
169	V	98.6	Very high	97.9	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-67.7	-40.4	177.4	173.3	0	0	0	0	111.2	S165 R166 E167 K172 N173 W176 V181 V184 A185	S165-V169 WeakPolarHBondContact O-CG2 3.44Å; S165-V169 PolarHBondContact O-N 3.21Å; R166-V169 PolarHBondContact O-N 3.41Å; E167-V169 VanDerWaalsContact C-N 3.33Å; E167-V169 PolarHBondContact O-N 3.44Å; V169-K172 PolarHBondContact O-N 3.44Å; V169-N173 PolarHBondContact O-N 2.86Å; V169-N173 PolarHBondContact O-ND2 2.85Å; V169-W176 HydrophobicContact CG1-CE3 4.22Å; V169-W176 HydrophobicContact CG1-CZ3 4.17Å; V169-V181 HydrophobicContact CB-CG1 4.12Å; V169-V181 HydrophobicContact CG1-CB 4.38Å; V169-V181 HydrophobicContact CG1-CG1 4.06Å; V169-V181 HydrophobicContact CG1-CG2 4.41Å; V169-V184 HydrophobicContact CG1-CB 4.15Å; V169-V184 HydrophobicContact CG1-CG1 4.04Å; V169-V184 HydrophobicContact CG2-CG1 4.06Å; V169-A185 HydrophobicContact CG2-CB 3.99Å
170	R	98.3	Very high	97.9	Very high	99 Å²	99	69.8 Å²	69.8	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-65	-39	178.5	-172.2	-178.7	-70.4	123	-10.2	112.2	R166 E167 K172 N173 P174 E178 V181	R166-R170 WeakPolarHBondContact O-CB 3.22Å; R166-R170 PolarHBondContact O-N 2.79Å; E167-R170 PolarHBondContact O-N 3.05Å; E167-R170 VanDerWaalsContact O-N 3.16Å; R170-K172 VanDerWaalsContact C-N 3.28Å; R170-K172 PolarHBondContact O-N 3.49Å; R170-N173 CarbonylContact O-C 3.57Å; R170-N173 PolarHBondContact O-N 3.05Å; R170-N173 VanDerWaalsContact O-N 3.16Å; R170-P174 WeakPolarHBondContact O-CA 3.49Å; R170-P174 VanDerWaalsContact O-N 3.15Å; R170-E178 IonicContact NH2-OE1 3.61Å; R170-V181 HydrophobicContact CB-CG1 4.42Å
171	Q	97.4	Very high	97.9	Very high	149 Å²	149	68.6 Å²	68.6	70%	0.696	35%	0.35	S	S	*	.	H	α-helix	trans	-60.7	-39.1	176	-74.9	172.9	3.8	0	0	111.8	E167	E167-Q171 WeakPolarHBondContact O-CG 3.19Å; E167-Q171 PolarHBondContact O-N 2.85Å
172	K	96.6	Very high	97.9	Very high	128 Å²	128	69.3 Å²	69.3	56%	0.557	36%	0.358	S	S	*	.	H	α-helix	trans	-76.6	-25.9	176	-63.9	175.2	-173.1	172.9	0	112.9	L168 V169 R170	L168-K172 PolarHBondContact O-N 2.88Å; V169-K172 PolarHBondContact O-N 3.44Å; R170-K172 VanDerWaalsContact C-N 3.28Å; R170-K172 PolarHBondContact O-N 3.49Å
173	N	97.2	Very high	97.9	Very high	41 Å²	41	74.5 Å²	74.5	22%	0.219	38%	0.382	C	S	.	.			trans	-136	71.6	-174.1	-53.6	-84.2	0	0	0	112.1	V169 R170 T175 W176	V169-N173 PolarHBondContact O-N 2.86Å; V169-N173 PolarHBondContact O-ND2 2.85Å; R170-N173 CarbonylContact O-C 3.57Å; R170-N173 PolarHBondContact O-N 3.05Å; R170-N173 VanDerWaalsContact O-N 3.16Å; N173-T175 PolarHBondContact O-N 3.31Å; N173-T175 VanDerWaalsContact O-N 3.13Å; N173-W176 HydrophobicContact CB-CB 4.18Å; N173-W176 HydrophobicContact CB-CD2 3.4Å; N173-W176 HydrophobicContact CB-CE3 3.76Å; N173-W176 HydrophobicContact CB-CG 3.58Å; N173-W176 HydrophobicContact CB-CZ2 4.28Å; N173-W176 HydrophobicContact CB-CZ3 4.31Å; N173-W176 PolarHBondContact O-N 3.07Å; N173-W176 VanDerWaalsContact OD1-CZ2 3.27Å; N173-W176 WeakPolarHBondContact OD1-CZ2 3.46Å
174	P	96.3	Very high	97.9	Very high	106 Å²	106	72.8 Å²	72.8	69%	0.688	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.8	-169.7	-24.5	35.7	0	0	0	115.2	R170	R170-P174 WeakPolarHBondContact O-CA 3.49Å; R170-P174 VanDerWaalsContact O-N 3.15Å
175	T	97.3	Very high	97.9	Very high	133 Å²	133	71 Å²	71	82%	0.816	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-4	-176.4	57.8	0	0	0	0	113.7	N173	N173-T175 PolarHBondContact O-N 3.31Å; N173-T175 VanDerWaalsContact O-N 3.13Å
176	W	97.9	Very high	97.9	Very high	88 Å²	88	74.6 Å²	74.6	33%	0.333	39%	0.386	S	S	.	.	S	Bend	trans	-73.7	143	-177	-77.2	13.1	0	0	0	112.4	V169 N173 Q180 V181 V184	V169-W176 HydrophobicContact CG1-CE3 4.22Å; V169-W176 HydrophobicContact CG1-CZ3 4.17Å; N173-W176 HydrophobicContact CB-CB 4.18Å; N173-W176 HydrophobicContact CB-CD2 3.4Å; N173-W176 HydrophobicContact CB-CE3 3.76Å; N173-W176 HydrophobicContact CB-CG 3.58Å; N173-W176 HydrophobicContact CB-CZ2 4.28Å; N173-W176 HydrophobicContact CB-CZ3 4.31Å; N173-W176 PolarHBondContact O-N 3.07Å; N173-W176 VanDerWaalsContact OD1-CZ2 3.27Å; N173-W176 WeakPolarHBondContact OD1-CZ2 3.46Å; W176-Q180 HydrophobicContact CD2-CG 4.05Å; W176-Q180 VanDerWaalsContact CD2-NE2 3.28Å; W176-Q180 HydrophobicContact CE3-CG 3.71Å; W176-Q180 HydrophobicContact CZ3-CG 4.16Å; W176-V181 HydrophobicContact CB-CG2 3.85Å; W176-V184 HydrophobicContact CH2-CG2 4.43Å; W176-V184 HydrophobicContact CZ3-CB 4.21Å; W176-V184 HydrophobicContact CZ3-CG1 4.32Å; W176-V184 HydrophobicContact CZ3-CG2 3.79Å
177	A	97.9	Very high	97.9	Very high	67 Å²	67	75.2 Å²	75.2	55%	0.554	40%	0.396	S	S	*	.			trans	-65.6	149.2	173.3	0	0	0	0	0	111.4	G179 Q180 V181	A177-G179 VanDerWaalsContact C-N 3.29Å; A177-G179 PolarHBondContact O-N 3.28Å; A177-Q180 WeakPolarHBondContact O-CB 3.04Å; A177-Q180 PolarHBondContact O-N 3.42Å; A177-V181 PolarHBondContact O-N 3.22Å
178	E	96.6	Very high	97.9	Very high	150 Å²	150	75.2 Å²	75.2	70%	0.701	40%	0.396	S	S	*	.	H	α-helix	trans	-57.9	-38.4	-175.2	-62.4	-157.8	136.3	0	0	113.7	R170 Q180 V181 G182	R170-E178 IonicContact NH2-OE1 3.61Å; E178-Q180 VanDerWaalsContact C-N 3.27Å; E178-Q180 PolarHBondContact O-N 3.45Å; E178-V181 PolarHBondContact O-N 2.63Å; E178-G182 PolarHBondContact O-N 3.1Å
179	G	97.4	Very high	98	Very high	53 Å²	53	74.1 Å²	74.1	55%	0.546	39%	0.39	S	S	.	.	H	α-helix	trans	-62.9	-33.9	177	0	0	0	0	0	113	A177 K183	A177-G179 VanDerWaalsContact C-N 3.29Å; A177-G179 PolarHBondContact O-N 3.28Å; G179-K183 WeakPolarHBondContact O-CG 3.39Å; G179-K183 PolarHBondContact O-N 3.08Å
180	Q	98	Very high	98	Very high	89 Å²	89	76.2 Å²	76.2	42%	0.416	40%	0.4	S	S	.	.	H	α-helix	trans	-73.9	-44.5	175.6	-175.5	176.8	-10.2	0	0	111	W176 A177 E178 G182 K183 V184	W176-Q180 HydrophobicContact CD2-CG 4.05Å; W176-Q180 VanDerWaalsContact CD2-NE2 3.28Å; W176-Q180 HydrophobicContact CE3-CG 3.71Å; W176-Q180 HydrophobicContact CZ3-CG 4.16Å; A177-Q180 WeakPolarHBondContact O-CB 3.04Å; A177-Q180 PolarHBondContact O-N 3.42Å; E178-Q180 VanDerWaalsContact C-N 3.27Å; E178-Q180 PolarHBondContact O-N 3.45Å; Q180-G182 VanDerWaalsContact C-N 3.31Å; Q180-G182 PolarHBondContact O-N 3.35Å; Q180-K183 PolarHBondContact O-N 3.03Å; Q180-V184 PolarHBondContact O-N 2.74Å; Q180-V184 VanDerWaalsContact O-N 3.08Å
181	V	98.6	Very high	98	Very high	1 Å²	1	77.1 Å²	77.1	1%	0.006	41%	0.41	C	S	.	.	H	α-helix	trans	-56.1	-46.4	174.3	173	0	0	0	0	110.8	R166 V169 R170 W176 A177 E178 K183 V184 A185	R166-V181 HydrophobicContact CB-CG1 4.03Å; R166-V181 HydrophobicContact CG-CG1 4.33Å; R166-V181 VanDerWaalsContact O-CG1 3.31Å; R166-V181 WeakPolarHBondContact O-CG1 3.21Å; V169-V181 HydrophobicContact CB-CG1 4.12Å; V169-V181 HydrophobicContact CG1-CB 4.38Å; V169-V181 HydrophobicContact CG1-CG1 4.06Å; V169-V181 HydrophobicContact CG1-CG2 4.41Å; R170-V181 HydrophobicContact CB-CG1 4.42Å; W176-V181 HydrophobicContact CB-CG2 3.85Å; A177-V181 PolarHBondContact O-N 3.22Å; E178-V181 PolarHBondContact O-N 2.63Å; V181-K183 PolarHBondContact O-N 3.1Å; V181-V184 PolarHBondContact O-N 3.22Å; V181-A185 WeakPolarHBondContact O-CB 3.11Å; V181-A185 PolarHBondContact O-N 3.19Å
182	G	98.4	Very high	98.1	Very high	20 Å²	20	71.5 Å²	71.5	21%	0.206	39%	0.387	C	S	.	.	H	α-helix	trans	-60.4	-45.2	179.2	0	0	0	0	0	113.3	E178 Q180 Q186	E178-G182 PolarHBondContact O-N 3.1Å; Q180-G182 VanDerWaalsContact C-N 3.31Å; Q180-G182 PolarHBondContact O-N 3.35Å; G182-Q186 WeakPolarHBondContact O-CB 3.32Å; G182-Q186 PolarHBondContact O-N 3.34Å
183	K	98.4	Very high	98.2	Very high	160 Å²	160	65.4 Å²	65.4	70%	0.696	36%	0.36	S	S	*	.	H	α-helix	trans	-63.8	-44.8	178.7	-74.4	175.8	-179.5	-178.6	0	112.4	G179 Q180 V181 L187	G179-K183 WeakPolarHBondContact O-CG 3.39Å; G179-K183 PolarHBondContact O-N 3.08Å; Q180-K183 PolarHBondContact O-N 3.03Å; V181-K183 PolarHBondContact O-N 3.1Å; K183-L187 PolarHBondContact O-N 3.18Å; K183-L187 VanDerWaalsContact O-N 3.1Å
184	V	98.6	Very high	98.3	Very high	36 Å²	36	67.9 Å²	67.9	22%	0.218	37%	0.369	C	S	.	.	H	α-helix	trans	-70.4	-40.3	180	174.6	0	0	0	0	111	V169 W176 Q180 V181 Q186 L187 E188	V169-V184 HydrophobicContact CG1-CB 4.15Å; V169-V184 HydrophobicContact CG1-CG1 4.04Å; V169-V184 HydrophobicContact CG2-CG1 4.06Å; W176-V184 HydrophobicContact CH2-CG2 4.43Å; W176-V184 HydrophobicContact CZ3-CB 4.21Å; W176-V184 HydrophobicContact CZ3-CG1 4.32Å; W176-V184 HydrophobicContact CZ3-CG2 3.79Å; Q180-V184 PolarHBondContact O-N 2.74Å; Q180-V184 VanDerWaalsContact O-N 3.08Å; V181-V184 PolarHBondContact O-N 3.22Å; V184-Q186 VanDerWaalsContact C-N 3.33Å; V184-Q186 PolarHBondContact O-N 3.45Å; V184-L187 PolarHBondContact O-N 2.84Å; V184-E188 HydrophobicContact CG1-CG 4.14Å; V184-E188 WeakPolarHBondContact O-CB 3.47Å; V184-E188 WeakPolarHBondContact O-CG 3.45Å; V184-E188 PolarHBondContact O-N 3.32Å
185	A	98.8	Very high	98.4	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-60.4	-41.9	175.9	0	0	0	0	0	112.3	W151 R166 V169 V181 F189	W151-A185 HydrophobicContact CH2-CB 3.99Å; W151-A185 HydrophobicContact CZ3-CB 4.36Å; R166-A185 HydrophobicContact CB-CB 4.4Å; R166-A185 HydrophobicContact CG-CB 3.76Å; V169-A185 HydrophobicContact CG2-CB 3.99Å; V181-A185 WeakPolarHBondContact O-CB 3.11Å; V181-A185 PolarHBondContact O-N 3.19Å; A185-F189 WeakPolarHBondContact O-CB 3.21Å; A185-F189 PolarHBondContact O-N 2.88Å
186	Q	98.8	Very high	98.4	Very high	75 Å²	75	62.1 Å²	62.1	35%	0.35	32%	0.322	S	S	.	.	H	α-helix	trans	-60.4	-50.5	173.5	172.3	172.1	-4.2	0	0	111.4	W151 G182 V184 F189 E190	W151-Q186 HydrophobicContact CB-CB 4.46Å; W151-Q186 HydrophobicContact CB-CG 3.72Å; W151-Q186 HydrophobicContact CD2-CB 3.86Å; W151-Q186 HydrophobicContact CD2-CG 4.1Å; W151-Q186 HydrophobicContact CE3-CB 4.17Å; W151-Q186 HydrophobicContact CG-CB 4.01Å; W151-Q186 HydrophobicContact CG-CG 3.71Å; G182-Q186 WeakPolarHBondContact O-CB 3.32Å; G182-Q186 PolarHBondContact O-N 3.34Å; V184-Q186 VanDerWaalsContact C-N 3.33Å; V184-Q186 PolarHBondContact O-N 3.45Å; Q186-F189 PolarHBondContact O-N 3.19Å; Q186-E190 HydrophobicContact CG-CG 4.41Å; Q186-E190 PolarHBondContact NE2-OE2 3.14Å; Q186-E190 WeakPolarHBondContact O-CG 3.39Å; Q186-E190 PolarHBondContact O-N 3.11Å
187	L	98.6	Very high	98.5	Very high	100 Å²	100	58.1 Å²	58.1	52%	0.524	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-49.9	-178.4	-178.7	66.7	0	0	0	111.9	K183 V184 F189 M191	K183-L187 PolarHBondContact O-N 3.18Å; K183-L187 VanDerWaalsContact O-N 3.1Å; V184-L187 PolarHBondContact O-N 2.84Å; L187-F189 VanDerWaalsContact C-N 3.34Å; L187-F189 PolarHBondContact O-N 2.94Å; L187-M191 HydrophobicContact CD1-CG 4.17Å; L187-M191 HydrophobicContact CD1-SD 3.78Å; L187-M191 HydrophobicContact CD2-SD 4.5Å; L187-M191 HydrophobicContact CG-SD 3.84Å; L187-M191 VanDerWaalsContact O-CB 3.29Å; L187-M191 WeakPolarHBondContact O-CB 3.45Å; L187-M191 VanDerWaalsContact O-CG 3.29Å; L187-M191 WeakPolarHBondContact O-CG 3.49Å; L187-M191 PolarHBondContact O-N 3.3Å
188	E	98.7	Very high	98.5	Very high	61 Å²	61	55.9 Å²	55.9	29%	0.285	29%	0.285	S	S	.	.	H	α-helix	trans	-61	-42.5	179.8	-73.3	-173.9	-174.1	0	0	111.7	V184 S192	V184-E188 HydrophobicContact CG1-CG 4.14Å; V184-E188 WeakPolarHBondContact O-CB 3.47Å; V184-E188 WeakPolarHBondContact O-CG 3.45Å; V184-E188 PolarHBondContact O-N 3.32Å; E188-S192 VanDerWaalsContact O-CB 3.23Å; E188-S192 WeakPolarHBondContact O-CB 3.45Å; E188-S192 PolarHBondContact O-N 3.21Å; E188-S192 VanDerWaalsContact O-N 3.09Å; E188-S192 PolarHBondContact O-OG 3.38Å
189	F	98.9	Very high	98.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-54.1	178.1	176.8	-92.2	0	0	0	111.7	L110 P111 W147 R148 W151 N154 A185 Q186 L187 M191 S192 A193	L110-F189 HydrophobicContact CD2-CD2 4.34Å; L110-F189 HydrophobicContact CD2-CE2 4.45Å; P111-F189 HydrophobicContact CG-CD2 3.96Å; P111-F189 HydrophobicContact CG-CE2 3.84Å; W147-F189 HydrophobicContact CB-CZ 4.2Å; R148-F189 WeakPolarHBondContact O-CE1 3.38Å; W151-F189 HydrophobicContact CE3-CB 3.96Å; W151-F189 AromaticContact CE3-CD1 3.97Å; W151-F189 HydrophobicContact CE3-CD1 3.97Å; W151-F189 HydrophobicContact CE3-CG 4.05Å; W151-F189 HydrophobicContact CZ3-CB 4.07Å; W151-F189 HydrophobicContact CZ3-CG 4.36Å; N154-F189 WeakPolarHBondContact ND2-CE1 3.41Å; A185-F189 WeakPolarHBondContact O-CB 3.21Å; A185-F189 PolarHBondContact O-N 2.88Å; Q186-F189 PolarHBondContact O-N 3.19Å; L187-F189 VanDerWaalsContact C-N 3.34Å; L187-F189 PolarHBondContact O-N 2.94Å; F189-M191 PolarHBondContact O-N 2.97Å; F189-S192 PolarHBondContact O-N 3.12Å; F189-A193 HydrophobicContact CE1-CB 4.33Å; F189-A193 HydrophobicContact CZ-CB 4.49Å; F189-A193 VanDerWaalsContact O-CB 3.22Å; F189-A193 WeakPolarHBondContact O-CB 3.14Å; F189-A193 PolarHBondContact O-N 3.01Å
190	E	98.9	Very high	98.7	Very high	44 Å²	44	47.7 Å²	47.7	21%	0.206	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-38.7	-175.6	-68.6	-174.1	147.7	0	0	111.9	L150 W151 Q186 K194	L150-E190 WeakPolarHBondContact CA-OE1 3.31Å; W151-E190 HydrophobicContact CB-CG 3.84Å; W151-E190 WeakPolarHBondContact CB-OE1 3.5Å; W151-E190 PolarHBondContact N-OE1 3.32Å; Q186-E190 HydrophobicContact CG-CG 4.41Å; Q186-E190 PolarHBondContact NE2-OE2 3.14Å; Q186-E190 WeakPolarHBondContact O-CG 3.39Å; Q186-E190 PolarHBondContact O-N 3.11Å; E190-K194 VanDerWaalsContact O-CB 3.23Å; E190-K194 WeakPolarHBondContact O-CB 3.23Å; E190-K194 PolarHBondContact O-N 3.06Å
191	M	98.8	Very high	98.7	Very high	119 Å²	119	43.4 Å²	43.4	59%	0.586	21%	0.214	S	C	*	.	H	α-helix	trans	-61.3	-46	174	-78.1	179.3	44.5	0	0	111.8	L187 F189 K195	L187-M191 HydrophobicContact CD1-CG 4.17Å; L187-M191 HydrophobicContact CD1-SD 3.78Å; L187-M191 HydrophobicContact CD2-SD 4.5Å; L187-M191 HydrophobicContact CG-SD 3.84Å; L187-M191 VanDerWaalsContact O-CB 3.29Å; L187-M191 WeakPolarHBondContact O-CB 3.45Å; L187-M191 VanDerWaalsContact O-CG 3.29Å; L187-M191 WeakPolarHBondContact O-CG 3.49Å; L187-M191 PolarHBondContact O-N 3.3Å; F189-M191 PolarHBondContact O-N 2.97Å; M191-K195 WeakPolarHBondContact O-CB 3.3Å; M191-K195 PolarHBondContact O-N 3.39Å
192	S	98.8	Very high	98.7	Very high	31 Å²	31	48.7 Å²	48.7	22%	0.217	23%	0.234	C	C	.	.	H	α-helix	trans	-71.9	-42.7	-177.7	-56.3	0	0	0	0	111.4	Q112 E188 F189 K194 K195 F196	Q112-S192 WeakPolarHBondContact CA-OG 3.12Å; Q112-S192 VanDerWaalsContact CB-OG 3.23Å; Q112-S192 WeakPolarHBondContact CB-OG 3.4Å; E188-S192 VanDerWaalsContact O-CB 3.23Å; E188-S192 WeakPolarHBondContact O-CB 3.45Å; E188-S192 PolarHBondContact O-N 3.21Å; E188-S192 VanDerWaalsContact O-N 3.09Å; E188-S192 PolarHBondContact O-OG 3.38Å; F189-S192 PolarHBondContact O-N 3.12Å; S192-K194 PolarHBondContact O-N 3.5Å; S192-K195 PolarHBondContact O-N 3.1Å; S192-F196 VanDerWaalsContact O-CB 3.29Å; S192-F196 WeakPolarHBondContact O-CB 3.41Å; S192-F196 PolarHBondContact O-N 3.11Å
193	A	98.8	Very high	98.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.6	-46.6	175.8	0	0	0	0	0	111.8	P111 W147 P149 F189 F196 M197	P111-A193 HydrophobicContact CB-CB 4.49Å; P111-A193 HydrophobicContact CG-CB 4.01Å; W147-A193 HydrophobicContact CE3-CB 4.17Å; W147-A193 HydrophobicContact CH2-CB 4.24Å; W147-A193 HydrophobicContact CZ3-CB 3.68Å; P149-A193 HydrophobicContact CB-CB 4.32Å; F189-A193 HydrophobicContact CE1-CB 4.33Å; F189-A193 HydrophobicContact CZ-CB 4.49Å; F189-A193 VanDerWaalsContact O-CB 3.22Å; F189-A193 WeakPolarHBondContact O-CB 3.14Å; F189-A193 PolarHBondContact O-N 3.01Å; A193-F196 PolarHBondContact O-N 3.45Å; A193-M197 WeakPolarHBondContact O-CG 3.39Å; A193-M197 PolarHBondContact O-N 3.44Å
194	K	98.8	Very high	98.7	Very high	92 Å²	92	42.6 Å²	42.6	40%	0.4	20%	0.202	S	C	.	.	H	α-helix	trans	-57.2	-51.9	173.4	171.8	173.4	178.7	-179.2	0	111.2	E190 S192 F196 L198 W250	E190-K194 VanDerWaalsContact O-CB 3.23Å; E190-K194 WeakPolarHBondContact O-CB 3.23Å; E190-K194 PolarHBondContact O-N 3.06Å; S192-K194 PolarHBondContact O-N 3.5Å; K194-F196 VanDerWaalsContact C-N 3.32Å; K194-F196 PolarHBondContact O-N 3.4Å; K194-L198 WeakPolarHBondContact O-CB 3.31Å; K194-L198 PolarHBondContact O-N 3.16Å; K194-W250 HydrophobicContact CB-CH2 4.34Å; K194-W250 HydrophobicContact CB-CZ2 3.92Å; K194-W250 HydrophobicContact CD-CD2 4.14Å; K194-W250 HydrophobicContact CD-CG 4.08Å; K194-W250 HydrophobicContact CG-CD2 3.77Å; K194-W250 HydrophobicContact CG-CE3 4.17Å; K194-W250 HydrophobicContact CG-CG 4.23Å; K194-W250 HydrophobicContact CG-CH2 4.3Å; K194-W250 HydrophobicContact CG-CZ2 3.9Å; K194-W250 HydrophobicContact CG-CZ3 4.42Å
195	K	98.8	Very high	98.7	Very high	115 Å²	115	43 Å²	43	50%	0.5	20%	0.201	S	C	.	.	H	α-helix	trans	-60	-44	-178.9	-177.5	170.8	174.1	53.1	0	111.4	L116 M191 S192 L198 D199	L116-K195 HydrophobicContact CD2-CD 4.21Å; L116-K195 HydrophobicContact CD2-CG 3.86Å; M191-K195 WeakPolarHBondContact O-CB 3.3Å; M191-K195 PolarHBondContact O-N 3.39Å; S192-K195 PolarHBondContact O-N 3.1Å; K195-L198 PolarHBondContact O-N 2.83Å; K195-D199 IonicContact NZ-OD2 3.19Å; K195-D199 PolarHBondContact NZ-OD2 2.7Å; K195-D199 WeakPolarHBondContact O-CB 3.43Å; K195-D199 PolarHBondContact O-N 2.81Å
196	F	98.8	Very high	98.6	Very high	3 Å²	3	50 Å²	50	1%	0.013	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-53.6	-178.7	-149.5	-81.4	0	0	0	111.3	P97 P111 A114 L116 H119 W144 S192 A193 K194 L198 T200	P97-F196 HydrophobicContact CG-CE2 4.41Å; P97-F196 HydrophobicContact CG-CZ 4.25Å; P111-F196 HydrophobicContact CB-CB 4.4Å; A114-F196 HydrophobicContact CB-CE2 3.78Å; A114-F196 HydrophobicContact CB-CZ 4.34Å; L116-F196 HydrophobicContact CB-CD2 4.49Å; L116-F196 HydrophobicContact CB-CE2 4.46Å; L116-F196 HydrophobicContact CD1-CD2 3.84Å; L116-F196 HydrophobicContact CD1-CE2 4.06Å; L116-F196 HydrophobicContact CD1-CG 4.08Å; L116-F196 HydrophobicContact CD1-CZ 4.49Å; H119-F196 HydrophobicContact CB-CE1 4.24Å; H119-F196 HydrophobicContact CB-CE2 4.25Å; H119-F196 HydrophobicContact CB-CZ 3.58Å; H119-F196 AromaticContact CD2-CE1 3.71Å; H119-F196 AromaticContact CD2-CZ 3.93Å; H119-F196 AromaticContact CE1-CE1 3.59Å; H119-F196 AromaticContact CG-CE1 3.49Å; H119-F196 VanDerWaalsContact CG-CE1 3.49Å; H119-F196 AromaticContact CG-CZ 3.34Å; H119-F196 AromaticContact ND1-CE1 3.36Å; H119-F196 WeakPolarHBondContact ND1-CE1 3.36Å; H119-F196 AromaticContact ND1-CZ 3.49Å; H119-F196 WeakPolarHBondContact ND1-CZ 3.29Å; H119-F196 AromaticContact NE2-CE1 3.79Å; W144-F196 HydrophobicContact CH2-CD1 4.32Å; W144-F196 HydrophobicContact CH2-CE1 4.22Å; W144-F196 HydrophobicContact CZ3-CD1 4.13Å; W144-F196 HydrophobicContact CZ3-CE1 4.42Å; S192-F196 VanDerWaalsContact O-CB 3.29Å; S192-F196 WeakPolarHBondContact O-CB 3.41Å; S192-F196 PolarHBondContact O-N 3.11Å; A193-F196 PolarHBondContact O-N 3.45Å; K194-F196 VanDerWaalsContact C-N 3.32Å; K194-F196 PolarHBondContact O-N 3.4Å; F196-L198 PolarHBondContact O-N 3.39Å; F196-T200 WeakPolarHBondContact O-CB 3.48Å; F196-T200 PolarHBondContact O-N 3.02Å; F196-T200 PolarHBondContact O-OG1 3.48Å
197	M	98.9	Very high	98.6	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-64.1	-41.4	179	-68.4	-178.5	75.1	0	0	112.4	W147 P149 A193 T200 I201 F215 F218 W250 L251	W147-M197 HydrophobicContact CH2-CG 3.84Å; W147-M197 HydrophobicContact CH2-SD 4.36Å; W147-M197 HydrophobicContact CZ3-CG 3.89Å; W147-M197 HydrophobicContact CZ3-SD 3.8Å; P149-M197 HydrophobicContact CB-SD 3.77Å; P149-M197 HydrophobicContact CG-SD 3.79Å; A193-M197 WeakPolarHBondContact O-CG 3.39Å; A193-M197 PolarHBondContact O-N 3.44Å; M197-T200 WeakPolarHBondContact O-CB 3.47Å; M197-T200 PolarHBondContact O-N 2.91Å; M197-I201 WeakPolarHBondContact O-CG2 3.36Å; M197-I201 PolarHBondContact O-N 3.41Å; M197-I201 VanDerWaalsContact O-N 3.07Å; M197-F215 HydrophobicContact CB-CZ 4.01Å; M197-F215 HydrophobicContact CE-CD1 3.64Å; M197-F215 HydrophobicContact CE-CD2 4.12Å; M197-F215 HydrophobicContact CE-CE1 3.6Å; M197-F215 HydrophobicContact CE-CE2 4.07Å; M197-F215 HydrophobicContact CE-CG 3.9Å; M197-F215 HydrophobicContact CE-CZ 3.81Å; M197-F215 HydrophobicContact CG-CE1 4.4Å; M197-F215 HydrophobicContact CG-CZ 4.32Å; M197-F218 HydrophobicContact CE-CE2 4.44Å; M197-W250 HydrophobicContact CB-CH2 3.83Å; M197-W250 HydrophobicContact CB-CZ3 3.94Å; M197-W250 HydrophobicContact SD-CH2 4.11Å; M197-L251 HydrophobicContact CE-CD1 4.22Å; M197-L251 HydrophobicContact CE-CD2 4.18Å
198	L	98.7	Very high	98.6	Very high	19 Å²	19	42 Å²	42	10%	0.099	19%	0.193	C	C	.	.	H	α-helix	trans	-66.8	-47.6	-177.4	-177.1	67.5	0	0	0	112	K194 K195 F196 T200 I201 R202 W250 E254	K194-L198 WeakPolarHBondContact O-CB 3.31Å; K194-L198 PolarHBondContact O-N 3.16Å; K195-L198 PolarHBondContact O-N 2.83Å; F196-L198 PolarHBondContact O-N 3.39Å; L198-T200 VanDerWaalsContact C-N 3.3Å; L198-T200 PolarHBondContact O-N 3.14Å; L198-I201 WeakPolarHBondContact O-CG2 3.33Å; L198-I201 PolarHBondContact O-N 2.8Å; L198-R202 WeakPolarHBondContact O-CB 3.23Å; L198-R202 VanDerWaalsContact O-CG 3.3Å; L198-R202 WeakPolarHBondContact O-CG 3.15Å; L198-R202 PolarHBondContact O-N 2.92Å; L198-R202 VanDerWaalsContact O-N 3.08Å; L198-W250 HydrophobicContact CB-CE3 4.01Å; L198-W250 HydrophobicContact CB-CZ3 4.03Å; L198-W250 HydrophobicContact CD1-CE3 3.97Å; L198-W250 HydrophobicContact CG-CE3 4.46Å; L198-E254 HydrophobicContact CD1-CB 3.66Å; L198-E254 HydrophobicContact CD1-CG 3.61Å
199	D	98.8	Very high	98.5	Very high	31 Å²	31	43 Å²	43	17%	0.166	21%	0.205	C	C	.	.	H	α-helix	trans	-70.3	-31.3	179.8	-69.9	-9.6	0	0	0	110.8	L116 L120 K195 R202 H203	L116-D199 HydrophobicContact CD1-CB 4.41Å; L116-D199 HydrophobicContact CD2-CB 4.1Å; L116-D199 WeakPolarHBondContact CD2-OD2 3.39Å; L120-D199 HydrophobicContact CD1-CB 4.35Å; K195-D199 IonicContact NZ-OD2 3.19Å; K195-D199 PolarHBondContact NZ-OD2 2.7Å; K195-D199 WeakPolarHBondContact O-CB 3.43Å; K195-D199 PolarHBondContact O-N 2.81Å; D199-R202 IonicContact OD1-NH1 2.84Å; D199-H203 VanDerWaalsContact O-CB 3.31Å; D199-H203 WeakPolarHBondContact O-CB 3.31Å; D199-H203 PolarHBondContact O-N 2.95Å
200	T	98.8	Very high	98.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.2	-57.5	171	-58.6	0	0	0	0	111.1	L93 H119 M123 I142 W144 F196 M197 L198 R202 H203 A204	L93-T200 HydrophobicContact CD2-CG2 4.24Å; H119-T200 PolarHBondContact NE2-OG1 3Å; H119-T200 VanDerWaalsContact NE2-OG1 3.08Å; M123-T200 HydrophobicContact CE-CG2 3.61Å; M123-T200 WeakPolarHBondContact CE-O 3.33Å; M123-T200 HydrophobicContact SD-CG2 3.88Å; I142-T200 HydrophobicContact CD1-CG2 4.21Å; W144-T200 HydrophobicContact CH2-CG2 3.48Å; W144-T200 VanDerWaalsContact CH2-CG2 3.48Å; W144-T200 WeakPolarHBondContact CH2-OG1 3.46Å; W144-T200 HydrophobicContact CZ2-CG2 4.11Å; W144-T200 HydrophobicContact CZ3-CG2 4.11Å; F196-T200 WeakPolarHBondContact O-CB 3.48Å; F196-T200 PolarHBondContact O-N 3.02Å; F196-T200 PolarHBondContact O-OG1 3.48Å; M197-T200 WeakPolarHBondContact O-CB 3.47Å; M197-T200 PolarHBondContact O-N 2.91Å; L198-T200 VanDerWaalsContact C-N 3.3Å; L198-T200 PolarHBondContact O-N 3.14Å; T200-R202 VanDerWaalsContact C-N 3.29Å; T200-R202 PolarHBondContact O-N 2.71Å; T200-H203 PolarHBondContact O-N 3.1Å; T200-H203 VanDerWaalsContact O-N 3.14Å; T200-A204 WeakPolarHBondContact O-CB 3.45Å; T200-A204 PolarHBondContact O-N 2.9Å
201	I	98.6	Very high	98.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.9	-31.7	-175	-167.9	166.2	0	0	0	111.9	M197 L198 K205 W213 F215 E254 S255	M197-I201 WeakPolarHBondContact O-CG2 3.36Å; M197-I201 PolarHBondContact O-N 3.41Å; M197-I201 VanDerWaalsContact O-N 3.07Å; L198-I201 WeakPolarHBondContact O-CG2 3.33Å; L198-I201 PolarHBondContact O-N 2.8Å; I201-K205 VanDerWaalsContact O-CG 3.27Å; I201-K205 WeakPolarHBondContact O-CG 3.35Å; I201-K205 PolarHBondContact O-N 2.81Å; I201-W213 HydrophobicContact CD1-CB 4.3Å; I201-W213 HydrophobicContact CG1-CB 4.13Å; I201-F215 HydrophobicContact CB-CE2 4.03Å; I201-F215 HydrophobicContact CB-CZ 4.49Å; I201-F215 HydrophobicContact CD1-CD2 4.25Å; I201-F215 HydrophobicContact CD1-CE2 3.94Å; I201-F215 HydrophobicContact CG2-CE2 4.44Å; I201-E254 HydrophobicContact CG2-CB 4.07Å; I201-E254 HydrophobicContact CG2-CG 3.5Å; I201-E254 VanDerWaalsContact CG2-CG 3.5Å; I201-S255 WeakPolarHBondContact CD1-OG 3.46Å
202	R	98.7	Very high	98.3	Very high	112 Å²	112	39.3 Å²	39.3	42%	0.423	19%	0.189	S	C	.	.	H	α-helix	trans	-59.3	-49.2	170	-79.7	170.3	176.5	171.6	-1.8	111.8	L198 D199 T200 K205 H206 E254	L198-R202 WeakPolarHBondContact O-CB 3.23Å; L198-R202 VanDerWaalsContact O-CG 3.3Å; L198-R202 WeakPolarHBondContact O-CG 3.15Å; L198-R202 PolarHBondContact O-N 2.92Å; L198-R202 VanDerWaalsContact O-N 3.08Å; D199-R202 IonicContact OD1-NH1 2.84Å; T200-R202 VanDerWaalsContact C-N 3.29Å; T200-R202 PolarHBondContact O-N 2.71Å; R202-K205 PolarHBondContact O-N 3.37Å; R202-H206 PolarHBondContact O-N 3.3Å; R202-E254 HydrophobicContact CG-CG 3.84Å; R202-E254 WeakPolarHBondContact CG-OE1 3.36Å; R202-E254 IonicContact CZ-OE2 3.78Å; R202-E254 VanDerWaalsContact NE-CD 3.29Å; R202-E254 IonicContact NE-OE1 3.23Å; R202-E254 IonicContact NE-OE2 2.62Å; R202-E254 PolarHBondContact NE-OE2 2.92Å; R202-E254 IonicContact NH2-OE2 2.78Å; R202-E254 PolarHBondContact NH2-OE2 3.45Å
203	H	98.6	Very high	98.3	Very high	51 Å²	51	37.8 Å²	37.8	24%	0.236	18%	0.179	C	C	.	.	H	α-helix	trans	-66.4	-43.5	-179.7	-164.9	57.9	0	0	0	111.3	L120 M123 D199 T200 K205 H206 L207	L120-H203 HydrophobicContact CD2-CB 3.8Å; L120-H203 PolarHBondContact O-NE2 2.82Å; M123-H203 HydrophobicContact CE-CB 4.43Å; M123-H203 HydrophobicContact SD-CB 4.36Å; D199-H203 VanDerWaalsContact O-CB 3.31Å; D199-H203 WeakPolarHBondContact O-CB 3.31Å; D199-H203 PolarHBondContact O-N 2.95Å; T200-H203 PolarHBondContact O-N 3.1Å; T200-H203 VanDerWaalsContact O-N 3.14Å; H203-K205 VanDerWaalsContact C-N 3.33Å; H203-K205 PolarHBondContact O-N 3.4Å; H203-H206 WeakPolarHBondContact O-CA 3.35Å; H203-H206 WeakPolarHBondContact O-CB 3.42Å; H203-H206 PolarHBondContact O-N 3.26Å; H203-L207 WeakPolarHBondContact O-CG 3.28Å; H203-L207 PolarHBondContact O-N 3.4Å
204	A	98.3	Very high	98.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-55.9	-45.2	176.3	0	0	0	0	0	112.5	M123 T200 H206 L207 R208 W213	M123-A204 HydrophobicContact CE-CB 3.95Å; T200-A204 WeakPolarHBondContact O-CB 3.45Å; T200-A204 PolarHBondContact O-N 2.9Å; A204-H206 PolarHBondContact O-N 2.86Å; A204-L207 PolarHBondContact O-N 2.97Å; A204-R208 PolarHBondContact O-N 3.37Å; A204-W213 HydrophobicContact CB-CD2 3.7Å; A204-W213 HydrophobicContact CB-CE3 3.7Å; A204-W213 HydrophobicContact CB-CG 4.39Å; A204-W213 HydrophobicContact CB-CH2 3.91Å; A204-W213 HydrophobicContact CB-CZ2 3.92Å; A204-W213 HydrophobicContact CB-CZ3 3.8Å; A204-W213 PolarHBondContact O-NE1 3.2Å
