A0A087YM13_POEFO Loading...

Probable cysteine--tRNA ligase, mitochondrial

In addition to its role as an aminoacyl-tRNA synthetase, has also cysteine persulfide synthase activity. Produces reactive persulfide species such as cysteine persulfide (CysSSH) from substrate cysteine and mediate direct incorporation of CysSSH into proteins during translations, resulting in protein persulfides and polysulfides. CysSSHs behave as potent antioxidants and cellular protectants. Mitochondrial cysteine-specific aminoacyl-tRNA synthetase that catalyzes the ATP-dependent ligation of cysteine to tRNA(Cys).

AlphaFold DB , UniProt , Accession A0A087YM13, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 553 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	29.1	Very low	229 Å²	229	148 Å²	148	100%	1.128	84%	0.841	S	S	*	*				0	108.9	0	-78.4	173.9	-179.5	0	0	107.5
2	I	31.9	Very low	29.1	Very low	142 Å²	142	150.5 Å²	150.5	73%	0.728	85%	0.848	S	S	*	*				68	117.5	113.2	-59.8	176.3	0	0	0	110.5
3	R	29	Very low	29.1	Very low	237 Å²	237	150.5 Å²	150.5	89%	0.894	84%	0.842	S	S	*	*			cis	-162.8	146.2	36.8	-129	154.4	-155.7	-163.7	3.9	112.1
4	S	29.7	Very low	29	Very low	121 Å²	121	147.4 Å²	147.4	85%	0.846	84%	0.835	S	S	*	*			trans	-71.7	152.4	164.2	164.8	0	0	0	0	111.9
5	G	28.5	Very low	28.9	Very low	70 Å²	70	144.5 Å²	144.5	72%	0.722	83%	0.828	S	S	*	*			trans	-176.1	92.6	164.9	0	0	0	0	0	111.9
6	K	29.6	Very low	28.8	Very low	210 Å²	210	142.4 Å²	142.4	91%	0.913	82%	0.823	S	S	*	*			trans	-134	119.3	159.3	-85.5	-170.3	177.2	-178.8	0	109.2
7	T	28.6	Very low	28.8	Very low	135 Å²	135	140.8 Å²	140.8	83%	0.828	82%	0.821	S	S	*	*			trans	-98.1	148.5	173.7	-50.8	0	0	0	0	109.7
8	L	27.4	Very low	28.8	Very low	165 Å²	165	139.7 Å²	139.7	86%	0.864	82%	0.816	S	S	*	*			trans	-36.1	144.8	-176.9	-78.3	68.9	0	0	0	118.1
9	C	26.5	Very low	28.9	Very low	127 Å²	127	138 Å²	138	86%	0.858	81%	0.81	S	S	*	*			trans	-132.9	120.6	141.4	-163.8	0	0	0	0	108.2
10	G	26.9	Very low	28.9	Very low	71 Å²	71	138 Å²	138	73%	0.732	80%	0.804	S	S	*	*			trans	-78.7	143.5	178.4	0	0	0	0	0	111.9
11	V	29.2	Very low	29.1	Very low	121 Å²	121	142.5 Å²	142.5	73%	0.733	81%	0.808	S	S	*	*			trans	-134.3	116.6	166.2	179.2	0	0	0	0	107.7	I13	V11-I13 HydrophobicContact CG1-CG1 4.19Å
12	L	28.6	Very low	29	Very low	178 Å²	178	138.9 Å²	138.9	93%	0.932	79%	0.788	S	S	*	*			trans	-64.5	123.4	166.5	-79.4	148.9	0	0	0	108.9
13	I	29.4	Very low	29.1	Very low	150 Å²	150	138 Å²	138	77%	0.769	80%	0.795	S	S	*	*			trans	-118.5	110	168.1	-59.2	179.4	0	0	0	108.2	V11 S15	V11-I13 HydrophobicContact CG1-CG1 4.19Å; I13-S15 PolarHBondContact O-N 2.97Å
14	S	27.9	Very low	29.6	Very low	107 Å²	107	131.3 Å²	131.3	75%	0.748	78%	0.78	S	S	*	*			trans	-61.5	118.8	165.4	178.9	0	0	0	0	109.3	C16	S14-C16 PolarHBondContact O-N 3.43Å
15	S	27.3	Very low	30.5	Very low	104 Å²	104	129 Å²	129	73%	0.727	76%	0.763	S	S	*	*			trans	-91.3	97.3	173.2	-169	0	0	0	0	109.3	I13 C17	I13-S15 PolarHBondContact O-N 2.97Å; S15-C17 PolarHBondContact O-N 3.27Å
16	C	27.8	Very low	31.8	Very low	111 Å²	111	126.6 Å²	126.6	75%	0.75	74%	0.739	S	S	*	*			trans	-71	99.9	163.6	-78.5	0	0	0	0	109	S14 V18	S14-C16 PolarHBondContact O-N 3.43Å; C16-V18 PolarHBondContact O-N 3.33Å
17	C	28.3	Very low	33.5	Very low	116 Å²	116	120 Å²	120	78%	0.784	71%	0.71	S	S	*	*			trans	-73.1	106	166.4	-74.6	0	0	0	0	109.7	S15	S15-C17 PolarHBondContact O-N 3.27Å
18	V	27.8	Very low	36	Very low	120 Å²	120	116 Å²	116	73%	0.727	69%	0.691	S	S	*	*			trans	-83.1	125.6	162.3	178.8	0	0	0	0	107.6	C16 I20	C16-V18 PolarHBondContact O-N 3.33Å; V18-I20 PolarHBondContact O-N 3.13Å
19	P	30.9	Very low	39.1	Very low	108 Å²	108	110.3 Å²	110.3	70%	0.701	66%	0.658	S	S	*	*			trans	-75.9	111.4	174.8	28.7	-28.5	0	0	0	109	R21	P19-R21 PolarHBondContact O-N 2.84Å
20	I	30	Very low	42.3	Very low	137 Å²	137	109.2 Å²	109.2	70%	0.703	64%	0.642	S	S	*	*			trans	-68.8	98.6	167.2	-62.1	175.4	0	0	0	107.2	V18 H22	V18-I20 PolarHBondContact O-N 3.13Å; I20-H22 WeakPolarHBondContact CG2-CE1 3.46Å; I20-H22 WeakPolarHBondContact CG2-ND1 3.46Å; I20-H22 PolarHBondContact O-N 3.49Å; I20-H22 VanDerWaalsContact O-N 3.13Å
21	R	33.4	Very low	45.5	Very low	234 Å²	234	109.8 Å²	109.8	88%	0.883	63%	0.632	S	S	*	*			trans	-74.2	93.1	164.7	-73.7	-174.6	178.4	-163.3	-0.4	108.1	P19	P19-R21 PolarHBondContact O-N 2.84Å
22	H	30.4	Very low	48.6	Very low	152 Å²	152	104.7 Å²	104.7	70%	0.704	60%	0.601	S	S	*	*			trans	-83.9	109.7	157.4	-78.1	5.6	0	0	0	107.6	I20 V24	I20-H22 WeakPolarHBondContact CG2-CE1 3.46Å; I20-H22 WeakPolarHBondContact CG2-ND1 3.46Å; I20-H22 PolarHBondContact O-N 3.49Å; I20-H22 VanDerWaalsContact O-N 3.13Å; H22-V24 HydrophobicContact CB-CG2 4.27Å; H22-V24 PolarHBondContact O-N 2.94Å
23	S	33.3	Very low	51.7	Low	124 Å²	124	105.6 Å²	105.6	87%	0.867	60%	0.597	S	S	*	*			trans	-73.6	71.6	168.3	68.5	0	0	0	0	108.9
24	V	40.1	Very low	54.8	Low	97 Å²	97	101 Å²	101	59%	0.588	59%	0.587	S	S	*	*			trans	-75.6	122.2	159.6	-175.7	0	0	0	0	104.9	H22 G26 A28	H22-V24 HydrophobicContact CB-CG2 4.27Å; H22-V24 PolarHBondContact O-N 2.94Å; V24-G26 PolarHBondContact O-N 2.97Å; V24-A28 HydrophobicContact CG1-CB 3.79Å
25	S	47.9	Very low	58.1	Low	71 Å²	71	99.1 Å²	99.1	50%	0.497	57%	0.566	S	S	.	*			trans	-42.6	127.4	169.4	159.8	0	0	0	0	109.2	K27 A28	S25-K27 PolarHBondContact O-N 2.57Å; S25-A28 PolarHBondContact O-N 3.1Å
26	G	57.1	Low	61.4	Low	20 Å²	20	98.5 Å²	98.5	21%	0.206	55%	0.554	C	S	.	*	T	Hydrogen-bonded Turn	trans	-61.3	-3.2	-176	0	0	0	0	0	114.6	V24 D189	V24-G26 PolarHBondContact O-N 2.97Å; G26-D189 PolarHBondContact N-OD2 2.97Å
27	K	65.1	Low	64.7	Low	73 Å²	73	93.9 Å²	93.9	32%	0.317	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-11.4	178.1	-57.3	-167	175.1	-157.4	0	114.5	S25 W29 D189 Y191 G192	S25-K27 PolarHBondContact O-N 2.57Å; K27-W29 PolarHBondContact O-N 3.36Å; K27-D189 WeakPolarHBondContact CE-O 3.12Å; K27-D189 WeakPolarHBondContact CG-O 3.18Å; K27-Y191 WeakPolarHBondContact CE-O 3.41Å; K27-Y191 PolarHBondContact NZ-O 3.03Å; K27-G192 PolarHBondContact NZ-O 3.48Å
28	A	80.7	Confident	67.9	Low	50 Å²	50	90.8 Å²	90.8	41%	0.413	51%	0.511	S	S	.	.			trans	-72.3	117	-174.8	0	0	0	0	0	110.3	V24 S25	V24-A28 HydrophobicContact CG1-CB 3.79Å; S25-A28 PolarHBondContact O-N 3.1Å
29	W	92.3	Very high	71.3	Confident	45 Å²	45	85.1 Å²	85.1	17%	0.17	48%	0.476	C	S	.	.			trans	-62.2	137.4	170.1	178.6	80.9	0	0	0	110.3	K27 T31 P32 N43 T46 E50 Q284 N287 Y288	K27-W29 PolarHBondContact O-N 3.36Å; W29-T31 HydrophobicContact CH2-CG2 4.08Å; W29-T31 HydrophobicContact CZ3-CG2 4.32Å; W29-T31 VanDerWaalsContact CZ3-OG1 3.27Å; W29-T31 WeakPolarHBondContact CZ3-OG1 3.49Å; W29-P32 VanDerWaalsContact CZ2-CD 3.41Å; W29-P32 HydrophobicContact CZ2-CG 4.26Å; W29-N43 PolarHBondContact NE1-ND2 3.48Å; W29-T46 HydrophobicContact CB-CG2 3.44Å; W29-T46 VanDerWaalsContact CB-CG2 3.44Å; W29-T46 HydrophobicContact CD2-CG2 3.63Å; W29-T46 HydrophobicContact CE3-CG2 3.82Å; W29-T46 HydrophobicContact CG-CG2 3.47Å; W29-T46 VanDerWaalsContact CG-CG2 3.47Å; W29-E50 HydrophobicContact CE3-CG 4.43Å; W29-E50 HydrophobicContact CH2-CB 3.8Å; W29-E50 HydrophobicContact CH2-CG 3.72Å; W29-E50 HydrophobicContact CZ2-CB 4.31Å; W29-E50 HydrophobicContact CZ2-CG 4.17Å; W29-E50 HydrophobicContact CZ3-CB 4.34Å; W29-E50 VanDerWaalsContact CZ3-CD 3.5Å; W29-E50 HydrophobicContact CZ3-CG 3.86Å; W29-E50 WeakPolarHBondContact CZ3-OE2 3.45Å; W29-Q284 VanDerWaalsContact CD1-OE1 3.3Å; W29-N287 PolarHBondContact NE1-O 2.9Å; W29-Y288 HydrophobicContact CH2-CE1 4.38Å; W29-Y288 HydrophobicContact CZ2-CD1 4.48Å; W29-Y288 AromaticContact CZ2-CE1 3.79Å; W29-Y288 HydrophobicContact CZ2-CE1 3.79Å