205	K	97.8	Very high	98.3	Very high	46 Å²	46	33.6 Å²	33.6	20%	0.2	16%	0.161	C	C	.	.	H	α-helix	trans	-64.1	-37.9	174.2	-70.5	-177.7	-51	175.7	0	113	I201 R202 H203 L207 R208 P209 W213 E254 T256	I201-K205 VanDerWaalsContact O-CG 3.27Å; I201-K205 WeakPolarHBondContact O-CG 3.35Å; I201-K205 PolarHBondContact O-N 2.81Å; R202-K205 PolarHBondContact O-N 3.37Å; H203-K205 VanDerWaalsContact C-N 3.33Å; H203-K205 PolarHBondContact O-N 3.4Å; K205-L207 VanDerWaalsContact C-N 3.32Å; K205-R208 CarbonylContact O-C 3.22Å; K205-R208 VanDerWaalsContact O-C 3.22Å; K205-R208 PolarHBondContact O-N 3.03Å; K205-P209 WeakPolarHBondContact O-CA 3.3Å; K205-W213 HydrophobicContact CG-CB 4.19Å; K205-W213 HydrophobicContact CG-CG 4.13Å; K205-E254 WeakPolarHBondContact CE-O 3.46Å; K205-E254 WeakPolarHBondContact CE-OE1 3.49Å; K205-E254 PolarHBondContact NZ-O 3.08Å; K205-E254 IonicContact NZ-OE1 3.75Å; K205-E254 PolarHBondContact NZ-OE1 3.02Å; K205-T256 HydrophobicContact CD-CG2 3.63Å; K205-T256 HydrophobicContact CG-CG2 4.36Å
206	H	97.8	Very high	98.3	Very high	146 Å²	146	29 Å²	29	68%	0.676	14%	0.141	S	C	*	.	H	α-helix	trans	-63.6	-40.8	174.3	179.6	72.1	0	0	0	111.5	R202 H203 A204	R202-H206 PolarHBondContact O-N 3.3Å; H203-H206 WeakPolarHBondContact O-CA 3.35Å; H203-H206 WeakPolarHBondContact O-CB 3.42Å; H203-H206 PolarHBondContact O-N 3.26Å; A204-H206 PolarHBondContact O-N 2.86Å
207	L	97.8	Very high	98.2	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-68.8	-38.1	178.2	-64.6	-176.5	0	0	0	112.4	V127 H203 A204 K205	V127-L207 HydrophobicContact CB-CD1 4.14Å; V127-L207 HydrophobicContact CG1-CB 4.08Å; V127-L207 HydrophobicContact CG1-CD1 4.37Å; V127-L207 HydrophobicContact CG2-CD1 3.97Å; H203-L207 WeakPolarHBondContact O-CG 3.28Å; H203-L207 PolarHBondContact O-N 3.4Å; A204-L207 PolarHBondContact O-N 2.97Å; K205-L207 VanDerWaalsContact C-N 3.32Å
208	R	98.1	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.			trans	-138.1	83	-179	-63.1	-61.8	178.5	-78.4	-3.6	111	V127 D128 I131 A204 K205 N210 N211 W213	V127-R208 HydrophobicContact CG1-CG 3.53Å; D128-R208 IonicContact OD1-CZ 3.61Å; D128-R208 IonicContact OD1-NH1 3.58Å; D128-R208 IonicContact OD1-NH2 2.71Å; D128-R208 PolarHBondContact OD1-NH2 2.82Å; I131-R208 HydrophobicContact CB-CG 4.44Å; I131-R208 HydrophobicContact CG2-CG 4.17Å; I131-R208 PolarHBondContact O-NE 3.21Å; I131-R208 PolarHBondContact O-NH2 2.73Å; A204-R208 PolarHBondContact O-N 3.37Å; K205-R208 CarbonylContact O-C 3.22Å; K205-R208 VanDerWaalsContact O-C 3.22Å; K205-R208 PolarHBondContact O-N 3.03Å; R208-N210 VanDerWaalsContact C-N 3.29Å; R208-N210 PolarHBondContact O-N 2.75Å; R208-N211 HydrophobicContact CB-CB 4.2Å; R208-N211 WeakPolarHBondContact CB-OD1 3.04Å; R208-N211 PolarHBondContact O-N 3.48Å; R208-W213 HydrophobicContact CB-CZ2 3.96Å; R208-W213 HydrophobicContact CG-CZ2 4.3Å; R208-W213 PolarHBondContact O-NE1 2.71Å
209	P	96.9	Very high	98.1	Very high	82 Å²	82	29.3 Å²	29.3	53%	0.532	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-21.9	-172.7	27.1	-35.2	0	0	0	114	K205	K205-P209 WeakPolarHBondContact O-CA 3.3Å
210	N	96.2	Very high	98.1	Very high	71 Å²	71	28.4 Å²	28.4	38%	0.38	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-7	-178.2	-66	-17.7	0	0	0	113.4	A136 V137 R208	A136-N210 WeakPolarHBondContact O-CB 2.94Å; V137-N210 HydrophobicContact CG2-CB 4.09Å; R208-N210 VanDerWaalsContact C-N 3.29Å; R208-N210 PolarHBondContact O-N 2.75Å
211	N	97.9	Very high	98	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.027	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	146.8	173.5	-75.6	92.4	0	0	0	111.5	A136 G138 A140 R208 W213	A136-N211 PolarHBondContact O-OD1 2.61Å; A136-N211 VanDerWaalsContact O-OD1 3.1Å; G138-N211 CarbonylContact O-C 2.98Å; G138-N211 WeakPolarHBondContact O-CA 3.16Å; G138-N211 PolarHBondContact O-ND2 2.97Å; A140-N211 HydrophobicContact CB-CB 4.07Å; R208-N211 HydrophobicContact CB-CB 4.2Å; R208-N211 WeakPolarHBondContact CB-OD1 3.04Å; R208-N211 PolarHBondContact O-N 3.48Å; N211-W213 PolarHBondContact O-N 2.81Å
212	L	98.4	Very high	97.9	Very high	10 Å²	10	30 Å²	30	5%	0.052	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	99.3	170.9	-61.9	-178	0	0	0	109.6	R37 L40 G138 L139 A140 T256 A257 P298 F300	R37-L212 VanDerWaalsContact NH1-CD2 3.28Å; L40-L212 HydrophobicContact CD1-CD1 4.27Å; L40-L212 HydrophobicContact CD2-CD1 3.87Å; L40-L212 HydrophobicContact CD2-CG 4.39Å; L40-L212 HydrophobicContact CG-CD1 4.23Å; G138-L212 PolarHBondContact O-N 3.05Å; L139-L212 HydrophobicContact CD2-CB 4.03Å; L139-L212 HydrophobicContact CD2-CD1 4.03Å; A140-L212 PolarHBondContact N-O 2.82Å; L212-T256 WeakPolarHBondContact CA-OG1 3.45Å; L212-A257 HydrophobicContact CB-CB 3.91Å; L212-P298 HydrophobicContact CD1-CG 3.98Å; L212-F300 HydrophobicContact CD1-CE2 3.72Å; L212-F300 HydrophobicContact CD1-CZ 3.85Å
213	W	98.7	Very high	97.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.4	176.8	-66.4	93.9	0	0	0	113.7	F88 L93 V127 I131 A140 I142 I201 A204 K205 R208 N211 T256 A257	F88-W213 HydrophobicContact CD2-CH2 4.23Å; F88-W213 AromaticContact CD2-CZ3 3.91Å; F88-W213 HydrophobicContact CD2-CZ3 3.91Å; F88-W213 AromaticContact CE2-CH2 3.51Å; F88-W213 HydrophobicContact CE2-CH2 3.51Å; F88-W213 AromaticContact CE2-CZ3 3.64Å; F88-W213 HydrophobicContact CE2-CZ3 3.64Å; F88-W213 AromaticContact CZ-CH2 3.99Å; F88-W213 HydrophobicContact CZ-CH2 3.99Å; F88-W213 HydrophobicContact CZ-CZ3 4.48Å; L93-W213 HydrophobicContact CD2-CZ3 4.41Å; V127-W213 HydrophobicContact CG2-CH2 4.32Å; I131-W213 HydrophobicContact CD1-CH2 4.38Å; I131-W213 HydrophobicContact CD1-CZ2 4.32Å; A140-W213 HydrophobicContact CB-CD2 3.52Å; A140-W213 HydrophobicContact CB-CE3 3.46Å; A140-W213 VanDerWaalsContact CB-CE3 3.46Å; A140-W213 HydrophobicContact CB-CG 4.23Å; A140-W213 HydrophobicContact CB-CH2 3.72Å; A140-W213 HydrophobicContact CB-CZ2 3.75Å; A140-W213 HydrophobicContact CB-CZ3 3.58Å; A140-W213 WeakPolarHBondContact O-CA 3.42Å; I142-W213 HydrophobicContact CD1-CE3 4.25Å; I142-W213 HydrophobicContact CG1-CE3 4.14Å; I142-W213 HydrophobicContact CG1-CZ3 4.24Å; I201-W213 HydrophobicContact CD1-CB 4.3Å; I201-W213 HydrophobicContact CG1-CB 4.13Å; A204-W213 HydrophobicContact CB-CD2 3.7Å; A204-W213 HydrophobicContact CB-CE3 3.7Å; A204-W213 HydrophobicContact CB-CG 4.39Å; A204-W213 HydrophobicContact CB-CH2 3.91Å; A204-W213 HydrophobicContact CB-CZ2 3.92Å; A204-W213 HydrophobicContact CB-CZ3 3.8Å; A204-W213 PolarHBondContact O-NE1 3.2Å; K205-W213 HydrophobicContact CG-CB 4.19Å; K205-W213 HydrophobicContact CG-CG 4.13Å; R208-W213 HydrophobicContact CB-CZ2 3.96Å; R208-W213 HydrophobicContact CG-CZ2 4.3Å; R208-W213 PolarHBondContact O-NE1 2.71Å; N211-W213 PolarHBondContact O-N 2.81Å; W213-T256 WeakPolarHBondContact CA-OG1 3.41Å; W213-T256 PolarHBondContact N-OG1 3.49Å; W213-T256 PolarHBondContact O-N 2.94Å; W213-T256 PolarHBondContact O-OG1 3.45Å; W213-A257 PolarHBondContact O-N 3.08Å; W213-A257 VanDerWaalsContact O-N 3.14Å
214	G	98.6	Very high	97.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	173	171.3	0	0	0	0	0	111	A140 I142	A140-G214 PolarHBondContact O-N 3.45Å; I142-G214 PolarHBondContact N-O 2.9Å
215	F	98.8	Very high	97.5	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.6	179.4	-68.6	-97.8	0	0	0	110.3	I142 W144 M197 I201 F218 L251	I142-F215 HydrophobicContact CB-CD1 3.69Å; I142-F215 HydrophobicContact CB-CE1 3.86Å; I142-F215 HydrophobicContact CB-CG 4.25Å; I142-F215 HydrophobicContact CD1-CD1 4.47Å; I142-F215 HydrophobicContact CD1-CE1 3.96Å; I142-F215 HydrophobicContact CD1-CE2 4.21Å; I142-F215 HydrophobicContact CD1-CZ 3.83Å; I142-F215 HydrophobicContact CG2-CD1 3.7Å; I142-F215 HydrophobicContact CG2-CE1 3.55Å; I142-F215 HydrophobicContact CG2-CZ 4.45Å; I142-F215 CarbonylContact O-C 3.39Å; I142-F215 VanDerWaalsContact O-CA 3.31Å; I142-F215 WeakPolarHBondContact O-CA 3.38Å; W144-F215 HydrophobicContact CD2-CE1 4.31Å; W144-F215 AromaticContact CE3-CE1 3.78Å; W144-F215 HydrophobicContact CE3-CE1 3.78Å; W144-F215 HydrophobicContact CZ3-CE1 4.22Å; M197-F215 HydrophobicContact CB-CZ 4.01Å; M197-F215 HydrophobicContact CE-CD1 3.64Å; M197-F215 HydrophobicContact CE-CD2 4.12Å; M197-F215 HydrophobicContact CE-CE1 3.6Å; M197-F215 HydrophobicContact CE-CE2 4.07Å; M197-F215 HydrophobicContact CE-CG 3.9Å; M197-F215 HydrophobicContact CE-CZ 3.81Å; M197-F215 HydrophobicContact CG-CE1 4.4Å; M197-F215 HydrophobicContact CG-CZ 4.32Å; I201-F215 HydrophobicContact CB-CE2 4.03Å; I201-F215 HydrophobicContact CB-CZ 4.49Å; I201-F215 HydrophobicContact CD1-CD2 4.25Å; I201-F215 HydrophobicContact CD1-CE2 3.94Å; I201-F215 HydrophobicContact CG2-CE2 4.44Å; F215-F218 HydrophobicContact CB-CB 4.16Å; F215-F218 HydrophobicContact CB-CD2 3.79Å; F215-F218 HydrophobicContact CB-CG 4.27Å; F215-F218 PolarHBondContact O-N 3.41Å; F215-L251 HydrophobicContact CD2-CD1 3.56Å; F215-L251 HydrophobicContact CE2-CD1 3.57Å
216	Y	98.6	Very high	97.3	Very high	19 Å²	19	27.9 Å²	27.9	8%	0.075	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-57.1	151.2	169.6	168.4	-102.7	0	0	0	110.6	I142 D143 E145 F218 Y263 Y302	I142-Y216 PolarHBondContact O-N 3.32Å; D143-Y216 WeakPolarHBondContact OD1-CD1 3.14Å; E145-Y216 HydrophobicContact CG-CD1 4.35Å; E145-Y216 HydrophobicContact CG-CE1 4.48Å; E145-Y216 WeakPolarHBondContact OE1-CE1 3.21Å; Y216-F218 VanDerWaalsContact O-CD2 3.29Å; Y216-F218 WeakPolarHBondContact O-CD2 3.42Å; Y216-F218 PolarHBondContact O-N 3.16Å; Y216-Y263 WeakPolarHBondContact OH-CE2 3.39Å; Y216-Y302 HydrophobicContact CD2-CD1 4.04Å; Y216-Y302 AromaticContact CD2-CD2 3.96Å; Y216-Y302 HydrophobicContact CD2-CD2 3.96Å; Y216-Y302 HydrophobicContact CD2-CE1 4.25Å; Y216-Y302 HydrophobicContact CD2-CE2 4.17Å; Y216-Y302 AromaticContact CD2-CG 3.89Å; Y216-Y302 HydrophobicContact CD2-CG 3.89Å; Y216-Y302 AromaticContact CE2-CD1 3.87Å; Y216-Y302 HydrophobicContact CE2-CD1 3.87Å; Y216-Y302 HydrophobicContact CE2-CD2 4.36Å; Y216-Y302 HydrophobicContact CE2-CE1 4.43Å; Y216-Y302 AromaticContact CE2-CG 3.83Å; Y216-Y302 HydrophobicContact CE2-CG 3.83Å
217	L	96.8	Very high	97	Very high	17 Å²	17	27.1 Å²	27.1	9%	0.089	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	-15.9	-177.4	-171.9	64.7	0	0	0	115	P219 D220 F259	L217-P219 CarbonylContact O-C 3.59Å; L217-D220 HydrophobicContact CD1-CB 4.49Å; L217-D220 HydrophobicContact CG-CB 4.36Å; L217-D220 PolarHBondContact O-N 2.89Å; L217-F259 PolarHBondContact N-O 2.93Å
218	F	98.1	Very high	96.7	Very high	12 Å²	12	37.5 Å²	37.5	5%	0.053	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-93.9	126	-172.6	-84	-85.7	0	0	0	112	P149 M197 F215 Y216 L248 L251 W252 F259	P149-F218 HydrophobicContact CG-CE1 4.25Å; P149-F218 HydrophobicContact CG-CZ 4.23Å; M197-F218 HydrophobicContact CE-CE2 4.44Å; F215-F218 HydrophobicContact CB-CB 4.16Å; F215-F218 HydrophobicContact CB-CD2 3.79Å; F215-F218 HydrophobicContact CB-CG 4.27Å; F215-F218 PolarHBondContact O-N 3.41Å; Y216-F218 VanDerWaalsContact O-CD2 3.29Å; Y216-F218 WeakPolarHBondContact O-CD2 3.42Å; Y216-F218 PolarHBondContact O-N 3.16Å; F218-L248 HydrophobicContact CD1-CD1 4.5Å; F218-L248 HydrophobicContact CE1-CD1 4.03Å; F218-L251 HydrophobicContact CB-CD2 4.44Å; F218-L251 HydrophobicContact CD1-CD2 3.6Å; F218-L251 HydrophobicContact CE1-CD2 4Å; F218-L251 HydrophobicContact CG-CD2 4.02Å; F218-W252 HydrophobicContact CB-CZ3 4Å; F218-W252 AromaticContact CD1-CH2 3.82Å; F218-W252 HydrophobicContact CD1-CH2 3.82Å; F218-W252 AromaticContact CD1-CZ3 3.96Å; F218-W252 HydrophobicContact CD1-CZ3 3.96Å; F218-W252 HydrophobicContact CG-CZ3 4.44Å; F218-F259 CarbonylContact O-C 3.59Å; F218-F259 PolarHBondContact O-N 2.87Å
219	P	98.1	Very high	96.4	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.019	20%	0.2	C	C	.	.	S	Bend	cis	-80.1	154.7	-2.4	35.3	-37.5	0	0	0	113	L217 W252 E284 L288	L217-P219 CarbonylContact O-C 3.59Å; P219-W252 HydrophobicContact CB-CH2 3.77Å; P219-W252 HydrophobicContact CB-CZ2 4.29Å; P219-W252 HydrophobicContact CB-CZ3 4.17Å; P219-E284 HydrophobicContact CB-CG 4.48Å; P219-E284 HydrophobicContact CG-CG 4.39Å; P219-L288 HydrophobicContact CB-CD1 3.41Å; P219-L288 VanDerWaalsContact CB-CD1 3.41Å; P219-L288 HydrophobicContact CG-CD1 3.69Å
220	D	97.6	Very high	96.2	Very high	13 Å²	13	39.9 Å²	39.9	7%	0.07	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-102.9	141.7	166.6	-161.8	-21.3	0	0	0	109.7	L217 Y222 N245 R281	L217-D220 HydrophobicContact CD1-CB 4.49Å; L217-D220 HydrophobicContact CG-CB 4.36Å; L217-D220 PolarHBondContact O-N 2.89Å; D220-Y222 HydrophobicContact CB-CD2 3.91Å; D220-Y222 HydrophobicContact CB-CE2 3.58Å; D220-Y222 PolarHBondContact OD1-N 3.11Å; D220-N245 PolarHBondContact O-ND2 3.17Å; D220-R281 IonicContact OD1-CZ 2.82Å; D220-R281 VanDerWaalsContact OD1-CZ 3.24Å; D220-R281 IonicContact OD1-NH1 3.68Å; D220-R281 PolarHBondContact OD1-NH1 3.05Å; D220-R281 IonicContact OD1-NH2 3.64Å; D220-R281 PolarHBondContact OD1-NH2 3.03Å; D220-R281 IonicContact OD2-NH2 3.61Å
221	C	97.7	Very high	96.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	21%	0.214	C	C	.	.			trans	-90.4	-21.6	178.6	-178.7	0	0	0	0	112	N223 C237 P238 R281	C221-N223 PolarHBondContact O-N 3.45Å; C221-N223 VanDerWaalsContact O-N 3.13Å; C221-C237 HydrophobicContact CB-CB 4.07Å; C221-C237 WeakPolarHBondContact CB-SG 3.46Å; C221-C237 WeakPolarHBondContact SG-CA 3.4Å; C221-C237 WeakPolarHBondContact SG-CB 3Å; C221-C237 PolarHBondContact SG-N 3.16Å; C221-C237 VanDerWaalsContact SG-N 3.44Å; C221-C237 CovalentContact SG-SG 2.02Å; C221-C237 PolarHBondContact SG-SG 2.66Å; C221-P238 VanDerWaalsContact O-CD 3.3Å; C221-P238 WeakPolarHBondContact O-CD 3.34Å; C221-R281 HydrophobicContact CB-CB 4.34Å; C221-R281 HydrophobicContact CB-CG 3.57Å
222	Y	97.1	Very high	95.8	Very high	32 Å²	32	48.1 Å²	48.1	13%	0.125	25%	0.248	C	C	.	.			trans	52.9	28.9	-177.5	-67.6	-82.5	0	0	0	114.5	R153 W155 D220 H224 E241	R153-Y222 WeakPolarHBondContact CD-OH 3.39Å; R153-Y222 HydrophobicContact CG-CE2 4.46Å; R153-Y222 VanDerWaalsContact NE-CE2 3.26Å; W155-Y222 HydrophobicContact CH2-CD1 4.14Å; W155-Y222 HydrophobicContact CH2-CE1 4.03Å; W155-Y222 AromaticContact CZ2-CD1 3.72Å; W155-Y222 HydrophobicContact CZ2-CD1 3.72Å; W155-Y222 AromaticContact CZ2-CE1 3.5Å; W155-Y222 HydrophobicContact CZ2-CE1 3.5Å; W155-Y222 VanDerWaalsContact CZ2-CE1 3.5Å; D220-Y222 HydrophobicContact CB-CD2 3.91Å; D220-Y222 HydrophobicContact CB-CE2 3.58Å; D220-Y222 PolarHBondContact OD1-N 3.11Å; Y222-H224 PolarHBondContact O-N 2.99Å; Y222-E241 HydrophobicContact CD2-CB 4.47Å; Y222-E241 HydrophobicContact CD2-CG 4.25Å; Y222-E241 WeakPolarHBondContact CD2-OE2 3.17Å; Y222-E241 HydrophobicContact CG-CG 4.3Å
223	N	97.6	Very high	95.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.25	C	C	.	.			trans	-80.3	45.2	179.6	59.3	-22.1	0	0	0	113.1	C221 Y226 Y233 G235 F277 R281	C221-N223 PolarHBondContact O-N 3.45Å; C221-N223 VanDerWaalsContact O-N 3.13Å; N223-Y226 WeakPolarHBondContact O-CD1 3.35Å; N223-Y233 WeakPolarHBondContact O-CE2 3.07Å; N223-Y233 PolarHBondContact O-OH 3.46Å; N223-G235 WeakPolarHBondContact CB-O 3.46Å; N223-G235 PolarHBondContact ND2-O 3.31Å; N223-F277 PolarHBondContact ND2-O 2.89Å; N223-F277 WeakPolarHBondContact OD1-CD2 3.2Å; N223-F277 WeakPolarHBondContact OD1-CE2 3.19Å; N223-R281 WeakPolarHBondContact OD1-CG 3.28Å; N223-R281 PolarHBondContact OD1-NH1 2.99Å; N223-R281 VanDerWaalsContact OD1-NH1 3.14Å
224	H	95.4	Very high	95.5	Very high	61 Å²	61	52.5 Å²	52.5	28%	0.282	27%	0.272	S	S	.	.			trans	-91.8	11.6	-174.5	-61.2	-71.9	0	0	0	114.5	Y222 Y226 L227 F277	Y222-H224 PolarHBondContact O-N 2.99Å; H224-Y226 HydrophobicContact CB-CE1 4.21Å; H224-Y226 AromaticContact ND1-CE1 3.66Å; H224-Y226 AromaticContact ND1-CZ 3.88Å; H224-Y226 PolarHBondContact ND1-OH 3.12Å; H224-Y226 PolarHBondContact O-N 2.04Å; H224-L227 HydrophobicContact CB-CD1 4.12Å; H224-L227 WeakPolarHBondContact O-CB 3.34Å; H224-L227 WeakPolarHBondContact O-CG 3.09Å; H224-L227 PolarHBondContact O-N 3.35Å; H224-F277 AromaticContact CE1-CE2 3.84Å; H224-F277 AromaticContact ND1-CE2 3.89Å
225	D	93.3	Very high	95.5	Very high	83 Å²	83	52.5 Å²	52.5	44%	0.444	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-60.8	-18.3	-178.6	-64.9	-44.7	0	0	0	113.5	L227 R228 S229 Y233	D225-L227 PolarHBondContact O-N 3.34Å; D225-L227 VanDerWaalsContact O-N 3.08Å; D225-R228 PolarHBondContact O-N 3.33Å; D225-S229 PolarHBondContact O-N 3.22Å; D225-Y233 HydrophobicContact CB-CD2 4.46Å
226	Y	93.1	Very high	95.4	Very high	21 Å²	21	59.5 Å²	59.5	8%	0.082	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-55.2	-23	169.9	69.4	-101.5	0	0	0	113.5	N223 H224 R228 S229 Y233 V267 L268 F277	N223-Y226 WeakPolarHBondContact O-CD1 3.35Å; H224-Y226 HydrophobicContact CB-CE1 4.21Å; H224-Y226 AromaticContact ND1-CE1 3.66Å; H224-Y226 AromaticContact ND1-CZ 3.88Å; H224-Y226 PolarHBondContact ND1-OH 3.12Å; H224-Y226 PolarHBondContact O-N 2.04Å; Y226-R228 PolarHBondContact O-N 3.01Å; Y226-S229 WeakPolarHBondContact CA-O 3.44Å; Y226-Y233 HydrophobicContact CD1-CE2 4.11Å; Y226-Y233 AromaticContact CD1-CZ 3.86Å; Y226-V267 HydrophobicContact CD2-CG1 3.47Å; Y226-V267 VanDerWaalsContact CD2-CG1 3.47Å; Y226-V267 HydrophobicContact CE2-CG1 3.56Å; Y226-L268 HydrophobicContact CD1-CD1 4.07Å; Y226-L268 HydrophobicContact CD1-CD2 4.37Å; Y226-L268 HydrophobicContact CD2-CD1 4.39Å; Y226-L268 HydrophobicContact CD2-CD2 4.18Å; Y226-L268 HydrophobicContact CD2-CG 4.21Å; Y226-L268 HydrophobicContact CE1-CD1 3.94Å; Y226-L268 HydrophobicContact CE2-CD1 4.29Å; Y226-L268 HydrophobicContact CE2-CG 4.38Å; Y226-L268 HydrophobicContact CG-CD1 4.31Å; Y226-L268 HydrophobicContact CG-CD2 3.96Å; Y226-L268 HydrophobicContact CG-CG 4.34Å; Y226-F277 HydrophobicContact CD1-CD2 4.21Å; Y226-F277 AromaticContact CE1-CD2 3.75Å; Y226-F277 HydrophobicContact CE1-CD2 3.75Å; Y226-F277 AromaticContact CE1-CE2 3.75Å; Y226-F277 HydrophobicContact CE1-CE2 3.75Å
227	L	91.9	Very high	95.4	Very high	129 Å²	129	59.2 Å²	59.2	68%	0.675	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-66.8	-19.9	175.1	-67.4	174.6	0	0	0	112.7	H224 D225	H224-L227 HydrophobicContact CB-CD1 4.12Å; H224-L227 WeakPolarHBondContact O-CB 3.34Å; H224-L227 WeakPolarHBondContact O-CG 3.09Å; H224-L227 PolarHBondContact O-N 3.35Å; D225-L227 PolarHBondContact O-N 3.34Å; D225-L227 VanDerWaalsContact O-N 3.08Å
228	R	91	Very high	95.4	Very high	225 Å²	225	60.1 Å²	60.1	85%	0.849	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-49.8	176.2	-63.6	-180	177.4	172.9	0.1	111.5	D225 Y226	D225-R228 PolarHBondContact O-N 3.33Å; Y226-R228 PolarHBondContact O-N 3.01Å
229	S	91.7	Very high	95.4	Very high	59 Å²	59	65.1 Å²	65.1	41%	0.413	33%	0.333	S	S	.	.			trans	-159.1	147.7	177.9	-174.3	0	0	0	0	111	D225 Y226 E231	D225-S229 PolarHBondContact O-N 3.22Å; Y226-S229 WeakPolarHBondContact CA-O 3.44Å; S229-E231 WeakPolarHBondContact OG-CB 3.23Å; S229-E231 PolarHBondContact OG-N 2.53Å
230	L	93.6	Very high	95.4	Very high	72 Å²	72	68.5 Å²	68.5	38%	0.377	35%	0.354	S	S	.	.			trans	-88.5	-10.5	168.3	-70	173.4	0	0	0	112.6	G232 Y233 L268 P273	L230-G232 PolarHBondContact O-N 2.94Å; L230-Y233 WeakPolarHBondContact O-CB 3.38Å; L230-Y233 PolarHBondContact O-N 3.12Å; L230-Y233 VanDerWaalsContact O-N 3.15Å; L230-L268 HydrophobicContact CD2-CD2 3.96Å; L230-P273 HydrophobicContact CD2-CB 3.82Å; L230-P273 HydrophobicContact CD2-CG 4.17Å
231	E	93.3	Very high	95.4	Very high	177 Å²	177	68.3 Å²	68.3	83%	0.827	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	121.1	177.7	-171	177	-174.3	0	0	110.4	S229 Y233	S229-E231 WeakPolarHBondContact OG-CB 3.23Å; S229-E231 PolarHBondContact OG-N 2.53Å; E231-Y233 PolarHBondContact O-N 3.45Å
232	G	92.3	Very high	95.4	Very high	72 Å²	72	70.2 Å²	70.2	74%	0.742	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	10	-176.9	0	0	0	0	0	114.8	L230 T234	L230-G232 PolarHBondContact O-N 2.94Å; G232-T234 PolarHBondContact O-N 3.03Å
233	Y	96.4	Very high	95.5	Very high	26 Å²	26	71.1 Å²	71.1	10%	0.102	38%	0.379	C	S	.	.			trans	-69.4	119.4	178.5	-178.6	-99.9	0	0	0	111	N223 D225 Y226 L230 E231 G235 P273 Q276 F277	N223-Y233 WeakPolarHBondContact O-CE2 3.07Å; N223-Y233 PolarHBondContact O-OH 3.46Å; D225-Y233 HydrophobicContact CB-CD2 4.46Å; Y226-Y233 HydrophobicContact CD1-CE2 4.11Å; Y226-Y233 AromaticContact CD1-CZ 3.86Å; L230-Y233 WeakPolarHBondContact O-CB 3.38Å; L230-Y233 PolarHBondContact O-N 3.12Å; L230-Y233 VanDerWaalsContact O-N 3.15Å; E231-Y233 PolarHBondContact O-N 3.45Å; Y233-G235 VanDerWaalsContact CZ-CA 3.48Å; Y233-P273 HydrophobicContact CD1-CB 3.84Å; Y233-P273 HydrophobicContact CE1-CB 4.24Å; Y233-Q276 PolarHBondContact O-OE1 3.22Å; Y233-F277 HydrophobicContact CE1-CB 4.4Å; Y233-F277 WeakPolarHBondContact OH-CD2 3.3Å
234	T	95.4	Very high	95.5	Very high	76 Å²	76	73.6 Å²	73.6	47%	0.466	39%	0.388	S	S	.	.			trans	-104.3	-4	-177.8	61.8	0	0	0	0	113.8	G232 R236 Q276 N280	G232-T234 PolarHBondContact O-N 3.03Å; T234-R236 PolarHBondContact O-N 3.32Å; T234-R236 PolarHBondContact OG1-N 3.23Å; T234-Q276 PolarHBondContact O-OE1 3.29Å; T234-Q276 VanDerWaalsContact O-OE1 3.07Å; T234-N280 PolarHBondContact O-ND2 3.04Å
235	G	97.1	Very high	95.7	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.01	37%	0.374	C	S	.	.			trans	66.6	-6.7	-170.6	0	0	0	0	0	115.7	N223 Y233 N280	N223-G235 WeakPolarHBondContact CB-O 3.46Å; N223-G235 PolarHBondContact ND2-O 3.31Å; Y233-G235 VanDerWaalsContact CZ-CA 3.48Å; G235-N280 WeakPolarHBondContact O-CB 3.5Å; G235-N280 VanDerWaalsContact O-CG 3.31Å; G235-N280 PolarHBondContact O-ND2 3.34Å
236	R	97.3	Very high	95.9	Very high	151 Å²	151	70.6 Å²	70.6	57%	0.57	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-57.9	141.6	-178.3	-72.3	179.1	60	171.5	-5.1	111.4	T234 D239	T234-R236 PolarHBondContact O-N 3.32Å; T234-R236 PolarHBondContact OG1-N 3.23Å; R236-D239 IonicContact NH2-OD1 3.76Å
237	C	98.3	Very high	96.1	Very high	12 Å²	12	75.1 Å²	75.1	8%	0.081	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-62.1	130.9	166.8	-47.9	0	0	0	0	107.9	C221 D239 V242	C221-C237 HydrophobicContact CB-CB 4.07Å; C221-C237 WeakPolarHBondContact CB-SG 3.46Å; C221-C237 WeakPolarHBondContact SG-CA 3.4Å; C221-C237 WeakPolarHBondContact SG-CB 3Å; C221-C237 PolarHBondContact SG-N 3.16Å; C221-C237 VanDerWaalsContact SG-N 3.44Å; C221-C237 CovalentContact SG-SG 2.02Å; C221-C237 PolarHBondContact SG-SG 2.66Å; C237-D239 PolarHBondContact O-N 3.03Å; C237-V242 HydrophobicContact CB-CG2 3.8Å
238	P	97.6	Very high	96.4	Very high	37 Å²	37	69 Å²	69	24%	0.24	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-55.5	138.4	174.3	-26.1	35.5	0	0	0	110.6	C221 V240 E241 V242	C221-P238 VanDerWaalsContact O-CD 3.3Å; C221-P238 WeakPolarHBondContact O-CD 3.34Å; P238-V240 HydrophobicContact CB-CG1 4.17Å; P238-V240 PolarHBondContact O-N 3.17Å; P238-V240 VanDerWaalsContact O-N 3.11Å; P238-E241 HydrophobicContact CB-CB 4.43Å; P238-E241 HydrophobicContact CB-CG 4.12Å; P238-E241 HydrophobicContact CG-CG 4.31Å; P238-E241 WeakPolarHBondContact O-CA 3.36Å; P238-E241 WeakPolarHBondContact O-CB 3.47Å; P238-E241 PolarHBondContact O-N 3.47Å; P238-V242 PolarHBondContact O-N 3.41Å; P238-V242 VanDerWaalsContact O-N 3.12Å
239	D	97.6	Very high	96.6	Very high	116 Å²	116	63.6 Å²	63.6	62%	0.62	34%	0.344	S	S	*	.	H	α-helix	trans	-58	-33.4	-174.5	-64.2	-25.4	0	0	0	112.3	R236 C237 E241 V242 A243	R236-D239 IonicContact NH2-OD1 3.76Å; C237-D239 PolarHBondContact O-N 3.03Å; D239-E241 VanDerWaalsContact C-N 3.26Å; D239-E241 PolarHBondContact O-N 3.35Å; D239-V242 PolarHBondContact O-N 2.89Å; D239-A243 PolarHBondContact O-N 3.26Å
240	V	97.9	Very high	96.9	Very high	74 Å²	74	62.3 Å²	62.3	45%	0.448	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-32.3	174	69.5	0	0	0	0	112.6	P238 R244	P238-V240 HydrophobicContact CB-CG1 4.17Å; P238-V240 PolarHBondContact O-N 3.17Å; P238-V240 VanDerWaalsContact O-N 3.11Å; V240-R244 WeakPolarHBondContact O-CB 3.44Å; V240-R244 WeakPolarHBondContact O-CD 3.38Å; V240-R244 WeakPolarHBondContact O-CG 3.3Å; V240-R244 PolarHBondContact O-N 3.19Å
241	E	98.1	Very high	97.1	Very high	10 Å²	10	59 Å²	59	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-79.5	-35.2	179	-64.9	-64	155.4	0	0	111.8	R153 Y222 P238 D239 R244 N245	R153-E241 IonicContact CZ-OE2 2.82Å; R153-E241 VanDerWaalsContact CZ-OE2 3.3Å; R153-E241 IonicContact NE-OE2 3.1Å; R153-E241 PolarHBondContact NE-OE2 3.38Å; R153-E241 PolarHBondContact NH2-O 3.49Å; R153-E241 IonicContact NH2-OE2 3.1Å; R153-E241 PolarHBondContact NH2-OE2 3.18Å; Y222-E241 HydrophobicContact CD2-CB 4.47Å; Y222-E241 HydrophobicContact CD2-CG 4.25Å; Y222-E241 WeakPolarHBondContact CD2-OE2 3.17Å; Y222-E241 HydrophobicContact CG-CG 4.3Å; P238-E241 HydrophobicContact CB-CB 4.43Å; P238-E241 HydrophobicContact CB-CG 4.12Å; P238-E241 HydrophobicContact CG-CG 4.31Å; P238-E241 WeakPolarHBondContact O-CA 3.36Å; P238-E241 WeakPolarHBondContact O-CB 3.47Å; P238-E241 PolarHBondContact O-N 3.47Å; D239-E241 VanDerWaalsContact C-N 3.26Å; D239-E241 PolarHBondContact O-N 3.35Å; E241-R244 PolarHBondContact O-N 3.04Å; E241-R244 IonicContact OE1-CZ 2.67Å; E241-R244 IonicContact OE1-NH1 2.7Å; E241-R244 PolarHBondContact OE1-NH1 3.31Å; E241-R244 WeakPolarHBondContact OE2-CD 3.48Å; E241-N245 PolarHBondContact O-N 3.43Å
242	V	98.2	Very high	97.2	Very high	40 Å²	40	50.5 Å²	50.5	24%	0.242	27%	0.273	C	S	.	.	H	α-helix	trans	-59.4	-48.2	168.3	-179.7	0	0	0	0	109.9	C237 P238 D239 R244 N245 E246	C237-V242 HydrophobicContact CB-CG2 3.8Å; P238-V242 PolarHBondContact O-N 3.41Å; P238-V242 VanDerWaalsContact O-N 3.12Å; D239-V242 PolarHBondContact O-N 2.89Å; V242-R244 VanDerWaalsContact C-N 3.32Å; V242-R244 PolarHBondContact O-N 2.56Å; V242-N245 WeakPolarHBondContact O-CB 3.5Å; V242-N245 PolarHBondContact O-N 2.98Å; V242-N245 VanDerWaalsContact O-N 3.13Å; V242-E246 PolarHBondContact O-N 3.44Å; V242-E246 VanDerWaalsContact O-N 3.1Å
243	A	98.3	Very high	97.3	Very high	52 Å²	52	49.6 Å²	49.6	43%	0.43	25%	0.253	S	S	.	.	H	α-helix	trans	-64	-33.9	176.9	0	0	0	0	0	113.2	D239 E246	D239-A243 PolarHBondContact O-N 3.26Å; A243-E246 WeakPolarHBondContact O-CB 3.3Å; A243-E246 PolarHBondContact O-N 3.38Å
244	R	98.2	Very high	97.3	Very high	51 Å²	51	50 Å²	50	19%	0.192	26%	0.256	C	S	.	.	H	α-helix	trans	-68	-38.3	172.5	-77.5	165.4	-176.4	168.2	4.6	111.6	L150 V240 E241 V242 E246 Q247	L150-R244 HydrophobicContact CD1-CB 3.75Å; L150-R244 HydrophobicContact CD1-CG 4.22Å; L150-R244 WeakPolarHBondContact CD1-O 3.47Å; V240-R244 WeakPolarHBondContact O-CB 3.44Å; V240-R244 WeakPolarHBondContact O-CD 3.38Å; V240-R244 WeakPolarHBondContact O-CG 3.3Å; V240-R244 PolarHBondContact O-N 3.19Å; E241-R244 PolarHBondContact O-N 3.04Å; E241-R244 IonicContact OE1-CZ 2.67Å; E241-R244 IonicContact OE1-NH1 2.7Å; E241-R244 PolarHBondContact OE1-NH1 3.31Å; E241-R244 WeakPolarHBondContact OE2-CD 3.48Å; V242-R244 VanDerWaalsContact C-N 3.32Å; V242-R244 PolarHBondContact O-N 2.56Å; R244-E246 VanDerWaalsContact C-N 3.26Å; R244-E246 PolarHBondContact O-N 2.8Å; R244-Q247 WeakPolarHBondContact O-CB 3.37Å; R244-Q247 PolarHBondContact O-N 2.98Å; R244-Q247 VanDerWaalsContact O-N 3.12Å