30	I	93.1	Very high	74.5	Confident	105 Å²	105	85.7 Å²	85.7	54%	0.538	47%	0.468	S	S	.	.			trans	-107.1	122.6	-179.6	-57.7	171.8	0	0	0	107.5	P32 Q284	I30-P32 WeakPolarHBondContact O-CD 3.46Å; I30-Q284 PolarHBondContact O-NE2 3.15Å; I30-Q284 PolarHBondContact O-OE1 3.03Å
31	T	94.1	Very high	77.7	Confident	82 Å²	82	79.1 Å²	79.1	50%	0.503	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-57.6	123.5	175.2	-51.3	0	0	0	0	110.3	W29 I53	W29-T31 HydrophobicContact CH2-CG2 4.08Å; W29-T31 HydrophobicContact CZ3-CG2 4.32Å; W29-T31 VanDerWaalsContact CZ3-OG1 3.27Å; W29-T31 WeakPolarHBondContact CZ3-OG1 3.49Å; T31-I53 HydrophobicContact CG2-CD1 3.81Å
32	P	94.4	Very high	80.8	Confident	15 Å²	15	70.2 Å²	70.2	10%	0.097	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-61.4	153.8	177.5	-21.9	33	0	0	0	111.2	W29 I30 I53 N287 Y288	W29-P32 VanDerWaalsContact CZ2-CD 3.41Å; W29-P32 HydrophobicContact CZ2-CG 4.26Å; I30-P32 WeakPolarHBondContact O-CD 3.46Å; P32-I53 HydrophobicContact CB-CB 4.32Å; P32-I53 HydrophobicContact CB-CG2 4.34Å; P32-N287 HydrophobicContact CG-CB 3.62Å; P32-Y288 HydrophobicContact CG-CE2 4.04Å
33	K	93.4	Very high	84	Confident	196 Å²	196	63 Å²	63	85%	0.852	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-102.4	139	168.3	-63.8	-179.4	-178.7	178.5	0	108.3
34	G	95.5	Very high	86.9	Confident	54 Å²	54	57.7 Å²	57.7	56%	0.557	33%	0.331	S	S	*	.	S	Bend	trans	152	-142.5	177.3	0	0	0	0	0	112.2	L54	G34-L54 CarbonylContact C-O 3.59Å; G34-L54 VanDerWaalsContact CA-O 3.32Å; G34-L54 WeakPolarHBondContact CA-O 3.41Å
35	F	96.7	Very high	89.4	Confident	67 Å²	67	54.5 Å²	54.5	29%	0.294	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	117	-174.6	174.6	-101.9	0	0	0	111.5	T37 I53 L54 E57	F35-T37 HydrophobicContact CD1-CG2 4.12Å; F35-T37 HydrophobicContact CE1-CG2 4.13Å; F35-T37 PolarHBondContact O-N 3.37Å; F35-I53 CarbonylContact O-C 3.57Å; F35-I53 VanDerWaalsContact O-CA 3.31Å; F35-I53 WeakPolarHBondContact O-CA 3.42Å; F35-L54 HydrophobicContact CD1-CD1 4.35Å; F35-L54 PolarHBondContact N-O 2.77Å; F35-L54 PolarHBondContact O-N 3.3Å; F35-E57 HydrophobicContact CB-CB 4.29Å; F35-E57 HydrophobicContact CB-CG 4.46Å; F35-E57 HydrophobicContact CD2-CB 4.43Å; F35-E57 HydrophobicContact CD2-CG 3.71Å; F35-E57 HydrophobicContact CE2-CG 4.13Å; F35-E57 HydrophobicContact CG-CB 4.45Å; F35-E57 HydrophobicContact CG-CG 4.14Å
36	D	96.9	Very high	91.6	Very high	92 Å²	92	52.8 Å²	52.8	49%	0.492	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	117.7	171.9	-172.1	-11.1	0	0	0	109.8	G38	D36-G38 PolarHBondContact O-N 3.3Å; D36-G38 PolarHBondContact OD1-N 3.31Å
37	T	97.2	Very high	93.3	Very high	13 Å²	13	57.8 Å²	57.8	8%	0.08	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-10	179.5	59.2	0	0	0	0	113.4	F35 I39 L52 L54 V97	F35-T37 HydrophobicContact CD1-CG2 4.12Å; F35-T37 HydrophobicContact CE1-CG2 4.13Å; F35-T37 PolarHBondContact O-N 3.37Å; T37-I39 PolarHBondContact O-N 3.42Å; T37-I39 WeakPolarHBondContact OG1-CB 3.29Å; T37-I39 PolarHBondContact OG1-N 3.03Å; T37-L52 HydrophobicContact CG2-CD2 4.35Å; T37-L52 HydrophobicContact CG2-CG 4.25Å; T37-L52 WeakPolarHBondContact CG2-O 3.31Å; T37-L52 PolarHBondContact N-O 2.87Å; T37-L52 VanDerWaalsContact N-O 3.12Å; T37-L52 WeakPolarHBondContact OG1-CB 3.45Å; T37-L52 PolarHBondContact OG1-O 3.35Å; T37-L54 HydrophobicContact CG2-CD1 3.53Å; T37-L54 HydrophobicContact CG2-CD2 4.35Å; T37-L54 HydrophobicContact CG2-CG 3.61Å; T37-V97 HydrophobicContact CG2-CG2 3.9Å
38	G	96.2	Very high	94.7	Very high	52 Å²	52	60.5 Å²	60.5	54%	0.536	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.8	2.3	-169.9	0	0	0	0	0	113.6	D36	D36-G38 PolarHBondContact O-N 3.3Å; D36-G38 PolarHBondContact OD1-N 3.31Å