245	N	98.4	Very high	97.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65	-30.2	174.8	-73.3	-19	0	0	0	112.4	R153 D220 E241 V242 Q247 L248 W252 E284 L288	R153-N245 PolarHBondContact NH1-OD1 3.14Å; R153-N245 PolarHBondContact NH2-OD1 3.46Å; D220-N245 PolarHBondContact O-ND2 3.17Å; E241-N245 PolarHBondContact O-N 3.43Å; V242-N245 WeakPolarHBondContact O-CB 3.5Å; V242-N245 PolarHBondContact O-N 2.98Å; V242-N245 VanDerWaalsContact O-N 3.13Å; N245-Q247 VanDerWaalsContact C-N 3.28Å; N245-Q247 PolarHBondContact O-N 2.7Å; N245-L248 PolarHBondContact O-N 3.1Å; N245-L248 VanDerWaalsContact O-N 3.09Å; N245-W252 HydrophobicContact CB-CZ2 4.13Å; N245-W252 PolarHBondContact O-NE1 3.35Å; N245-E284 WeakPolarHBondContact CB-OE1 3.31Å; N245-E284 PolarHBondContact ND2-OE1 3.44Å; N245-L288 HydrophobicContact CB-CD1 3.76Å; N245-L288 HydrophobicContact CB-CD2 4.44Å
246	E	97.3	Very high	97.5	Very high	81 Å²	81	47.9 Å²	47.9	38%	0.379	24%	0.243	S	C	.	.	H	α-helix	trans	-61.1	-35.5	171.1	-66.7	-51	126.7	0	0	112.9	V242 A243 R244 L248 K249 R287	V242-E246 PolarHBondContact O-N 3.44Å; V242-E246 VanDerWaalsContact O-N 3.1Å; A243-E246 WeakPolarHBondContact O-CB 3.3Å; A243-E246 PolarHBondContact O-N 3.38Å; R244-E246 VanDerWaalsContact C-N 3.26Å; R244-E246 PolarHBondContact O-N 2.8Å; E246-L248 PolarHBondContact O-N 3.31Å; E246-K249 WeakPolarHBondContact O-CB 3.45Å; E246-K249 PolarHBondContact O-N 3.09Å; E246-K249 VanDerWaalsContact O-N 3.1Å; E246-R287 IonicContact OE1-CZ 3.7Å; E246-R287 IonicContact OE1-NH1 2.63Å; E246-R287 PolarHBondContact OE1-NH1 2.63Å; E246-R287 IonicContact OE1-NH2 3.67Å; E246-R287 PolarHBondContact OE1-NH2 3.25Å
247	Q	97.8	Very high	97.5	Very high	116 Å²	116	40.7 Å²	40.7	54%	0.542	22%	0.215	S	C	.	.	H	α-helix	trans	-65.8	-19.6	177.1	-59.4	173.5	42.5	0	0	112.5	L150 R244 N245 W250	L150-Q247 HydrophobicContact CD2-CB 4.3Å; R244-Q247 WeakPolarHBondContact O-CB 3.37Å; R244-Q247 PolarHBondContact O-N 2.98Å; R244-Q247 VanDerWaalsContact O-N 3.12Å; N245-Q247 VanDerWaalsContact C-N 3.28Å; N245-Q247 PolarHBondContact O-N 2.7Å; Q247-W250 PolarHBondContact O-NE1 3.23Å
248	L	97.9	Very high	97.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	16.3	177	-62.3	-179	0	0	0	113.2	P149 L150 F218 N245 E246 W250 L251 W252	P149-L248 HydrophobicContact CB-CD2 4.23Å; P149-L248 HydrophobicContact CG-CD1 4.24Å; P149-L248 HydrophobicContact CG-CD2 3.81Å; L150-L248 HydrophobicContact CD1-CD1 4.19Å; L150-L248 HydrophobicContact CD1-CD2 4.42Å; L150-L248 HydrophobicContact CD1-CG 4.09Å; L150-L248 HydrophobicContact CD2-CD2 3.78Å; L150-L248 HydrophobicContact CD2-CG 4.29Å; L150-L248 HydrophobicContact CG-CD1 4.29Å; L150-L248 HydrophobicContact CG-CD2 3.9Å; L150-L248 HydrophobicContact CG-CG 4.12Å; F218-L248 HydrophobicContact CD1-CD1 4.5Å; F218-L248 HydrophobicContact CE1-CD1 4.03Å; N245-L248 PolarHBondContact O-N 3.1Å; N245-L248 VanDerWaalsContact O-N 3.09Å; E246-L248 PolarHBondContact O-N 3.31Å; L248-W250 HydrophobicContact CD2-CZ2 3.68Å; L248-W250 PolarHBondContact O-N 3.42Å; L248-L251 HydrophobicContact CB-CB 4.49Å; L248-L251 VanDerWaalsContact O-CB 3.3Å; L248-L251 WeakPolarHBondContact O-CB 3.22Å; L248-L251 PolarHBondContact O-N 2.89Å; L248-W252 HydrophobicContact CB-CH2 4.03Å; L248-W252 HydrophobicContact CB-CZ2 3.38Å; L248-W252 HydrophobicContact CD1-CH2 4.08Å; L248-W252 HydrophobicContact CD1-CZ2 4.04Å; L248-W252 HydrophobicContact CG-CZ2 4.33Å; L248-W252 PolarHBondContact O-N 2.94Å; L248-W252 PolarHBondContact O-NE1 3.17Å
249	K	96.6	Very high	97.6	Very high	111 Å²	111	38.5 Å²	38.5	48%	0.483	20%	0.201	S	C	.	.	H	α-helix	trans	-47.9	-34.5	176.1	-174.6	172.8	179.8	177.7	0	114	E246 L251 W252 T253	E246-K249 WeakPolarHBondContact O-CB 3.45Å; E246-K249 PolarHBondContact O-N 3.09Å; E246-K249 VanDerWaalsContact O-N 3.1Å; K249-L251 VanDerWaalsContact C-N 3.28Å; K249-L251 PolarHBondContact O-N 2.74Å; K249-W252 VanDerWaalsContact CA-CD1 3.44Å; K249-W252 PolarHBondContact O-N 3.03Å; K249-T253 VanDerWaalsContact O-CB 3.3Å; K249-T253 WeakPolarHBondContact O-CB 3.49Å; K249-T253 PolarHBondContact O-N 2.88Å; K249-T253 PolarHBondContact O-OG1 3.43Å
250	W	96.8	Very high	97.6	Very high	33 Å²	33	33 Å²	33	13%	0.125	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-35.5	175.9	60.4	-93	0	0	0	113	P149 K194 M197 L198 Q247 L248 E254	P149-W250 HydrophobicContact CB-CH2 4.35Å; P149-W250 HydrophobicContact CB-CZ2 4.03Å; P149-W250 HydrophobicContact CG-CZ2 4.42Å; K194-W250 HydrophobicContact CB-CH2 4.34Å; K194-W250 HydrophobicContact CB-CZ2 3.92Å; K194-W250 HydrophobicContact CD-CD2 4.14Å; K194-W250 HydrophobicContact CD-CG 4.08Å; K194-W250 HydrophobicContact CG-CD2 3.77Å; K194-W250 HydrophobicContact CG-CE3 4.17Å; K194-W250 HydrophobicContact CG-CG 4.23Å; K194-W250 HydrophobicContact CG-CH2 4.3Å; K194-W250 HydrophobicContact CG-CZ2 3.9Å; K194-W250 HydrophobicContact CG-CZ3 4.42Å; M197-W250 HydrophobicContact CB-CH2 3.83Å; M197-W250 HydrophobicContact CB-CZ3 3.94Å; M197-W250 HydrophobicContact SD-CH2 4.11Å; L198-W250 HydrophobicContact CB-CE3 4.01Å; L198-W250 HydrophobicContact CB-CZ3 4.03Å; L198-W250 HydrophobicContact CD1-CE3 3.97Å; L198-W250 HydrophobicContact CG-CE3 4.46Å; Q247-W250 PolarHBondContact O-NE1 3.23Å; L248-W250 HydrophobicContact CD2-CZ2 3.68Å; L248-W250 PolarHBondContact O-N 3.42Å; W250-E254 WeakPolarHBondContact O-CB 3.42Å; W250-E254 PolarHBondContact O-N 3.05Å; W250-E254 VanDerWaalsContact O-N 3.16Å
251	L	97.7	Very high	97.7	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-73.8	-46.2	-179.4	-177	60.1	0	0	0	111	M197 F215 F218 L248 K249 T253 E254 S255	M197-L251 HydrophobicContact CE-CD1 4.22Å; M197-L251 HydrophobicContact CE-CD2 4.18Å; F215-L251 HydrophobicContact CD2-CD1 3.56Å; F215-L251 HydrophobicContact CE2-CD1 3.57Å; F218-L251 HydrophobicContact CB-CD2 4.44Å; F218-L251 HydrophobicContact CD1-CD2 3.6Å; F218-L251 HydrophobicContact CE1-CD2 4Å; F218-L251 HydrophobicContact CG-CD2 4.02Å; L248-L251 HydrophobicContact CB-CB 4.49Å; L248-L251 VanDerWaalsContact O-CB 3.3Å; L248-L251 WeakPolarHBondContact O-CB 3.22Å; L248-L251 PolarHBondContact O-N 2.89Å; K249-L251 VanDerWaalsContact C-N 3.28Å; K249-L251 PolarHBondContact O-N 2.74Å; L251-T253 VanDerWaalsContact C-N 3.28Å; L251-T253 PolarHBondContact O-N 2.88Å; L251-E254 PolarHBondContact O-N 3.28Å; L251-S255 WeakPolarHBondContact O-CB 3.29Å; L251-S255 PolarHBondContact O-N 3.01Å; L251-S255 PolarHBondContact O-OG 2.97Å
252	W	96.6	Very high	97.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-41.6	177.9	-34	140.8	0	0	0	110.6	F218 P219 N245 L248 K249 S255 L258 L288 R297	F218-W252 HydrophobicContact CB-CZ3 4Å; F218-W252 AromaticContact CD1-CH2 3.82Å; F218-W252 HydrophobicContact CD1-CH2 3.82Å; F218-W252 AromaticContact CD1-CZ3 3.96Å; F218-W252 HydrophobicContact CD1-CZ3 3.96Å; F218-W252 HydrophobicContact CG-CZ3 4.44Å; P219-W252 HydrophobicContact CB-CH2 3.77Å; P219-W252 HydrophobicContact CB-CZ2 4.29Å; P219-W252 HydrophobicContact CB-CZ3 4.17Å; N245-W252 HydrophobicContact CB-CZ2 4.13Å; N245-W252 PolarHBondContact O-NE1 3.35Å; L248-W252 HydrophobicContact CB-CH2 4.03Å; L248-W252 HydrophobicContact CB-CZ2 3.38Å; L248-W252 HydrophobicContact CD1-CH2 4.08Å; L248-W252 HydrophobicContact CD1-CZ2 4.04Å; L248-W252 HydrophobicContact CG-CZ2 4.33Å; L248-W252 PolarHBondContact O-N 2.94Å; L248-W252 PolarHBondContact O-NE1 3.17Å; K249-W252 VanDerWaalsContact CA-CD1 3.44Å; K249-W252 PolarHBondContact O-N 3.03Å; W252-S255 PolarHBondContact O-N 3.18Å; W252-L258 HydrophobicContact CE3-CD2 4.23Å; W252-L288 HydrophobicContact CD2-CB 4.48Å; W252-L288 HydrophobicContact CG-CB 4.33Å; W252-L288 HydrophobicContact CH2-CD1 4.48Å; W252-L288 HydrophobicContact CZ2-CD1 3.89Å; W252-R297 VanDerWaalsContact O-CZ 3.29Å; W252-R297 PolarHBondContact O-NE 2.91Å
253	T	94.6	Very high	97.7	Very high	52 Å²	52	28.8 Å²	28.8	32%	0.319	14%	0.144	S	C	.	.	H	α-helix	trans	-67.5	-41.3	-176.8	-55.5	0	0	0	0	111.6	K249 L251 R297	K249-T253 VanDerWaalsContact O-CB 3.3Å; K249-T253 WeakPolarHBondContact O-CB 3.49Å; K249-T253 PolarHBondContact O-N 2.88Å; K249-T253 PolarHBondContact O-OG1 3.43Å; L251-T253 VanDerWaalsContact C-N 3.28Å; L251-T253 PolarHBondContact O-N 2.88Å; T253-R297 VanDerWaalsContact CA-NH2 3.26Å; T253-R297 PolarHBondContact O-NH2 2.99Å
254	E	96.5	Very high	97.7	Very high	35 Å²	35	26.4 Å²	26.4	16%	0.164	12%	0.124	C	C	.	.	H	α-helix	trans	-78.7	-24.9	-178.7	-162	70	-132	0	0	112.8	L198 I201 R202 K205 W250 L251	L198-E254 HydrophobicContact CD1-CB 3.66Å; L198-E254 HydrophobicContact CD1-CG 3.61Å; I201-E254 HydrophobicContact CG2-CB 4.07Å; I201-E254 HydrophobicContact CG2-CG 3.5Å; I201-E254 VanDerWaalsContact CG2-CG 3.5Å; R202-E254 HydrophobicContact CG-CG 3.84Å; R202-E254 WeakPolarHBondContact CG-OE1 3.36Å; R202-E254 IonicContact CZ-OE2 3.78Å; R202-E254 VanDerWaalsContact NE-CD 3.29Å; R202-E254 IonicContact NE-OE1 3.23Å; R202-E254 IonicContact NE-OE2 2.62Å; R202-E254 PolarHBondContact NE-OE2 2.92Å; R202-E254 IonicContact NH2-OE2 2.78Å; R202-E254 PolarHBondContact NH2-OE2 3.45Å; K205-E254 WeakPolarHBondContact CE-O 3.46Å; K205-E254 WeakPolarHBondContact CE-OE1 3.49Å; K205-E254 PolarHBondContact NZ-O 3.08Å; K205-E254 IonicContact NZ-OE1 3.75Å; K205-E254 PolarHBondContact NZ-OE1 3.02Å; W250-E254 WeakPolarHBondContact O-CB 3.42Å; W250-E254 PolarHBondContact O-N 3.05Å; W250-E254 VanDerWaalsContact O-N 3.16Å; L251-E254 PolarHBondContact O-N 3.28Å
255	S	97.7	Very high	97.6	Very high	5 Å²	5	24.5 Å²	24.5	4%	0.035	12%	0.12	C	C	.	.			trans	-69.6	148.2	176.5	-59.2	0	0	0	0	112.1	I201 L251 W252 R297	I201-S255 WeakPolarHBondContact CD1-OG 3.46Å; L251-S255 WeakPolarHBondContact O-CB 3.29Å; L251-S255 PolarHBondContact O-N 3.01Å; L251-S255 PolarHBondContact O-OG 2.97Å; W252-S255 PolarHBondContact O-N 3.18Å; S255-R297 WeakPolarHBondContact O-CG 3.44Å; S255-R297 PolarHBondContact O-NE 2.72Å
256	T	97.3	Very high	97.5	Very high	27 Å²	27	29.4 Å²	29.4	17%	0.166	14%	0.142	C	C	.	.	S	Bend	trans	-102.1	-12.5	176.2	52.7	0	0	0	0	113.2	K205 L212 W213 P298	K205-T256 HydrophobicContact CD-CG2 3.63Å; K205-T256 HydrophobicContact CG-CG2 4.36Å; L212-T256 WeakPolarHBondContact CA-OG1 3.45Å; W213-T256 WeakPolarHBondContact CA-OG1 3.41Å; W213-T256 PolarHBondContact N-OG1 3.49Å; W213-T256 PolarHBondContact O-N 2.94Å; W213-T256 PolarHBondContact O-OG1 3.45Å; T256-P298 WeakPolarHBondContact O-CD 3.37Å
257	A	98.2	Very high	97.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-151.4	157.7	168.4	0	0	0	0	0	109.6	L212 W213 F259 P298 F300	L212-A257 HydrophobicContact CB-CB 3.91Å; W213-A257 PolarHBondContact O-N 3.08Å; W213-A257 VanDerWaalsContact O-N 3.14Å; A257-F259 HydrophobicContact CB-CE2 3.8Å; A257-F259 HydrophobicContact CB-CZ 3.74Å; A257-P298 VanDerWaalsContact CA-O 3.31Å; A257-P298 WeakPolarHBondContact CA-O 2.92Å; A257-P298 HydrophobicContact CB-CG 4.25Å; A257-P298 WeakPolarHBondContact CB-O 3.47Å; A257-F300 HydrophobicContact CB-CD2 3.89Å; A257-F300 HydrophobicContact CB-CE2 3.9Å
258	L	98.8	Very high	97.5	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-111	146.5	173	-57.2	-172.1	0	0	0	110.8	W252 P260 L288 A289 P298 V299 F300	W252-L258 HydrophobicContact CE3-CD2 4.23Å; L258-P260 VanDerWaalsContact C-CD 3.48Å; L258-L288 HydrophobicContact CD1-CB 4.24Å; L258-A289 HydrophobicContact CD1-CB 3.8Å; L258-A289 HydrophobicContact CG-CB 4.41Å; L258-P298 PolarHBondContact N-O 2.62Å; L258-P298 VanDerWaalsContact N-O 3.14Å; L258-V299 HydrophobicContact CB-CG2 4.38Å; L258-F300 PolarHBondContact O-N 3.44Å
259	F	98.8	Very high	97.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-130.1	60.4	-173.1	-59.3	-83.2	0	0	0	112.2	L139 V141 L217 F218 A257 F300 Y302 I335	L139-F259 HydrophobicContact CD2-CE1 4.47Å; V141-F259 HydrophobicContact CG1-CD2 4.48Å; V141-F259 HydrophobicContact CG1-CG 4.33Å; V141-F259 HydrophobicContact CG2-CD1 3.85Å; V141-F259 HydrophobicContact CG2-CD2 4.36Å; V141-F259 HydrophobicContact CG2-CE1 3.62Å; V141-F259 HydrophobicContact CG2-CE2 4.17Å; V141-F259 HydrophobicContact CG2-CG 4.21Å; V141-F259 HydrophobicContact CG2-CZ 3.8Å; L217-F259 PolarHBondContact N-O 2.93Å; F218-F259 CarbonylContact O-C 3.59Å; F218-F259 PolarHBondContact O-N 2.87Å; A257-F259 HydrophobicContact CB-CE2 3.8Å; A257-F259 HydrophobicContact CB-CZ 3.74Å; F259-F300 WeakPolarHBondContact CA-O 3.38Å; F259-F300 HydrophobicContact CD1-CB 3.76Å; F259-F300 HydrophobicContact CE1-CB 3.73Å; F259-F300 AromaticContact CE1-CD2 3.92Å; F259-F300 HydrophobicContact CE1-CD2 3.92Å; F259-F300 HydrophobicContact CE1-CG 4.09Å; F259-F300 HydrophobicContact CZ-CD2 4.31Å; F259-Y302 HydrophobicContact CB-CD2 4.09Å; F259-Y302 HydrophobicContact CB-CE2 4.13Å; F259-Y302 HydrophobicContact CD1-CD2 4.31Å; F259-Y302 AromaticContact CD1-CE2 3.87Å; F259-Y302 HydrophobicContact CD1-CE2 3.87Å; F259-Y302 HydrophobicContact CG-CE2 4.35Å; F259-I335 HydrophobicContact CD1-CD1 3.92Å; F259-I335 HydrophobicContact CE1-CD1 4.04Å
260	P	98.8	Very high	97.5	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.139	C	C	.	.			trans	-64.3	140.8	176.3	29.9	-35	0	0	0	110.4	L258 V299 V301 Y302	L258-P260 VanDerWaalsContact C-CD 3.48Å; P260-V299 HydrophobicContact CG-CG1 3.71Å; P260-V301 HydrophobicContact CG-CG2 4.3Å; P260-Y302 PolarHBondContact O-N 3.23Å
261	S	98.6	Very high	97.6	Very high	5 Å²	5	26.8 Å²	26.8	4%	0.035	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-94.1	136.9	171.6	173.2	0	0	0	0	110.2	Y263 R281	S261-Y263 VanDerWaalsContact OG-CD1 3.29Å; S261-Y263 WeakPolarHBondContact OG-CD1 3.39Å; S261-Y263 VanDerWaalsContact OG-CG 3.28Å; S261-R281 VanDerWaalsContact O-CZ 3.22Å; S261-R281 PolarHBondContact O-NE 3.43Å; S261-R281 PolarHBondContact O-NH2 3.06Å
262	V	98.7	Very high	97.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.			trans	-123.2	29	176.4	-58.2	0	0	0	0	112.2	M264 V278 R281 V282 V301 Y302	V262-M264 PolarHBondContact O-N 3.25Å; V262-M264 VanDerWaalsContact O-N 3.08Å; V262-V278 HydrophobicContact CB-CG1 4.06Å; V262-V278 HydrophobicContact CB-CG2 4.22Å; V262-V278 HydrophobicContact CG1-CG1 4.15Å; V262-V278 HydrophobicContact CG2-CG1 4.17Å; V262-R281 HydrophobicContact CG1-CB 3.83Å; V262-V282 HydrophobicContact CG1-CG2 4.04Å; V262-V301 HydrophobicContact CB-CG1 4.19Å; V262-V301 HydrophobicContact CG1-CG1 3.71Å; V262-V301 HydrophobicContact CG2-CG1 3.42Å; V262-V301 VanDerWaalsContact CG2-CG1 3.42Å; V262-Y302 WeakPolarHBondContact CG2-O 3.46Å; V262-Y302 PolarHBondContact N-O 2.99Å
263	Y	98.4	Very high	97.6	Very high	30 Å²	30	30.8 Å²	30.8	12%	0.118	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-54.1	118.2	-179.6	-61.5	-7.8	0	0	0	110.7	Y216 S261 F277 Y302 Q304 W337	Y216-Y263 WeakPolarHBondContact OH-CE2 3.39Å; S261-Y263 VanDerWaalsContact OG-CD1 3.29Å; S261-Y263 WeakPolarHBondContact OG-CD1 3.39Å; S261-Y263 VanDerWaalsContact OG-CG 3.28Å; Y263-F277 WeakPolarHBondContact O-CE1 3.46Å; Y263-Y302 WeakPolarHBondContact OH-CD1 3.48Å; Y263-Q304 HydrophobicContact CD1-CG 3.69Å; Y263-Q304 HydrophobicContact CD2-CG 4.25Å; Y263-Q304 HydrophobicContact CE1-CG 3.7Å; Y263-Q304 HydrophobicContact CE2-CG 4.26Å; Y263-Q304 VanDerWaalsContact CE2-NE2 3.34Å; Y263-Q304 HydrophobicContact CG-CG 3.98Å; Y263-W337 AromaticContact CE2-CE3 3.88Å; Y263-W337 HydrophobicContact CE2-CE3 3.88Å; Y263-W337 HydrophobicContact CE2-CZ3 4.13Å; Y263-W337 AromaticContact CZ-CE3 3.75Å; Y263-W337 WeakPolarHBondContact OH-CB 3.43Å; Y263-W337 VanDerWaalsContact OH-CE3 3.26Å
264	M	98	Very high	97.7	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-91.1	123.9	-173.2	-177	179.5	-72.6	0	0	110.2	V262 L268 G274 V278 Y307 A308 D318 T322	V262-M264 PolarHBondContact O-N 3.25Å; V262-M264 VanDerWaalsContact O-N 3.08Å; M264-L268 HydrophobicContact CG-CB 3.88Å; M264-L268 HydrophobicContact CG-CD1 4.39Å; M264-L268 HydrophobicContact SD-CB 4.35Å; M264-G274 WeakPolarHBondContact CE-O 3.49Å; M264-V278 HydrophobicContact CE-CG2 3.82Å; M264-Y307 HydrophobicContact CB-CD1 4.49Å; M264-Y307 HydrophobicContact CG-CD1 4.24Å; M264-Y307 HydrophobicContact CG-CE1 4.43Å; M264-Y307 CarbonylContact O-C 3.54Å; M264-Y307 VanDerWaalsContact O-CA 3.3Å; M264-Y307 WeakPolarHBondContact O-CA 3.43Å; M264-Y307 WeakPolarHBondContact O-CB 3.19Å; M264-Y307 HydrophobicContact SD-CD1 4.46Å; M264-Y307 HydrophobicContact SD-CE1 4.06Å; M264-A308 PolarHBondContact O-N 2.72Å; M264-D318 HydrophobicContact SD-CB 4Å; M264-T322 HydrophobicContact CB-CG2 4.36Å; M264-T322 HydrophobicContact CE-CG2 3.71Å
265	G	96.8	Very high	97.8	Very high	12 Å²	12	28.2 Å²	28.2	12%	0.124	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-74.6	150.5	172.6	0	0	0	0	0	112.4	V267 L268	G265-V267 PolarHBondContact O-N 3.17Å; G265-V267 VanDerWaalsContact O-N 3.11Å; G265-L268 WeakPolarHBondContact O-CB 3.5Å; G265-L268 PolarHBondContact O-N 3.26Å
266	K	96.3	Very high	97.8	Very high	103 Å²	103	30.2 Å²	30.2	45%	0.448	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-55.7	-29.7	-179.2	-72.4	-169.2	-73.4	-172.2	0	115	L268 R269 Y307 S310 E312	K266-L268 PolarHBondContact O-N 3.14Å; K266-L268 VanDerWaalsContact O-N 3.15Å; K266-R269 WeakPolarHBondContact O-CB 3.07Å; K266-R269 PolarHBondContact O-N 3.49Å; K266-Y307 VanDerWaalsContact CG-CB 3.41Å; K266-Y307 HydrophobicContact CG-CD1 4.45Å; K266-Y307 HydrophobicContact CG-CD2 3.9Å; K266-Y307 HydrophobicContact CG-CG 3.67Å; K266-S310 WeakPolarHBondContact CD-OG 3.19Å; K266-S310 WeakPolarHBondContact CE-OG 3.17Å; K266-S310 PolarHBondContact NZ-OG 2.73Å; K266-E312 HydrophobicContact CD-CB 4.44Å; K266-E312 WeakPolarHBondContact CD-OE2 3.39Å
267	V	96.4	Very high	97.9	Very high	85 Å²	85	29 Å²	29	52%	0.515	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-61.1	-21.3	176.6	68	0	0	0	0	112.9	Y226 G265	Y226-V267 HydrophobicContact CD2-CG1 3.47Å; Y226-V267 VanDerWaalsContact CD2-CG1 3.47Å; Y226-V267 HydrophobicContact CE2-CG1 3.56Å; G265-V267 PolarHBondContact O-N 3.17Å; G265-V267 VanDerWaalsContact O-N 3.11Å
268	L	97.6	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-96	0.8	179.1	-63.6	176.7	0	0	0	113.5	Y226 L230 M264 G265 K266 S270 S271 P273 F277	Y226-L268 HydrophobicContact CD1-CD1 4.07Å; Y226-L268 HydrophobicContact CD1-CD2 4.37Å; Y226-L268 HydrophobicContact CD2-CD1 4.39Å; Y226-L268 HydrophobicContact CD2-CD2 4.18Å; Y226-L268 HydrophobicContact CD2-CG 4.21Å; Y226-L268 HydrophobicContact CE1-CD1 3.94Å; Y226-L268 HydrophobicContact CE2-CD1 4.29Å; Y226-L268 HydrophobicContact CE2-CG 4.38Å; Y226-L268 HydrophobicContact CG-CD1 4.31Å; Y226-L268 HydrophobicContact CG-CD2 3.96Å; Y226-L268 HydrophobicContact CG-CG 4.34Å; L230-L268 HydrophobicContact CD2-CD2 3.96Å; M264-L268 HydrophobicContact CG-CB 3.88Å; M264-L268 HydrophobicContact CG-CD1 4.39Å; M264-L268 HydrophobicContact SD-CB 4.35Å; G265-L268 WeakPolarHBondContact O-CB 3.5Å; G265-L268 PolarHBondContact O-N 3.26Å; K266-L268 PolarHBondContact O-N 3.14Å; K266-L268 VanDerWaalsContact O-N 3.15Å; L268-S270 PolarHBondContact O-N 3.35Å; L268-S271 WeakPolarHBondContact O-CB 3.46Å; L268-S271 PolarHBondContact O-N 3.41Å; L268-S271 PolarHBondContact O-OG 2.93Å; L268-P273 HydrophobicContact CD2-CB 3.91Å; L268-F277 HydrophobicContact CD1-CB 3.79Å; L268-F277 HydrophobicContact CD1-CD1 3.89Å; L268-F277 HydrophobicContact CD1-CD2 4.24Å; L268-F277 HydrophobicContact CD1-CG 3.7Å
269	R	97.7	Very high	97.9	Very high	122 Å²	122	29.7 Å²	29.7	46%	0.46	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	131.5	-174.8	169.1	162.5	-170.7	-142.4	-7.8	112.5	K266 S271 Y307 E312	K266-R269 WeakPolarHBondContact O-CB 3.07Å; K266-R269 PolarHBondContact O-N 3.49Å; R269-S271 PolarHBondContact O-N 3.49Å; R269-S271 VanDerWaalsContact O-N 3.13Å; R269-Y307 HydrophobicContact CB-CE1 3.85Å; R269-Y307 WeakPolarHBondContact CD-OH 2.99Å; R269-Y307 HydrophobicContact CG-CE1 4.23Å; R269-Y307 HydrophobicContact CG-CE2 4.33Å; R269-Y307 VanDerWaalsContact CG-OH 3.22Å; R269-Y307 WeakPolarHBondContact CG-OH 3.29Å; R269-E312 IonicContact CZ-OE1 3.65Å; R269-E312 IonicContact NE-OE1 3.25Å; R269-E312 PolarHBondContact NE-OE1 2.57Å; R269-E312 IonicContact NH1-OE1 2.81Å; R269-E312 PolarHBondContact NH1-OE1 3.35Å
270	S	98	Very high	97.9	Very high	54 Å²	54	30.5 Å²	30.5	38%	0.378	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	39	173.5	-50.4	0	0	0	0	113.5	L268 T315 F317 D318	L268-S270 PolarHBondContact O-N 3.35Å; S270-T315 WeakPolarHBondContact OG-CG2 3.49Å; S270-T315 PolarHBondContact OG-OG1 3.4Å; S270-F317 VanDerWaalsContact C-CE1 3.46Å; S270-F317 VanDerWaalsContact CA-CD1 3.45Å; S270-D318 WeakPolarHBondContact CA-OD1 3.13Å; S270-D318 VanDerWaalsContact N-CG 3.28Å; S270-D318 PolarHBondContact N-OD1 2.91Å; S270-D318 PolarHBondContact N-OD2 3.32Å; S270-D318 PolarHBondContact OG-OD2 3.01Å
271	S	97.3	Very high	97.9	Very high	26 Å²	26	31 Å²	31	18%	0.182	16%	0.162	C	C	.	.	S	Bend	trans	-130.3	151.5	-170.2	80.8	0	0	0	0	113.1	L268 R269 G274 R275	L268-S271 WeakPolarHBondContact O-CB 3.46Å; L268-S271 PolarHBondContact O-N 3.41Å; L268-S271 PolarHBondContact O-OG 2.93Å; R269-S271 PolarHBondContact O-N 3.49Å; R269-S271 VanDerWaalsContact O-N 3.13Å; S271-G274 PolarHBondContact O-N 3.45Å; S271-G274 VanDerWaalsContact O-N 3.11Å; S271-G274 PolarHBondContact OG-N 3.05Å; S271-G274 VanDerWaalsContact OG-N 3.1Å; S271-R275 PolarHBondContact O-N 2.84Å
272	S	96.7	Very high	97.9	Very high	58 Å²	58	30.7 Å²	30.7	41%	0.406	16%	0.16	S	C	.	.	H	α-helix	trans	-58.3	-42.1	171.3	179.2	0	0	0	0	112.6	G274 R275 Q276	S272-G274 VanDerWaalsContact C-N 3.27Å; S272-G274 PolarHBondContact O-N 2.88Å; S272-R275 WeakPolarHBondContact O-CB 3.48Å; S272-R275 PolarHBondContact O-N 3.39Å; S272-R275 VanDerWaalsContact O-N 3.16Å; S272-Q276 WeakPolarHBondContact O-CG 3.45Å; S272-Q276 PolarHBondContact O-N 3.04Å; S272-Q276 PolarHBondContact OG-NE2 2.97Å
273	P	97.8	Very high	97.9	Very high	27 Å²	27	33.4 Å²	33.4	18%	0.175	17%	0.172	C	C	.	.	H	α-helix	trans	-52	-40.3	169.3	-33.1	38.8	0	0	0	114.7	L230 Y233 L268 Q276 F277	L230-P273 HydrophobicContact CD2-CB 3.82Å; L230-P273 HydrophobicContact CD2-CG 4.17Å; Y233-P273 HydrophobicContact CD1-CB 3.84Å; Y233-P273 HydrophobicContact CE1-CB 4.24Å; L268-P273 HydrophobicContact CD2-CB 3.91Å; P273-Q276 PolarHBondContact O-N 2.89Å; P273-F277 WeakPolarHBondContact O-CB 3.42Å; P273-F277 PolarHBondContact O-N 3.33Å
274	G	98	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.7	-43.8	176.8	0	0	0	0	0	113.1	M264 S271 S272 F277 V278	M264-G274 WeakPolarHBondContact CE-O 3.49Å; S271-G274 PolarHBondContact O-N 3.45Å; S271-G274 VanDerWaalsContact O-N 3.11Å; S271-G274 PolarHBondContact OG-N 3.05Å; S271-G274 VanDerWaalsContact OG-N 3.1Å; S272-G274 VanDerWaalsContact C-N 3.27Å; S272-G274 PolarHBondContact O-N 2.88Å; G274-F277 WeakPolarHBondContact O-CB 3.25Å; G274-F277 PolarHBondContact O-N 2.87Å; G274-V278 PolarHBondContact O-N 3.21Å
275	R	98.3	Very high	98	Very high	32 Å²	32	32.4 Å²	32.4	12%	0.121	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-45.5	172.2	-175.3	-172.3	-59.3	169.4	2.2	112.1	S271 S272 F277 V278 R279 D393 Y395	S271-R275 PolarHBondContact O-N 2.84Å; S272-R275 WeakPolarHBondContact O-CB 3.48Å; S272-R275 PolarHBondContact O-N 3.39Å; S272-R275 VanDerWaalsContact O-N 3.16Å; R275-F277 VanDerWaalsContact C-N 3.32Å; R275-F277 PolarHBondContact O-N 2.97Å; R275-V278 PolarHBondContact O-N 2.75Å; R275-R279 VanDerWaalsContact O-CB 3.27Å; R275-R279 WeakPolarHBondContact O-CB 3.42Å; R275-R279 PolarHBondContact O-N 2.92Å; R275-D393 WeakPolarHBondContact CD-OD1 3.46Å; R275-D393 IonicContact CZ-OD2 2.64Å; R275-D393 IonicContact NH1-OD1 3.54Å; R275-D393 IonicContact NH1-OD2 2.74Å; R275-D393 PolarHBondContact NH1-OD2 2.82Å; R275-Y395 WeakPolarHBondContact CD-OH 3.4Å; R275-Y395 PolarHBondContact NE-OH 2.7Å; R275-Y395 VanDerWaalsContact NE-OH 3.09Å
276	Q	98.3	Very high	98	Very high	48 Å²	48	33.2 Å²	33.2	22%	0.224	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-36.7	179.3	-68.3	175.3	39.2	0	0	112.2	Y233 T234 S272 P273 N280	Y233-Q276 PolarHBondContact O-OE1 3.22Å; T234-Q276 PolarHBondContact O-OE1 3.29Å; T234-Q276 VanDerWaalsContact O-OE1 3.07Å; S272-Q276 WeakPolarHBondContact O-CG 3.45Å; S272-Q276 PolarHBondContact O-N 3.04Å; S272-Q276 PolarHBondContact OG-NE2 2.97Å; P273-Q276 PolarHBondContact O-N 2.89Å; Q276-N280 PolarHBondContact O-N 2.79Å; Q276-N280 PolarHBondContact O-ND2 3.3Å
277	F	98.7	Very high	98	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-57.5	-49.5	173.4	167.3	-100.2	0	0	0	111.3	N223 H224 Y226 Y233 Y263 L268 P273 G274 R275 R281	N223-F277 PolarHBondContact ND2-O 2.89Å; N223-F277 WeakPolarHBondContact OD1-CD2 3.2Å; N223-F277 WeakPolarHBondContact OD1-CE2 3.19Å; H224-F277 AromaticContact CE1-CE2 3.84Å; H224-F277 AromaticContact ND1-CE2 3.89Å; Y226-F277 HydrophobicContact CD1-CD2 4.21Å; Y226-F277 AromaticContact CE1-CD2 3.75Å; Y226-F277 HydrophobicContact CE1-CD2 3.75Å; Y226-F277 AromaticContact CE1-CE2 3.75Å; Y226-F277 HydrophobicContact CE1-CE2 3.75Å; Y233-F277 HydrophobicContact CE1-CB 4.4Å; Y233-F277 WeakPolarHBondContact OH-CD2 3.3Å; Y263-F277 WeakPolarHBondContact O-CE1 3.46Å; L268-F277 HydrophobicContact CD1-CB 3.79Å; L268-F277 HydrophobicContact CD1-CD1 3.89Å; L268-F277 HydrophobicContact CD1-CD2 4.24Å; L268-F277 HydrophobicContact CD1-CG 3.7Å; P273-F277 WeakPolarHBondContact O-CB 3.42Å; P273-F277 PolarHBondContact O-N 3.33Å; G274-F277 WeakPolarHBondContact O-CB 3.25Å; G274-F277 PolarHBondContact O-N 2.87Å; R275-F277 VanDerWaalsContact C-N 3.32Å; R275-F277 PolarHBondContact O-N 2.97Å; F277-R281 VanDerWaalsContact CZ-CD 3.43Å; F277-R281 WeakPolarHBondContact O-CD 3.37Å; F277-R281 VanDerWaalsContact O-CG 3.24Å; F277-R281 WeakPolarHBondContact O-CG 3.39Å; F277-R281 PolarHBondContact O-N 3.24Å
278	V	98.8	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.3	-50.5	178.3	176.3	0	0	0	0	111.3	V262 M264 G274 R275 N280 R281 V282 S321 T322 E325	V262-V278 HydrophobicContact CB-CG1 4.06Å; V262-V278 HydrophobicContact CB-CG2 4.22Å; V262-V278 HydrophobicContact CG1-CG1 4.15Å; V262-V278 HydrophobicContact CG2-CG1 4.17Å; M264-V278 HydrophobicContact CE-CG2 3.82Å; G274-V278 PolarHBondContact O-N 3.21Å; R275-V278 PolarHBondContact O-N 2.75Å; V278-N280 VanDerWaalsContact C-N 3.27Å; V278-N280 PolarHBondContact O-N 2.86Å; V278-R281 WeakPolarHBondContact O-CB 3.48Å; V278-R281 PolarHBondContact O-N 3.12Å; V278-V282 HydrophobicContact CG1-CG2 4Å; V278-V282 WeakPolarHBondContact O-CG2 3.48Å; V278-V282 PolarHBondContact O-N 3.33Å; V278-S321 WeakPolarHBondContact CB-O 3.3Å; V278-S321 WeakPolarHBondContact CG1-O 3.48Å; V278-S321 WeakPolarHBondContact CG2-O 3.41Å; V278-T322 HydrophobicContact CG2-CG2 3.93Å; V278-E325 HydrophobicContact CB-CG 4.49Å; V278-E325 HydrophobicContact CG1-CB 4.17Å; V278-E325 HydrophobicContact CG1-CG 4.11Å