39	I	98.1	Very high	95.6	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.9	177.5	-59.7	174	0	0	0	109.2	T37 L52 L91 F95 A397 F400	T37-I39 PolarHBondContact O-N 3.42Å; T37-I39 WeakPolarHBondContact OG1-CB 3.29Å; T37-I39 PolarHBondContact OG1-N 3.03Å; I39-L52 HydrophobicContact CB-CB 4.23Å; I39-L52 HydrophobicContact CB-CD2 4.38Å; I39-L52 HydrophobicContact CD1-CD2 4.41Å; I39-L52 HydrophobicContact CG2-CB 4.47Å; I39-L52 HydrophobicContact CG2-CD2 4.42Å; I39-L52 PolarHBondContact O-N 3.19Å; I39-L91 HydrophobicContact CD1-CD2 3.25Å; I39-F95 HydrophobicContact CD1-CB 4.06Å; I39-F95 HydrophobicContact CD1-CD1 3.82Å; I39-F95 HydrophobicContact CD1-CD2 3.56Å; I39-F95 HydrophobicContact CD1-CE1 4.13Å; I39-F95 HydrophobicContact CD1-CE2 3.89Å; I39-F95 HydrophobicContact CD1-CG 3.53Å; I39-F95 HydrophobicContact CD1-CZ 4.17Å; I39-F95 HydrophobicContact CG1-CD1 3.6Å; I39-F95 HydrophobicContact CG1-CD2 4.12Å; I39-F95 HydrophobicContact CG1-CE1 3.59Å; I39-F95 HydrophobicContact CG1-CE2 4.11Å; I39-F95 HydrophobicContact CG1-CG 3.89Å; I39-F95 HydrophobicContact CG1-CZ 3.87Å; I39-A397 CarbonylContact C-O 3.59Å; I39-A397 WeakPolarHBondContact CA-O 3.24Å; I39-A397 WeakPolarHBondContact CG2-O 3.08Å; I39-F400 HydrophobicContact CD1-CE1 4.26Å; I39-F400 HydrophobicContact CD1-CZ 4.42Å; I39-F400 HydrophobicContact CG2-CE1 4.48Å; I39-F400 HydrophobicContact CG2-CE2 4.35Å; I39-F400 HydrophobicContact CG2-CZ 4.11Å
40	K	98.1	Very high	95.8	Very high	119 Å²	119	61.2 Å²	61.2	52%	0.517	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.9	160.7	-64.8	-175.7	-179.4	-177.4	0	108.9	K49 E50 A397 D399	K40-K49 HydrophobicContact CB-CB 4.45Å; K40-E50 CarbonylContact C-O 3.54Å; K40-E50 WeakPolarHBondContact CA-O 3.29Å; K40-A397 PolarHBondContact N-O 2.9Å; K40-D399 WeakPolarHBondContact O-CA 3.45Å; K40-D399 WeakPolarHBondContact O-CB 3.38Å; K40-D399 PolarHBondContact O-N 3Å
41	T	97.7	Very high	96.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.1	177.7	-168.5	0	0	0	0	110.7	N43 K49 E50 L52 Y288 L290	T41-N43 PolarHBondContact O-N 3.26Å; T41-K49 CarbonylContact O-C 3.58Å; T41-K49 WeakPolarHBondContact O-CA 3.37Å; T41-E50 PolarHBondContact N-O 3.41Å; T41-E50 PolarHBondContact O-N 2.9Å; T41-L52 HydrophobicContact CG2-CB 4.2Å; T41-L52 HydrophobicContact CG2-CD1 4.23Å; T41-Y288 HydrophobicContact CG2-CD1 3.75Å; T41-Y288 HydrophobicContact CG2-CE1 4.27Å; T41-Y288 HydrophobicContact CG2-CG 4.31Å; T41-L290 HydrophobicContact CG2-CD2 4.25Å; T41-L290 WeakPolarHBondContact OG1-CD2 3.24Å
42	F	98.1	Very high	96.3	Very high	47 Å²	47	54 Å²	54	21%	0.206	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	112.3	173.7	-177.2	-91.6	0	0	0	110.3	K47 Q48 K49 L290 Y335 D399	F42-K47 VanDerWaalsContact CE2-O 3.3Å; F42-K47 WeakPolarHBondContact CE2-O 3.49Å; F42-K47 HydrophobicContact CZ-CB 4.3Å; F42-Q48 WeakPolarHBondContact CA-O 3.41Å; F42-K49 HydrophobicContact CB-CG 4.46Å; F42-L290 WeakPolarHBondContact O-CD2 3.47Å; F42-Y335 PolarHBondContact O-OH 3.24Å; F42-D399 VanDerWaalsContact CB-OD1 3.24Å; F42-D399 WeakPolarHBondContact CB-OD1 3.1Å; F42-D399 PolarHBondContact N-OD1 2.97Å
43	N	97.3	Very high	96.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.8	176.3	-170.2	-2.9	0	0	0	109.8	W29 T41 L45 T46 K47 Q48 E50 N287 Y288 F289	W29-N43 PolarHBondContact NE1-ND2 3.48Å; T41-N43 PolarHBondContact O-N 3.26Å; N43-L45 PolarHBondContact O-N 2.69Å; N43-L45 PolarHBondContact OD1-N 3.24Å; N43-T46 PolarHBondContact O-N 3.36Å; N43-K47 WeakPolarHBondContact O-CA 3.49Å; N43-K47 PolarHBondContact O-N 3.46Å; N43-Q48 PolarHBondContact N-O 3.32Å; N43-E50 HydrophobicContact CB-CG 3.93Å; N43-N287 PolarHBondContact ND2-O 3.04Å; N43-Y288 HydrophobicContact CB-CD1 4.36Å; N43-F289 PolarHBondContact OD1-N 3.05Å
44	S	95.2	Very high	96.7	Very high	13 Å²	13	45 Å²	45	9%	0.091	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.8	-178.5	-53.6	0	0	0	0	113.2	F289 H291	S44-F289 VanDerWaalsContact CB-O 3.27Å; S44-F289 WeakPolarHBondContact CB-O 3.44Å; S44-F289 PolarHBondContact N-O 2.86Å; S44-F289 PolarHBondContact OG-O 3.49Å; S44-H291 WeakPolarHBondContact CB-ND1 3.31Å; S44-H291 PolarHBondContact OG-ND1 2.77Å