279	R	98.8	Very high	98	Very high	16 Å²	16	28.9 Å²	28.9	6%	0.06	14%	0.141	C	C	.	.	H	α-helix	trans	-46.4	-52.3	-177.7	174.1	170.6	-67	153.6	15.2	111.4	R275 V282 K283 E325 L329 D391 D393	R275-R279 VanDerWaalsContact O-CB 3.27Å; R275-R279 WeakPolarHBondContact O-CB 3.42Å; R275-R279 PolarHBondContact O-N 2.92Å; R279-V282 PolarHBondContact O-N 3.26Å; R279-K283 HydrophobicContact CG-CD 3.79Å; R279-K283 HydrophobicContact CG-CG 4.41Å; R279-K283 WeakPolarHBondContact O-CB 3.46Å; R279-K283 VanDerWaalsContact O-CG 3.26Å; R279-K283 WeakPolarHBondContact O-CG 3.15Å; R279-K283 PolarHBondContact O-N 2.87Å; R279-E325 HydrophobicContact CB-CG 4.02Å; R279-E325 VanDerWaalsContact CB-OE1 3.22Å; R279-E325 WeakPolarHBondContact CB-OE1 3.27Å; R279-E325 VanDerWaalsContact CG-OE1 3.24Å; R279-E325 WeakPolarHBondContact CG-OE1 3.21Å; R279-E325 IonicContact CZ-OE1 2.66Å; R279-E325 IonicContact CZ-OE2 3.28Å; R279-E325 IonicContact NE-OE1 3.01Å; R279-E325 PolarHBondContact NE-OE1 2.82Å; R279-E325 IonicContact NE-OE2 2.82Å; R279-E325 IonicContact NH2-OE1 3.69Å; R279-E325 PolarHBondContact NH2-OE1 3.01Å; R279-E325 IonicContact NH2-OE2 3.96Å; R279-E325 PolarHBondContact NH2-OE2 2.63Å; R279-L329 HydrophobicContact CG-CD1 4.42Å; R279-D391 PolarHBondContact NH1-O 2.77Å; R279-D393 IonicContact CZ-OD1 3.28Å; R279-D393 VanDerWaalsContact CZ-OD1 3.23Å; R279-D393 IonicContact NH1-OD1 2.86Å; R279-D393 PolarHBondContact NH1-OD1 2.86Å; R279-D393 IonicContact NH2-OD1 2.84Å; R279-D393 PolarHBondContact NH2-OD1 2.79Å
280	N	98.7	Very high	97.8	Very high	18 Å²	18	25.1 Å²	25.1	10%	0.096	13%	0.133	C	C	.	.	H	α-helix	trans	-71.9	-32.1	-175.3	-74.5	-78.3	0	0	0	113.1	T234 G235 Q276 V278 K283 E284	T234-N280 PolarHBondContact O-ND2 3.04Å; G235-N280 WeakPolarHBondContact O-CB 3.5Å; G235-N280 VanDerWaalsContact O-CG 3.31Å; G235-N280 PolarHBondContact O-ND2 3.34Å; Q276-N280 PolarHBondContact O-N 2.79Å; Q276-N280 PolarHBondContact O-ND2 3.3Å; V278-N280 VanDerWaalsContact C-N 3.27Å; V278-N280 PolarHBondContact O-N 2.86Å; N280-K283 PolarHBondContact O-N 3.06Å; N280-E284 WeakPolarHBondContact O-CB 3.5Å; N280-E284 PolarHBondContact O-N 3.43Å
281	R	98.9	Very high	97.2	Very high	10 Å²	10	23.4 Å²	23.4	4%	0.038	12%	0.121	C	C	.	.	H	α-helix	trans	-65.7	-43.7	173.5	-69	174.7	81.6	78.4	6.7	111.6	D220 C221 N223 S261 V262 F277 V278 E284 G285	D220-R281 IonicContact OD1-CZ 2.82Å; D220-R281 VanDerWaalsContact OD1-CZ 3.24Å; D220-R281 IonicContact OD1-NH1 3.68Å; D220-R281 PolarHBondContact OD1-NH1 3.05Å; D220-R281 IonicContact OD1-NH2 3.64Å; D220-R281 PolarHBondContact OD1-NH2 3.03Å; D220-R281 IonicContact OD2-NH2 3.61Å; C221-R281 HydrophobicContact CB-CB 4.34Å; C221-R281 HydrophobicContact CB-CG 3.57Å; N223-R281 WeakPolarHBondContact OD1-CG 3.28Å; N223-R281 PolarHBondContact OD1-NH1 2.99Å; N223-R281 VanDerWaalsContact OD1-NH1 3.14Å; S261-R281 VanDerWaalsContact O-CZ 3.22Å; S261-R281 PolarHBondContact O-NE 3.43Å; S261-R281 PolarHBondContact O-NH2 3.06Å; V262-R281 HydrophobicContact CG1-CB 3.83Å; F277-R281 VanDerWaalsContact CZ-CD 3.43Å; F277-R281 WeakPolarHBondContact O-CD 3.37Å; F277-R281 VanDerWaalsContact O-CG 3.24Å; F277-R281 WeakPolarHBondContact O-CG 3.39Å; F277-R281 PolarHBondContact O-N 3.24Å; V278-R281 WeakPolarHBondContact O-CB 3.48Å; V278-R281 PolarHBondContact O-N 3.12Å; R281-E284 PolarHBondContact O-N 2.88Å; R281-G285 PolarHBondContact O-N 2.76Å
282	V	98.8	Very high	96.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.7	-44.5	175.9	-179.1	0	0	0	0	110.6	V262 V278 R279 E284 G285 M286 V301 S326 L329	V262-V282 HydrophobicContact CG1-CG2 4.04Å; V278-V282 HydrophobicContact CG1-CG2 4Å; V278-V282 WeakPolarHBondContact O-CG2 3.48Å; V278-V282 PolarHBondContact O-N 3.33Å; R279-V282 PolarHBondContact O-N 3.26Å; V282-E284 VanDerWaalsContact C-N 3.3Å; V282-E284 PolarHBondContact O-N 2.75Å; V282-G285 CarbonylContact O-C 3.55Å; V282-G285 WeakPolarHBondContact O-CA 3.49Å; V282-G285 PolarHBondContact O-N 3.3Å; V282-G285 VanDerWaalsContact O-N 3.12Å; V282-M286 HydrophobicContact CG1-CG 4.14Å; V282-M286 WeakPolarHBondContact O-CG 3.09Å; V282-M286 PolarHBondContact O-N 3.38Å; V282-V301 HydrophobicContact CG2-CG1 4.44Å; V282-V301 HydrophobicContact CG2-CG2 4.2Å; V282-S326 WeakPolarHBondContact CG2-OG 3.05Å; V282-L329 HydrophobicContact CB-CD1 3.71Å; V282-L329 HydrophobicContact CG1-CB 3.75Å; V282-L329 HydrophobicContact CG1-CD1 3.71Å; V282-L329 HydrophobicContact CG1-CG 4.4Å
283	K	98.4	Very high	95	Very high	57 Å²	57	27 Å²	27	25%	0.248	14%	0.14	C	C	.	.	H	α-helix	trans	-55.4	-44.2	175.3	-76.7	174.2	71.9	-179.3	0	111.9	R279 N280 M286 R287 L329 P390 D391	R279-K283 HydrophobicContact CG-CD 3.79Å; R279-K283 HydrophobicContact CG-CG 4.41Å; R279-K283 WeakPolarHBondContact O-CB 3.46Å; R279-K283 VanDerWaalsContact O-CG 3.26Å; R279-K283 WeakPolarHBondContact O-CG 3.15Å; R279-K283 PolarHBondContact O-N 2.87Å; N280-K283 PolarHBondContact O-N 3.06Å; K283-M286 PolarHBondContact O-N 3.12Å; K283-R287 VanDerWaalsContact O-CB 3.28Å; K283-R287 WeakPolarHBondContact O-CB 3.25Å; K283-R287 PolarHBondContact O-N 3.1Å; K283-L329 HydrophobicContact CG-CD1 4.14Å; K283-L329 HydrophobicContact CG-CD2 4.13Å; K283-P390 HydrophobicContact CD-CB 4.28Å; K283-D391 IonicContact NZ-OD1 3.23Å; K283-D391 PolarHBondContact NZ-OD1 3.31Å; K283-D391 IonicContact NZ-OD2 2.92Å; K283-D391 PolarHBondContact NZ-OD2 3.43Å
284	E	98.7	Very high	94.3	Very high	11 Å²	11	32.4 Å²	32.4	5%	0.051	16%	0.163	C	C	.	.	H	α-helix	trans	-65.7	-40.7	177	-177.5	63.6	176.4	0	0	112	P219 N245 N280 R281 V282 R287 L288	P219-E284 HydrophobicContact CB-CG 4.48Å; P219-E284 HydrophobicContact CG-CG 4.39Å; N245-E284 WeakPolarHBondContact CB-OE1 3.31Å; N245-E284 PolarHBondContact ND2-OE1 3.44Å; N280-E284 WeakPolarHBondContact O-CB 3.5Å; N280-E284 PolarHBondContact O-N 3.43Å; R281-E284 PolarHBondContact O-N 2.88Å; V282-E284 VanDerWaalsContact C-N 3.3Å; V282-E284 PolarHBondContact O-N 2.75Å; E284-R287 PolarHBondContact O-N 3.39Å; E284-R287 IonicContact OE1-CZ 2.66Å; E284-R287 IonicContact OE1-NE 3.3Å; E284-R287 IonicContact OE1-NH2 3.09Å; E284-R287 PolarHBondContact OE1-NH2 2.78Å; E284-R287 IonicContact OE2-CZ 2.71Å; E284-R287 IonicContact OE2-NE 2.78Å; E284-R287 PolarHBondContact OE2-NE 3.39Å; E284-R287 IonicContact OE2-NH2 3.12Å; E284-R287 PolarHBondContact OE2-NH2 2.95Å; E284-L288 HydrophobicContact CG-CD1 3.95Å; E284-L288 WeakPolarHBondContact O-CB 3.36Å; E284-L288 WeakPolarHBondContact O-CG 3.46Å; E284-L288 PolarHBondContact O-N 3.39Å; E284-L288 WeakPolarHBondContact OE1-CD1 3.06Å
285	G	98.3	Very high	94	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-54.9	-51.5	170.1	0	0	0	0	0	112.9	R281 V282 L288 A289	R281-G285 PolarHBondContact O-N 2.76Å; V282-G285 CarbonylContact O-C 3.55Å; V282-G285 WeakPolarHBondContact O-CA 3.49Å; V282-G285 PolarHBondContact O-N 3.3Å; V282-G285 VanDerWaalsContact O-N 3.12Å; G285-L288 PolarHBondContact O-N 3.48Å; G285-A289 VanDerWaalsContact O-CB 3.26Å; G285-A289 WeakPolarHBondContact O-CB 3.45Å; G285-A289 PolarHBondContact O-N 2.84Å
286	M	97.8	Very high	93.9	Very high	29 Å²	29	33.6 Å²	33.6	14%	0.143	17%	0.174	C	C	.	.	H	α-helix	trans	-65.8	-39.4	-179.7	-64.2	-57.7	-69.3	0	0	112.3	V282 K283 A289 S290 V299	V282-M286 HydrophobicContact CG1-CG 4.14Å; V282-M286 WeakPolarHBondContact O-CG 3.09Å; V282-M286 PolarHBondContact O-N 3.38Å; K283-M286 PolarHBondContact O-N 3.12Å; M286-A289 PolarHBondContact O-N 2.76Å; M286-S290 PolarHBondContact O-N 2.94Å; M286-S290 PolarHBondContact O-OG 3.03Å; M286-V299 HydrophobicContact SD-CB 3.77Å; M286-V299 HydrophobicContact SD-CG1 4.38Å; M286-V299 HydrophobicContact SD-CG2 3.55Å; M286-V299 VanDerWaalsContact SD-CG2 3.55Å
287	R	96.9	Very high	93.8	Very high	96 Å²	96	32.9 Å²	32.9	36%	0.362	17%	0.169	S	C	.	.	H	α-helix	trans	-60.8	-49.1	176.3	-170.4	-171.2	70.9	76.2	-3.6	110.9	E246 K283 E284 S290	E246-R287 IonicContact OE1-CZ 3.7Å; E246-R287 IonicContact OE1-NH1 2.63Å; E246-R287 PolarHBondContact OE1-NH1 2.63Å; E246-R287 IonicContact OE1-NH2 3.67Å; E246-R287 PolarHBondContact OE1-NH2 3.25Å; K283-R287 VanDerWaalsContact O-CB 3.28Å; K283-R287 WeakPolarHBondContact O-CB 3.25Å; K283-R287 PolarHBondContact O-N 3.1Å; E284-R287 PolarHBondContact O-N 3.39Å; E284-R287 IonicContact OE1-CZ 2.66Å; E284-R287 IonicContact OE1-NE 3.3Å; E284-R287 IonicContact OE1-NH2 3.09Å; E284-R287 PolarHBondContact OE1-NH2 2.78Å; E284-R287 IonicContact OE2-CZ 2.71Å; E284-R287 IonicContact OE2-NE 2.78Å; E284-R287 PolarHBondContact OE2-NE 3.39Å; E284-R287 IonicContact OE2-NH2 3.12Å; E284-R287 PolarHBondContact OE2-NH2 2.95Å; R287-S290 WeakPolarHBondContact O-CB 3.41Å; R287-S290 PolarHBondContact O-N 2.84Å
288	L	97.4	Very high	93.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-74.5	-29.6	-178.4	-68.9	171.7	0	0	0	112.9	P219 N245 W252 L258 E284 G285 S290 S291	P219-L288 HydrophobicContact CB-CD1 3.41Å; P219-L288 VanDerWaalsContact CB-CD1 3.41Å; P219-L288 HydrophobicContact CG-CD1 3.69Å; N245-L288 HydrophobicContact CB-CD1 3.76Å; N245-L288 HydrophobicContact CB-CD2 4.44Å; W252-L288 HydrophobicContact CD2-CB 4.48Å; W252-L288 HydrophobicContact CG-CB 4.33Å; W252-L288 HydrophobicContact CH2-CD1 4.48Å; W252-L288 HydrophobicContact CZ2-CD1 3.89Å; L258-L288 HydrophobicContact CD1-CB 4.24Å; E284-L288 HydrophobicContact CG-CD1 3.95Å; E284-L288 WeakPolarHBondContact O-CB 3.36Å; E284-L288 WeakPolarHBondContact O-CG 3.46Å; E284-L288 PolarHBondContact O-N 3.39Å; E284-L288 WeakPolarHBondContact OE1-CD1 3.06Å; G285-L288 PolarHBondContact O-N 3.48Å; L288-S290 PolarHBondContact O-N 2.89Å; L288-S291 WeakPolarHBondContact O-CB 3.26Å; L288-S291 PolarHBondContact O-N 3.13Å; L288-S291 PolarHBondContact O-OG 2.87Å
289	A	96.6	Very high	93.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-29	172.2	0	0	0	0	0	112.8	L258 G285 M286 S291 A296 R297 V299	L258-A289 HydrophobicContact CD1-CB 3.8Å; L258-A289 HydrophobicContact CG-CB 4.41Å; G285-A289 VanDerWaalsContact O-CB 3.26Å; G285-A289 WeakPolarHBondContact O-CB 3.45Å; G285-A289 PolarHBondContact O-N 2.84Å; M286-A289 PolarHBondContact O-N 2.76Å; A289-S291 VanDerWaalsContact C-N 3.29Å; A289-A296 WeakPolarHBondContact O-CA 3.43Å; A289-R297 HydrophobicContact CB-CB 4.4Å; A289-R297 WeakPolarHBondContact CB-O 3.45Å; A289-R297 WeakPolarHBondContact O-CD 3.12Å; A289-R297 PolarHBondContact O-N 2.86Å; A289-V299 HydrophobicContact CB-CG2 3.53Å
290	S	93.1	Very high	93.7	Very high	42 Å²	42	32.7 Å²	32.7	29%	0.294	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.6	177	-54.8	0	0	0	0	113.6	K34 M286 R287 L288	K34-S290 PolarHBondContact NZ-O 2.98Å; M286-S290 PolarHBondContact O-N 2.94Å; M286-S290 PolarHBondContact O-OG 3.03Å; R287-S290 WeakPolarHBondContact O-CB 3.41Å; R287-S290 PolarHBondContact O-N 2.84Å; L288-S290 PolarHBondContact O-N 2.89Å
291	S	85.6	Confident	93.7	Very high	18 Å²	18	31.9 Å²	31.9	13%	0.126	17%	0.165	C	C	.	.			trans	-58.7	159.1	171	-59.2	0	0	0	0	110.9	L288 A289 R297	L288-S291 WeakPolarHBondContact O-CB 3.26Å; L288-S291 PolarHBondContact O-N 3.13Å; L288-S291 PolarHBondContact O-OG 2.87Å; A289-S291 VanDerWaalsContact C-N 3.29Å; S291-R297 PolarHBondContact O-NH1 3.03Å
292	G	77.8	Confident	93.7	Very high	27 Å²	27	31.4 Å²	31.4	28%	0.278	16%	0.164	S	C	.	.	S	Bend	trans	73	-153.5	175.2	0	0	0	0	0	114.3	K34	K34-G292 PolarHBondContact NZ-O 3.38Å
293	D	70.5	Confident	93.7	Very high	133 Å²	133	31.5 Å²	31.5	71%	0.711	17%	0.165	S	C	*	.	S	Bend	trans	-70.3	-165.9	-165.7	-54.7	-29.9	0	0	0	114	K34 V295	K34-D293 PolarHBondContact NZ-O 3.28Å; D293-V295 VanDerWaalsContact C-N 3.27Å; D293-V295 PolarHBondContact O-N 2.97Å; D293-V295 VanDerWaalsContact O-N 3.12Å
294	E	81.7	Confident	93.7	Very high	141 Å²	141	29.6 Å²	29.6	66%	0.659	16%	0.156	S	C	*	.	S	Bend	trans	-57.8	-27.7	-164.1	-63.7	175.8	169	0	0	115.1
295	V	91.6	Very high	93.6	Very high	55 Å²	55	29 Å²	29	33%	0.333	15%	0.154	S	C	.	.	S	Bend	trans	-110.7	125.1	-174.7	-176.6	0	0	0	0	111.9	P35 R37 D293 S436	P35-V295 CarbonylContact O-C 3.47Å; P35-V295 WeakPolarHBondContact O-CA 3.39Å; R37-V295 HydrophobicContact CG-CG1 4.14Å; D293-V295 VanDerWaalsContact C-N 3.27Å; D293-V295 PolarHBondContact O-N 2.97Å; D293-V295 VanDerWaalsContact O-N 3.12Å; V295-S436 WeakPolarHBondContact CG1-OG 3.22Å
296	A	95.8	Very high	93.6	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.017	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-70.5	138.9	173.4	0	0	0	0	0	111.8	K34 P35 T36 A289	K34-A296 HydrophobicContact CB-CB 4.14Å; P35-A296 PolarHBondContact O-N 3.48Å; T36-A296 WeakPolarHBondContact CA-O 3.46Å; T36-A296 PolarHBondContact OG1-O 2.82Å; A289-A296 WeakPolarHBondContact O-CA 3.43Å
297	R	96.6	Very high	93.6	Very high	32 Å²	32	27.9 Å²	27.9	12%	0.121	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-68.4	142.5	174.9	-71.1	93.1	-178.2	155.7	12.3	110.7	W252 T253 S255 A289 S291	W252-R297 VanDerWaalsContact O-CZ 3.29Å; W252-R297 PolarHBondContact O-NE 2.91Å; T253-R297 VanDerWaalsContact CA-NH2 3.26Å; T253-R297 PolarHBondContact O-NH2 2.99Å; S255-R297 WeakPolarHBondContact O-CG 3.44Å; S255-R297 PolarHBondContact O-NE 2.72Å; A289-R297 HydrophobicContact CB-CB 4.4Å; A289-R297 WeakPolarHBondContact CB-O 3.45Å; A289-R297 WeakPolarHBondContact O-CD 3.12Å; A289-R297 PolarHBondContact O-N 2.86Å; S291-R297 PolarHBondContact O-NH1 3.03Å
298	P	97.7	Very high	93.6	Very high	8 Å²	8	24.4 Å²	24.4	5%	0.052	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-63.5	138.2	168.4	27.5	-34.4	0	0	0	110.7	L212 T256 A257 L258 F300 A332	L212-P298 HydrophobicContact CD1-CG 3.98Å; T256-P298 WeakPolarHBondContact O-CD 3.37Å; A257-P298 VanDerWaalsContact CA-O 3.31Å; A257-P298 WeakPolarHBondContact CA-O 2.92Å; A257-P298 HydrophobicContact CB-CG 4.25Å; A257-P298 WeakPolarHBondContact CB-O 3.47Å; L258-P298 PolarHBondContact N-O 2.62Å; L258-P298 VanDerWaalsContact N-O 3.14Å; P298-F300 HydrophobicContact CB-CE2 3.71Å; P298-F300 HydrophobicContact CB-CZ 4.08Å; P298-F300 HydrophobicContact CG-CE2 3.87Å; P298-F300 HydrophobicContact CG-CZ 4.43Å; P298-A332 HydrophobicContact CB-CB 3.45Å; P298-A332 VanDerWaalsContact CB-CB 3.45Å
299	V	98.8	Very high	93.3	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-105.5	121.4	177.5	-179.1	0	0	0	0	109.3	L258 P260 M286 A289 V301 A332 G333	L258-V299 HydrophobicContact CB-CG2 4.38Å; P260-V299 HydrophobicContact CG-CG1 3.71Å; M286-V299 HydrophobicContact SD-CB 3.77Å; M286-V299 HydrophobicContact SD-CG1 4.38Å; M286-V299 HydrophobicContact SD-CG2 3.55Å; M286-V299 VanDerWaalsContact SD-CG2 3.55Å; A289-V299 HydrophobicContact CB-CG2 3.53Å; V299-V301 HydrophobicContact CG1-CG2 4.12Å; V299-A332 WeakPolarHBondContact O-CA 3.14Å; V299-A332 WeakPolarHBondContact O-CB 3.44Å; V299-A332 PolarHBondContact O-N 2.73Å; V299-G333 PolarHBondContact O-N 2.99Å
300	F	98.9	Very high	93.2	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.022	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	109.5	175.6	-61.4	-90	0	0	0	109.1	L47 L139 L212 A257 L258 F259 P298 A332 G333 I335	L47-F300 HydrophobicContact CB-CE1 4.22Å; L47-F300 HydrophobicContact CD1-CE1 4.25Å; L47-F300 HydrophobicContact CD2-CD1 4.29Å; L47-F300 HydrophobicContact CD2-CE1 4.28Å; L139-F300 HydrophobicContact CD1-CD1 4.01Å; L139-F300 HydrophobicContact CD1-CE1 4.29Å; L139-F300 HydrophobicContact CD1-CG 4.29Å; L139-F300 HydrophobicContact CD2-CD1 4.18Å; L139-F300 HydrophobicContact CD2-CD2 3.94Å; L139-F300 HydrophobicContact CD2-CE1 3.92Å; L139-F300 HydrophobicContact CD2-CE2 3.63Å; L139-F300 HydrophobicContact CD2-CG 4.21Å; L139-F300 HydrophobicContact CD2-CZ 3.63Å; L212-F300 HydrophobicContact CD1-CE2 3.72Å; L212-F300 HydrophobicContact CD1-CZ 3.85Å; A257-F300 HydrophobicContact CB-CD2 3.89Å; A257-F300 HydrophobicContact CB-CE2 3.9Å; L258-F300 PolarHBondContact O-N 3.44Å; F259-F300 WeakPolarHBondContact CA-O 3.38Å; F259-F300 HydrophobicContact CD1-CB 3.76Å; F259-F300 HydrophobicContact CE1-CB 3.73Å; F259-F300 AromaticContact CE1-CD2 3.92Å; F259-F300 HydrophobicContact CE1-CD2 3.92Å; F259-F300 HydrophobicContact CE1-CG 4.09Å; F259-F300 HydrophobicContact CZ-CD2 4.31Å; P298-F300 HydrophobicContact CB-CE2 3.71Å; P298-F300 HydrophobicContact CB-CZ 4.08Å; P298-F300 HydrophobicContact CG-CE2 3.87Å; P298-F300 HydrophobicContact CG-CZ 4.43Å; F300-A332 HydrophobicContact CD1-CB 4.34Å; F300-A332 HydrophobicContact CE1-CB 3.92Å; F300-A332 HydrophobicContact CE2-CB 4.25Å; F300-A332 HydrophobicContact CZ-CB 3.87Å; F300-G333 CarbonylContact C-O 3.38Å; F300-G333 WeakPolarHBondContact CA-O 3.45Å; F300-I335 HydrophobicContact CB-CD1 3.83Å; F300-I335 HydrophobicContact CB-CG1 4.36Å
301	V	98.9	Very high	93.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124.3	-171.9	-179.6	0	0	0	0	109.9	P260 V262 V282 V299 A331 G333 I334 I335	P260-V301 HydrophobicContact CG-CG2 4.3Å; V262-V301 HydrophobicContact CB-CG1 4.19Å; V262-V301 HydrophobicContact CG1-CG1 3.71Å; V262-V301 HydrophobicContact CG2-CG1 3.42Å; V262-V301 VanDerWaalsContact CG2-CG1 3.42Å; V282-V301 HydrophobicContact CG2-CG1 4.44Å; V282-V301 HydrophobicContact CG2-CG2 4.2Å; V299-V301 HydrophobicContact CG1-CG2 4.12Å; V301-A331 HydrophobicContact CG2-CB 3.93Å; V301-G333 PolarHBondContact N-O 3.24Å; V301-I334 HydrophobicContact CB-CD1 4.14Å; V301-I334 WeakPolarHBondContact O-CA 3.4Å; V301-I335 PolarHBondContact O-N 3.09Å
302	Y	98.9	Very high	93.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	122.6	171.3	-93.8	-97.9	0	0	0	110.1	M87 V141 Y216 F259 P260 V262 Y263 I335 W337	M87-Y302 HydrophobicContact SD-CE1 4.47Å; V141-Y302 HydrophobicContact CG1-CE2 4.15Å; V141-Y302 HydrophobicContact CG2-CE2 4.24Å; Y216-Y302 HydrophobicContact CD2-CD1 4.04Å; Y216-Y302 AromaticContact CD2-CD2 3.96Å; Y216-Y302 HydrophobicContact CD2-CD2 3.96Å; Y216-Y302 HydrophobicContact CD2-CE1 4.25Å; Y216-Y302 HydrophobicContact CD2-CE2 4.17Å; Y216-Y302 AromaticContact CD2-CG 3.89Å; Y216-Y302 HydrophobicContact CD2-CG 3.89Å; Y216-Y302 AromaticContact CE2-CD1 3.87Å; Y216-Y302 HydrophobicContact CE2-CD1 3.87Å; Y216-Y302 HydrophobicContact CE2-CD2 4.36Å; Y216-Y302 HydrophobicContact CE2-CE1 4.43Å; Y216-Y302 AromaticContact CE2-CG 3.83Å; Y216-Y302 HydrophobicContact CE2-CG 3.83Å; F259-Y302 HydrophobicContact CB-CD2 4.09Å; F259-Y302 HydrophobicContact CB-CE2 4.13Å; F259-Y302 HydrophobicContact CD1-CD2 4.31Å; F259-Y302 AromaticContact CD1-CE2 3.87Å; F259-Y302 HydrophobicContact CD1-CE2 3.87Å; F259-Y302 HydrophobicContact CG-CE2 4.35Å; P260-Y302 PolarHBondContact O-N 3.23Å; V262-Y302 WeakPolarHBondContact CG2-O 3.46Å; V262-Y302 PolarHBondContact N-O 2.99Å; Y263-Y302 WeakPolarHBondContact OH-CD1 3.48Å; Y302-I335 WeakPolarHBondContact CA-O 3.46Å; Y302-I335 HydrophobicContact CD1-CB 4.25Å; Y302-I335 HydrophobicContact CD1-CG2 3.99Å; Y302-I335 HydrophobicContact CD2-CB 4.23Å; Y302-I335 HydrophobicContact CD2-CD1 3.86Å; Y302-I335 HydrophobicContact CE1-CB 4.24Å; Y302-I335 HydrophobicContact CE1-CG2 3.58Å; Y302-I335 HydrophobicContact CE2-CB 4.21Å; Y302-I335 HydrophobicContact CE2-CD1 3.37Å; Y302-I335 HydrophobicContact CE2-CG1 4.38Å; Y302-I335 HydrophobicContact CE2-CG2 4.2Å; Y302-I335 HydrophobicContact CG-CB 4.25Å; Y302-I335 HydrophobicContact CG-CG2 4.47Å; Y302-W337 HydrophobicContact CD1-CB 3.69Å; Y302-W337 HydrophobicContact CD1-CG 4.25Å; Y302-W337 HydrophobicContact CE1-CB 3.83Å; Y302-W337 HydrophobicContact CE1-CG 4.11Å
303	T	98.6	Very high	94.8	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	174.3	170.5	-165	0	0	0	0	110.4	I323 I334 I335 L336 W337	T303-I323 HydrophobicContact CG2-CD1 4.49Å; T303-I323 HydrophobicContact CG2-CG1 4.02Å; T303-I334 HydrophobicContact CG2-CG2 3.64Å; T303-I335 PolarHBondContact N-O 3.49Å; T303-I335 VanDerWaalsContact O-O 3.09Å; T303-L336 HydrophobicContact CG2-CD2 3.51Å; T303-L336 WeakPolarHBondContact O-CA 3.32Å; T303-W337 PolarHBondContact O-N 3.17Å
304	Q	97.8	Very high	96.1	Very high	16 Å²	16	33.2 Å²	33.2	8%	0.075	17%	0.174	C	C	.	.			trans	-118.1	152.7	179	-72.1	178.5	-16.2	0	0	110.1	Y263 T306 L314 W337	Y263-Q304 HydrophobicContact CD1-CG 3.69Å; Y263-Q304 HydrophobicContact CD2-CG 4.25Å; Y263-Q304 HydrophobicContact CE1-CG 3.7Å; Y263-Q304 HydrophobicContact CE2-CG 4.26Å; Y263-Q304 VanDerWaalsContact CE2-NE2 3.34Å; Y263-Q304 HydrophobicContact CG-CG 3.98Å; Q304-T306 WeakPolarHBondContact CB-O 3.34Å; Q304-T306 PolarHBondContact O-N 3.2Å; Q304-L314 WeakPolarHBondContact O-CD1 3.45Å; Q304-W337 HydrophobicContact CG-CE3 4.37Å; Q304-W337 WeakPolarHBondContact CG-O 3.48Å
305	P	97.2	Very high	96.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-70.2	-14.6	168.1	30.6	-34.2	0	0	0	112.3	V52 L314 W337 L352 Y355 L360	V52-P305 HydrophobicContact CG2-CG 4.2Å; P305-L314 PolarHBondContact O-N 3Å; P305-W337 WeakPolarHBondContact CD-O 3.28Å; P305-L352 HydrophobicContact CB-CD1 4.02Å; P305-L352 HydrophobicContact CG-CD1 4.02Å; P305-Y355 HydrophobicContact CB-CE1 4.17Å; P305-Y355 WeakPolarHBondContact O-CE1 3.48Å; P305-L360 HydrophobicContact CB-CD2 4.35Å
306	T	97.8	Very high	97.2	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.025	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-123.3	168.9	-178.5	60.3	0	0	0	0	111.3	Q304 S310 L311 E312 Q313 H342	Q304-T306 WeakPolarHBondContact CB-O 3.34Å; Q304-T306 PolarHBondContact O-N 3.2Å; T306-S310 WeakPolarHBondContact CB-O 3.29Å; T306-S310 PolarHBondContact OG1-O 2.99Å; T306-L311 WeakPolarHBondContact CG2-O 3.49Å; T306-E312 CarbonylContact C-O 3.45Å; T306-E312 WeakPolarHBondContact CA-O 3.46Å; T306-E312 WeakPolarHBondContact CB-O 3.27Å; T306-Q313 HydrophobicContact CG2-CG 4.32Å; T306-H342 PolarHBondContact OG1-NE2 3.04Å
307	Y	98.1	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.			trans	-70.5	148.5	169.7	-61.3	-78.6	0	0	0	111.3	M264 K266 R269 N309 S310 E312 Q313 L314 T315 D318	M264-Y307 HydrophobicContact CB-CD1 4.49Å; M264-Y307 HydrophobicContact CG-CD1 4.24Å; M264-Y307 HydrophobicContact CG-CE1 4.43Å; M264-Y307 CarbonylContact O-C 3.54Å; M264-Y307 VanDerWaalsContact O-CA 3.3Å; M264-Y307 WeakPolarHBondContact O-CA 3.43Å; M264-Y307 WeakPolarHBondContact O-CB 3.19Å; M264-Y307 HydrophobicContact SD-CD1 4.46Å; M264-Y307 HydrophobicContact SD-CE1 4.06Å; K266-Y307 VanDerWaalsContact CG-CB 3.41Å; K266-Y307 HydrophobicContact CG-CD1 4.45Å; K266-Y307 HydrophobicContact CG-CD2 3.9Å; K266-Y307 HydrophobicContact CG-CG 3.67Å; R269-Y307 HydrophobicContact CB-CE1 3.85Å; R269-Y307 WeakPolarHBondContact CD-OH 2.99Å; R269-Y307 HydrophobicContact CG-CE1 4.23Å; R269-Y307 HydrophobicContact CG-CE2 4.33Å; R269-Y307 VanDerWaalsContact CG-OH 3.22Å; R269-Y307 WeakPolarHBondContact CG-OH 3.29Å; Y307-N309 PolarHBondContact O-N 2.77Å; Y307-S310 CarbonylContact O-C 3.54Å; Y307-S310 WeakPolarHBondContact O-CA 3.28Å; Y307-S310 WeakPolarHBondContact O-CB 3.45Å; Y307-S310 PolarHBondContact O-N 2.87Å; Y307-E312 HydrophobicContact CD2-CB 4.04Å; Y307-E312 HydrophobicContact CD2-CG 3.9Å; Y307-E312 WeakPolarHBondContact CD2-O 3.41Å; Y307-E312 HydrophobicContact CE2-CG 4Å; Y307-E312 PolarHBondContact N-O 2.84Å; Y307-Q313 VanDerWaalsContact CE2-O 3.28Å; Y307-Q313 WeakPolarHBondContact CE2-O 3.42Å; Y307-L314 HydrophobicContact CD1-CD2 3.42Å; Y307-L314 VanDerWaalsContact CD1-CD2 3.42Å; Y307-L314 HydrophobicContact CD2-CD2 4.25Å; Y307-L314 HydrophobicContact CE1-CD2 3.38Å; Y307-L314 HydrophobicContact CE2-CD2 4.22Å; Y307-L314 HydrophobicContact CG-CD2 3.84Å; Y307-T315 PolarHBondContact OH-N 3.25Å; Y307-D318 HydrophobicContact CE1-CB 4.43Å; Y307-D318 PolarHBondContact OH-OD2 2.88Å
308	A	95.5	Very high	97.5	Very high	23 Å²	23	33.5 Å²	33.5	19%	0.19	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	132.3	179.1	0	0	0	0	0	111.8	M264 S310	M264-A308 PolarHBondContact O-N 2.72Å; A308-S310 PolarHBondContact O-N 2.9Å
309	N	92.9	Very high	97.5	Very high	172 Å²	172	33.2 Å²	33.2	92%	0.92	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	30.3	-177.1	-51.8	-41.4	0	0	0	113.4	Y307	Y307-N309 PolarHBondContact O-N 2.77Å
310	S	94.7	Very high	97.5	Very high	27 Å²	27	34.3 Å²	34.3	19%	0.189	18%	0.178	C	C	.	.	S	Bend	trans	-146	152.1	178.4	-157.3	0	0	0	0	112	K266 T306 Y307 A308 E312	K266-S310 WeakPolarHBondContact CD-OG 3.19Å; K266-S310 WeakPolarHBondContact CE-OG 3.17Å; K266-S310 PolarHBondContact NZ-OG 2.73Å; T306-S310 WeakPolarHBondContact CB-O 3.29Å; T306-S310 PolarHBondContact OG1-O 2.99Å; Y307-S310 CarbonylContact O-C 3.54Å; Y307-S310 WeakPolarHBondContact O-CA 3.28Å; Y307-S310 WeakPolarHBondContact O-CB 3.45Å; Y307-S310 PolarHBondContact O-N 2.87Å; A308-S310 PolarHBondContact O-N 2.9Å; S310-E312 VanDerWaalsContact C-N 3.31Å; S310-E312 PolarHBondContact OG-N 2.88Å
311	L	94.1	Very high	97.5	Very high	79 Å²	79	34 Å²	34	41%	0.414	18%	0.177	S	C	.	.			trans	-88.5	-1.3	167.8	-64.9	176.2	0	0	0	112.6	T306 Q313 T348	T306-L311 WeakPolarHBondContact CG2-O 3.49Å; L311-Q313 PolarHBondContact O-N 2.9Å; L311-T348 HydrophobicContact CD1-CG2 3.92Å; L311-T348 HydrophobicContact CD2-CG2 3.81Å; L311-T348 HydrophobicContact CG-CG2 4.43Å
312	E	96.6	Very high	97.5	Very high	66 Å²	66	34 Å²	34	31%	0.308	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-68.3	123.1	175	-175.4	-179.9	171.5	0	0	109.7	K266 R269 T306 Y307 S310	K266-E312 HydrophobicContact CD-CB 4.44Å; K266-E312 WeakPolarHBondContact CD-OE2 3.39Å; R269-E312 IonicContact CZ-OE1 3.65Å; R269-E312 IonicContact NE-OE1 3.25Å; R269-E312 PolarHBondContact NE-OE1 2.57Å; R269-E312 IonicContact NH1-OE1 2.81Å; R269-E312 PolarHBondContact NH1-OE1 3.35Å; T306-E312 CarbonylContact C-O 3.45Å; T306-E312 WeakPolarHBondContact CA-O 3.46Å; T306-E312 WeakPolarHBondContact CB-O 3.27Å; Y307-E312 HydrophobicContact CD2-CB 4.04Å; Y307-E312 HydrophobicContact CD2-CG 3.9Å; Y307-E312 WeakPolarHBondContact CD2-O 3.41Å; Y307-E312 HydrophobicContact CE2-CG 4Å; Y307-E312 PolarHBondContact N-O 2.84Å; S310-E312 VanDerWaalsContact C-N 3.31Å; S310-E312 PolarHBondContact OG-N 2.88Å
313	Q	97.7	Very high	97.5	Very high	59 Å²	59	34.1 Å²	34.1	28%	0.276	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-71.6	147.4	-175.7	-65.4	156.6	-4	0	0	111.5	T306 Y307 L311 T315 D351 Y355	T306-Q313 HydrophobicContact CG2-CG 4.32Å; Y307-Q313 VanDerWaalsContact CE2-O 3.28Å; Y307-Q313 WeakPolarHBondContact CE2-O 3.42Å; L311-Q313 PolarHBondContact O-N 2.9Å; Q313-T315 PolarHBondContact O-N 3.01Å; Q313-D351 PolarHBondContact NE2-O 2.71Å; Q313-Y355 HydrophobicContact CB-CD1 4.1Å; Q313-Y355 HydrophobicContact CB-CD2 3.95Å; Q313-Y355 HydrophobicContact CB-CE1 4.07Å; Q313-Y355 HydrophobicContact CB-CE2 3.95Å; Q313-Y355 HydrophobicContact CB-CG 4.02Å; Q313-Y355 VanDerWaalsContact CD-CG 3.43Å; Q313-Y355 HydrophobicContact CG-CD1 3.82Å; Q313-Y355 HydrophobicContact CG-CD2 4.21Å; Q313-Y355 HydrophobicContact CG-CE1 4.24Å; Q313-Y355 HydrophobicContact CG-CG 3.79Å; Q313-Y355 VanDerWaalsContact NE2-CB 3.27Å; Q313-Y355 VanDerWaalsContact OE1-CB 3.28Å
314	L	98.5	Very high	97.5	Very high	4 Å²	4	34 Å²	34	2%	0.021	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-62.2	138	173.6	-64	-175.6	0	0	0	110.5	Q304 P305 Y307 D318 L319 T322 Y355	Q304-L314 WeakPolarHBondContact O-CD1 3.45Å; P305-L314 PolarHBondContact O-N 3Å; Y307-L314 HydrophobicContact CD1-CD2 3.42Å; Y307-L314 VanDerWaalsContact CD1-CD2 3.42Å; Y307-L314 HydrophobicContact CD2-CD2 4.25Å; Y307-L314 HydrophobicContact CE1-CD2 3.38Å; Y307-L314 HydrophobicContact CE2-CD2 4.22Å; Y307-L314 HydrophobicContact CG-CD2 3.84Å; L314-D318 HydrophobicContact CB-CB 4.19Å; L314-D318 HydrophobicContact CD2-CB 4.24Å; L314-L319 HydrophobicContact CB-CD2 4.14Å; L314-L319 HydrophobicContact CB-CG 4.36Å; L314-L319 HydrophobicContact CD1-CD2 4.28Å; L314-T322 HydrophobicContact CD1-CG2 4.15Å; L314-Y355 WeakPolarHBondContact O-CE2 3.49Å; L314-Y355 PolarHBondContact O-OH 3.11Å
315	T	98.5	Very high	97.5	Very high	29 Å²	29	33.2 Å²	33.2	18%	0.178	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-69.8	162.1	170.2	64.1	0	0	0	0	110.7	S270 Y307 Q313 F317 D318 L319	S270-T315 WeakPolarHBondContact OG-CG2 3.49Å; S270-T315 PolarHBondContact OG-OG1 3.4Å; Y307-T315 PolarHBondContact OH-N 3.25Å; Q313-T315 PolarHBondContact O-N 3.01Å; T315-F317 PolarHBondContact O-N 2.84Å; T315-D318 CarbonylContact O-C 3.54Å; T315-D318 WeakPolarHBondContact O-CA 3.14Å; T315-D318 PolarHBondContact O-N 2.97Å; T315-D318 PolarHBondContact OG1-N 3.48Å; T315-D318 PolarHBondContact OG1-OD2 3.39Å; T315-L319 PolarHBondContact O-N 2.94Å
316	E	98.2	Very high	97.6	Very high	127 Å²	127	33.3 Å²	33.3	59%	0.593	17%	0.173	S	C	*	.	H	α-helix	trans	-55.6	-38.6	172.7	-173.3	175.8	171.8	0	0	112.2	D318 L319 V320 T359	E316-D318 VanDerWaalsContact C-N 3.26Å; E316-D318 PolarHBondContact O-N 3.17Å; E316-L319 WeakPolarHBondContact O-CB 3.33Å; E316-L319 PolarHBondContact O-N 2.95Å; E316-V320 WeakPolarHBondContact O-CG2 3.41Å; E316-V320 PolarHBondContact O-N 3.37Å; E316-T359 HydrophobicContact CB-CG2 4.37Å
317	F	98.6	Very high	97.7	Very high	80 Å²	80	33.3 Å²	33.3	35%	0.351	17%	0.174	S	C	.	.	H	α-helix	trans	-57.7	-39.8	173.3	-176.5	-76.5	0	0	0	112.2	S270 T315 V320 S321	S270-F317 VanDerWaalsContact C-CE1 3.46Å; S270-F317 VanDerWaalsContact CA-CD1 3.45Å; T315-F317 PolarHBondContact O-N 2.84Å; F317-V320 WeakPolarHBondContact O-CB 3.22Å; F317-V320 PolarHBondContact O-N 3.29Å; F317-S321 VanDerWaalsContact CE1-OG 3.3Å; F317-S321 WeakPolarHBondContact CE1-OG 3.42Å; F317-S321 WeakPolarHBondContact O-CB 3.46Å; F317-S321 PolarHBondContact O-N 2.8Å; F317-S321 PolarHBondContact O-OG 3.39Å
318	D	98.8	Very high	97.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-81.7	-25.3	-179.3	-64.3	-43	0	0	0	112.3	M264 S270 Y307 L314 T315 E316 V320 S321 T322	M264-D318 HydrophobicContact SD-CB 4Å; S270-D318 WeakPolarHBondContact CA-OD1 3.13Å; S270-D318 VanDerWaalsContact N-CG 3.28Å; S270-D318 PolarHBondContact N-OD1 2.91Å; S270-D318 PolarHBondContact N-OD2 3.32Å; S270-D318 PolarHBondContact OG-OD2 3.01Å; Y307-D318 HydrophobicContact CE1-CB 4.43Å; Y307-D318 PolarHBondContact OH-OD2 2.88Å; L314-D318 HydrophobicContact CB-CB 4.19Å; L314-D318 HydrophobicContact CD2-CB 4.24Å; T315-D318 CarbonylContact O-C 3.54Å; T315-D318 WeakPolarHBondContact O-CA 3.14Å; T315-D318 PolarHBondContact O-N 2.97Å; T315-D318 PolarHBondContact OG1-N 3.48Å; T315-D318 PolarHBondContact OG1-OD2 3.39Å; E316-D318 VanDerWaalsContact C-N 3.26Å; E316-D318 PolarHBondContact O-N 3.17Å; D318-V320 VanDerWaalsContact C-N 3.33Å; D318-S321 CarbonylContact O-C 3.53Å; D318-S321 PolarHBondContact O-N 2.9Å; D318-T322 VanDerWaalsContact O-CB 3.28Å; D318-T322 WeakPolarHBondContact O-CB 3.49Å; D318-T322 VanDerWaalsContact O-CG2 3.3Å; D318-T322 WeakPolarHBondContact O-CG2 3.5Å; D318-T322 PolarHBondContact O-N 3.19Å; D318-T322 PolarHBondContact O-OG1 2.85Å
319	L	98.8	Very high	97.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-63.2	-40.7	165.4	-68.7	179.5	0	0	0	111.1	L314 T315 E316 I323 G324 Y355 T359 L360 Y363	L314-L319 HydrophobicContact CB-CD2 4.14Å; L314-L319 HydrophobicContact CB-CG 4.36Å; L314-L319 HydrophobicContact CD1-CD2 4.28Å; T315-L319 PolarHBondContact O-N 2.94Å; E316-L319 WeakPolarHBondContact O-CB 3.33Å; E316-L319 PolarHBondContact O-N 2.95Å; L319-I323 HydrophobicContact CD2-CD1 4.04Å; L319-I323 WeakPolarHBondContact O-CA 3.35Å; L319-I323 WeakPolarHBondContact O-CB 3.33Å; L319-I323 PolarHBondContact O-N 3.1Å; L319-G324 PolarHBondContact O-N 2.82Å; L319-Y355 WeakPolarHBondContact CD2-OH 3.24Å; L319-T359 HydrophobicContact CD1-CG2 4.09Å; L319-L360 HydrophobicContact CD1-CD1 4.3Å; L319-L360 HydrophobicContact CD2-CD1 3.84Å; L319-Y363 HydrophobicContact CB-CD1 3.64Å; L319-Y363 HydrophobicContact CB-CD2 4.32Å; L319-Y363 HydrophobicContact CB-CE1 3.87Å; L319-Y363 HydrophobicContact CB-CG 3.89Å; L319-Y363 HydrophobicContact CD1-CD1 4.17Å; L319-Y363 HydrophobicContact CD1-CG 4.03Å; L319-Y363 HydrophobicContact CG-CD1 4.4Å; L319-Y363 WeakPolarHBondContact O-CE1 3.41Å; L319-Y363 PolarHBondContact O-OH 3.38Å
320	V	98.8	Very high	98.1	Very high	25 Å²	25	24.8 Å²	24.8	15%	0.152	13%	0.125	C	C	.	.	I	π-helix	trans	-61.3	-48.6	169.4	177	0	0	0	0	110.6	E316 F317 D318 T322 G324 E325 Y363 Y395	E316-V320 WeakPolarHBondContact O-CG2 3.41Å; E316-V320 PolarHBondContact O-N 3.37Å; F317-V320 WeakPolarHBondContact O-CB 3.22Å; F317-V320 PolarHBondContact O-N 3.29Å; D318-V320 VanDerWaalsContact C-N 3.33Å; V320-T322 VanDerWaalsContact C-N 3.27Å; V320-T322 PolarHBondContact O-N 2.81Å; V320-G324 CarbonylContact O-C 3.42Å; V320-G324 VanDerWaalsContact O-CA 3.24Å; V320-G324 WeakPolarHBondContact O-CA 3.21Å; V320-G324 PolarHBondContact O-N 3.45Å; V320-E325 PolarHBondContact O-N 3.44Å; V320-Y363 WeakPolarHBondContact CA-OH 3.42Å; V320-Y363 HydrophobicContact CG2-CD2 4.48Å; V320-Y363 HydrophobicContact CG2-CE2 3.6Å; V320-Y395 HydrophobicContact CG1-CD1 4.04Å; V320-Y395 HydrophobicContact CG1-CD2 3.92Å; V320-Y395 HydrophobicContact CG1-CE1 3.78Å; V320-Y395 HydrophobicContact CG1-CE2 3.71Å; V320-Y395 HydrophobicContact CG1-CG 4.09Å
321	S	98.7	Very high	98.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	I	π-helix	trans	-73.4	-14.2	-175.4	-57.4	0	0	0	0	114.4	V278 F317 D318 E325	V278-S321 WeakPolarHBondContact CB-O 3.3Å; V278-S321 WeakPolarHBondContact CG1-O 3.48Å; V278-S321 WeakPolarHBondContact CG2-O 3.41Å; F317-S321 VanDerWaalsContact CE1-OG 3.3Å; F317-S321 WeakPolarHBondContact CE1-OG 3.42Å; F317-S321 WeakPolarHBondContact O-CB 3.46Å; F317-S321 PolarHBondContact O-N 2.8Å; F317-S321 PolarHBondContact O-OG 3.39Å; D318-S321 CarbonylContact O-C 3.53Å; D318-S321 PolarHBondContact O-N 2.9Å; S321-E325 VanDerWaalsContact O-CB 3.29Å; S321-E325 WeakPolarHBondContact O-CB 3.2Å
322	T	98.8	Very high	98.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-105	-73	175.8	54	0	0	0	0	111.2	M264 V278 L314 D318 V320 S326	M264-T322 HydrophobicContact CB-CG2 4.36Å; M264-T322 HydrophobicContact CE-CG2 3.71Å; V278-T322 HydrophobicContact CG2-CG2 3.93Å; L314-T322 HydrophobicContact CD1-CG2 4.15Å; D318-T322 VanDerWaalsContact O-CB 3.28Å; D318-T322 WeakPolarHBondContact O-CB 3.49Å; D318-T322 VanDerWaalsContact O-CG2 3.3Å; D318-T322 WeakPolarHBondContact O-CG2 3.5Å; D318-T322 PolarHBondContact O-N 3.19Å; D318-T322 PolarHBondContact O-OG1 2.85Å; V320-T322 VanDerWaalsContact C-N 3.27Å; V320-T322 PolarHBondContact O-N 2.81Å; T322-S326 WeakPolarHBondContact O-CB 3.38Å; T322-S326 PolarHBondContact O-N 2.88Å; T322-S326 VanDerWaalsContact O-N 3.09Å; T322-S326 PolarHBondContact O-OG 3.44Å
323	I	98.9	Very high	98.6	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.086	C	C	.	.	I	π-helix	trans	-70.6	-51	-175.6	-63.3	-179.7	0	0	0	110.2	T303 L319 E325 S326 V327 I334 L336 L360 Y363 L364 V367	T303-I323 HydrophobicContact CG2-CD1 4.49Å; T303-I323 HydrophobicContact CG2-CG1 4.02Å; L319-I323 HydrophobicContact CD2-CD1 4.04Å; L319-I323 WeakPolarHBondContact O-CA 3.35Å; L319-I323 WeakPolarHBondContact O-CB 3.33Å; L319-I323 PolarHBondContact O-N 3.1Å; I323-E325 VanDerWaalsContact C-N 3.29Å; I323-E325 PolarHBondContact O-N 3.32Å; I323-S326 PolarHBondContact O-N 2.78Å; I323-V327 HydrophobicContact CG2-CG2 4.3Å; I323-V327 VanDerWaalsContact O-CG2 3.23Å; I323-V327 WeakPolarHBondContact O-CG2 3.49Å; I323-V327 PolarHBondContact O-N 3.29Å; I323-I334 HydrophobicContact CD1-CG2 4.36Å; I323-I334 HydrophobicContact CG1-CG2 4.05Å; I323-I334 HydrophobicContact CG2-CG1 4.18Å; I323-L336 HydrophobicContact CD1-CD2 4.39Å; I323-L360 HydrophobicContact CD1-CD1 4.36Å; I323-Y363 HydrophobicContact CB-CE1 3.79Å; I323-Y363 HydrophobicContact CG2-CD1 4.47Å; I323-Y363 HydrophobicContact CG2-CE1 3.74Å; I323-L364 HydrophobicContact CD1-CD2 3.78Å; I323-L364 HydrophobicContact CG2-CD2 4.4Å; I323-V367 HydrophobicContact CG2-CG1 3.99Å
324	G	98.8	Very high	98.6	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.01	7%	0.073	C	C	.	.	I	π-helix	trans	-58.2	-45.5	179.3	0	0	0	0	0	111.8	L319 V320 S326 V327 A328 Y363	L319-G324 PolarHBondContact O-N 2.82Å; V320-G324 CarbonylContact O-C 3.42Å; V320-G324 VanDerWaalsContact O-CA 3.24Å; V320-G324 WeakPolarHBondContact O-CA 3.21Å; V320-G324 PolarHBondContact O-N 3.45Å; G324-S326 VanDerWaalsContact C-N 3.33Å; G324-S326 PolarHBondContact O-N 2.04Å; G324-V327 PolarHBondContact O-N 2.98Å; G324-A328 WeakPolarHBondContact O-CB 3.44Å; G324-A328 PolarHBondContact O-N 3.43Å; G324-Y363 WeakPolarHBondContact CA-OH 3.48Å; G324-Y363 PolarHBondContact N-OH 3.13Å
325	E	98.8	Very high	98.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.6	-46.5	178.9	-172.3	58.9	-153.3	0	0	111.3	V278 R279 V320 S321 I323 L329 R387 Y395	V278-E325 HydrophobicContact CB-CG 4.49Å; V278-E325 HydrophobicContact CG1-CB 4.17Å; V278-E325 HydrophobicContact CG1-CG 4.11Å; R279-E325 HydrophobicContact CB-CG 4.02Å; R279-E325 VanDerWaalsContact CB-OE1 3.22Å; R279-E325 WeakPolarHBondContact CB-OE1 3.27Å; R279-E325 VanDerWaalsContact CG-OE1 3.24Å; R279-E325 WeakPolarHBondContact CG-OE1 3.21Å; R279-E325 IonicContact CZ-OE1 2.66Å; R279-E325 IonicContact CZ-OE2 3.28Å; R279-E325 IonicContact NE-OE1 3.01Å; R279-E325 PolarHBondContact NE-OE1 2.82Å; R279-E325 IonicContact NE-OE2 2.82Å; R279-E325 IonicContact NH2-OE1 3.69Å; R279-E325 PolarHBondContact NH2-OE1 3.01Å; R279-E325 IonicContact NH2-OE2 3.96Å; R279-E325 PolarHBondContact NH2-OE2 2.63Å; V320-E325 PolarHBondContact O-N 3.44Å; S321-E325 VanDerWaalsContact O-CB 3.29Å; S321-E325 WeakPolarHBondContact O-CB 3.2Å; I323-E325 VanDerWaalsContact C-N 3.29Å; I323-E325 PolarHBondContact O-N 3.32Å; E325-L329 HydrophobicContact CG-CD1 4.33Å; E325-L329 WeakPolarHBondContact O-CG 3.5Å; E325-L329 PolarHBondContact O-N 2.84Å; E325-R387 VanDerWaalsContact CA-NH2 3.26Å; E325-R387 PolarHBondContact O-NH2 3.46Å; E325-R387 IonicContact OE1-CZ 3.41Å; E325-R387 IonicContact OE1-NH1 3.4Å; E325-R387 PolarHBondContact OE1-NH1 2.92Å; E325-R387 IonicContact OE1-NH2 2.72Å; E325-R387 PolarHBondContact OE1-NH2 3.26Å; E325-R387 IonicContact OE2-CZ 3.18Å; E325-R387 IonicContact OE2-NH1 3.75Å; E325-R387 PolarHBondContact OE2-NH1 3.09Å; E325-R387 IonicContact OE2-NH2 3.03Å; E325-R387 PolarHBondContact OE2-NH2 2.7Å; E325-Y395 HydrophobicContact CB-CE1 4.31Å; E325-Y395 WeakPolarHBondContact OE2-CE1 3.32Å; E325-Y395 PolarHBondContact OE2-OH 2.91Å
326	S	98.9	Very high	98.7	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.007	6%	0.064	C	C	.	.	H	α-helix	trans	-63.2	-47.1	178.6	-59.6	0	0	0	0	112.8	V282 T322 I323 G324 L329 G330 A331	V282-S326 WeakPolarHBondContact CG2-OG 3.05Å; T322-S326 WeakPolarHBondContact O-CB 3.38Å; T322-S326 PolarHBondContact O-N 2.88Å; T322-S326 VanDerWaalsContact O-N 3.09Å; T322-S326 PolarHBondContact O-OG 3.44Å; I323-S326 PolarHBondContact O-N 2.78Å; G324-S326 VanDerWaalsContact C-N 3.33Å; G324-S326 PolarHBondContact O-N 2.04Å; S326-L329 PolarHBondContact O-N 3.03Å; S326-G330 PolarHBondContact O-N 3.28Å; S326-A331 VanDerWaalsContact O-CB 3.23Å; S326-A331 WeakPolarHBondContact O-CB 3.4Å; S326-A331 PolarHBondContact O-N 2.64Å; S326-A331 VanDerWaalsContact O-N 3.17Å
327	V	98.8	Very high	98.7	Very high	5 Å²	5	8.6 Å²	8.6	3%	0.03	4%	0.043	C	C	.	.	H	α-helix	trans	-65	-46	-177.9	176.4	0	0	0	0	110.7	L46 I323 G324 L329 G330 I334 V367 A371 L396	L46-V327 HydrophobicContact CD1-CG1 4.45Å; L46-V327 HydrophobicContact CD1-CG2 3.66Å; L46-V327 HydrophobicContact CD2-CB 4.47Å; L46-V327 HydrophobicContact CD2-CG1 4.07Å; L46-V327 HydrophobicContact CD2-CG2 3.49Å; L46-V327 VanDerWaalsContact CD2-CG2 3.49Å; L46-V327 HydrophobicContact CG-CG2 4.22Å; I323-V327 HydrophobicContact CG2-CG2 4.3Å; I323-V327 VanDerWaalsContact O-CG2 3.23Å; I323-V327 WeakPolarHBondContact O-CG2 3.49Å; I323-V327 PolarHBondContact O-N 3.29Å; G324-V327 PolarHBondContact O-N 2.98Å; V327-L329 PolarHBondContact O-N 2.99Å; V327-G330 PolarHBondContact O-N 2.86Å; V327-I334 HydrophobicContact CG2-CD1 4.37Å; V327-I334 HydrophobicContact CG2-CG1 4.28Å; V327-V367 HydrophobicContact CB-CG2 3.87Å; V327-V367 HydrophobicContact CG1-CG2 3.89Å; V327-V367 HydrophobicContact CG2-CG2 3.85Å; V327-A371 HydrophobicContact CG1-CB 4.16Å; V327-L396 HydrophobicContact CG1-CB 4.48Å; V327-L396 HydrophobicContact CG1-CD1 4.05Å
328	A	98.6	Very high	98.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-72.1	-12.3	-179.1	0	0	0	0	0	112.9	G324 R387 Y395 F430	G324-A328 WeakPolarHBondContact O-CB 3.44Å; G324-A328 PolarHBondContact O-N 3.43Å; A328-R387 HydrophobicContact CB-CG 4.16Å; A328-R387 WeakPolarHBondContact O-CB 3.03Å; A328-R387 VanDerWaalsContact O-CG 3.27Å; A328-R387 WeakPolarHBondContact O-CG 3.24Å; A328-R387 PolarHBondContact O-N 2.86Å; A328-R387 PolarHBondContact O-NE 2.86Å; A328-Y395 HydrophobicContact CB-CD1 4.35Å; A328-F430 HydrophobicContact CB-CE1 3.94Å; A328-F430 HydrophobicContact CB-CZ 4.38Å
329	L	98.6	Very high	98.1	Very high	12 Å²	12	7.9 Å²	7.9	6%	0.063	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.5	167.8	-73.2	169.9	0	0	0	113.6	R279 V282 K283 E325 S326 V327 P390	R279-L329 HydrophobicContact CG-CD1 4.42Å; V282-L329 HydrophobicContact CB-CD1 3.71Å; V282-L329 HydrophobicContact CG1-CB 3.75Å; V282-L329 HydrophobicContact CG1-CD1 3.71Å; V282-L329 HydrophobicContact CG1-CG 4.4Å; K283-L329 HydrophobicContact CG-CD1 4.14Å; K283-L329 HydrophobicContact CG-CD2 4.13Å; E325-L329 HydrophobicContact CG-CD1 4.33Å; E325-L329 WeakPolarHBondContact O-CG 3.5Å; E325-L329 PolarHBondContact O-N 2.84Å; S326-L329 PolarHBondContact O-N 3.03Å; V327-L329 PolarHBondContact O-N 2.99Å; L329-P390 HydrophobicContact CD2-CB 4.01Å
330	G	98	Very high	97.6	Very high	3 Å²	3	11.2 Å²	11.2	3%	0.031	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	12.2	173.9	0	0	0	0	0	115.8	S326 V327 R384	S326-G330 PolarHBondContact O-N 3.28Å; V327-G330 PolarHBondContact O-N 2.86Å; G330-R384 WeakPolarHBondContact O-CD 3.04Å; G330-R384 PolarHBondContact O-NH1 3.06Å
331	A	98.6	Very high	97.2	Very high	3 Å²	3	12.8 Å²	12.8	3%	0.025	8%	0.08	C	C	.	.			trans	-53.9	139.8	179	0	0	0	0	0	112.9	V301 S326 R384	V301-A331 HydrophobicContact CG2-CB 3.93Å; S326-A331 VanDerWaalsContact O-CB 3.23Å; S326-A331 WeakPolarHBondContact O-CB 3.4Å; S326-A331 PolarHBondContact O-N 2.64Å; S326-A331 VanDerWaalsContact O-N 3.17Å; A331-R384 PolarHBondContact O-NH1 3.21Å
332	A	98.6	Very high	96.6	Very high	7 Å²	7	13 Å²	13	6%	0.058	8%	0.081	C	C	.	.	S	Bend	trans	-73.4	-29	177.3	0	0	0	0	0	113.9	L47 P298 V299 F300	L47-A332 PolarHBondContact N-O 3.42Å; P298-A332 HydrophobicContact CB-CB 3.45Å; P298-A332 VanDerWaalsContact CB-CB 3.45Å; V299-A332 WeakPolarHBondContact O-CA 3.14Å; V299-A332 WeakPolarHBondContact O-CB 3.44Å; V299-A332 PolarHBondContact O-N 2.73Å; F300-A332 HydrophobicContact CD1-CB 4.34Å; F300-A332 HydrophobicContact CE1-CB 3.92Å; F300-A332 HydrophobicContact CE2-CB 4.25Å; F300-A332 HydrophobicContact CZ-CB 3.87Å
333	G	98.6	Very high	96.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	171.1	172.1	0	0	0	0	0	113.1	L47 V299 F300 V301	L47-G333 CarbonylContact O-C 3.53Å; L47-G333 WeakPolarHBondContact O-CA 3.18Å; V299-G333 PolarHBondContact O-N 2.99Å; F300-G333 CarbonylContact C-O 3.38Å; F300-G333 WeakPolarHBondContact CA-O 3.45Å; V301-G333 PolarHBondContact N-O 3.24Å
334	I	98.9	Very high	95.6	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.4	175	-54.3	-61.5	0	0	0	107.1	L46 L47 L48 A49 V301 T303 I323 V327	L46-I334 HydrophobicContact CD1-CG1 4.27Å; L47-I334 PolarHBondContact O-N 3.47Å; L48-I334 HydrophobicContact CD2-CB 4.02Å; L48-I334 HydrophobicContact CD2-CG1 4.25Å; A49-I334 PolarHBondContact N-O 3.27Å; V301-I334 HydrophobicContact CB-CD1 4.14Å; V301-I334 WeakPolarHBondContact O-CA 3.4Å; T303-I334 HydrophobicContact CG2-CG2 3.64Å; I323-I334 HydrophobicContact CD1-CG2 4.36Å; I323-I334 HydrophobicContact CG1-CG2 4.05Å; I323-I334 HydrophobicContact CG2-CG1 4.18Å; V327-I334 HydrophobicContact CG2-CD1 4.37Å; V327-I334 HydrophobicContact CG2-CG1 4.28Å
335	I	98.9	Very high	95.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	111.4	174.5	-57.2	167.2	0	0	0	106.8	A49 N51 L85 L139 F259 F300 V301 Y302 T303 W337	A49-I335 HydrophobicContact CB-CB 4.46Å; A49-I335 HydrophobicContact CB-CG1 4.07Å; A49-I335 HydrophobicContact CB-CG2 4.39Å; N51-I335 HydrophobicContact CB-CG2 3.92Å; L85-I335 HydrophobicContact CD1-CD1 4.37Å; L85-I335 HydrophobicContact CD2-CG2 3.74Å; L139-I335 HydrophobicContact CD1-CD1 3.99Å; L139-I335 HydrophobicContact CD1-CG1 4.4Å; F259-I335 HydrophobicContact CD1-CD1 3.92Å; F259-I335 HydrophobicContact CE1-CD1 4.04Å; F300-I335 HydrophobicContact CB-CD1 3.83Å; F300-I335 HydrophobicContact CB-CG1 4.36Å; V301-I335 PolarHBondContact O-N 3.09Å; Y302-I335 WeakPolarHBondContact CA-O 3.46Å; Y302-I335 HydrophobicContact CD1-CB 4.25Å; Y302-I335 HydrophobicContact CD1-CG2 3.99Å; Y302-I335 HydrophobicContact CD2-CB 4.23Å; Y302-I335 HydrophobicContact CD2-CD1 3.86Å; Y302-I335 HydrophobicContact CE1-CB 4.24Å; Y302-I335 HydrophobicContact CE1-CG2 3.58Å; Y302-I335 HydrophobicContact CE2-CB 4.21Å; Y302-I335 HydrophobicContact CE2-CD1 3.37Å; Y302-I335 HydrophobicContact CE2-CG1 4.38Å; Y302-I335 HydrophobicContact CE2-CG2 4.2Å; Y302-I335 HydrophobicContact CG-CB 4.25Å; Y302-I335 HydrophobicContact CG-CG2 4.47Å; T303-I335 PolarHBondContact N-O 3.49Å; T303-I335 VanDerWaalsContact O-O 3.09Å; I335-W337 PolarHBondContact O-N 3.43Å
336	L	98.6	Very high	95.2	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	108.7	171.3	-70.7	174	0	0	0	108.6	A49 W50 N51 V52 F70 T303 I323 L360 L364	A49-L336 PolarHBondContact O-N 3.27Å; W50-L336 HydrophobicContact CE3-CB 4.16Å; W50-L336 HydrophobicContact CE3-CD1 4.05Å; W50-L336 HydrophobicContact CZ3-CB 4.46Å; W50-L336 HydrophobicContact CZ3-CD1 4.06Å; N51-L336 CarbonylContact C-O 3.47Å; N51-L336 VanDerWaalsContact C-O 3.29Å; N51-L336 VanDerWaalsContact CA-O 3.28Å; N51-L336 WeakPolarHBondContact CA-O 3.49Å; N51-L336 PolarHBondContact N-O 2.87Å; V52-L336 HydrophobicContact CG2-CB 4.46Å; V52-L336 PolarHBondContact N-O 3.05Å; F70-L336 HydrophobicContact CE1-CD1 3.58Å; F70-L336 HydrophobicContact CE1-CG 4.45Å; F70-L336 HydrophobicContact CZ-CD1 3.7Å; T303-L336 HydrophobicContact CG2-CD2 3.51Å; T303-L336 WeakPolarHBondContact O-CA 3.32Å; I323-L336 HydrophobicContact CD1-CD2 4.39Å; L336-L360 HydrophobicContact CD1-CD1 4.3Å; L336-L360 HydrophobicContact CD1-CD2 4.05Å; L336-L364 HydrophobicContact CD1-CD1 4.34Å
337	W	97.9	Very high	95.1	Very high	38 Å²	38	34.1 Å²	34.1	14%	0.144	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	154.9	178.4	-179.7	89.2	0	0	0	110.8	Y89 Y263 Y302 T303 Q304 P305 I335 D339	Y89-W337 PolarHBondContact OH-NE1 3.47Å; Y263-W337 AromaticContact CE2-CE3 3.88Å; Y263-W337 HydrophobicContact CE2-CE3 3.88Å; Y263-W337 HydrophobicContact CE2-CZ3 4.13Å; Y263-W337 AromaticContact CZ-CE3 3.75Å; Y263-W337 WeakPolarHBondContact OH-CB 3.43Å; Y263-W337 VanDerWaalsContact OH-CE3 3.26Å; Y302-W337 HydrophobicContact CD1-CB 3.69Å; Y302-W337 HydrophobicContact CD1-CG 4.25Å; Y302-W337 HydrophobicContact CE1-CB 3.83Å; Y302-W337 HydrophobicContact CE1-CG 4.11Å; T303-W337 PolarHBondContact O-N 3.17Å; Q304-W337 HydrophobicContact CG-CE3 4.37Å; Q304-W337 WeakPolarHBondContact CG-O 3.48Å; P305-W337 WeakPolarHBondContact CD-O 3.28Å; I335-W337 PolarHBondContact O-N 3.43Å; W337-D339 HydrophobicContact CH2-CB 3.87Å; W337-D339 HydrophobicContact CZ2-CB 4.42Å; W337-D339 HydrophobicContact CZ3-CB 4.42Å
338	G	94.1	Very high	94.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.			trans	-153.8	163.7	167.4	0	0	0	0	0	110.5	P53	P53-G338 WeakPolarHBondContact CD-O 3.34Å
339	D	91.2	Very high	94.9	Very high	64 Å²	64	34.6 Å²	34.6	34%	0.342	19%	0.187	S	C	.	.			trans	-89.2	176.7	173.8	64.9	19	0	0	0	111.6	P53 W337 T341 H342	P53-D339 VanDerWaalsContact CG-C 3.4Å; P53-D339 WeakPolarHBondContact CG-O 3.26Å; W337-D339 HydrophobicContact CH2-CB 3.87Å; W337-D339 HydrophobicContact CZ2-CB 4.42Å; W337-D339 HydrophobicContact CZ3-CB 4.42Å; D339-T341 PolarHBondContact O-N 3.26Å; D339-T341 VanDerWaalsContact OD1-CB 3.23Å; D339-T341 WeakPolarHBondContact OD1-CB 3.42Å; D339-T341 WeakPolarHBondContact OD1-CG2 3.23Å; D339-T341 PolarHBondContact OD1-N 3.5Å; D339-T341 PolarHBondContact OD1-OG1 3.35Å; D339-H342 PolarHBondContact N-ND1 2.94Å; D339-H342 PolarHBondContact O-N 3.12Å; D339-H342 PolarHBondContact O-ND1 2.84Å; D339-H342 VanDerWaalsContact O-ND1 3.12Å; D339-H342 IonicContact OD1-CE1 3.43Å; D339-H342 IonicContact OD1-ND1 2.7Å; D339-H342 PolarHBondContact OD1-ND1 2.86Å; D339-H342 VanDerWaalsContact OD1-ND1 3.12Å
340	A	89.3	Confident	94.8	Very high	71 Å²	71	36.4 Å²	36.4	59%	0.587	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-60.6	-12.9	179	0	0	0	0	0	114.3	H342 G343	A340-H342 PolarHBondContact O-N 3.35Å; A340-G343 PolarHBondContact O-N 2.95Å
341	T	89.8	Confident	94.7	Very high	58 Å²	58	40.2 Å²	40.2	36%	0.356	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-67.1	-26.5	178.5	73.7	0	0	0	0	112.1	D339 G343 K344	D339-T341 PolarHBondContact O-N 3.26Å; D339-T341 VanDerWaalsContact OD1-CB 3.23Å; D339-T341 WeakPolarHBondContact OD1-CB 3.42Å; D339-T341 WeakPolarHBondContact OD1-CG2 3.23Å; D339-T341 PolarHBondContact OD1-N 3.5Å; D339-T341 PolarHBondContact OD1-OG1 3.35Å; T341-G343 VanDerWaalsContact C-N 3.27Å; T341-G343 PolarHBondContact O-N 3.48Å; T341-K344 WeakPolarHBondContact O-CB 3.43Å; T341-K344 PolarHBondContact O-N 3.37Å
342	H	86.5	Confident	94.7	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.028	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-66	-27.1	179.2	-67.4	76.8	0	0	0	113.3	V52 T306 D339 A340 L352	V52-H342 HydrophobicContact CG1-CB 3.66Å; T306-H342 PolarHBondContact OG1-NE2 3.04Å; D339-H342 PolarHBondContact N-ND1 2.94Å; D339-H342 PolarHBondContact O-N 3.12Å; D339-H342 PolarHBondContact O-ND1 2.84Å; D339-H342 VanDerWaalsContact O-ND1 3.12Å; D339-H342 IonicContact OD1-CE1 3.43Å; D339-H342 IonicContact OD1-ND1 2.7Å; D339-H342 PolarHBondContact OD1-ND1 2.86Å; D339-H342 VanDerWaalsContact OD1-ND1 3.12Å; A340-H342 PolarHBondContact O-N 3.35Å; H342-L352 HydrophobicContact CB-CD2 4.29Å
343	G	86.9	Confident	94.6	Very high	4 Å²	4	41 Å²	41	4%	0.041	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-100	1.4	177.1	0	0	0	0	0	114.7	A340 T341 N345	A340-G343 PolarHBondContact O-N 2.95Å; T341-G343 VanDerWaalsContact C-N 3.27Å; T341-G343 PolarHBondContact O-N 3.48Å; G343-N345 PolarHBondContact O-N 2.97Å
344	K	90.3	Very high	94.5	Very high	156 Å²	156	44.1 Å²	44.1	68%	0.678	25%	0.245	S	C	*	.	S	Bend	trans	-69.1	-40.1	-163.7	-174.5	177	-179.8	178.4	0	114.4	T341	T341-K344 WeakPolarHBondContact O-CB 3.43Å; T341-K344 PolarHBondContact O-N 3.37Å
345	N	93.4	Very high	94.4	Very high	62 Å²	62	44.6 Å²	44.6	33%	0.332	25%	0.247	S	C	.	.	S	Bend	trans	-143.9	161.8	-174.2	69.8	72.5	0	0	0	112	G343 T347 T348 C349	G343-N345 PolarHBondContact O-N 2.97Å; N345-T347 VanDerWaalsContact C-N 3.32Å; N345-T347 PolarHBondContact O-N 3.12Å; N345-T347 WeakPolarHBondContact OD1-CA 3.23Å; N345-T347 WeakPolarHBondContact OD1-CB 3.33Å; N345-T347 PolarHBondContact OD1-N 2.66Å; N345-T348 PolarHBondContact ND2-OG1 3.04Å; N345-T348 PolarHBondContact O-N 3.34Å; N345-T348 PolarHBondContact OD1-N 3.39Å; N345-T348 PolarHBondContact OD1-OG1 3.2Å; N345-C349 PolarHBondContact O-N 3.38Å; N345-C349 PolarHBondContact O-SG 3.44Å
346	K	95.8	Very high	94.3	Very high	133 Å²	133	44.6 Å²	44.6	58%	0.578	25%	0.247	S	C	*	.	H	α-helix	trans	-56.9	-41.1	-177.4	-174.5	173.4	-176.1	178.7	0	113.3	H61 I63 S350	H61-K346 HydrophobicContact CB-CB 4.05Å; H61-K346 HydrophobicContact CB-CG 4.16Å; H61-K346 PolarHBondContact ND1-N 3.18Å; I63-K346 HydrophobicContact CD1-CG 4.01Å; I63-K346 WeakPolarHBondContact CD1-O 3.39Å; K346-S350 WeakPolarHBondContact O-CB 3.27Å; K346-S350 PolarHBondContact O-N 2.94Å
347	T	96.2	Very high	94.1	Very high	90 Å²	90	47.4 Å²	47.4	55%	0.552	26%	0.26	S	S	*	.	H	α-helix	trans	-63.8	-51.1	-179.8	-53	0	0	0	0	110.6	N345 C349 S350 D351	N345-T347 VanDerWaalsContact C-N 3.32Å; N345-T347 PolarHBondContact O-N 3.12Å; N345-T347 WeakPolarHBondContact OD1-CA 3.23Å; N345-T347 WeakPolarHBondContact OD1-CB 3.33Å; N345-T347 PolarHBondContact OD1-N 2.66Å; T347-C349 PolarHBondContact O-N 3.01Å; T347-S350 WeakPolarHBondContact O-CB 3.49Å; T347-S350 PolarHBondContact O-N 3.35Å; T347-D351 WeakPolarHBondContact O-CB 3.44Å; T347-D351 VanDerWaalsContact O-CG 3.23Å; T347-D351 PolarHBondContact O-N 3.22Å
348	T	95.2	Very high	93.8	Very high	16 Å²	16	49.1 Å²	49.1	10%	0.098	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-43.5	178.6	-53.2	0	0	0	0	112.2	L311 N345 S350 L352	L311-T348 HydrophobicContact CD1-CG2 3.92Å; L311-T348 HydrophobicContact CD2-CG2 3.81Å; L311-T348 HydrophobicContact CG-CG2 4.43Å; N345-T348 PolarHBondContact ND2-OG1 3.04Å; N345-T348 PolarHBondContact O-N 3.34Å; N345-T348 PolarHBondContact OD1-N 3.39Å; N345-T348 PolarHBondContact OD1-OG1 3.2Å; T348-S350 VanDerWaalsContact C-N 3.32Å; T348-S350 PolarHBondContact O-N 3.37Å; T348-L352 VanDerWaalsContact O-CB 3.3Å; T348-L352 WeakPolarHBondContact O-CB 3.44Å; T348-L352 PolarHBondContact O-N 2.62Å