45	L	91.9	Very high	96.7	Very high	29 Å²	29	44.5 Å²	44.5	15%	0.152	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-47.3	172.7	-70.9	176.3	0	0	0	112.1	N43 K193 F194 I273 F289	N43-L45 PolarHBondContact O-N 2.69Å; N43-L45 PolarHBondContact OD1-N 3.24Å; L45-K193 HydrophobicContact CD2-CB 3.96Å; L45-F194 HydrophobicContact CD2-CD1 4.18Å; L45-F194 HydrophobicContact CD2-CE1 3.54Å; L45-F194 HydrophobicContact CD2-CE2 4.07Å; L45-F194 HydrophobicContact CD2-CZ 3.48Å; L45-F194 VanDerWaalsContact CD2-CZ 3.48Å; L45-F194 HydrophobicContact CG-CE1 4Å; L45-F194 HydrophobicContact CG-CZ 4.14Å; L45-I273 HydrophobicContact CD2-CD1 3.72Å; L45-F289 HydrophobicContact CD1-CD2 3.36Å; L45-F289 HydrophobicContact CD1-CE2 3.64Å; L45-F289 HydrophobicContact CD1-CG 4.47Å; L45-F289 HydrophobicContact CD2-CD2 4.08Å; L45-F289 HydrophobicContact CD2-CE2 4.34Å; L45-F289 HydrophobicContact CG-CB 4.39Å; L45-F289 HydrophobicContact CG-CD2 3.52Å; L45-F289 HydrophobicContact CG-CE2 4.12Å; L45-F289 HydrophobicContact CG-CG 4.22Å
46	T	93.5	Very high	96.6	Very high	35 Å²	35	49.6 Å²	49.6	22%	0.215	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-16.2	-176.9	69.4	0	0	0	0	112.8	W29 N43 Q48 E50	W29-T46 HydrophobicContact CB-CG2 3.44Å; W29-T46 VanDerWaalsContact CB-CG2 3.44Å; W29-T46 HydrophobicContact CD2-CG2 3.63Å; W29-T46 HydrophobicContact CE3-CG2 3.82Å; W29-T46 HydrophobicContact CG-CG2 3.47Å; W29-T46 VanDerWaalsContact CG-CG2 3.47Å; N43-T46 PolarHBondContact O-N 3.36Å; T46-Q48 PolarHBondContact O-N 2.73Å; T46-Q48 PolarHBondContact OG1-N 2.85Å; T46-E50 VanDerWaalsContact CB-OE1 3.3Å; T46-E50 WeakPolarHBondContact CB-OE1 3.4Å; T46-E50 HydrophobicContact CG2-CG 4.34Å; T46-E50 WeakPolarHBondContact CG2-OE1 3.17Å; T46-E50 PolarHBondContact OG1-OE1 2.95Å
47	K	93.4	Very high	96.5	Very high	126 Å²	126	52.9 Å²	52.9	55%	0.548	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	28.4	-172.2	-56.2	176.9	-178.8	174.8	0	112.2	F42 N43 F194	F42-K47 VanDerWaalsContact CE2-O 3.3Å; F42-K47 WeakPolarHBondContact CE2-O 3.49Å; F42-K47 HydrophobicContact CZ-CB 4.3Å; N43-K47 WeakPolarHBondContact O-CA 3.49Å; N43-K47 PolarHBondContact O-N 3.46Å; K47-F194 WeakPolarHBondContact CE-O 3.35Å; K47-F194 PolarHBondContact NZ-O 2.87Å
48	Q	95.7	Very high	96.4	Very high	129 Å²	129	53 Å²	53	60%	0.603	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	166.7	-179.7	-63.1	-171.5	14.1	0	0	110.7	F42 N43 T46	F42-Q48 WeakPolarHBondContact CA-O 3.41Å; N43-Q48 PolarHBondContact N-O 3.32Å; T46-Q48 PolarHBondContact O-N 2.73Å; T46-Q48 PolarHBondContact OG1-N 2.85Å
49	K	97.9	Very high	96.5	Very high	74 Å²	74	52.2 Å²	52.2	32%	0.322	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	116.3	172.6	-67.7	-177.5	178	-168.2	0	109.2	K40 T41 F42 D398 D399	K40-K49 HydrophobicContact CB-CB 4.45Å; T41-K49 CarbonylContact O-C 3.58Å; T41-K49 WeakPolarHBondContact O-CA 3.37Å; F42-K49 HydrophobicContact CB-CG 4.46Å; K49-D398 VanDerWaalsContact NZ-CG 3.25Å; K49-D398 IonicContact NZ-OD1 3.38Å; K49-D398 PolarHBondContact NZ-OD1 3.14Å; K49-D398 IonicContact NZ-OD2 2.73Å; K49-D398 PolarHBondContact NZ-OD2 3.01Å; K49-D399 HydrophobicContact CD-CB 3.96Å; K49-D399 VanDerWaalsContact CE-OD2 3.26Å; K49-D399 WeakPolarHBondContact CE-OD2 3.27Å; K49-D399 HydrophobicContact CG-CB 4.26Å; K49-D399 IonicContact NZ-OD2 3.79Å
50	E	98.1	Very high	96.5	Very high	37 Å²	37	52.2 Å²	52.2	17%	0.173	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	152	177.2	-56.9	-59.5	163.2	0	0	110	W29 K40 T41 N43 T46 L52 Y288	W29-E50 HydrophobicContact CE3-CG 4.43Å; W29-E50 HydrophobicContact CH2-CB 3.8Å; W29-E50 HydrophobicContact CH2-CG 3.72Å; W29-E50 HydrophobicContact CZ2-CB 4.31Å; W29-E50 HydrophobicContact CZ2-CG 4.17Å; W29-E50 HydrophobicContact CZ3-CB 4.34Å; W29-E50 VanDerWaalsContact CZ3-CD 3.5Å; W29-E50 HydrophobicContact CZ3-CG 3.86Å; W29-E50 WeakPolarHBondContact CZ3-OE2 3.45Å; K40-E50 CarbonylContact C-O 3.54Å; K40-E50 WeakPolarHBondContact CA-O 3.29Å; T41-E50 PolarHBondContact N-O 3.41Å; T41-E50 PolarHBondContact O-N 2.9Å; N43-E50 HydrophobicContact CB-CG 3.93Å; T46-E50 VanDerWaalsContact CB-OE1 3.3Å; T46-E50 WeakPolarHBondContact CB-OE1 3.4Å; T46-E50 HydrophobicContact CG2-CG 4.34Å; T46-E50 WeakPolarHBondContact CG2-OE1 3.17Å; T46-E50 PolarHBondContact OG1-OE1 2.95Å; E50-L52 PolarHBondContact O-N 3.46Å; E50-Y288 HydrophobicContact CB-CE1 3.97Å