349	C	96.8	Very high	93.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-41.5	173.7	-69.8	0	0	0	0	111.8	C57 I63 F65 N345 T347 N353	C57-C349 VanDerWaalsContact CA-SG 3.6Å; C57-C349 HydrophobicContact CB-CB 3.74Å; C57-C349 WeakPolarHBondContact CB-SG 3.42Å; C57-C349 WeakPolarHBondContact SG-CB 3.32Å; C57-C349 CovalentContact SG-SG 2.04Å; C57-C349 PolarHBondContact SG-SG 3.13Å; I63-C349 HydrophobicContact CB-CB 4.33Å; I63-C349 HydrophobicContact CD1-CB 3.57Å; I63-C349 HydrophobicContact CG2-CB 4.33Å; F65-C349 WeakPolarHBondContact CZ-O 3.43Å; N345-C349 PolarHBondContact O-N 3.38Å; N345-C349 PolarHBondContact O-SG 3.44Å; T347-C349 PolarHBondContact O-N 3.01Å; C349-N353 WeakPolarHBondContact O-CB 3.23Å; C349-N353 PolarHBondContact O-N 2.97Å
350	S	97.3	Very high	94.2	Very high	49 Å²	49	48.2 Å²	48.2	34%	0.343	27%	0.269	S	S	.	.	H	α-helix	trans	-69.2	-44.6	-176.9	-175.6	0	0	0	0	111.6	K346 T347 T348 N353 S354	K346-S350 WeakPolarHBondContact O-CB 3.27Å; K346-S350 PolarHBondContact O-N 2.94Å; T347-S350 WeakPolarHBondContact O-CB 3.49Å; T347-S350 PolarHBondContact O-N 3.35Å; T348-S350 VanDerWaalsContact C-N 3.32Å; T348-S350 PolarHBondContact O-N 3.37Å; S350-N353 PolarHBondContact O-N 3.4Å; S350-S354 WeakPolarHBondContact O-CB 3.45Å; S350-S354 PolarHBondContact O-N 3.05Å; S350-S354 PolarHBondContact O-OG 2.02Å
351	D	96.8	Very high	94.5	Very high	84 Å²	84	45.3 Å²	45.3	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-64.3	-47.1	178.8	-65.6	-15.3	0	0	0	110.1	Q313 T347 N353 S354 Y355	Q313-D351 PolarHBondContact NE2-O 2.71Å; T347-D351 WeakPolarHBondContact O-CB 3.44Å; T347-D351 VanDerWaalsContact O-CG 3.23Å; T347-D351 PolarHBondContact O-N 3.22Å; D351-N353 PolarHBondContact O-N 3.2Å; D351-S354 PolarHBondContact O-N 3.5Å; D351-Y355 WeakPolarHBondContact O-CB 3.36Å; D351-Y355 PolarHBondContact O-N 3.13Å
352	L	97	Very high	94.8	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-40.6	177.8	-173.8	66.4	0	0	0	111.9	W50 V52 T54 F65 P305 H342 T348 Y355 L356	W50-L352 HydrophobicContact CH2-CD2 4.25Å; W50-L352 HydrophobicContact CH2-CG 4.48Å; W50-L352 HydrophobicContact CZ2-CD2 4.25Å; V52-L352 HydrophobicContact CG1-CD2 4.22Å; T54-L352 HydrophobicContact CG2-CD2 3.83Å; F65-L352 HydrophobicContact CE1-CB 4.14Å; F65-L352 HydrophobicContact CE1-CD2 3.87Å; F65-L352 HydrophobicContact CE1-CG 3.81Å; F65-L352 HydrophobicContact CZ-CB 4.23Å; F65-L352 HydrophobicContact CZ-CD2 4.06Å; F65-L352 HydrophobicContact CZ-CG 4.26Å; P305-L352 HydrophobicContact CB-CD1 4.02Å; P305-L352 HydrophobicContact CG-CD1 4.02Å; H342-L352 HydrophobicContact CB-CD2 4.29Å; T348-L352 VanDerWaalsContact O-CB 3.3Å; T348-L352 WeakPolarHBondContact O-CB 3.44Å; T348-L352 PolarHBondContact O-N 2.62Å; L352-Y355 HydrophobicContact CD1-CD1 4.44Å; L352-Y355 PolarHBondContact O-N 2.79Å; L352-L356 VanDerWaalsContact O-CB 3.29Å; L352-L356 WeakPolarHBondContact O-CB 3.5Å; L352-L356 PolarHBondContact O-N 3.43Å
353	N	97	Very high	95.4	Very high	21 Å²	21	46.9 Å²	46.9	11%	0.112	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-40.1	176.8	-179.5	59.4	0	0	0	111.7	I63 S64 F65 C349 S350 D351 L356 Q357	I63-N353 HydrophobicContact CG2-CB 3.71Å; S64-N353 PolarHBondContact O-OD1 2.96Å; F65-N353 HydrophobicContact CD1-CB 4.28Å; F65-N353 HydrophobicContact CE1-CB 3.84Å; F65-N353 HydrophobicContact CE2-CB 4.4Å; F65-N353 HydrophobicContact CZ-CB 3.91Å; C349-N353 WeakPolarHBondContact O-CB 3.23Å; C349-N353 PolarHBondContact O-N 2.97Å; S350-N353 PolarHBondContact O-N 3.4Å; D351-N353 PolarHBondContact O-N 3.2Å; N353-L356 PolarHBondContact O-N 2.84Å; N353-Q357 PolarHBondContact ND2-NE2 3.12Å; N353-Q357 VanDerWaalsContact ND2-NE2 3.14Å; N353-Q357 WeakPolarHBondContact O-CB 3.01Å; N353-Q357 VanDerWaalsContact O-CG 3.27Å; N353-Q357 WeakPolarHBondContact O-CG 3.07Å; N353-Q357 PolarHBondContact O-N 3Å; N353-Q357 PolarHBondContact OD1-NE2 3.25Å
354	S	96.8	Very high	95.9	Very high	67 Å²	67	46.7 Å²	46.7	47%	0.469	24%	0.241	S	C	.	.	H	α-helix	trans	-63.6	-45.2	176.8	-57.5	0	0	0	0	111.3	S350 D351 Q357 D358	S350-S354 WeakPolarHBondContact O-CB 3.45Å; S350-S354 PolarHBondContact O-N 3.05Å; S350-S354 PolarHBondContact O-OG 2.02Å; D351-S354 PolarHBondContact O-N 3.5Å; S354-Q357 PolarHBondContact O-N 3.45Å; S354-D358 PolarHBondContact O-N 3.44Å; S354-D358 VanDerWaalsContact O-N 3.17Å
355	Y	97.6	Very high	96.2	Very high	11 Å²	11	40.5 Å²	40.5	4%	0.043	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-41.4	175.4	173.7	-113.4	0	0	0	113.2	P305 Q313 L314 L319 D351 L352 D358 T359 L360	P305-Y355 HydrophobicContact CB-CE1 4.17Å; P305-Y355 WeakPolarHBondContact O-CE1 3.48Å; Q313-Y355 HydrophobicContact CB-CD1 4.1Å; Q313-Y355 HydrophobicContact CB-CD2 3.95Å; Q313-Y355 HydrophobicContact CB-CE1 4.07Å; Q313-Y355 HydrophobicContact CB-CE2 3.95Å; Q313-Y355 HydrophobicContact CB-CG 4.02Å; Q313-Y355 VanDerWaalsContact CD-CG 3.43Å; Q313-Y355 HydrophobicContact CG-CD1 3.82Å; Q313-Y355 HydrophobicContact CG-CD2 4.21Å; Q313-Y355 HydrophobicContact CG-CE1 4.24Å; Q313-Y355 HydrophobicContact CG-CG 3.79Å; Q313-Y355 VanDerWaalsContact NE2-CB 3.27Å; Q313-Y355 VanDerWaalsContact OE1-CB 3.28Å; L314-Y355 WeakPolarHBondContact O-CE2 3.49Å; L314-Y355 PolarHBondContact O-OH 3.11Å; L319-Y355 WeakPolarHBondContact CD2-OH 3.24Å; D351-Y355 WeakPolarHBondContact O-CB 3.36Å; D351-Y355 PolarHBondContact O-N 3.13Å; L352-Y355 HydrophobicContact CD1-CD1 4.44Å; L352-Y355 PolarHBondContact O-N 2.79Å; Y355-D358 PolarHBondContact O-N 2.86Å; Y355-T359 HydrophobicContact CD2-CG2 4.45Å; Y355-T359 HydrophobicContact CE2-CG2 3.87Å; Y355-T359 PolarHBondContact O-N 2.94Å; Y355-L360 HydrophobicContact CD1-CB 4.11Å; Y355-L360 HydrophobicContact CD1-CD2 4.36Å; Y355-L360 HydrophobicContact CE1-CB 3.77Å; Y355-L360 HydrophobicContact CE1-CD2 4Å; Y355-L360 HydrophobicContact CE1-CG 4.37Å; Y355-L360 HydrophobicContact CE2-CB 4.45Å; Y355-L360 PolarHBondContact O-N 2.63Å
356	L	96.5	Very high	96.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-59.4	-50.9	174	178.6	65.6	0	0	0	110.2	W50 F65 Q66 L67 F70 L352 N353 D358 L360 S361	W50-L356 HydrophobicContact CZ3-CD1 4.32Å; F65-L356 HydrophobicContact CB-CD2 4.27Å; F65-L356 HydrophobicContact CD1-CD2 3.65Å; F65-L356 HydrophobicContact CG-CD2 4.46Å; Q66-L356 WeakPolarHBondContact O-CD2 3.23Å; L67-L356 HydrophobicContact CD2-CD2 3.58Å; F70-L356 HydrophobicContact CE2-CD1 4.06Å; F70-L356 HydrophobicContact CZ-CD1 4.33Å; L352-L356 VanDerWaalsContact O-CB 3.29Å; L352-L356 WeakPolarHBondContact O-CB 3.5Å; L352-L356 PolarHBondContact O-N 3.43Å; N353-L356 PolarHBondContact O-N 2.84Å; L356-D358 PolarHBondContact O-N 2.84Å; L356-L360 HydrophobicContact CD1-CD2 3.69Å; L356-L360 HydrophobicContact CD1-CG 4.13Å; L356-S361 WeakPolarHBondContact O-CB 3.38Å; L356-S361 PolarHBondContact O-N 3.49Å; L356-S361 PolarHBondContact O-OG 2.96Å
357	Q	93.4	Very high	96.6	Very high	62 Å²	62	32.8 Å²	32.8	29%	0.29	18%	0.181	S	C	.	.	I	π-helix	trans	-65.2	-25.3	-174.6	-74.5	-176.4	11.6	0	0	113.5	N353 S354 R407	N353-Q357 PolarHBondContact ND2-NE2 3.12Å; N353-Q357 VanDerWaalsContact ND2-NE2 3.14Å; N353-Q357 WeakPolarHBondContact O-CB 3.01Å; N353-Q357 VanDerWaalsContact O-CG 3.27Å; N353-Q357 WeakPolarHBondContact O-CG 3.07Å; N353-Q357 PolarHBondContact O-N 3Å; N353-Q357 PolarHBondContact OD1-NE2 3.25Å; S354-Q357 PolarHBondContact O-N 3.45Å; Q357-R407 PolarHBondContact O-NH2 3.2Å
358	D	92.1	Very high	96.6	Very high	74 Å²	74	29 Å²	29	40%	0.396	16%	0.158	S	C	.	.	I	π-helix	trans	-109.2	-94.3	-179.9	-167.9	53.2	0	0	0	112.6	S354 Y355 L356 L360 S361 R362	S354-D358 PolarHBondContact O-N 3.44Å; S354-D358 VanDerWaalsContact O-N 3.17Å; Y355-D358 PolarHBondContact O-N 2.86Å; L356-D358 PolarHBondContact O-N 2.84Å; D358-L360 PolarHBondContact O-N 3.43Å; D358-S361 PolarHBondContact O-N 3.14Å; D358-R362 WeakPolarHBondContact O-CB 3.3Å; D358-R362 VanDerWaalsContact O-CG 3.24Å; D358-R362 WeakPolarHBondContact O-CG 3.4Å; D358-R362 PolarHBondContact O-N 2.7Å; D358-R362 IonicContact OD1-CZ 2.99Å; D358-R362 IonicContact OD1-NE 2.73Å; D358-R362 PolarHBondContact OD1-NE 3Å; D358-R362 IonicContact OD1-NH2 3.71Å
359	T	96.3	Very high	96.7	Very high	45 Å²	45	29.6 Å²	29.6	28%	0.276	16%	0.161	S	C	.	.	I	π-helix	trans	-55.3	-52.1	-168.9	-47.8	0	0	0	0	112.9	E316 L319 Y355 Y363	E316-T359 HydrophobicContact CB-CG2 4.37Å; L319-T359 HydrophobicContact CD1-CG2 4.09Å; Y355-T359 HydrophobicContact CD2-CG2 4.45Å; Y355-T359 HydrophobicContact CE2-CG2 3.87Å; Y355-T359 PolarHBondContact O-N 2.94Å; T359-Y363 WeakPolarHBondContact O-CB 3.38Å; T359-Y363 PolarHBondContact O-N 3.49Å; T359-Y363 VanDerWaalsContact O-N 3.12Å
360	L	97.6	Very high	96.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-68.8	-48.4	-174.4	175.9	62.2	0	0	0	111.4	W50 P305 L319 I323 L336 Y355 L356 D358 R362 Y363 L364	W50-L360 HydrophobicContact CZ3-CD2 4.27Å; P305-L360 HydrophobicContact CB-CD2 4.35Å; L319-L360 HydrophobicContact CD1-CD1 4.3Å; L319-L360 HydrophobicContact CD2-CD1 3.84Å; I323-L360 HydrophobicContact CD1-CD1 4.36Å; L336-L360 HydrophobicContact CD1-CD1 4.3Å; L336-L360 HydrophobicContact CD1-CD2 4.05Å; Y355-L360 HydrophobicContact CD1-CB 4.11Å; Y355-L360 HydrophobicContact CD1-CD2 4.36Å; Y355-L360 HydrophobicContact CE1-CB 3.77Å; Y355-L360 HydrophobicContact CE1-CD2 4Å; Y355-L360 HydrophobicContact CE1-CG 4.37Å; Y355-L360 HydrophobicContact CE2-CB 4.45Å; Y355-L360 PolarHBondContact O-N 2.63Å; L356-L360 HydrophobicContact CD1-CD2 3.69Å; L356-L360 HydrophobicContact CD1-CG 4.13Å; D358-L360 PolarHBondContact O-N 3.43Å; L360-R362 VanDerWaalsContact C-N 3.35Å; L360-R362 PolarHBondContact O-N 3.08Å; L360-Y363 PolarHBondContact O-N 3.24Å; L360-L364 HydrophobicContact CD1-CD1 3.9Å; L360-L364 HydrophobicContact CD1-CD2 4.35Å; L360-L364 HydrophobicContact CD1-CG 3.87Å; L360-L364 HydrophobicContact CG-CD1 3.88Å; L360-L364 HydrophobicContact CG-CG 4.25Å; L360-L364 WeakPolarHBondContact O-CB 3.35Å; L360-L364 VanDerWaalsContact O-CG 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.39Å; L360-L364 PolarHBondContact O-N 3.04Å
361	S	96.4	Very high	96.8	Very high	9 Å²	9	27.5 Å²	27.5	6%	0.063	15%	0.147	C	C	.	.	H	α-helix	trans	-66.8	-35.4	-178.8	-69.3	0	0	0	0	112.8	Q69 L356 D358 Y363 L365	Q69-S361 VanDerWaalsContact CD-O 3.3Å; Q69-S361 PolarHBondContact NE2-O 3.2Å; Q69-S361 PolarHBondContact OE1-O 3.07Å; L356-S361 WeakPolarHBondContact O-CB 3.38Å; L356-S361 PolarHBondContact O-N 3.49Å; L356-S361 PolarHBondContact O-OG 2.96Å; D358-S361 PolarHBondContact O-N 3.14Å; S361-Y363 VanDerWaalsContact C-N 3.34Å; S361-L365 WeakPolarHBondContact O-CB 3.5Å; S361-L365 PolarHBondContact O-N 3.35Å
362	R	96.2	Very high	96.8	Very high	89 Å²	89	25.4 Å²	25.4	34%	0.336	14%	0.135	S	C	.	.	H	α-helix	trans	-62.2	-45.3	174.2	-73.8	174.6	-176.6	-80.9	4	111	D358 L360 L365 N366 I405 L412	D358-R362 WeakPolarHBondContact O-CB 3.3Å; D358-R362 VanDerWaalsContact O-CG 3.24Å; D358-R362 WeakPolarHBondContact O-CG 3.4Å; D358-R362 PolarHBondContact O-N 2.7Å; D358-R362 IonicContact OD1-CZ 2.99Å; D358-R362 IonicContact OD1-NE 2.73Å; D358-R362 PolarHBondContact OD1-NE 3Å; D358-R362 IonicContact OD1-NH2 3.71Å; L360-R362 VanDerWaalsContact C-N 3.35Å; L360-R362 PolarHBondContact O-N 3.08Å; R362-L365 PolarHBondContact O-N 3.04Å; R362-N366 WeakPolarHBondContact O-CB 3.4Å; R362-N366 PolarHBondContact O-N 3.46Å; R362-I405 HydrophobicContact CG-CG2 4.36Å; R362-I405 WeakPolarHBondContact O-CD1 3.35Å; R362-L412 HydrophobicContact CG-CD1 4.01Å; R362-L412 HydrophobicContact CG-CD2 4.21Å
363	Y	98	Very high	96.8	Very high	8 Å²	8	26.6 Å²	26.6	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-66.5	-44.1	179.4	-176.6	-96.5	0	0	0	112.5	L319 V320 I323 G324 T359 L360 S361 L365 N366 V367 H397	L319-Y363 HydrophobicContact CB-CD1 3.64Å; L319-Y363 HydrophobicContact CB-CD2 4.32Å; L319-Y363 HydrophobicContact CB-CE1 3.87Å; L319-Y363 HydrophobicContact CB-CG 3.89Å; L319-Y363 HydrophobicContact CD1-CD1 4.17Å; L319-Y363 HydrophobicContact CD1-CG 4.03Å; L319-Y363 HydrophobicContact CG-CD1 4.4Å; L319-Y363 WeakPolarHBondContact O-CE1 3.41Å; L319-Y363 PolarHBondContact O-OH 3.38Å; V320-Y363 WeakPolarHBondContact CA-OH 3.42Å; V320-Y363 HydrophobicContact CG2-CD2 4.48Å; V320-Y363 HydrophobicContact CG2-CE2 3.6Å; I323-Y363 HydrophobicContact CB-CE1 3.79Å; I323-Y363 HydrophobicContact CG2-CD1 4.47Å; I323-Y363 HydrophobicContact CG2-CE1 3.74Å; G324-Y363 WeakPolarHBondContact CA-OH 3.48Å; G324-Y363 PolarHBondContact N-OH 3.13Å; T359-Y363 WeakPolarHBondContact O-CB 3.38Å; T359-Y363 PolarHBondContact O-N 3.49Å; T359-Y363 VanDerWaalsContact O-N 3.12Å; L360-Y363 PolarHBondContact O-N 3.24Å; S361-Y363 VanDerWaalsContact C-N 3.34Å; Y363-L365 PolarHBondContact O-N 2.97Å; Y363-N366 WeakPolarHBondContact O-CB 3.45Å; Y363-N366 PolarHBondContact O-N 3.49Å; Y363-V367 HydrophobicContact CE1-CB 4.38Å; Y363-V367 HydrophobicContact CE1-CG1 4.17Å; Y363-V367 WeakPolarHBondContact O-CG1 3.38Å; Y363-V367 PolarHBondContact O-N 2.95Å; Y363-H397 AromaticContact CE2-NE2 3.46Å; Y363-H397 WeakPolarHBondContact CE2-NE2 3.35Å; Y363-H397 AromaticContact CZ-NE2 3.6Å; Y363-H397 PolarHBondContact OH-NE2 3.39Å
364	L	98.3	Very high	96.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.1	-42	176.8	-73.4	179.3	0	0	0	112	L48 Q69 F70 I323 L336 L360 N366 V367 S368	L48-L364 HydrophobicContact CD1-CB 4.1Å; L48-L364 HydrophobicContact CD1-CD2 4.02Å; L48-L364 HydrophobicContact CD1-CG 4.45Å; L48-L364 HydrophobicContact CD2-CD2 4.01Å; Q69-L364 VanDerWaalsContact OE1-CB 3.24Å; F70-L364 HydrophobicContact CE1-CD1 3.77Å; F70-L364 HydrophobicContact CE2-CD1 4.27Å; F70-L364 HydrophobicContact CZ-CD1 3.43Å; F70-L364 VanDerWaalsContact CZ-CD1 3.43Å; I323-L364 HydrophobicContact CD1-CD2 3.78Å; I323-L364 HydrophobicContact CG2-CD2 4.4Å; L336-L364 HydrophobicContact CD1-CD1 4.34Å; L360-L364 HydrophobicContact CD1-CD1 3.9Å; L360-L364 HydrophobicContact CD1-CD2 4.35Å; L360-L364 HydrophobicContact CD1-CG 3.87Å; L360-L364 HydrophobicContact CG-CD1 3.88Å; L360-L364 HydrophobicContact CG-CG 4.25Å; L360-L364 WeakPolarHBondContact O-CB 3.35Å; L360-L364 VanDerWaalsContact O-CG 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.39Å; L360-L364 PolarHBondContact O-N 3.04Å; L364-N366 VanDerWaalsContact C-N 3.34Å; L364-V367 WeakPolarHBondContact O-CG1 3.4Å; L364-S368 VanDerWaalsContact O-CB 3.27Å; L364-S368 WeakPolarHBondContact O-CB 3.33Å; L364-S368 PolarHBondContact O-N 2.93Å; L364-S368 PolarHBondContact O-OG 3.21Å
365	L	96.8	Very high	96.9	Very high	27 Å²	27	22.5 Å²	22.5	14%	0.141	11%	0.114	C	C	.	.	H	α-helix	trans	-63.9	-40.9	174.9	-175.9	59.9	0	0	0	111.8	S361 R362 Y363 S368 T369 I405 L412 V414	S361-L365 WeakPolarHBondContact O-CB 3.5Å; S361-L365 PolarHBondContact O-N 3.35Å; R362-L365 PolarHBondContact O-N 3.04Å; Y363-L365 PolarHBondContact O-N 2.97Å; L365-S368 PolarHBondContact O-OG 3.35Å; L365-T369 VanDerWaalsContact O-CB 3.23Å; L365-T369 WeakPolarHBondContact O-CB 3.39Å; L365-T369 PolarHBondContact O-N 3.04Å; L365-T369 VanDerWaalsContact O-N 3.09Å; L365-T369 PolarHBondContact O-OG1 3.19Å; L365-I405 HydrophobicContact CD2-CG2 3.98Å; L365-L412 HydrophobicContact CD2-CB 3.71Å; L365-V414 HydrophobicContact CD1-CG2 4.13Å; L365-V414 HydrophobicContact CD2-CG2 3.93Å; L365-V414 HydrophobicContact CG-CG2 3.8Å
366	N	97.4	Very high	96.8	Very high	33 Å²	33	26.7 Å²	26.7	18%	0.176	13%	0.134	C	C	.	.	H	α-helix	trans	-57.3	-60.4	176.3	-175.1	-27.2	0	0	0	110.9	R362 Y363 L364 S368 T369 A370 H397 L398 I405	R362-N366 WeakPolarHBondContact O-CB 3.4Å; R362-N366 PolarHBondContact O-N 3.46Å; Y363-N366 WeakPolarHBondContact O-CB 3.45Å; Y363-N366 PolarHBondContact O-N 3.49Å; L364-N366 VanDerWaalsContact C-N 3.34Å; N366-S368 PolarHBondContact O-N 2.69Å; N366-T369 PolarHBondContact O-N 3.17Å; N366-A370 WeakPolarHBondContact O-CB 3.43Å; N366-A370 PolarHBondContact O-N 3.17Å; N366-H397 WeakPolarHBondContact OD1-CA 3.3Å; N366-H397 WeakPolarHBondContact OD1-CB 3.28Å; N366-L398 PolarHBondContact OD1-N 3.37Å; N366-I405 HydrophobicContact CB-CD1 3.71Å
367	V	98.3	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.2	-38.1	-173.3	70.3	0	0	0	0	112.9	L46 I323 V327 Y363 L364 A371	L46-V367 HydrophobicContact CD2-CG1 4.49Å; I323-V367 HydrophobicContact CG2-CG1 3.99Å; V327-V367 HydrophobicContact CB-CG2 3.87Å; V327-V367 HydrophobicContact CG1-CG2 3.89Å; V327-V367 HydrophobicContact CG2-CG2 3.85Å; Y363-V367 HydrophobicContact CE1-CB 4.38Å; Y363-V367 HydrophobicContact CE1-CG1 4.17Å; Y363-V367 WeakPolarHBondContact O-CG1 3.38Å; Y363-V367 PolarHBondContact O-N 2.95Å; L364-V367 WeakPolarHBondContact O-CG1 3.4Å; V367-A371 WeakPolarHBondContact O-CB 3.46Å; V367-A371 PolarHBondContact O-N 3.11Å
368	S	98.1	Very high	96.9	Very high	11 Å²	11	27.5 Å²	27.5	8%	0.077	14%	0.142	C	C	.	.	H	α-helix	trans	-69.6	-43.9	179.1	56.1	0	0	0	0	112.2	L364 L365 N366 A370 A371 E372	L364-S368 VanDerWaalsContact O-CB 3.27Å; L364-S368 WeakPolarHBondContact O-CB 3.33Å; L364-S368 PolarHBondContact O-N 2.93Å; L364-S368 PolarHBondContact O-OG 3.21Å; L365-S368 PolarHBondContact O-OG 3.35Å; N366-S368 PolarHBondContact O-N 2.69Å; S368-A370 PolarHBondContact O-N 3.48Å; S368-A371 PolarHBondContact O-N 3.26Å; S368-E372 WeakPolarHBondContact O-CG 3.33Å; S368-E372 PolarHBondContact O-N 2.87Å
369	T	96.9	Very high	97.1	Very high	27 Å²	27	24 Å²	24	17%	0.166	12%	0.123	C	C	.	.	H	α-helix	trans	-64.4	-42.3	177.4	-50.6	0	0	0	0	110.7	L365 N366 A371 E372 L373 L398 V414	L365-T369 VanDerWaalsContact O-CB 3.23Å; L365-T369 WeakPolarHBondContact O-CB 3.39Å; L365-T369 PolarHBondContact O-N 3.04Å; L365-T369 VanDerWaalsContact O-N 3.09Å; L365-T369 PolarHBondContact O-OG1 3.19Å; N366-T369 PolarHBondContact O-N 3.17Å; T369-A371 VanDerWaalsContact C-N 3.33Å; T369-A371 PolarHBondContact O-N 3.39Å; T369-E372 PolarHBondContact O-N 2.92Å; T369-L373 HydrophobicContact CG2-CD1 4.12Å; T369-L373 HydrophobicContact CG2-CG 4.33Å; T369-L373 VanDerWaalsContact O-CG 3.31Å; T369-L373 WeakPolarHBondContact O-CG 3.43Å; T369-L373 PolarHBondContact O-N 3.41Å; T369-L398 HydrophobicContact CG2-CD1 4.34Å; T369-L398 HydrophobicContact CG2-CD2 3.92Å; T369-V414 HydrophobicContact CG2-CG2 4.19Å
370	A	96.9	Very high	97.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-39.7	176.4	0	0	0	0	0	112.5	N366 S368 L373 C374 L396 H397 L398	N366-A370 WeakPolarHBondContact O-CB 3.43Å; N366-A370 PolarHBondContact O-N 3.17Å; S368-A370 PolarHBondContact O-N 3.48Å; A370-L373 PolarHBondContact O-N 3.14Å; A370-C374 WeakPolarHBondContact O-CB 3.36Å; A370-C374 PolarHBondContact O-N 3.42Å; A370-L396 VanDerWaalsContact CB-C 3.44Å; A370-L396 HydrophobicContact CB-CB 4.23Å; A370-L396 WeakPolarHBondContact CB-O 3.35Å; A370-H397 VanDerWaalsContact CB-C 3.49Å; A370-L398 HydrophobicContact CB-CD2 4.14Å; A370-L398 HydrophobicContact CB-CG 4.42Å
371	A	98.1	Very high	97.1	Very high	6 Å²	6	26 Å²	26	5%	0.05	14%	0.139	C	C	.	.	H	α-helix	trans	-64.7	-40.1	175.1	0	0	0	0	0	112.4	P45 L46 V327 V367 S368 T369 S375 L396	P45-A371 HydrophobicContact CG-CB 4.33Å; P45-A371 WeakPolarHBondContact CG-O 3.48Å; L46-A371 HydrophobicContact CB-CB 4.26Å; V327-A371 HydrophobicContact CG1-CB 4.16Å; V367-A371 WeakPolarHBondContact O-CB 3.46Å; V367-A371 PolarHBondContact O-N 3.11Å; S368-A371 PolarHBondContact O-N 3.26Å; T369-A371 VanDerWaalsContact C-N 3.33Å; T369-A371 PolarHBondContact O-N 3.39Å; A371-S375 WeakPolarHBondContact O-CB 3.28Å; A371-S375 PolarHBondContact O-N 2.84Å; A371-L396 HydrophobicContact CB-CD1 4.3Å
372	E	97.6	Very high	97.2	Very high	40 Å²	40	28.7 Å²	28.7	19%	0.187	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-49.5	174.3	-74.7	171.5	-146.1	0	0	111.7	K44 P45 S368 T369 C374 S375 Q376	K44-E372 HydrophobicContact CD-CG 4.39Å; K44-E372 WeakPolarHBondContact CD-OE1 3.24Å; K44-E372 WeakPolarHBondContact CE-OE1 3.37Å; K44-E372 IonicContact NZ-OE1 3.41Å; K44-E372 PolarHBondContact NZ-OE1 2.89Å; K44-E372 IonicContact NZ-OE2 3.73Å; K44-E372 PolarHBondContact NZ-OE2 2.82Å; P45-E372 HydrophobicContact CG-CG 4.26Å; S368-E372 WeakPolarHBondContact O-CG 3.33Å; S368-E372 PolarHBondContact O-N 2.87Å; T369-E372 PolarHBondContact O-N 2.92Å; E372-C374 VanDerWaalsContact C-N 3.34Å; E372-C374 PolarHBondContact O-N 3.28Å; E372-S375 PolarHBondContact O-N 3.46Å; E372-Q376 WeakPolarHBondContact O-CB 3.44Å; E372-Q376 PolarHBondContact O-N 2.92Å
373	L	96.2	Very high	97.2	Very high	29 Å²	29	24.4 Å²	24.4	15%	0.152	13%	0.134	C	C	.	.	H	α-helix	trans	-62.1	-40.8	178.4	-69.8	174.8	0	0	0	112.1	T369 A370 Q376 T377 L398 L418 F426	T369-L373 HydrophobicContact CG2-CD1 4.12Å; T369-L373 HydrophobicContact CG2-CG 4.33Å; T369-L373 VanDerWaalsContact O-CG 3.31Å; T369-L373 WeakPolarHBondContact O-CG 3.43Å; T369-L373 PolarHBondContact O-N 3.41Å; A370-L373 PolarHBondContact O-N 3.14Å; L373-Q376 PolarHBondContact O-N 2.72Å; L373-T377 WeakPolarHBondContact O-CB 3.45Å; L373-T377 PolarHBondContact O-N 2.9Å; L373-T377 PolarHBondContact O-OG1 2.04Å; L373-L398 HydrophobicContact CD1-CD2 3.74Å; L373-L418 HydrophobicContact CB-CD1 4.04Å; L373-L418 HydrophobicContact CD1-CD1 3.94Å; L373-L418 HydrophobicContact CD2-CD1 4.11Å; L373-L418 HydrophobicContact CG-CD1 4.25Å; L373-F426 HydrophobicContact CB-CE2 4.05Å; L373-F426 HydrophobicContact CB-CZ 4.25Å
374	C	97.6	Very high	97.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.9	-45.5	176.4	-171.1	0	0	0	0	111.5	A370 E372 Q376 T377 L378 C385 L396 F426	A370-C374 WeakPolarHBondContact O-CB 3.36Å; A370-C374 PolarHBondContact O-N 3.42Å; E372-C374 VanDerWaalsContact C-N 3.34Å; E372-C374 PolarHBondContact O-N 3.28Å; C374-Q376 VanDerWaalsContact C-N 3.32Å; C374-Q376 PolarHBondContact O-N 3.48Å; C374-T377 PolarHBondContact O-N 2.02Å; C374-L378 WeakPolarHBondContact O-CB 3.36Å; C374-L378 PolarHBondContact O-N 3.03Å; C374-C385 HydrophobicContact CB-CB 3.86Å; C374-C385 WeakPolarHBondContact CB-SG 3.39Å; C374-C385 PolarHBondContact O-SG 2.83Å; C374-C385 VanDerWaalsContact O-SG 3.42Å; C374-C385 WeakPolarHBondContact SG-CB 3.38Å; C374-C385 CovalentContact SG-SG 2.02Å; C374-C385 PolarHBondContact SG-SG 3.23Å; C374-L396 HydrophobicContact CB-CD2 3.7Å; C374-F426 HydrophobicContact CB-CD1 4.04Å; C374-F426 HydrophobicContact CB-CD2 4.1Å; C374-F426 HydrophobicContact CB-CE1 4.08Å; C374-F426 HydrophobicContact CB-CE2 4.13Å; C374-F426 HydrophobicContact CB-CG 4.06Å; C374-F426 HydrophobicContact CB-CZ 4.13Å
375	S	98.1	Very high	97.2	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.014	14%	0.137	C	C	.	.	H	α-helix	trans	-59.1	-42.6	175.8	177.3	0	0	0	0	112.1	A371 E372 C379 G380 F381 G383	A371-S375 WeakPolarHBondContact O-CB 3.28Å; A371-S375 PolarHBondContact O-N 2.84Å; E372-S375 PolarHBondContact O-N 3.46Å; S375-C379 CarbonylContact O-C 3.22Å; S375-C379 WeakPolarHBondContact O-CA 3.47Å; S375-C379 WeakPolarHBondContact O-CB 3.12Å; S375-C379 PolarHBondContact O-N 2.97Å; S375-C379 VanDerWaalsContact O-N 3.14Å; S375-G380 PolarHBondContact O-N 3.18Å; S375-F381 PolarHBondContact O-N 2.75Å; S375-G383 WeakPolarHBondContact CB-O 3.34Å; S375-G383 PolarHBondContact OG-O 2.81Å
376	Q	96.4	Very high	97.2	Very high	99 Å²	99	24.5 Å²	24.5	46%	0.463	14%	0.135	S	C	.	.	H	α-helix	trans	-62.4	-49.5	175.5	-175.5	170.3	11.3	0	0	112	E372 L373 C374 G380 F381	E372-Q376 WeakPolarHBondContact O-CB 3.44Å; E372-Q376 PolarHBondContact O-N 2.92Å; L373-Q376 PolarHBondContact O-N 2.72Å; C374-Q376 VanDerWaalsContact C-N 3.32Å; C374-Q376 PolarHBondContact O-N 3.48Å; Q376-G380 WeakPolarHBondContact O-CA 3.24Å; Q376-G380 PolarHBondContact O-N 3.26Å; Q376-F381 HydrophobicContact CB-CD1 4.27Å; Q376-F381 HydrophobicContact CB-CD2 4.16Å; Q376-F381 HydrophobicContact CB-CE1 3.73Å; Q376-F381 HydrophobicContact CB-CE2 3.62Å; Q376-F381 HydrophobicContact CB-CG 4.47Å; Q376-F381 HydrophobicContact CB-CZ 3.39Å; Q376-F381 HydrophobicContact CG-CD2 4.02Å; Q376-F381 HydrophobicContact CG-CE1 4.41Å; Q376-F381 HydrophobicContact CG-CE2 3.36Å; Q376-F381 HydrophobicContact CG-CZ 3.61Å
377	T	94.8	Very high	97.2	Very high	47 Å²	47	23.1 Å²	23.1	29%	0.288	13%	0.127	S	C	.	.	H	α-helix	trans	-78.4	-47.5	-167.6	-58.3	0	0	0	0	112.1	L373 C374 L418 K423	L373-T377 WeakPolarHBondContact O-CB 3.45Å; L373-T377 PolarHBondContact O-N 2.9Å; L373-T377 PolarHBondContact O-OG1 2.04Å; C374-T377 PolarHBondContact O-N 2.02Å; T377-L418 HydrophobicContact CG2-CD2 4.36Å; T377-L418 WeakPolarHBondContact OG1-CD2 2.96Å; T377-K423 HydrophobicContact CG2-CB 4.09Å; T377-K423 HydrophobicContact CG2-CD 4.12Å; T377-K423 HydrophobicContact CG2-CG 3.7Å
378	L	96.2	Very high	97.1	Very high	32 Å²	32	26.1 Å²	26.1	17%	0.168	14%	0.14	C	C	.	.	H	α-helix	trans	-90.6	-34.1	-176.2	-63.3	-167.6	0	0	0	112.8	C374 F426 D427 F430 C432 G442	C374-L378 WeakPolarHBondContact O-CB 3.36Å; C374-L378 PolarHBondContact O-N 3.03Å; L378-F426 HydrophobicContact CD1-CB 3.74Å; L378-F426 HydrophobicContact CD2-CB 4.19Å; L378-F426 HydrophobicContact CG-CB 3.93Å; L378-D427 HydrophobicContact CD2-CB 3.99Å; L378-F430 HydrophobicContact CD1-CB 4.27Å; L378-C432 PolarHBondContact O-SG 3.43Å; L378-C432 VanDerWaalsContact O-SG 3.39Å; L378-G442 VanDerWaalsContact O-CA 3.24Å; L378-G442 WeakPolarHBondContact O-CA 3.46Å
379	C	97.2	Very high	97	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-116.3	4.8	-167.7	-43	0	0	0	0	113.7	S375 F381 H382 G383 C432 G442	S375-C379 CarbonylContact O-C 3.22Å; S375-C379 WeakPolarHBondContact O-CA 3.47Å; S375-C379 WeakPolarHBondContact O-CB 3.12Å; S375-C379 PolarHBondContact O-N 2.97Å; S375-C379 VanDerWaalsContact O-N 3.14Å; C379-F381 PolarHBondContact O-N 2.95Å; C379-F381 VanDerWaalsContact O-N 3.13Å; C379-H382 WeakPolarHBondContact O-CA 3.48Å; C379-H382 WeakPolarHBondContact O-CB 3.43Å; C379-H382 PolarHBondContact O-N 2.98Å; C379-G383 PolarHBondContact O-N 3.23Å; C379-C432 WeakPolarHBondContact CA-SG 3.41Å; C379-C432 HydrophobicContact CB-CB 3.93Å; C379-C432 WeakPolarHBondContact CB-SG 3.41Å; C379-C432 WeakPolarHBondContact SG-CB 3.31Å; C379-C432 CovalentContact SG-SG 2.04Å; C379-C432 PolarHBondContact SG-SG 2.81Å; C379-G442 CarbonylContact C-O 3.55Å; C379-G442 VanDerWaalsContact CA-O 3.31Å; C379-G442 WeakPolarHBondContact CA-O 3.43Å
380	G	96.3	Very high	96.9	Very high	38 Å²	38	33.3 Å²	33.3	39%	0.392	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	28.2	179.7	0	0	0	0	0	115	S375 Q376 H382	S375-G380 PolarHBondContact O-N 3.18Å; Q376-G380 WeakPolarHBondContact O-CA 3.24Å; Q376-G380 PolarHBondContact O-N 3.26Å; G380-H382 PolarHBondContact O-N 2.87Å; G380-H382 VanDerWaalsContact O-N 3.1Å
381	F	97.6	Very high	96.9	Very high	50 Å²	50	38 Å²	38	22%	0.219	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	7.2	-167	-67.3	-63.8	0	0	0	115.8	Q43 S375 Q376 C379	Q43-F381 HydrophobicContact CB-CD1 4.18Å; Q43-F381 HydrophobicContact CB-CE1 4.04Å; Q43-F381 HydrophobicContact CB-CZ 4.43Å; Q43-F381 HydrophobicContact CG-CD1 4.24Å; Q43-F381 HydrophobicContact CG-CD2 4.44Å; Q43-F381 HydrophobicContact CG-CE1 4.35Å; Q43-F381 HydrophobicContact CG-CG 4.27Å; Q43-F381 HydrophobicContact CG-CZ 4.48Å; S375-F381 PolarHBondContact O-N 2.75Å; Q376-F381 HydrophobicContact CB-CD1 4.27Å; Q376-F381 HydrophobicContact CB-CD2 4.16Å; Q376-F381 HydrophobicContact CB-CE1 3.73Å; Q376-F381 HydrophobicContact CB-CE2 3.62Å; Q376-F381 HydrophobicContact CB-CG 4.47Å; Q376-F381 HydrophobicContact CB-CZ 3.39Å; Q376-F381 HydrophobicContact CG-CD2 4.02Å; Q376-F381 HydrophobicContact CG-CE1 4.41Å; Q376-F381 HydrophobicContact CG-CE2 3.36Å; Q376-F381 HydrophobicContact CG-CZ 3.61Å; C379-F381 PolarHBondContact O-N 2.95Å; C379-F381 VanDerWaalsContact O-N 3.13Å
382	H	97.8	Very high	96.8	Very high	64 Å²	64	39.3 Å²	39.3	30%	0.296	21%	0.209	S	C	.	.	S	Bend	trans	-97.2	10.1	175	-54.7	142	0	0	0	112.7	W38 C379 G380 Y435 F438 C443	W38-H382 AromaticContact CH2-CD2 3.88Å; C379-H382 WeakPolarHBondContact O-CA 3.48Å; C379-H382 WeakPolarHBondContact O-CB 3.43Å; C379-H382 PolarHBondContact O-N 2.98Å; G380-H382 PolarHBondContact O-N 2.87Å; G380-H382 VanDerWaalsContact O-N 3.1Å; H382-Y435 PolarHBondContact O-N 2.98Å; H382-F438 HydrophobicContact CB-CB 4.07Å; H382-F438 HydrophobicContact CB-CD1 3.7Å; H382-F438 HydrophobicContact CB-CD2 3.84Å; H382-F438 HydrophobicContact CB-CE1 4.01Å; H382-F438 HydrophobicContact CB-CE2 4.16Å; H382-F438 HydrophobicContact CB-CG 3.59Å; H382-F438 HydrophobicContact CB-CZ 4.22Å; H382-F438 AromaticContact CD2-CE1 3.81Å; H382-F438 AromaticContact CD2-CE2 3.73Å; H382-F438 AromaticContact CD2-CZ 3.42Å; H382-F438 VanDerWaalsContact CD2-CZ 3.42Å; H382-F438 WeakPolarHBondContact CD2-CZ 3.41Å; H382-F438 AromaticContact CE1-CE1 3.48Å; H382-F438 VanDerWaalsContact CE1-CE1 3.48Å; H382-F438 WeakPolarHBondContact CE1-CE1 3.08Å; H382-F438 AromaticContact CE1-CZ 3.67Å; H382-F438 AromaticContact CG-CD1 3.65Å; H382-F438 AromaticContact CG-CE1 3.42Å; H382-F438 VanDerWaalsContact CG-CE1 3.42Å; H382-F438 AromaticContact CG-CE2 3.86Å; H382-F438 AromaticContact CG-CG 3.95Å; H382-F438 AromaticContact CG-CZ 3.52Å; H382-F438 AromaticContact ND1-CD1 3.62Å; H382-F438 AromaticContact ND1-CE1 3.21Å; H382-F438 WeakPolarHBondContact ND1-CE1 3.18Å; H382-F438 AromaticContact ND1-CZ 3.68Å; H382-F438 AromaticContact NE2-CE1 3.82Å; H382-F438 AromaticContact NE2-CZ 3.5Å; H382-F438 WeakPolarHBondContact NE2-CZ 3.3Å; H382-C443 HydrophobicContact CB-CB 3.82Å; H382-C443 WeakPolarHBondContact CB-O 3.28Å; H382-C443 PolarHBondContact ND1-O 3.15Å
383	G	97.8	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	174.2	173.9	0	0	0	0	0	112	S375 C379 Q433	S375-G383 WeakPolarHBondContact CB-O 3.34Å; S375-G383 PolarHBondContact OG-O 2.81Å; C379-G383 PolarHBondContact O-N 3.23Å; G383-Q433 CarbonylContact C-O 3.59Å; G383-Q433 WeakPolarHBondContact CA-O 3.37Å
384	R	97.6	Very high	96.8	Very high	10 Å²	10	41.6 Å²	41.6	4%	0.038	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	150.5	173.9	58.5	-176.7	52.3	-117.6	-12.9	109.8	P45 G330 A331 C432 Q433 Y435	P45-R384 HydrophobicContact CB-CB 4.22Å; P45-R384 VanDerWaalsContact O-CZ 3.28Å; P45-R384 PolarHBondContact O-NH1 3.42Å; P45-R384 PolarHBondContact O-NH2 3.05Å; G330-R384 WeakPolarHBondContact O-CD 3.04Å; G330-R384 PolarHBondContact O-NH1 3.06Å; A331-R384 PolarHBondContact O-NH1 3.21Å; R384-C432 CarbonylContact O-C 3.59Å; R384-C432 WeakPolarHBondContact O-CA 3.44Å; R384-Q433 HydrophobicContact CG-CB 3.83Å; R384-Q433 HydrophobicContact CG-CG 4.38Å; R384-Q433 PolarHBondContact N-O 2.98Å; R384-Q433 PolarHBondContact O-N 2.86Å; R384-Y435 PolarHBondContact NH2-OH 3.34Å
385	C	98	Very high	96.8	Very high	7 Å²	7	43.1 Å²	43.1	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	139.6	173.5	-67.1	0	0	0	0	111.8	C374 L396 F430 Q431	C374-C385 HydrophobicContact CB-CB 3.86Å; C374-C385 WeakPolarHBondContact CB-SG 3.39Å; C374-C385 PolarHBondContact O-SG 2.83Å; C374-C385 VanDerWaalsContact O-SG 3.42Å; C374-C385 WeakPolarHBondContact SG-CB 3.38Å; C374-C385 CovalentContact SG-SG 2.02Å; C374-C385 PolarHBondContact SG-SG 3.23Å; C385-L396 HydrophobicContact CB-CD1 4Å; C385-L396 HydrophobicContact CB-CD2 4.28Å; C385-F430 HydrophobicContact CB-CB 4.2Å; C385-F430 HydrophobicContact CB-CD1 4.35Å; C385-Q431 WeakPolarHBondContact CA-O 3.41Å
386	L	97.5	Very high	96.7	Very high	19 Å²	19	43.1 Å²	43.1	10%	0.099	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.1	166.7	68.1	164.8	0	0	0	109.5	V33 K388 F430 Q431 Q433	V33-L386 HydrophobicContact CG1-CD1 4.15Å; V33-L386 HydrophobicContact CG1-CD2 4.32Å; L386-K388 PolarHBondContact O-N 2.83Å; L386-F430 WeakPolarHBondContact O-CA 3.3Å; L386-Q431 HydrophobicContact CD2-CG 4.12Å; L386-Q431 WeakPolarHBondContact CD2-O 3.45Å; L386-Q431 HydrophobicContact CG-CG 4.22Å; L386-Q431 PolarHBondContact N-O 3.49Å; L386-Q431 PolarHBondContact O-N 2.94Å; L386-Q433 HydrophobicContact CD2-CB 3.47Å; L386-Q433 VanDerWaalsContact CD2-CB 3.47Å; L386-Q433 VanDerWaalsContact CD2-N 3.32Å
387	R	96.6	Very high	96.7	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	136.4	178.7	-86.5	178.1	-96.1	-163.2	-6	111.2	E325 A328 H389 S392 V394 F430	E325-R387 VanDerWaalsContact CA-NH2 3.26Å; E325-R387 PolarHBondContact O-NH2 3.46Å; E325-R387 IonicContact OE1-CZ 3.41Å; E325-R387 IonicContact OE1-NH1 3.4Å; E325-R387 PolarHBondContact OE1-NH1 2.92Å; E325-R387 IonicContact OE1-NH2 2.72Å; E325-R387 PolarHBondContact OE1-NH2 3.26Å; E325-R387 IonicContact OE2-CZ 3.18Å; E325-R387 IonicContact OE2-NH1 3.75Å; E325-R387 PolarHBondContact OE2-NH1 3.09Å; E325-R387 IonicContact OE2-NH2 3.03Å; E325-R387 PolarHBondContact OE2-NH2 2.7Å; A328-R387 HydrophobicContact CB-CG 4.16Å; A328-R387 WeakPolarHBondContact O-CB 3.03Å; A328-R387 VanDerWaalsContact O-CG 3.27Å; A328-R387 WeakPolarHBondContact O-CG 3.24Å; A328-R387 PolarHBondContact O-N 2.86Å; A328-R387 PolarHBondContact O-NE 2.86Å; R387-H389 VanDerWaalsContact C-N 3.34Å; R387-S392 PolarHBondContact NH1-O 3.43Å; R387-V394 WeakPolarHBondContact CD-O 3.06Å; R387-V394 HydrophobicContact CG-CG2 3.72Å; R387-V394 PolarHBondContact NE-O 3.1Å; R387-V394 PolarHBondContact NH1-O 2.94Å; R387-F430 HydrophobicContact CG-CD1 4.25Å; R387-F430 HydrophobicContact CG-CE1 3.67Å; R387-F430 HydrophobicContact CG-CZ 4.2Å
388	K	96	Very high	96.7	Very high	64 Å²	64	38.8 Å²	38.8	28%	0.278	21%	0.207	S	C	.	.	S	Bend	trans	-65.9	-38.9	170.2	-68.7	-178.8	-171.9	170.3	0	112.1	L386 P390 D427 T428 D429 F430 Q431	L386-K388 PolarHBondContact O-N 2.83Å; K388-P390 WeakPolarHBondContact O-CD 3.03Å; K388-D427 WeakPolarHBondContact CE-O 3.38Å; K388-D427 PolarHBondContact NZ-O 3.31Å; K388-T428 WeakPolarHBondContact CD-O 3.48Å; K388-T428 WeakPolarHBondContact CE-O 3.43Å; K388-T428 PolarHBondContact NZ-O 3.21Å; K388-D429 PolarHBondContact N-O 2.89Å; K388-F430 WeakPolarHBondContact CE-O 3.21Å; K388-Q431 HydrophobicContact CG-CB 3.96Å; K388-Q431 HydrophobicContact CG-CG 4.11Å
389	H	96.4	Very high	96.4	Very high	131 Å²	131	38.9 Å²	38.9	61%	0.606	21%	0.208	S	C	*	.	S	Bend	trans	-111.8	100.4	178.7	-61.8	-60.2	0	0	0	109.5	R387 D391 S392	R387-H389 VanDerWaalsContact C-N 3.34Å; H389-D391 PolarHBondContact O-N 2.83Å; H389-S392 WeakPolarHBondContact O-CB 3.35Å; H389-S392 PolarHBondContact O-N 3.4Å; H389-S392 PolarHBondContact O-OG 2.83Å
390	P	94.8	Very high	95.9	Very high	57 Å²	57	44.5 Å²	44.5	37%	0.37	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.8	-173.5	-27.3	35.9	0	0	0	115.3	K283 L329 K388	K283-P390 HydrophobicContact CD-CB 4.28Å; L329-P390 HydrophobicContact CD2-CB 4.01Å; K388-P390 WeakPolarHBondContact O-CD 3.03Å
391	D	96.1	Very high	95.4	Very high	98 Å²	98	50.3 Å²	50.3	52%	0.524	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-0.9	-179.9	-66.2	-52.8	0	0	0	114	R279 K283 H389	R279-D391 PolarHBondContact NH1-O 2.77Å; K283-D391 IonicContact NZ-OD1 3.23Å; K283-D391 PolarHBondContact NZ-OD1 3.31Å; K283-D391 IonicContact NZ-OD2 2.92Å; K283-D391 PolarHBondContact NZ-OD2 3.43Å; H389-D391 PolarHBondContact O-N 2.83Å
392	S	96.8	Very high	94.9	Very high	34 Å²	34	49.8 Å²	49.8	24%	0.238	27%	0.266	C	S	.	.	S	Bend	trans	-79.4	150.2	177.2	64.6	0	0	0	0	112.7	R387 H389 V394	R387-S392 PolarHBondContact NH1-O 3.43Å; H389-S392 WeakPolarHBondContact O-CB 3.35Å; H389-S392 PolarHBondContact O-N 3.4Å; H389-S392 PolarHBondContact O-OG 2.83Å; S392-V394 VanDerWaalsContact C-N 3.3Å; S392-V394 PolarHBondContact O-N 3Å; S392-V394 WeakPolarHBondContact OG-CG2 2.95Å
393	D	96.8	Very high	94.5	Very high	83 Å²	83	47.6 Å²	47.6	44%	0.444	26%	0.256	S	S	.	.			trans	-92.7	46.3	-179.2	-70.9	-18.7	0	0	0	112.7	R275 R279 Y395	R275-D393 WeakPolarHBondContact CD-OD1 3.46Å; R275-D393 IonicContact CZ-OD2 2.64Å; R275-D393 IonicContact NH1-OD1 3.54Å; R275-D393 IonicContact NH1-OD2 2.74Å; R275-D393 PolarHBondContact NH1-OD2 2.82Å; R279-D393 IonicContact CZ-OD1 3.28Å; R279-D393 VanDerWaalsContact CZ-OD1 3.23Å; R279-D393 IonicContact NH1-OD1 2.86Å; R279-D393 PolarHBondContact NH1-OD1 2.86Å; R279-D393 IonicContact NH2-OD1 2.84Å; R279-D393 PolarHBondContact NH2-OD1 2.79Å; D393-Y395 HydrophobicContact CB-CE2 4.5Å; D393-Y395 WeakPolarHBondContact O-CE2 3.31Å
394	V	96.6	Very high	94.1	Very high	35 Å²	35	55 Å²	55	21%	0.212	28%	0.284	C	S	.	.			trans	-108.5	143.8	176	-57.6	0	0	0	0	110.6	R387 S392 D429 F430	R387-V394 WeakPolarHBondContact CD-O 3.06Å; R387-V394 HydrophobicContact CG-CG2 3.72Å; R387-V394 PolarHBondContact NE-O 3.1Å; R387-V394 PolarHBondContact NH1-O 2.94Å; S392-V394 VanDerWaalsContact C-N 3.3Å; S392-V394 PolarHBondContact O-N 3Å; S392-V394 WeakPolarHBondContact OG-CG2 2.95Å; V394-D429 HydrophobicContact CB-CB 4.27Å; V394-D429 HydrophobicContact CG2-CB 3.82Å; V394-F430 HydrophobicContact CG2-CZ 4.35Å
395	Y	97.6	Very high	93.9	Very high	31 Å²	31	56.2 Å²	56.2	12%	0.122	29%	0.291	C	S	.	.			trans	-135.5	152.5	-170.6	-56.3	-84.2	0	0	0	111.8	R275 V320 E325 A328 D393 H397	R275-Y395 WeakPolarHBondContact CD-OH 3.4Å; R275-Y395 PolarHBondContact NE-OH 2.7Å; R275-Y395 VanDerWaalsContact NE-OH 3.09Å; V320-Y395 HydrophobicContact CG1-CD1 4.04Å; V320-Y395 HydrophobicContact CG1-CD2 3.92Å; V320-Y395 HydrophobicContact CG1-CE1 3.78Å; V320-Y395 HydrophobicContact CG1-CE2 3.71Å; V320-Y395 HydrophobicContact CG1-CG 4.09Å; E325-Y395 HydrophobicContact CB-CE1 4.31Å; E325-Y395 WeakPolarHBondContact OE2-CE1 3.32Å; E325-Y395 PolarHBondContact OE2-OH 2.91Å; A328-Y395 HydrophobicContact CB-CD1 4.35Å; D393-Y395 HydrophobicContact CB-CE2 4.5Å; D393-Y395 WeakPolarHBondContact O-CE2 3.31Å; Y395-H397 VanDerWaalsContact C-N 3.33Å; Y395-H397 VanDerWaalsContact CB-CE1 3.43Å; Y395-H397 WeakPolarHBondContact CB-CE1 3.37Å; Y395-H397 AromaticContact CG-CE1 3.88Å; Y395-H397 PolarHBondContact O-N 2.67Å
396	L	96.9	Very high	93.6	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	30%	0.298	C	S	.	.			trans	-77.5	87.5	170.9	-72.5	168.4	0	0	0	108.6	V327 A370 A371 C374 C385 F426 F430	V327-L396 HydrophobicContact CG1-CB 4.48Å; V327-L396 HydrophobicContact CG1-CD1 4.05Å; A370-L396 VanDerWaalsContact CB-C 3.44Å; A370-L396 HydrophobicContact CB-CB 4.23Å; A370-L396 WeakPolarHBondContact CB-O 3.35Å; A371-L396 HydrophobicContact CB-CD1 4.3Å; C374-L396 HydrophobicContact CB-CD2 3.7Å; C385-L396 HydrophobicContact CB-CD1 4Å; C385-L396 HydrophobicContact CB-CD2 4.28Å; L396-F426 HydrophobicContact CD2-CD1 4.11Å; L396-F426 HydrophobicContact CD2-CE1 4.02Å; L396-F430 HydrophobicContact CD1-CD1 4.34Å; L396-F430 HydrophobicContact CD1-CE1 4.14Å; L396-F430 HydrophobicContact CD2-CD1 3.89Å; L396-F430 HydrophobicContact CD2-CD2 3.99Å; L396-F430 HydrophobicContact CD2-CE1 3.79Å; L396-F430 HydrophobicContact CD2-CE2 3.88Å; L396-F430 HydrophobicContact CD2-CG 4.02Å; L396-F430 HydrophobicContact CD2-CZ 3.8Å; L396-F430 HydrophobicContact CG-CD1 3.99Å; L396-F430 HydrophobicContact CG-CE1 3.51Å; L396-F430 HydrophobicContact CG-CE2 4.31Å; L396-F430 HydrophobicContact CG-CZ 3.7Å
397	H	95.9	Very high	93.2	Very high	45 Å²	45	61.8 Å²	61.8	21%	0.208	31%	0.311	C	S	.	.			trans	-124.9	150.8	173.8	-63.4	150.4	0	0	0	110.6	Y363 N366 A370 Y395	Y363-H397 AromaticContact CE2-NE2 3.46Å; Y363-H397 WeakPolarHBondContact CE2-NE2 3.35Å; Y363-H397 AromaticContact CZ-NE2 3.6Å; Y363-H397 PolarHBondContact OH-NE2 3.39Å; N366-H397 WeakPolarHBondContact OD1-CA 3.3Å; N366-H397 WeakPolarHBondContact OD1-CB 3.28Å; A370-H397 VanDerWaalsContact CB-C 3.49Å; Y395-H397 VanDerWaalsContact C-N 3.33Å; Y395-H397 VanDerWaalsContact CB-CE1 3.43Å; Y395-H397 WeakPolarHBondContact CB-CE1 3.37Å; Y395-H397 AromaticContact CG-CE1 3.88Å; Y395-H397 PolarHBondContact O-N 2.67Å
398	L	93.6	Very high	92.8	Very high	11 Å²	11	68.1 Å²	68.1	6%	0.058	34%	0.335	C	S	.	.			trans	-64.5	132.6	169.9	-63	179.5	0	0	0	109.3	N366 T369 A370 L373 P400 H403 I405 V414	N366-L398 PolarHBondContact OD1-N 3.37Å; T369-L398 HydrophobicContact CG2-CD1 4.34Å; T369-L398 HydrophobicContact CG2-CD2 3.92Å; A370-L398 HydrophobicContact CB-CD2 4.14Å; A370-L398 HydrophobicContact CB-CG 4.42Å; L373-L398 HydrophobicContact CD1-CD2 3.74Å; L398-P400 WeakPolarHBondContact O-CD 3.35Å; L398-H403 HydrophobicContact CB-CB 3.89Å; L398-H403 HydrophobicContact CD1-CB 4.24Å; L398-H403 HydrophobicContact CG-CB 4.49Å; L398-I405 HydrophobicContact CD1-CD1 4.39Å; L398-I405 HydrophobicContact CD1-CG1 4.37Å; L398-V414 HydrophobicContact CD1-CB 4.46Å; L398-V414 HydrophobicContact CD1-CG1 3.76Å; L398-V414 HydrophobicContact CD1-CG2 3.79Å
399	N	89.8	Confident	92.2	Very high	34 Å²	34	73.5 Å²	73.5	18%	0.182	37%	0.367	C	S	.	.			trans	-68.4	120.6	175.9	175.8	-5.1	0	0	0	109.7	L401 T402 H403 D422	N399-L401 PolarHBondContact O-N 3.27Å; N399-L401 VanDerWaalsContact O-N 3.16Å; N399-L401 WeakPolarHBondContact OD1-CB 3.27Å; N399-L401 PolarHBondContact OD1-N 3.3Å; N399-T402 WeakPolarHBondContact CB-OG1 3.33Å; N399-T402 PolarHBondContact O-N 2.9Å; N399-T402 VanDerWaalsContact O-N 3.15Å; N399-T402 PolarHBondContact O-OG1 3.42Å; N399-H403 WeakPolarHBondContact O-CB 3.26Å; N399-H403 PolarHBondContact O-N 2.8Å; N399-D422 WeakPolarHBondContact CB-OD1 3.24Å; N399-D422 PolarHBondContact ND2-OD1 2.91Å
400	P	88.3	Confident	91.5	Very high	118 Å²	118	69.1 Å²	69.1	77%	0.766	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.1	-175.4	28.7	-36.3	0	0	0	113.6	L398	L398-P400 WeakPolarHBondContact O-CD 3.35Å
401	L	85.9	Confident	91.1	Very high	159 Å²	159	72.1 Å²	72.1	83%	0.832	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-32.2	175.7	-60.1	178.1	0	0	0	112.1	N399	N399-L401 PolarHBondContact O-N 3.27Å; N399-L401 VanDerWaalsContact O-N 3.16Å; N399-L401 WeakPolarHBondContact OD1-CB 3.27Å; N399-L401 PolarHBondContact OD1-N 3.3Å
402	T	85.4	Confident	90.9	Very high	40 Å²	40	68.3 Å²	68.3	25%	0.245	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-25.6	-177.3	56.6	0	0	0	0	112.2	N399 S416 D422	N399-T402 WeakPolarHBondContact CB-OG1 3.33Å; N399-T402 PolarHBondContact O-N 2.9Å; N399-T402 VanDerWaalsContact O-N 3.15Å; N399-T402 PolarHBondContact O-OG1 3.42Å; T402-S416 WeakPolarHBondContact O-CB 3.2Å; T402-S416 PolarHBondContact O-OG 2.92Å; T402-D422 WeakPolarHBondContact CB-OD2 3.22Å; T402-D422 PolarHBondContact OG1-OD1 2.97Å; T402-D422 VanDerWaalsContact OG1-OD1 3.06Å; T402-D422 PolarHBondContact OG1-OD2 3.08Å
403	H	90	Very high	90.6	Very high	17 Å²	17	68.8 Å²	68.8	8%	0.079	35%	0.345	C	S	.	.			trans	-122.8	140.9	-175.5	-61.9	75.7	0	0	0	112.6	L398 N399 V414 S416 D422	L398-H403 HydrophobicContact CB-CB 3.89Å; L398-H403 HydrophobicContact CD1-CB 4.24Å; L398-H403 HydrophobicContact CG-CB 4.49Å; N399-H403 WeakPolarHBondContact O-CB 3.26Å; N399-H403 PolarHBondContact O-N 2.8Å; H403-V414 HydrophobicContact CB-CG1 4.24Å; H403-S416 VanDerWaalsContact CA-OG 3.28Å; H403-S416 WeakPolarHBondContact CA-OG 3.46Å; H403-S416 PolarHBondContact CD2-OG 3.28Å; H403-S416 VanDerWaalsContact CG-OG 3.24Å; H403-D422 IonicContact CE1-OD2 3.87Å; H403-D422 PolarHBondContact CE1-OD2 2.93Å; H403-D422 VanDerWaalsContact CE1-OD2 3.25Å; H403-D422 IonicContact ND1-OD2 2.66Å
404	R	90.3	Very high	90.4	Very high	155 Å²	155	66.8 Å²	66.8	59%	0.585	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.1	173.3	-167.1	165.4	63	-125.5	-1.3	111.2	E406 A415	R404-E406 HydrophobicContact CG-CG 3.97Å; R404-E406 IonicContact CZ-OE1 2.92Å; R404-E406 IonicContact NE-OE1 2.98Å; R404-E406 PolarHBondContact NE-OE1 2.86Å; R404-E406 IonicContact NH2-OE1 3.89Å; R404-E406 PolarHBondContact NH2-OE1 3.29Å; R404-A415 PolarHBondContact N-O 3.31Å; R404-A415 PolarHBondContact O-N 2.85Å
405	I	92.1	Very high	89.8	Confident	36 Å²	36	66.2 Å²	66.2	19%	0.185	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	113.8	173.3	-63.1	176.9	0	0	0	108.9	R362 L365 N366 L398 L412 V414	R362-I405 HydrophobicContact CG-CG2 4.36Å; R362-I405 WeakPolarHBondContact O-CD1 3.35Å; L365-I405 HydrophobicContact CD2-CG2 3.98Å; N366-I405 HydrophobicContact CB-CD1 3.71Å; L398-I405 HydrophobicContact CD1-CD1 4.39Å; L398-I405 HydrophobicContact CD1-CG1 4.37Å; I405-L412 HydrophobicContact CG2-CD2 4.11Å; I405-V414 HydrophobicContact CG1-CG2 4.36Å
406	E	91.8	Very high	88.7	Confident	43 Å²	43	67.5 Å²	67.5	20%	0.201	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	157.5	-177.9	-60.7	-176.8	155.8	0	0	111	R404 R408 L412 T413	R404-E406 HydrophobicContact CG-CG 3.97Å; R404-E406 IonicContact CZ-OE1 2.92Å; R404-E406 IonicContact NE-OE1 2.98Å; R404-E406 PolarHBondContact NE-OE1 2.86Å; R404-E406 IonicContact NH2-OE1 3.89Å; R404-E406 PolarHBondContact NH2-OE1 3.29Å; E406-R408 IonicContact OE2-CZ 3.67Å; E406-R408 IonicContact OE2-NE 3.24Å; E406-R408 PolarHBondContact OE2-NE 2.84Å; E406-R408 VanDerWaalsContact OE2-NE 3.1Å; E406-R408 IonicContact OE2-NH2 2.62Å; E406-R408 PolarHBondContact OE2-NH2 3.16Å; E406-L412 CarbonylContact O-C 3.33Å; E406-L412 WeakPolarHBondContact O-CA 3.4Å; E406-T413 PolarHBondContact N-O 2.81Å; E406-T413 PolarHBondContact O-N 2.66Å; E406-T413 PolarHBondContact O-OG1 3.22Å
407	R	89.6	Confident	87.3	Confident	100 Å²	100	75.8 Å²	75.8	38%	0.377	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	118.1	168.7	-168.1	178.5	-63.2	-85.7	0.5	109.3	Q357 G410 K411 L412	Q357-R407 PolarHBondContact O-NH2 3.2Å; R407-G410 PolarHBondContact NH1-O 3.27Å; R407-K411 CarbonylContact C-O 3.29Å; R407-K411 WeakPolarHBondContact CA-O 3.4Å; R407-L412 HydrophobicContact CB-CD2 4.29Å
408	R	87.4	Confident	85.9	Confident	138 Å²	138	76 Å²	76	52%	0.521	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.7	175	-64.8	-175.1	-179	-166.3	1.6	109	E406 G410 K411	E406-R408 IonicContact OE2-CZ 3.67Å; E406-R408 IonicContact OE2-NE 3.24Å; E406-R408 PolarHBondContact OE2-NE 2.84Å; E406-R408 VanDerWaalsContact OE2-NE 3.1Å; E406-R408 IonicContact OE2-NH2 2.62Å; E406-R408 PolarHBondContact OE2-NH2 3.16Å; R408-G410 PolarHBondContact O-N 3.45Å; R408-K411 PolarHBondContact N-O 2.79Å; R408-K411 PolarHBondContact O-N 3.38Å; R408-K411 VanDerWaalsContact O-O 3.12Å
409	N	85.2	Confident	84.8	Confident	176 Å²	176	76.5 Å²	76.5	94%	0.941	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	43.1	-177.1	-59.2	-21.4	0	0	0	113.3	K411	N409-K411 PolarHBondContact O-N 2.96Å
410	G	81.8	Confident	84.1	Confident	39 Å²	39	80 Å²	80	40%	0.402	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-14.9	-179.1	0	0	0	0	0	115.3	R407 R408	R407-G410 PolarHBondContact NH1-O 3.27Å; R408-G410 PolarHBondContact O-N 3.45Å
411	K	85.9	Confident	83.6	Confident	121 Å²	121	78.1 Å²	78.1	53%	0.526	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	141.9	-178.2	-170.1	171.7	-178.7	171.6	0	112.1	R407 R408 N409	R407-K411 CarbonylContact C-O 3.29Å; R407-K411 WeakPolarHBondContact CA-O 3.4Å; R408-K411 PolarHBondContact N-O 2.79Å; R408-K411 PolarHBondContact O-N 3.38Å; R408-K411 VanDerWaalsContact O-O 3.12Å; N409-K411 PolarHBondContact O-N 2.96Å
412	L	91.3	Very high	83.4	Confident	17 Å²	17	70.8 Å²	70.8	9%	0.089	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	132.7	171.5	-68.6	172	0	0	0	110.3	R362 L365 I405 E406 R407	R362-L412 HydrophobicContact CG-CD1 4.01Å; R362-L412 HydrophobicContact CG-CD2 4.21Å; L365-L412 HydrophobicContact CD2-CB 3.71Å; I405-L412 HydrophobicContact CG2-CD2 4.11Å; E406-L412 CarbonylContact O-C 3.33Å; E406-L412 WeakPolarHBondContact O-CA 3.4Å; R407-L412 HydrophobicContact CB-CD2 4.29Å
413	T	91.4	Very high	83.3	Confident	44 Å²	44	72.9 Å²	72.9	27%	0.27	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	148.7	179.9	56.4	0	0	0	0	109.9	E406	E406-T413 PolarHBondContact N-O 2.81Å; E406-T413 PolarHBondContact O-N 2.66Å; E406-T413 PolarHBondContact O-OG1 3.22Å
414	V	91.6	Very high	83.2	Confident	42 Å²	42	78.6 Å²	78.6	26%	0.255	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.7	171.3	-175.8	0	0	0	0	108	L365 T369 L398 H403 I405	L365-V414 HydrophobicContact CD1-CG2 4.13Å; L365-V414 HydrophobicContact CD2-CG2 3.93Å; L365-V414 HydrophobicContact CG-CG2 3.8Å; T369-V414 HydrophobicContact CG2-CG2 4.19Å; L398-V414 HydrophobicContact CD1-CB 4.46Å; L398-V414 HydrophobicContact CD1-CG1 3.76Å; L398-V414 HydrophobicContact CD1-CG2 3.79Å; H403-V414 HydrophobicContact CB-CG1 4.24Å; I405-V414 HydrophobicContact CG1-CG2 4.36Å
415	A	84.7	Confident	83	Confident	23 Å²	23	74.9 Å²	74.9	19%	0.19	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	108.2	175.6	0	0	0	0	0	109.3	R404	R404-A415 PolarHBondContact N-O 3.31Å; R404-A415 PolarHBondContact O-N 2.85Å
416	S	75	Confident	83.1	Confident	58 Å²	58	73.6 Å²	73.6	41%	0.406	38%	0.384	S	S	.	.	S	Bend	trans	157.7	179.3	163.7	58	0	0	0	0	111.2	T402 H403	T402-S416 WeakPolarHBondContact O-CB 3.2Å; T402-S416 PolarHBondContact O-OG 2.92Å; H403-S416 VanDerWaalsContact CA-OG 3.28Å; H403-S416 WeakPolarHBondContact CA-OG 3.46Å; H403-S416 PolarHBondContact CD2-OG 3.28Å; H403-S416 VanDerWaalsContact CG-OG 3.24Å
417	E	66.6	Low	83.2	Confident	176 Å²	176	75 Å²	75	82%	0.822	39%	0.393	S	S	*	.			trans	-117.5	150.2	171.2	-65.3	-178.7	172.5	0	0	110.3	G419	E417-G419 PolarHBondContact O-N 3.25Å
418	L	66.6	Low	83.4	Confident	50 Å²	50	74.5 Å²	74.5	26%	0.262	40%	0.401	S	S	.	.			trans	-59.4	121.8	-179.4	-171.4	91.1	0	0	0	111.1	L373 T377 D422 K423 F426	L373-L418 HydrophobicContact CB-CD1 4.04Å; L373-L418 HydrophobicContact CD1-CD1 3.94Å; L373-L418 HydrophobicContact CD2-CD1 4.11Å; L373-L418 HydrophobicContact CG-CD1 4.25Å; T377-L418 HydrophobicContact CG2-CD2 4.36Å; T377-L418 WeakPolarHBondContact OG1-CD2 2.96Å; L418-D422 HydrophobicContact CD1-CB 3.95Å; L418-D422 HydrophobicContact CG-CB 4.38Å; L418-K423 HydrophobicContact CD2-CD 4.37Å; L418-K423 HydrophobicContact CD2-CG 3.83Å; L418-K423 HydrophobicContact CG-CG 4.49Å; L418-F426 HydrophobicContact CD1-CE2 4.16Å
419	G	70	Confident	83.9	Confident	20 Å²	20	69.9 Å²	69.9	21%	0.206	39%	0.387	C	S	.	.			trans	-92.6	162.1	174.8	0	0	0	0	0	113.1	E417 P421 D422 K423	E417-G419 PolarHBondContact O-N 3.25Å; G419-P421 VanDerWaalsContact C-N 3.32Å; G419-D422 PolarHBondContact N-OD2 2.92Å; G419-D422 WeakPolarHBondContact O-CB 3.24Å; G419-D422 PolarHBondContact O-N 3.1Å; G419-D422 VanDerWaalsContact O-N 3.12Å; G419-K423 PolarHBondContact O-N 3.11Å
420	D	74.4	Confident	84.5	Confident	108 Å²	108	61.7 Å²	61.7	58%	0.578	34%	0.343	S	S	*	.	H	α-helix	trans	-56.8	-34.2	172	-67.3	-29.8	0	0	0	114.6	D422 K423 M424	D420-D422 VanDerWaalsContact C-N 3.25Å; D420-D422 PolarHBondContact O-N 3.4Å; D420-K423 PolarHBondContact O-N 2.84Å; D420-K423 IonicContact OD1-NZ 3.84Å; D420-K423 PolarHBondContact OD1-NZ 2.86Å; D420-M424 PolarHBondContact O-N 3.44Å; D420-M424 VanDerWaalsContact O-N 3.12Å
421	P	78.8	Confident	85.2	Confident	79 Å²	79	63 Å²	63	51%	0.513	34%	0.339	S	S	.	.	H	α-helix	trans	-59	-34.5	173.5	-26.2	35.9	0	0	0	113.8	G419 M424 L425	G419-P421 VanDerWaalsContact C-N 3.32Å; P421-M424 PolarHBondContact O-N 3.07Å; P421-L425 PolarHBondContact O-N 2.66Å
422	D	81.3	Confident	85.8	Confident	5 Å²	5	58 Å²	58	3%	0.027	32%	0.319	C	S	.	.	H	α-helix	trans	-70.8	-38	-179.1	-57.3	-37	0	0	0	110.7	N399 T402 H403 L418 G419 D420 L425 F426	N399-D422 WeakPolarHBondContact CB-OD1 3.24Å; N399-D422 PolarHBondContact ND2-OD1 2.91Å; T402-D422 WeakPolarHBondContact CB-OD2 3.22Å; T402-D422 PolarHBondContact OG1-OD1 2.97Å; T402-D422 VanDerWaalsContact OG1-OD1 3.06Å; T402-D422 PolarHBondContact OG1-OD2 3.08Å; H403-D422 IonicContact CE1-OD2 3.87Å; H403-D422 PolarHBondContact CE1-OD2 2.93Å; H403-D422 VanDerWaalsContact CE1-OD2 3.25Å; H403-D422 IonicContact ND1-OD2 2.66Å; L418-D422 HydrophobicContact CD1-CB 3.95Å; L418-D422 HydrophobicContact CG-CB 4.38Å; G419-D422 PolarHBondContact N-OD2 2.92Å; G419-D422 WeakPolarHBondContact O-CB 3.24Å; G419-D422 PolarHBondContact O-N 3.1Å; G419-D422 VanDerWaalsContact O-N 3.12Å; D420-D422 VanDerWaalsContact C-N 3.25Å; D420-D422 PolarHBondContact O-N 3.4Å; D422-L425 PolarHBondContact O-N 3.41Å; D422-F426 VanDerWaalsContact O-CD2 3.3Å; D422-F426 WeakPolarHBondContact O-CD2 3.4Å; D422-F426 WeakPolarHBondContact O-CG 3.03Å; D422-F426 PolarHBondContact O-N 3.29Å
423	K	84.1	Confident	86	Confident	84 Å²	84	57.6 Å²	57.6	37%	0.365	32%	0.316	S	S	.	.	H	α-helix	trans	-63.6	-43.5	174.6	-54.2	-177	-171.7	144.8	0	111.7	T377 L418 G419 D420 L425 F426 D427	T377-K423 HydrophobicContact CG2-CB 4.09Å; T377-K423 HydrophobicContact CG2-CD 4.12Å; T377-K423 HydrophobicContact CG2-CG 3.7Å; L418-K423 HydrophobicContact CD2-CD 4.37Å; L418-K423 HydrophobicContact CD2-CG 3.83Å; L418-K423 HydrophobicContact CG-CG 4.49Å; G419-K423 PolarHBondContact O-N 3.11Å; D420-K423 PolarHBondContact O-N 2.84Å; D420-K423 IonicContact OD1-NZ 3.84Å; D420-K423 PolarHBondContact OD1-NZ 2.86Å; K423-L425 VanDerWaalsContact C-N 3.34Å; K423-F426 PolarHBondContact O-N 3.34Å; K423-D427 PolarHBondContact O-N 2.48Å
424	M	86.5	Confident	86.3	Confident	136 Å²	136	56 Å²	56	67%	0.67	31%	0.307	S	S	*	.	H	α-helix	trans	-64	-40	178.3	-68.7	-174.1	82.3	0	0	111.6	D420 P421 D427 T428	D420-M424 PolarHBondContact O-N 3.44Å; D420-M424 VanDerWaalsContact O-N 3.12Å; P421-M424 PolarHBondContact O-N 3.07Å; M424-D427 PolarHBondContact O-N 3.21Å; M424-T428 WeakPolarHBondContact O-CB 3.45Å; M424-T428 PolarHBondContact O-N 3.27Å; M424-T428 PolarHBondContact O-OG1 3.15Å
425	L	88	Confident	86.6	Confident	78 Å²	78	54.1 Å²	54.1	41%	0.408	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-47.3	175.6	-170.1	76.4	0	0	0	110.9	P421 D422 K423 T428 D429	P421-L425 PolarHBondContact O-N 2.66Å; D422-L425 PolarHBondContact O-N 3.41Å; K423-L425 VanDerWaalsContact C-N 3.34Å; L425-T428 PolarHBondContact O-N 3.37Å; L425-D429 PolarHBondContact O-N 3.33Å