51	A	98.1	Very high	96.5	Very high	33 Å²	33	47.4 Å²	47.4	27%	0.273	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	134.3	165.8	0	0	0	0	0	109.4	I53 Y288	A51-I53 HydrophobicContact CB-CD1 4.41Å; A51-I53 HydrophobicContact CB-CG1 4.21Å; A51-I53 PolarHBondContact O-N 3.01Å; A51-Y288 WeakPolarHBondContact O-CE1 3.22Å; A51-Y288 VanDerWaalsContact O-CZ 3.3Å; A51-Y288 PolarHBondContact O-OH 3.25Å
52	L	98.4	Very high	96.5	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	97.7	176.6	177.5	65.2	0	0	0	108.7	T37 I39 T41 E50 L54 L91 I257 Y288	T37-L52 HydrophobicContact CG2-CD2 4.35Å; T37-L52 HydrophobicContact CG2-CG 4.25Å; T37-L52 WeakPolarHBondContact CG2-O 3.31Å; T37-L52 PolarHBondContact N-O 2.87Å; T37-L52 VanDerWaalsContact N-O 3.12Å; T37-L52 WeakPolarHBondContact OG1-CB 3.45Å; T37-L52 PolarHBondContact OG1-O 3.35Å; I39-L52 HydrophobicContact CB-CB 4.23Å; I39-L52 HydrophobicContact CB-CD2 4.38Å; I39-L52 HydrophobicContact CD1-CD2 4.41Å; I39-L52 HydrophobicContact CG2-CB 4.47Å; I39-L52 HydrophobicContact CG2-CD2 4.42Å; I39-L52 PolarHBondContact O-N 3.19Å; T41-L52 HydrophobicContact CG2-CB 4.2Å; T41-L52 HydrophobicContact CG2-CD1 4.23Å; E50-L52 PolarHBondContact O-N 3.46Å; L52-L54 HydrophobicContact CD1-CD2 4.2Å; L52-L54 HydrophobicContact CG-CD2 4.24Å; L52-L91 HydrophobicContact CD2-CD2 3.81Å; L52-I257 HydrophobicContact CD1-CD1 4.22Å; L52-I257 HydrophobicContact CD1-CG1 4.29Å; L52-Y288 HydrophobicContact CD1-CD1 4.42Å; L52-Y288 HydrophobicContact CD1-CD2 3.61Å; L52-Y288 HydrophobicContact CD1-CE1 4.47Å; L52-Y288 HydrophobicContact CD1-CE2 3.72Å; L52-Y288 HydrophobicContact CD1-CG 4.02Å
53	I	98.2	Very high	96.6	Very high	23 Å²	23	45.2 Å²	45.2	12%	0.118	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119	-178.7	-58.2	172.8	0	0	0	107.9	T31 P32 F35 A51 Y288	T31-I53 HydrophobicContact CG2-CD1 3.81Å; P32-I53 HydrophobicContact CB-CB 4.32Å; P32-I53 HydrophobicContact CB-CG2 4.34Å; F35-I53 CarbonylContact O-C 3.57Å; F35-I53 VanDerWaalsContact O-CA 3.31Å; F35-I53 WeakPolarHBondContact O-CA 3.42Å; A51-I53 HydrophobicContact CB-CD1 4.41Å; A51-I53 HydrophobicContact CB-CG1 4.21Å; A51-I53 PolarHBondContact O-N 3.01Å; I53-Y288 PolarHBondContact N-OH 3.48Å; I53-Y288 WeakPolarHBondContact O-CE2 3.5Å
54	L	97.9	Very high	96.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	141	-178.5	-55	178.2	0	0	0	110.6	G34 F35 T37 L52 R56 A60 V97 D256	G34-L54 CarbonylContact C-O 3.59Å; G34-L54 VanDerWaalsContact CA-O 3.32Å; G34-L54 WeakPolarHBondContact CA-O 3.41Å; F35-L54 HydrophobicContact CD1-CD1 4.35Å; F35-L54 PolarHBondContact N-O 2.77Å; F35-L54 PolarHBondContact O-N 3.3Å; T37-L54 HydrophobicContact CG2-CD1 3.53Å; T37-L54 HydrophobicContact CG2-CD2 4.35Å; T37-L54 HydrophobicContact CG2-CG 3.61Å; L52-L54 HydrophobicContact CD1-CD2 4.2Å; L52-L54 HydrophobicContact CG-CD2 4.24Å; L54-R56 WeakPolarHBondContact CB-O 3.47Å; L54-R56 PolarHBondContact O-N 2.97Å; L54-A60 HydrophobicContact CD1-CB 4.05Å; L54-A60 HydrophobicContact CD2-CB 3.69Å; L54-A60 HydrophobicContact CG-CB 4.5Å; L54-V97 HydrophobicContact CD1-CB 4.46Å; L54-V97 HydrophobicContact CD1-CG1 3.61Å; L54-V97 HydrophobicContact CD1-CG2 3.96Å; L54-D256 HydrophobicContact CD2-CB 4.16Å
55	A	95.4	Very high	96.6	Very high	42 Å²	42	45 Å²	45	35%	0.347	23%	0.226	S	C	.	.	S	Bend	trans	-61.9	-30.3	177.1	0	0	0	0	0	112.8	D256	A55-D256 PolarHBondContact N-OD1 3.42Å
56	R	95.2	Very high	96.7	Very high	174 Å²	174	44.3 Å²	44.3	66%	0.657	23%	0.225	S	C	*	.	B	Isolated β-bridge	trans	-119.4	138.7	177.7	-64.4	-179.1	-169.9	-98.4	0.1	110.5	L54 G58 T59	L54-R56 WeakPolarHBondContact CB-O 3.47Å; L54-R56 PolarHBondContact O-N 2.97Å; R56-G58 PolarHBondContact O-N 3.39Å; R56-T59 PolarHBondContact O-N 3.32Å
57	E	95.6	Very high	96.8	Very high	161 Å²	161	43.4 Å²	43.4	75%	0.752	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	125.4	179	-175.5	169.1	-166	0	0	111.4	F35 T59	F35-E57 HydrophobicContact CB-CB 4.29Å; F35-E57 HydrophobicContact CB-CG 4.46Å; F35-E57 HydrophobicContact CD2-CB 4.43Å; F35-E57 HydrophobicContact CD2-CG 3.71Å; F35-E57 HydrophobicContact CE2-CG 4.13Å; F35-E57 HydrophobicContact CG-CB 4.45Å; F35-E57 HydrophobicContact CG-CG 4.14Å; E57-T59 PolarHBondContact O-N 2.91Å; E57-T59 PolarHBondContact O-OG1 3.46Å
58	G	94.4	Very high	96.9	Very high	16 Å²	16	38.8 Å²	38.8	17%	0.165	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	12.5	179.2	0	0	0	0	0	115.9	R56 V97 T98	R56-G58 PolarHBondContact O-N 3.39Å; G58-V97 CarbonylContact O-C 3.6Å; G58-V97 WeakPolarHBondContact O-CA 3.37Å; G58-T98 PolarHBondContact O-N 3.1Å
59	T	97.8	Very high	97	Very high	36 Å²	36	32.8 Å²	32.8	22%	0.221	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.7	-177.4	-54.9	0	0	0	0	111.5	R56 E57 T98 I100	R56-T59 PolarHBondContact O-N 3.32Å; E57-T59 PolarHBondContact O-N 2.91Å; E57-T59 PolarHBondContact O-OG1 3.46Å; T59-T98 CarbonylContact C-O 3.59Å; T59-T98 VanDerWaalsContact CA-O 3.28Å; T59-T98 WeakPolarHBondContact CA-O 3.49Å; T59-I100 HydrophobicContact CG2-CD1 3.77Å; T59-I100 HydrophobicContact CG2-CG1 4.11Å
60	A	98.2	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.5	176	0	0	0	0	0	111.2	L54 V97 T98 V99 I100 I257	L54-A60 HydrophobicContact CD1-CB 4.05Å; L54-A60 HydrophobicContact CD2-CB 3.69Å; L54-A60 HydrophobicContact CG-CB 4.5Å; A60-V97 HydrophobicContact CB-CG1 3.72Å; A60-T98 PolarHBondContact N-O 2.89Å; A60-V99 HydrophobicContact CB-CG2 4.44Å; A60-I100 PolarHBondContact O-N 2.87Å; A60-I257 HydrophobicContact CB-CD1 4.44Å
61	T	98.5	Very high	96.6	Very high	18 Å²	18	30.6 Å²	30.6	11%	0.11	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	123.7	163.3	56.3	0	0	0	0	109.4	F251 D256 I257	T61-F251 HydrophobicContact CG2-CD1 3.58Å; T61-F251 HydrophobicContact CG2-CE1 3.91Å; T61-F251 HydrophobicContact CG2-CG 4.35Å; T61-D256 PolarHBondContact N-OD2 3.38Å; T61-D256 WeakPolarHBondContact O-CB 3.15Å; T61-D256 PolarHBondContact O-N 3.43Å; T61-D256 PolarHBondContact OG1-N 3.1Å; T61-D256 PolarHBondContact OG1-OD2 2.77Å; T61-I257 PolarHBondContact O-N 2.97Å
62	W	98.6	Very high	96.3	Very high	1 Å²	1	32 Å²	32	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	122.4	-176.9	-166.3	-37.5	0	0	0	109.8	F84 L87 Q88 L91 V99 I100 H101 A102 I257 S259 L290	W62-F84 HydrophobicContact CZ2-CB 4.24Å; W62-F84 AromaticContact CZ2-CD1 3.97Å; W62-F84 HydrophobicContact CZ2-CD1 3.97Å; W62-F84 HydrophobicContact CZ2-CG 4.4Å; W62-L87 HydrophobicContact CH2-CB 3.92Å; W62-Q88 HydrophobicContact CZ3-CB 4.18Å; W62-L91 HydrophobicContact CE3-CD1 4.16Å; W62-L91 HydrophobicContact CZ3-CD1 3.67Å; W62-V99 HydrophobicContact CB-CG1 3.82Å; W62-V99 HydrophobicContact CD2-CG1 4.39Å; W62-V99 HydrophobicContact CE3-CG1 3.86Å; W62-V99 HydrophobicContact CG-CG1 4.43Å; W62-I100 PolarHBondContact N-O 2.87Å; W62-H101 AromaticContact CD1-CD2 3.87Å; W62-H101 CarbonylContact O-C 3.43Å; W62-H101 VanDerWaalsContact O-CA 3.28Å; W62-H101 WeakPolarHBondContact O-CA 3.46Å; W62-H101 PolarHBondContact O-CD2 3.3Å; W62-A102 PolarHBondContact O-N 3.26Å; W62-I257 CarbonylContact C-O 3.56Å; W62-I257 WeakPolarHBondContact CA-O 2.98Å; W62-I257 HydrophobicContact CB-CB 4.37Å; W62-I257 HydrophobicContact CD2-CB 4.02Å; W62-I257 HydrophobicContact CD2-CD1 4.27Å; W62-I257 HydrophobicContact CD2-CG2 3.68Å; W62-I257 HydrophobicContact CE3-CB 4.43Å; W62-I257 HydrophobicContact CE3-CD1 3.8Å; W62-I257 HydrophobicContact CE3-CG2 4.21Å; W62-I257 HydrophobicContact CG-CB 3.99Å; W62-I257 HydrophobicContact CG-CG2 3.98Å; W62-I257 HydrophobicContact CZ2-CG2 4.03Å; W62-I257 HydrophobicContact CZ3-CD1 4.15Å; W62-S259 PolarHBondContact NE1-OG 3.29Å; W62-L290 HydrophobicContact CH2-CD1 4.39Å; W62-L290 HydrophobicContact CZ2-CD1 4.38Å