426	F	93.6	Very high	87	Confident	8 Å²	8	53.9 Å²	53.9	4%	0.035	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-52.4	176.6	-64	-33.1	0	0	0	111.9	L373 C374 L378 L396 L418 D422 K423 T428 D429 F430	L373-F426 HydrophobicContact CB-CE2 4.05Å; L373-F426 HydrophobicContact CB-CZ 4.25Å; C374-F426 HydrophobicContact CB-CD1 4.04Å; C374-F426 HydrophobicContact CB-CD2 4.1Å; C374-F426 HydrophobicContact CB-CE1 4.08Å; C374-F426 HydrophobicContact CB-CE2 4.13Å; C374-F426 HydrophobicContact CB-CG 4.06Å; C374-F426 HydrophobicContact CB-CZ 4.13Å; L378-F426 HydrophobicContact CD1-CB 3.74Å; L378-F426 HydrophobicContact CD2-CB 4.19Å; L378-F426 HydrophobicContact CG-CB 3.93Å; L396-F426 HydrophobicContact CD2-CD1 4.11Å; L396-F426 HydrophobicContact CD2-CE1 4.02Å; L418-F426 HydrophobicContact CD1-CE2 4.16Å; D422-F426 VanDerWaalsContact O-CD2 3.3Å; D422-F426 WeakPolarHBondContact O-CD2 3.4Å; D422-F426 WeakPolarHBondContact O-CG 3.03Å; D422-F426 PolarHBondContact O-N 3.29Å; K423-F426 PolarHBondContact O-N 3.34Å; F426-T428 PolarHBondContact O-N 2.85Å; F426-D429 PolarHBondContact O-N 2.88Å; F426-F430 HydrophobicContact CD1-CD2 4.49Å; F426-F430 WeakPolarHBondContact O-CA 3.29Å; F426-F430 WeakPolarHBondContact O-CB 3.27Å; F426-F430 PolarHBondContact O-N 2.89Å
427	D	93.1	Very high	87.9	Confident	73 Å²	73	51.9 Å²	51.9	39%	0.39	28%	0.28	S	S	.	.	H	α-helix	trans	-66.1	-24.2	-178.6	-176.3	59.6	0	0	0	112.3	L378 K388 K423 M424 K441	L378-D427 HydrophobicContact CD2-CB 3.99Å; K388-D427 WeakPolarHBondContact CE-O 3.38Å; K388-D427 PolarHBondContact NZ-O 3.31Å; K423-D427 PolarHBondContact O-N 2.48Å; M424-D427 PolarHBondContact O-N 3.21Å; D427-K441 IonicContact OD1-NZ 2.73Å; D427-K441 PolarHBondContact OD1-NZ 3.01Å
428	T	95.1	Very high	89.2	Confident	90 Å²	90	44.7 Å²	44.7	55%	0.552	25%	0.247	S	C	*	.	H	α-helix	trans	-69.7	-52.6	175.6	-60.1	0	0	0	0	110.8	K388 M424 L425 F426	K388-T428 WeakPolarHBondContact CD-O 3.48Å; K388-T428 WeakPolarHBondContact CE-O 3.43Å; K388-T428 PolarHBondContact NZ-O 3.21Å; M424-T428 WeakPolarHBondContact O-CB 3.45Å; M424-T428 PolarHBondContact O-N 3.27Å; M424-T428 PolarHBondContact O-OG1 3.15Å; L425-T428 PolarHBondContact O-N 3.37Å; F426-T428 PolarHBondContact O-N 2.85Å
429	D	96.3	Very high	90.5	Very high	41 Å²	41	46.2 Å²	46.2	22%	0.219	25%	0.253	C	S	.	.	H	α-helix	trans	-99.6	-20.8	-164.9	-70.3	-35	0	0	0	114.7	K388 V394 L425 F426	K388-D429 PolarHBondContact N-O 2.89Å; V394-D429 HydrophobicContact CB-CB 4.27Å; V394-D429 HydrophobicContact CG2-CB 3.82Å; L425-D429 PolarHBondContact O-N 3.33Å; F426-D429 PolarHBondContact O-N 2.88Å
430	F	97.8	Very high	91.5	Very high	3 Å²	3	47.1 Å²	47.1	1%	0.013	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	153.1	-171.4	-61.9	-88.5	0	0	0	112.8	A328 L378 C385 L386 R387 K388 V394 L396 F426	A328-F430 HydrophobicContact CB-CE1 3.94Å; A328-F430 HydrophobicContact CB-CZ 4.38Å; L378-F430 HydrophobicContact CD1-CB 4.27Å; C385-F430 HydrophobicContact CB-CB 4.2Å; C385-F430 HydrophobicContact CB-CD1 4.35Å; L386-F430 WeakPolarHBondContact O-CA 3.3Å; R387-F430 HydrophobicContact CG-CD1 4.25Å; R387-F430 HydrophobicContact CG-CE1 3.67Å; R387-F430 HydrophobicContact CG-CZ 4.2Å; K388-F430 WeakPolarHBondContact CE-O 3.21Å; V394-F430 HydrophobicContact CG2-CZ 4.35Å; L396-F430 HydrophobicContact CD1-CD1 4.34Å; L396-F430 HydrophobicContact CD1-CE1 4.14Å; L396-F430 HydrophobicContact CD2-CD1 3.89Å; L396-F430 HydrophobicContact CD2-CD2 3.99Å; L396-F430 HydrophobicContact CD2-CE1 3.79Å; L396-F430 HydrophobicContact CD2-CE2 3.88Å; L396-F430 HydrophobicContact CD2-CG 4.02Å; L396-F430 HydrophobicContact CD2-CZ 3.8Å; L396-F430 HydrophobicContact CG-CD1 3.99Å; L396-F430 HydrophobicContact CG-CE1 3.51Å; L396-F430 HydrophobicContact CG-CE2 4.31Å; L396-F430 HydrophobicContact CG-CZ 3.7Å; F426-F430 HydrophobicContact CD1-CD2 4.49Å; F426-F430 WeakPolarHBondContact O-CA 3.29Å; F426-F430 WeakPolarHBondContact O-CB 3.27Å; F426-F430 PolarHBondContact O-N 2.89Å
431	Q	97.3	Very high	92.4	Very high	68 Å²	68	49 Å²	49	32%	0.318	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	168	171.4	60.6	-177.7	-0.6	0	0	109.6	C385 L386 K388	C385-Q431 WeakPolarHBondContact CA-O 3.41Å; L386-Q431 HydrophobicContact CD2-CG 4.12Å; L386-Q431 WeakPolarHBondContact CD2-O 3.45Å; L386-Q431 HydrophobicContact CG-CG 4.22Å; L386-Q431 PolarHBondContact N-O 3.49Å; L386-Q431 PolarHBondContact O-N 2.94Å; K388-Q431 HydrophobicContact CG-CB 3.96Å; K388-Q431 HydrophobicContact CG-CG 4.11Å
432	C	97.8	Very high	93.2	Very high	16 Å²	16	46.3 Å²	46.3	11%	0.108	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	136.6	177.6	-62.9	0	0	0	0	112.2	L378 C379 R384 K441 C443	L378-C432 PolarHBondContact O-SG 3.43Å; L378-C432 VanDerWaalsContact O-SG 3.39Å; C379-C432 WeakPolarHBondContact CA-SG 3.41Å; C379-C432 HydrophobicContact CB-CB 3.93Å; C379-C432 WeakPolarHBondContact CB-SG 3.41Å; C379-C432 WeakPolarHBondContact SG-CB 3.31Å; C379-C432 CovalentContact SG-SG 2.04Å; C379-C432 PolarHBondContact SG-SG 2.81Å; R384-C432 CarbonylContact O-C 3.59Å; R384-C432 WeakPolarHBondContact O-CA 3.44Å; C432-K441 WeakPolarHBondContact CB-O 3.37Å; C432-C443 WeakPolarHBondContact CB-SG 2.77Å
433	Q	97.2	Very high	93.9	Very high	7 Å²	7	46.1 Å²	46.1	3%	0.033	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	111.7	153.4	174.8	170.9	42.5	0	0	107.4	V33 K34 T36 G383 R384 L386	V33-Q433 HydrophobicContact CG1-CB 3.66Å; V33-Q433 HydrophobicContact CG1-CG 3.75Å; K34-Q433 WeakPolarHBondContact O-CG 3.5Å; K34-Q433 PolarHBondContact O-NE2 3.25Å; T36-Q433 HydrophobicContact CG2-CG 3.95Å; G383-Q433 CarbonylContact C-O 3.59Å; G383-Q433 WeakPolarHBondContact CA-O 3.37Å; R384-Q433 HydrophobicContact CG-CB 3.83Å; R384-Q433 HydrophobicContact CG-CG 4.38Å; R384-Q433 PolarHBondContact N-O 2.98Å; R384-Q433 PolarHBondContact O-N 2.86Å; L386-Q433 HydrophobicContact CD2-CB 3.47Å; L386-Q433 VanDerWaalsContact CD2-CB 3.47Å; L386-Q433 VanDerWaalsContact CD2-N 3.32Å
434	C	97.3	Very high	94.4	Very high	10 Å²	10	47 Å²	47	7%	0.068	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	151.8	-175.6	-57.7	0	0	0	0	112.6	P35 T36 F438 G440 C443	P35-C434 CarbonylContact C-O 3.6Å; P35-C434 WeakPolarHBondContact CA-O 3.48Å; T36-C434 PolarHBondContact N-O 2.83Å; C434-F438 HydrophobicContact CB-CB 4.25Å; C434-F438 WeakPolarHBondContact CB-O 3.41Å; C434-G440 PolarHBondContact SG-O 3.03Å; C434-C443 WeakPolarHBondContact CA-SG 3.46Å; C434-C443 HydrophobicContact CB-CB 3.83Å; C434-C443 WeakPolarHBondContact CB-SG 3.15Å; C434-C443 WeakPolarHBondContact SG-CA 3.47Å; C434-C443 WeakPolarHBondContact SG-CB 3.46Å; C434-C443 CovalentContact SG-SG 2.04Å; C434-C443 PolarHBondContact SG-SG 3.16Å
435	Y	97.1	Very high	94.7	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.012	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-79.3	153	168.6	-62.4	-49.1	0	0	0	110.5	T36 R37 W38 P39 P45 H382 R384 G437 F438	T36-Y435 HydrophobicContact CG2-CD1 3.81Å; T36-Y435 HydrophobicContact CG2-CE1 3.96Å; T36-Y435 CarbonylContact O-C 3.53Å; T36-Y435 VanDerWaalsContact O-CA 3.28Å; T36-Y435 WeakPolarHBondContact O-CA 3.4Å; R37-Y435 WeakPolarHBondContact O-CD1 3.44Å; R37-Y435 WeakPolarHBondContact O-CE1 3.41Å; W38-Y435 HydrophobicContact CD2-CD2 4.34Å; W38-Y435 HydrophobicContact CD2-CG 4.21Å; W38-Y435 AromaticContact CE3-CD2 3.8Å; W38-Y435 HydrophobicContact CE3-CD2 3.8Å; W38-Y435 HydrophobicContact CE3-CG 4.14Å; W38-Y435 HydrophobicContact CH2-CD2 4.42Å; W38-Y435 AromaticContact CZ3-CD2 3.85Å; W38-Y435 HydrophobicContact CZ3-CD2 3.85Å; W38-Y435 HydrophobicContact CZ3-CG 4.45Å; P39-Y435 HydrophobicContact CG-CE2 4.24Å; P45-Y435 WeakPolarHBondContact CA-OH 3.45Å; P45-Y435 WeakPolarHBondContact CB-OH 3.5Å; H382-Y435 PolarHBondContact O-N 2.98Å; R384-Y435 PolarHBondContact NH2-OH 3.34Å; Y435-G437 PolarHBondContact O-N 3.02Å; Y435-F438 PolarHBondContact O-N 2.66Å
436	S	93.4	Very high	94.7	Very high	18 Å²	18	48.4 Å²	48.4	13%	0.126	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	124.4	-178.1	-53.7	0	0	0	0	110.1	T36 W38 V295	T36-S436 PolarHBondContact O-N 3.27Å; T36-S436 PolarHBondContact O-OG 2.67Å; W38-S436 PolarHBondContact NE1-O 2.78Å; V295-S436 WeakPolarHBondContact CG1-OG 3.22Å
437	G	93.1	Very high	94.1	Very high	16 Å²	16	49.4 Å²	49.4	17%	0.165	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	-2.9	-175.7	0	0	0	0	0	114.2	Y435 K446 D447 H450	Y435-G437 PolarHBondContact O-N 3.02Å; G437-K446 CarbonylContact O-C 3.59Å; G437-K446 WeakPolarHBondContact O-CA 3.48Å; G437-D447 PolarHBondContact O-N 3Å; G437-H450 PolarHBondContact N-CD2 3Å
438	F	94.9	Very high	92.8	Very high	26 Å²	26	49.5 Å²	49.5	11%	0.114	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.9	175.9	-71	-91.1	0	0	0	112	W38 H382 C434 Y435 C443 H445 K446	W38-F438 AromaticContact CH2-CD2 3.88Å; W38-F438 HydrophobicContact CH2-CD2 3.88Å; W38-F438 AromaticContact CH2-CE2 3.55Å; W38-F438 HydrophobicContact CH2-CE2 3.55Å; W38-F438 AromaticContact CZ2-CD2 3.57Å; W38-F438 HydrophobicContact CZ2-CD2 3.57Å; W38-F438 AromaticContact CZ2-CE2 3.41Å; W38-F438 HydrophobicContact CZ2-CE2 3.41Å; W38-F438 VanDerWaalsContact CZ2-CE2 3.41Å; H382-F438 HydrophobicContact CB-CB 4.07Å; H382-F438 HydrophobicContact CB-CD1 3.7Å; H382-F438 HydrophobicContact CB-CD2 3.84Å; H382-F438 HydrophobicContact CB-CE1 4.01Å; H382-F438 HydrophobicContact CB-CE2 4.16Å; H382-F438 HydrophobicContact CB-CG 3.59Å; H382-F438 HydrophobicContact CB-CZ 4.22Å; H382-F438 AromaticContact CD2-CE1 3.81Å; H382-F438 AromaticContact CD2-CE2 3.73Å; H382-F438 AromaticContact CD2-CZ 3.42Å; H382-F438 VanDerWaalsContact CD2-CZ 3.42Å; H382-F438 WeakPolarHBondContact CD2-CZ 3.41Å; H382-F438 AromaticContact CE1-CE1 3.48Å; H382-F438 VanDerWaalsContact CE1-CE1 3.48Å; H382-F438 WeakPolarHBondContact CE1-CE1 3.08Å; H382-F438 AromaticContact CE1-CZ 3.67Å; H382-F438 AromaticContact CG-CD1 3.65Å; H382-F438 AromaticContact CG-CE1 3.42Å; H382-F438 VanDerWaalsContact CG-CE1 3.42Å; H382-F438 AromaticContact CG-CE2 3.86Å; H382-F438 AromaticContact CG-CG 3.95Å; H382-F438 AromaticContact CG-CZ 3.52Å; H382-F438 AromaticContact ND1-CD1 3.62Å; H382-F438 AromaticContact ND1-CE1 3.21Å; H382-F438 WeakPolarHBondContact ND1-CE1 3.18Å; H382-F438 AromaticContact ND1-CZ 3.68Å; H382-F438 AromaticContact NE2-CE1 3.82Å; H382-F438 AromaticContact NE2-CZ 3.5Å; H382-F438 WeakPolarHBondContact NE2-CZ 3.3Å; C434-F438 HydrophobicContact CB-CB 4.25Å; C434-F438 WeakPolarHBondContact CB-O 3.41Å; Y435-F438 PolarHBondContact O-N 2.66Å; F438-C443 HydrophobicContact CB-CB 4.19Å; F438-C443 WeakPolarHBondContact CD1-O 3.12Å; F438-H445 CarbonylContact C-O 3.58Å; F438-H445 VanDerWaalsContact CA-O 3.27Å; F438-H445 WeakPolarHBondContact CA-O 3.45Å; F438-K446 HydrophobicContact CD1-CG 4.44Å; F438-K446 HydrophobicContact CE1-CG 4Å; F438-K446 HydrophobicContact CZ-CG 4.41Å
439	Q	93.3	Very high	91.3	Very high	82 Å²	82	49.9 Å²	49.9	38%	0.383	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	173.6	-178.8	68.8	-178.6	22	0	0	111.2	C443 H445	Q439-C443 WeakPolarHBondContact O-CA 3.32Å; Q439-H445 HydrophobicContact CG-CB 3.86Å; Q439-H445 PolarHBondContact N-O 2.92Å; Q439-H445 PolarHBondContact O-N 3.27Å
440	G	92.1	Very high	89.4	Confident	38 Å²	38	52.8 Å²	52.8	39%	0.392	28%	0.28	S	S	.	.	S	Bend	trans	94.1	166.1	-177.1	0	0	0	0	0	112.9	C434 G442 C443	C434-G440 PolarHBondContact SG-O 3.03Å; G440-G442 PolarHBondContact O-N 3.27Å; G440-C443 PolarHBondContact O-N 2.82Å; G440-C443 VanDerWaalsContact O-N 3.17Å
441	K	92.9	Very high	86.9	Confident	149 Å²	149	58.5 Å²	58.5	65%	0.648	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.3	-175.3	-172.1	-172.4	171.1	-156.2	0	112.3	D427 C432	D427-K441 IonicContact OD1-NZ 2.73Å; D427-K441 PolarHBondContact OD1-NZ 3.01Å; C432-K441 WeakPolarHBondContact CB-O 3.37Å
442	G	94.9	Very high	84.3	Confident	22 Å²	22	64 Å²	64	23%	0.227	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	11.9	179.9	0	0	0	0	0	115	L378 C379 G440 D444	L378-G442 VanDerWaalsContact O-CA 3.24Å; L378-G442 WeakPolarHBondContact O-CA 3.46Å; C379-G442 CarbonylContact C-O 3.55Å; C379-G442 VanDerWaalsContact CA-O 3.31Å; C379-G442 WeakPolarHBondContact CA-O 3.43Å; G440-G442 PolarHBondContact O-N 3.27Å; G442-D444 PolarHBondContact O-N 2.76Å
443	C	96.4	Very high	81.4	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.354	C	S	.	.	S	Bend	trans	54.2	35.2	-176.2	-48.3	0	0	0	0	113.8	H382 C432 C434 F438 Q439 G440	H382-C443 HydrophobicContact CB-CB 3.82Å; H382-C443 WeakPolarHBondContact CB-O 3.28Å; H382-C443 PolarHBondContact ND1-O 3.15Å; C432-C443 WeakPolarHBondContact CB-SG 2.77Å; C434-C443 WeakPolarHBondContact CA-SG 3.46Å; C434-C443 HydrophobicContact CB-CB 3.83Å; C434-C443 WeakPolarHBondContact CB-SG 3.15Å; C434-C443 WeakPolarHBondContact SG-CA 3.47Å; C434-C443 WeakPolarHBondContact SG-CB 3.46Å; C434-C443 CovalentContact SG-SG 2.04Å; C434-C443 PolarHBondContact SG-SG 3.16Å; F438-C443 HydrophobicContact CB-CB 4.19Å; F438-C443 WeakPolarHBondContact CD1-O 3.12Å; Q439-C443 WeakPolarHBondContact O-CA 3.32Å; G440-C443 PolarHBondContact O-N 2.82Å; G440-C443 VanDerWaalsContact O-N 3.17Å
444	D	94.1	Very high	78.5	Confident	104 Å²	104	70.7 Å²	70.7	56%	0.556	39%	0.389	S	S	*	.			trans	-93.3	-16.9	-175.3	57.8	-37.4	0	0	0	112.9	G442	G442-D444 PolarHBondContact O-N 2.76Å
445	H	92.3	Very high	75.5	Confident	106 Å²	106	73.4 Å²	73.4	49%	0.491	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.5	176.8	-54.7	-62.4	0	0	0	111.2	F438 Q439	F438-H445 CarbonylContact C-O 3.58Å; F438-H445 VanDerWaalsContact CA-O 3.27Å; F438-H445 WeakPolarHBondContact CA-O 3.45Å; Q439-H445 HydrophobicContact CG-CB 3.86Å; Q439-H445 PolarHBondContact N-O 2.92Å; Q439-H445 PolarHBondContact O-N 3.27Å
446	K	88.9	Confident	72.4	Confident	137 Å²	137	77.6 Å²	77.6	60%	0.596	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	133.7	169.4	-68.7	-177.6	179.2	179.3	0	109.8	G437 F438 P448	G437-K446 CarbonylContact O-C 3.59Å; G437-K446 WeakPolarHBondContact O-CA 3.48Å; F438-K446 HydrophobicContact CD1-CG 4.44Å; F438-K446 HydrophobicContact CE1-CG 4Å; F438-K446 HydrophobicContact CZ-CG 4.41Å; K446-P448 WeakPolarHBondContact O-CD 3.48Å
447	D	80.8	Confident	69.7	Low	28 Å²	28	86.5 Å²	86.5	15%	0.15	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-66.9	118	176.8	-179.3	-9	0	0	0	110.6	G437 L449 H450	G437-D447 PolarHBondContact O-N 3Å; D447-L449 VanDerWaalsContact C-N 3.27Å; D447-L449 PolarHBondContact O-N 2.98Å; D447-L449 WeakPolarHBondContact OD1-CB 3.43Å; D447-L449 PolarHBondContact OD1-N 2.66Å; D447-H450 HydrophobicContact CB-CB 4.4Å; D447-H450 PolarHBondContact O-N 3.45Å
448	P	65.6	Low	66.9	Low	75 Å²	75	90.8 Å²	90.8	49%	0.487	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-28.5	179.5	-19.7	31.6	0	0	0	114.1	K446 H450 Q451 R452	K446-P448 WeakPolarHBondContact O-CD 3.48Å; P448-H450 VanDerWaalsContact C-N 3.33Å; P448-Q451 PolarHBondContact O-N 2.92Å; P448-R452 PolarHBondContact O-N 3.28Å
449	L	64.9	Low	64.2	Low	99 Å²	99	101 Å²	101	52%	0.518	54%	0.539	S	S	.	.	H	α-helix	trans	-69.7	-35	179.9	-67.8	171.7	0	0	0	110.9	D447 Q451 R452 G453	D447-L449 VanDerWaalsContact C-N 3.27Å; D447-L449 PolarHBondContact O-N 2.98Å; D447-L449 WeakPolarHBondContact OD1-CB 3.43Å; D447-L449 PolarHBondContact OD1-N 2.66Å; L449-Q451 VanDerWaalsContact C-N 3.27Å; L449-Q451 PolarHBondContact O-N 3.09Å; L449-R452 PolarHBondContact O-N 3.28Å; L449-R452 VanDerWaalsContact O-N 3.17Å; L449-G453 PolarHBondContact O-N 3.36Å
450	H	56.3	Low	61.7	Low	102 Å²	102	102.3 Å²	102.3	47%	0.472	55%	0.553	S	S	.	*	H	α-helix	trans	-70.1	-24.3	176.5	-135.1	-29.1	0	0	0	112.7	G437 D447 P448	G437-H450 PolarHBondContact N-CD2 3Å; D447-H450 HydrophobicContact CB-CB 4.4Å; D447-H450 PolarHBondContact O-N 3.45Å; P448-H450 VanDerWaalsContact C-N 3.33Å
451	Q	45.5	Very low	59.7	Low	122 Å²	122	103.3 Å²	103.3	57%	0.57	55%	0.554	S	S	*	*	H	α-helix	trans	-71.7	-35.6	170	-67.1	-152.9	-17.3	0	0	112.9	P448 L449 A454 A455	P448-Q451 PolarHBondContact O-N 2.92Å; L449-Q451 VanDerWaalsContact C-N 3.27Å; L449-Q451 PolarHBondContact O-N 3.09Å; Q451-A454 PolarHBondContact O-N 2.94Å; Q451-A455 PolarHBondContact O-N 3.04Å; Q451-A455 VanDerWaalsContact O-N 3.11Å
452	R	40.9	Very low	57.6	Low	183 Å²	183	100 Å²	100	69%	0.691	55%	0.554	S	S	*	*	H	α-helix	trans	-71.1	-32.1	177.4	-70.3	-178.4	178.4	176.7	0.2	112.5	P448 L449 A454 A455 T456	P448-R452 PolarHBondContact O-N 3.28Å; L449-R452 PolarHBondContact O-N 3.28Å; L449-R452 VanDerWaalsContact O-N 3.17Å; R452-A454 PolarHBondContact O-N 3.07Å; R452-A455 CarbonylContact O-C 3.53Å; R452-T456 PolarHBondContact O-OG1 3.28Å
453	G	36.6	Very low	55.4	Low	72 Å²	72	104.8 Å²	104.8	74%	0.742	57%	0.574	S	S	*	*	H	α-helix	trans	-69.9	-24.8	175.5	0	0	0	0	0	115	L449	L449-G453 PolarHBondContact O-N 3.36Å
454	A	37.8	Very low	53	Low	93 Å²	93	110.9 Å²	110.9	77%	0.769	60%	0.603	S	S	*	*	H	α-helix	trans	-96.2	-20.6	176.9	0	0	0	0	0	113.3	Q451 R452	Q451-A454 PolarHBondContact O-N 2.94Å; R452-A454 PolarHBondContact O-N 3.07Å
455	A	33.8	Very low	51	Low	67 Å²	67	109.4 Å²	109.4	55%	0.554	60%	0.599	S	S	*	*	S	Bend	trans	-128.4	78	177.8	0	0	0	0	0	109.5	Q451 R452	Q451-A455 PolarHBondContact O-N 3.04Å; Q451-A455 VanDerWaalsContact O-N 3.11Å; R452-A455 CarbonylContact O-C 3.53Å
456	T	32.3	Very low	49.7	Very low	91 Å²	91	107.9 Å²	107.9	56%	0.558	60%	0.597	S	S	*	*			trans	162.8	78.3	146.6	36.7	0	0	0	0	110.8	R452 T458	R452-T456 PolarHBondContact O-OG1 3.28Å; T456-T458 HydrophobicContact CG2-CG2 3.68Å; T456-T458 PolarHBondContact O-N 3.13Å
457	Q	36.4	Very low	48.7	Very low	205 Å²	205	106 Å²	106	96%	0.958	59%	0.593	S	S	*	*			trans	-77.4	66	135.6	-91.4	-173.9	-7.8	0	0	107.6	R459	Q457-R459 PolarHBondContact O-N 3.15Å; Q457-R459 VanDerWaalsContact O-N 3.13Å
458	T	33.5	Very low	47.9	Very low	106 Å²	106	111.9 Å²	111.9	65%	0.65	62%	0.617	S	S	*	*			trans	-71.5	107.6	162.2	33.7	0	0	0	0	106.1	T456 T460	T456-T458 HydrophobicContact CG2-CG2 3.68Å; T456-T458 PolarHBondContact O-N 3.13Å; T458-T460 PolarHBondContact O-N 3.2Å
459	R	39.9	Very low	47.7	Very low	240 Å²	240	113.6 Å²	113.6	91%	0.906	62%	0.622	S	S	*	*			trans	-36.8	115.4	158.9	-75.5	178.1	171.1	175.3	-3.1	107.5	Q457 S461	Q457-R459 PolarHBondContact O-N 3.15Å; Q457-R459 VanDerWaalsContact O-N 3.13Å; R459-S461 VanDerWaalsContact C-N 3.34Å; R459-S461 PolarHBondContact O-N 3.27Å
460	T	39.3	Very low	47.9	Very low	110 Å²	110	113.3 Å²	113.3	68%	0.675	62%	0.62	S	S	*	*			trans	-50.9	108.4	158.9	28.5	0	0	0	0	105.8	T458 A462	T458-T460 PolarHBondContact O-N 3.2Å; T460-A462 PolarHBondContact O-N 3.04Å
461	S	49.7	Very low	48.5	Very low	59 Å²	59	111.5 Å²	111.5	41%	0.413	62%	0.616	S	S	.	*			trans	-60.8	134.7	179.1	75	0	0	0	0	107	R459 L463 Q464	R459-S461 VanDerWaalsContact C-N 3.34Å; R459-S461 PolarHBondContact O-N 3.27Å; S461-L463 PolarHBondContact O-N 3.28Å; S461-Q464 PolarHBondContact O-N 2.66Å
462	A	50	Low	49.6	Very low	80 Å²	80	108.5 Å²	108.5	66%	0.661	61%	0.606	S	S	*	*	H	α-helix	trans	-50.7	-22.8	177.8	0	0	0	0	0	112.4	T460 Q464 C465 V466	T460-A462 PolarHBondContact O-N 3.04Å; A462-Q464 PolarHBondContact O-N 3.07Å; A462-C465 PolarHBondContact O-N 2.91Å; A462-V466 VanDerWaalsContact O-CG2 3.25Å; A462-V466 WeakPolarHBondContact O-CG2 3.21Å; A462-V466 PolarHBondContact O-N 2.82Å
463	L	47.9	Very low	50.8	Low	122 Å²	122	103.9 Å²	103.9	64%	0.639	60%	0.598	S	S	*	*	H	α-helix	trans	-60.9	-38.3	174.6	-147.6	76.3	0	0	0	113.5	S461 V466 I467	S461-L463 PolarHBondContact O-N 3.28Å; L463-V466 PolarHBondContact O-N 2.59Å; L463-I467 HydrophobicContact CG-CD1 4.39Å; L463-I467 WeakPolarHBondContact O-CD1 3.14Å; L463-I467 WeakPolarHBondContact O-CG1 3.44Å; L463-I467 PolarHBondContact O-N 2.9Å
464	Q	46.4	Very low	51.9	Low	128 Å²	128	106.3 Å²	106.3	60%	0.598	59%	0.593	S	S	*	*	H	α-helix	trans	-72.5	-35.1	179.2	-82.2	178.2	-34.9	0	0	112.5	S461 A462 F468	S461-Q464 PolarHBondContact O-N 2.66Å; A462-Q464 PolarHBondContact O-N 3.07Å; Q464-F468 WeakPolarHBondContact O-CB 3.35Å; Q464-F468 PolarHBondContact O-N 3.12Å; Q464-F468 VanDerWaalsContact O-N 3.1Å
465	C	52.1	Low	52.8	Low	72 Å²	72	108.8 Å²	108.8	49%	0.486	59%	0.593	S	S	.	*	H	α-helix	trans	-68.8	-37.2	172.5	-71.9	0	0	0	0	111.8	A462 F468 L469	A462-C465 PolarHBondContact O-N 2.91Å; C465-F468 PolarHBondContact O-N 3.43Å; C465-L469 WeakPolarHBondContact O-CB 3.32Å; C465-L469 PolarHBondContact O-N 3.25Å
466	V	64.8	Low	53.9	Low	75 Å²	75	112.4 Å²	112.4	46%	0.455	60%	0.602	S	S	.	*	H	α-helix	trans	-68.5	-41.4	176.8	171.8	0	0	0	0	111.3	A462 L463 F468 L469 I470	A462-V466 VanDerWaalsContact O-CG2 3.25Å; A462-V466 WeakPolarHBondContact O-CG2 3.21Å; A462-V466 PolarHBondContact O-N 2.82Å; L463-V466 PolarHBondContact O-N 2.59Å; V466-F468 VanDerWaalsContact C-N 3.32Å; V466-F468 PolarHBondContact O-N 3.12Å; V466-L469 PolarHBondContact O-N 3.06Å; V466-I470 HydrophobicContact CG1-CD1 3.68Å; V466-I470 HydrophobicContact CG1-CG1 4.37Å; V466-I470 WeakPolarHBondContact O-CB 3.36Å; V466-I470 VanDerWaalsContact O-CG1 3.25Å; V466-I470 WeakPolarHBondContact O-CG1 3.42Å; V466-I470 PolarHBondContact O-N 3.39Å
467	I	67.5	Low	54.5	Low	97 Å²	97	115.8 Å²	115.8	50%	0.497	63%	0.628	S	S	.	*	H	α-helix	trans	-62.8	-41.5	175.6	-68.6	164	0	0	0	110.7	L463 I470 T471	L463-I467 HydrophobicContact CG-CD1 4.39Å; L463-I467 WeakPolarHBondContact O-CD1 3.14Å; L463-I467 WeakPolarHBondContact O-CG1 3.44Å; L463-I467 PolarHBondContact O-N 2.9Å; I467-I470 PolarHBondContact O-N 3.3Å; I467-T471 PolarHBondContact O-N 3.29Å; I467-T471 PolarHBondContact O-OG1 3.48Å
468	F	65	Low	55.4	Low	151 Å²	151	111.4 Å²	111.4	66%	0.662	61%	0.611	S	S	*	*	H	α-helix	trans	-67.1	-36.7	177.8	-161	-94.2	0	0	0	112.8	Q464 C465 V466 T471 V472	Q464-F468 WeakPolarHBondContact O-CB 3.35Å; Q464-F468 PolarHBondContact O-N 3.12Å; Q464-F468 VanDerWaalsContact O-N 3.1Å; C465-F468 PolarHBondContact O-N 3.43Å; V466-F468 VanDerWaalsContact C-N 3.32Å; V466-F468 PolarHBondContact O-N 3.12Å; F468-T471 WeakPolarHBondContact CA-OG1 3.43Å; F468-T471 PolarHBondContact O-OG1 2.95Å; F468-T471 VanDerWaalsContact O-OG1 3.05Å; F468-V472 HydrophobicContact CD1-CG2 4.17Å; F468-V472 HydrophobicContact CE1-CG2 4.01Å; F468-V472 WeakPolarHBondContact O-CB 3.38Å; F468-V472 WeakPolarHBondContact O-CG2 3.4Å; F468-V472 PolarHBondContact O-N 3.35Å; F468-V472 VanDerWaalsContact O-N 3.11Å
469	L	62.1	Low	56.6	Low	112 Å²	112	111.6 Å²	111.6	59%	0.586	61%	0.609	S	S	*	*	H	α-helix	trans	-67.6	-40.6	173.8	-94.7	149.6	0	0	0	112	C465 V466 V472 V473	C465-L469 WeakPolarHBondContact O-CB 3.32Å; C465-L469 PolarHBondContact O-N 3.25Å; V466-L469 PolarHBondContact O-N 3.06Å; L469-V472 PolarHBondContact O-N 2.95Å; L469-V473 VanDerWaalsContact O-CG2 3.26Å; L469-V473 WeakPolarHBondContact O-CG2 3.35Å; L469-V473 PolarHBondContact O-N 3.49Å
470	I	68.3	Low	57.5	Low	93 Å²	93	104.5 Å²	104.5	48%	0.477	59%	0.593	S	S	.	*	H	α-helix	trans	-67.9	-40.5	178.5	-68.9	168.3	0	0	0	111	V466 I467 V473 L474	V466-I470 HydrophobicContact CG1-CD1 3.68Å; V466-I470 HydrophobicContact CG1-CG1 4.37Å; V466-I470 WeakPolarHBondContact O-CB 3.36Å; V466-I470 VanDerWaalsContact O-CG1 3.25Å; V466-I470 WeakPolarHBondContact O-CG1 3.42Å; V466-I470 PolarHBondContact O-N 3.39Å; I467-I470 PolarHBondContact O-N 3.3Å; I470-V473 PolarHBondContact O-N 3.07Å; I470-L474 HydrophobicContact CG2-CD1 3.79Å; I470-L474 HydrophobicContact CG2-CG 4.47Å; I470-L474 WeakPolarHBondContact O-CB 3.4Å; I470-L474 WeakPolarHBondContact O-CG 3.05Å; I470-L474 PolarHBondContact O-N 3.37Å
471	T	67.9	Low	58.5	Low	63 Å²	63	104.2 Å²	104.2	39%	0.387	59%	0.588	S	S	.	*	H	α-helix	trans	-68.2	-36.4	177.1	46	0	0	0	0	112.5	I467 F468 L474 L475	I467-T471 PolarHBondContact O-N 3.29Å; I467-T471 PolarHBondContact O-OG1 3.48Å; F468-T471 WeakPolarHBondContact CA-OG1 3.43Å; F468-T471 PolarHBondContact O-OG1 2.95Å; F468-T471 VanDerWaalsContact O-OG1 3.05Å; T471-L474 PolarHBondContact O-N 3.06Å; T471-L475 WeakPolarHBondContact O-CB 3.45Å; T471-L475 WeakPolarHBondContact O-CD1 3.45Å; T471-L475 VanDerWaalsContact O-CG 3.31Å; T471-L475 WeakPolarHBondContact O-CG 3.48Å; T471-L475 PolarHBondContact O-N 2.89Å; T471-L475 VanDerWaalsContact O-N 3.1Å
472	V	68.8	Low	59.1	Low	59 Å²	59	107 Å²	107	36%	0.358	60%	0.599	S	S	.	*	H	α-helix	trans	-68	-38.2	175.4	170.5	0	0	0	0	111.5	F468 L469 L475 L476	F468-V472 HydrophobicContact CD1-CG2 4.17Å; F468-V472 HydrophobicContact CE1-CG2 4.01Å; F468-V472 WeakPolarHBondContact O-CB 3.38Å; F468-V472 WeakPolarHBondContact O-CG2 3.4Å; F468-V472 PolarHBondContact O-N 3.35Å; F468-V472 VanDerWaalsContact O-N 3.11Å; L469-V472 PolarHBondContact O-N 2.95Å; V472-L475 PolarHBondContact O-N 3Å; V472-L476 HydrophobicContact CG1-CD1 3.74Å; V472-L476 WeakPolarHBondContact O-CB 3.36Å; V472-L476 WeakPolarHBondContact O-CD1 3.46Å; V472-L476 WeakPolarHBondContact O-CG 3.47Å; V472-L476 PolarHBondContact O-N 2.74Å
473	V	67.8	Low	59.7	Low	86 Å²	86	108.8 Å²	108.8	52%	0.521	60%	0.595	S	S	.	*	H	α-helix	trans	-69	-38.6	176.1	172.3	0	0	0	0	111.7	L469 I470 L475 L476 C477	L469-V473 VanDerWaalsContact O-CG2 3.26Å; L469-V473 WeakPolarHBondContact O-CG2 3.35Å; L469-V473 PolarHBondContact O-N 3.49Å; I470-V473 PolarHBondContact O-N 3.07Å; V473-L475 VanDerWaalsContact C-N 3.27Å; V473-L475 PolarHBondContact O-N 3.18Å; V473-L476 PolarHBondContact O-N 2.71Å; V473-C477 PolarHBondContact O-N 2.71Å
474	L	59	Low	60.5	Low	124 Å²	124	107.9 Å²	107.9	65%	0.649	59%	0.591	S	S	*	*	H	α-helix	trans	-71.3	-18.4	176.1	-76.1	167	0	0	0	114.1	I470 T471	I470-L474 HydrophobicContact CG2-CD1 3.79Å; I470-L474 HydrophobicContact CG2-CG 4.47Å; I470-L474 WeakPolarHBondContact O-CB 3.4Å; I470-L474 WeakPolarHBondContact O-CG 3.05Å; I470-L474 PolarHBondContact O-N 3.37Å; T471-L474 PolarHBondContact O-N 3.06Å
475	L	57	Low	61.6	Low	145 Å²	145	106.3 Å²	106.3	76%	0.759	59%	0.591	S	S	*	*	H	α-helix	trans	-91.9	-10.7	175	-76.4	164.4	0	0	0	112.9	T471 V472 V473	T471-L475 WeakPolarHBondContact O-CB 3.45Å; T471-L475 WeakPolarHBondContact O-CD1 3.45Å; T471-L475 VanDerWaalsContact O-CG 3.31Å; T471-L475 WeakPolarHBondContact O-CG 3.48Å; T471-L475 PolarHBondContact O-N 2.89Å; T471-L475 VanDerWaalsContact O-N 3.1Å; V472-L475 PolarHBondContact O-N 3Å; V473-L475 VanDerWaalsContact C-N 3.27Å; V473-L475 PolarHBondContact O-N 3.18Å
476	L	55.6	Low	62.4	Low	143 Å²	143	109.2 Å²	109.2	75%	0.749	60%	0.6	S	S	*	*	H	α-helix	trans	-111.4	-0.1	-178.7	-72.7	168.3	0	0	0	113.5	V472 V473	V472-L476 HydrophobicContact CG1-CD1 3.74Å; V472-L476 WeakPolarHBondContact O-CB 3.36Å; V472-L476 WeakPolarHBondContact O-CD1 3.46Å; V472-L476 WeakPolarHBondContact O-CG 3.47Å; V472-L476 PolarHBondContact O-N 2.74Å; V473-L476 PolarHBondContact O-N 2.71Å
477	C	45.4	Very low	62.2	Low	162 Å²	162	112.3 Å²	112.3	100%	1.095	61%	0.613	S	S	*	*			trans	-110	0	164.2	-72.4	0	0	0	0	108.7	V473	V473-C477 PolarHBondContact O-N 2.71Å

Retrieved 477 of 477 residues in 1012.4 ms (Link to these results)

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