63	Y	98.6	Very high	96	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.9	169.1	-178.7	-94.5	0	0	0	111.6	A102 V104 C243 V246 A247 I257 H258 S259	Y63-A102 WeakPolarHBondContact CA-O 3.37Å; Y63-A102 HydrophobicContact CD2-CB 4.31Å; Y63-V104 VanDerWaalsContact OH-CB 3.23Å; Y63-V104 WeakPolarHBondContact OH-CB 3.43Å; Y63-V104 WeakPolarHBondContact OH-CG1 3.49Å; Y63-C243 HydrophobicContact CE1-CB 4.11Å; Y63-C243 VanDerWaalsContact OH-CA 3.24Å; Y63-C243 WeakPolarHBondContact OH-CA 3.34Å; Y63-C243 WeakPolarHBondContact OH-CB 3.32Å; Y63-V246 HydrophobicContact CE2-CG1 4Å; Y63-A247 HydrophobicContact CD1-CB 3.9Å; Y63-A247 HydrophobicContact CD2-CB 3.65Å; Y63-A247 HydrophobicContact CE1-CB 4.09Å; Y63-A247 HydrophobicContact CE2-CB 3.87Å; Y63-A247 HydrophobicContact CG-CB 3.65Å; Y63-I257 PolarHBondContact N-O 3.5Å; Y63-H258 AromaticContact CD1-CD2 3.67Å; Y63-H258 AromaticContact CD1-CE1 3.88Å; Y63-H258 AromaticContact CD1-NE2 3.27Å; Y63-H258 VanDerWaalsContact CD1-NE2 3.27Å; Y63-H258 WeakPolarHBondContact CD1-NE2 3.25Å; Y63-H258 AromaticContact CE1-NE2 3.59Å; Y63-H258 CarbonylContact O-C 3.36Å; Y63-H258 WeakPolarHBondContact O-CA 3.28Å; Y63-S259 PolarHBondContact O-N 3.07Å
64	S	96.9	Very high	95.7	Very high	5 Å²	5	31.6 Å²	31.6	4%	0.035	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.4	172.9	65.4	0	0	0	0	111.6	G66 H101 A102 M103 S259	S64-G66 PolarHBondContact O-N 2.88Å; S64-H101 WeakPolarHBondContact CB-NE2 3.42Å; S64-H101 PolarHBondContact OG-NE2 2.98Å; S64-A102 PolarHBondContact N-O 3.43Å; S64-M103 WeakPolarHBondContact O-CA 3.48Å; S64-M103 VanDerWaalsContact OG-CE 3.23Å; S64-M103 WeakPolarHBondContact OG-CE 3.44Å; S64-S259 WeakPolarHBondContact CA-O 3.45Å; S64-S259 VanDerWaalsContact CB-OG 3.3Å; S64-S259 WeakPolarHBondContact CB-OG 3.38Å
65	C	95.8	Very high	95.4	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.034	16%	0.164	C	C	.	.			trans	-65.2	126.1	167.9	-56.6	0	0	0	0	109.5	H258 S259 L264 H268 H269	C65-H258 VanDerWaalsContact SG-CE1 3.57Å; C65-S259 PolarHBondContact N-O 3.36Å; C65-L264 HydrophobicContact CB-CD1 3.65Å; C65-H268 PolarHBondContact SG-NE2 2.91Å; C65-H269 PolarHBondContact SG-NE2 3.46Å
66	G	94.7	Very high	95.2	Very high	14 Å²	14	30.5 Å²	30.5	14%	0.144	16%	0.157	C	C	.	.			trans	-94.6	-171.5	176.1	0	0	0	0	0	113	S64 Y81 V104	S64-G66 PolarHBondContact O-N 2.88Å; G66-Y81 WeakPolarHBondContact CA-OH 3.49Å; G66-V104 WeakPolarHBondContact CA-O 3.46Å; G66-V104 PolarHBondContact N-O 3.11Å
67	P	95.7	Very high	94.9	Very high	15 Å²	15	25.1 Å²	25.1	10%	0.097	14%	0.139	C	C	.	.			trans	-76.9	154.4	-174	32.7	-37.1	0	0	0	112.8	V69 Y81 I105 T106 F134	P67-V69 HydrophobicContact CB-CG1 4.39Å; P67-V69 HydrophobicContact CG-CG1 3.94Å; P67-Y81 WeakPolarHBondContact CD-OH 3.34Å; P67-I105 HydrophobicContact CG-CD1 4.04Å; P67-T106 PolarHBondContact O-N 2.78Å; P67-F134 HydrophobicContact CB-CD2 4.35Å; P67-F134 HydrophobicContact CB-CE2 4.41Å; P67-F134 HydrophobicContact CG-CD1 3.67Å; P67-F134 HydrophobicContact CG-CD2 3.91Å; P67-F134 HydrophobicContact CG-CE1 3.72Å; P67-F134 HydrophobicContact CG-CE2 3.97Å; P67-F134 HydrophobicContact CG-CG 3.75Å; P67-F134 HydrophobicContact CG-CZ 3.87Å
68	T	95.9	Very high	94.9	Very high	30 Å²	30	17.5 Å²	17.5	18%	0.184	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-83.4	114	154.4	-44.7	0	0	0	0	108.8	Y70 T106 D109 I112	T68-Y70 VanDerWaalsContact C-N 3.32Å; T68-Y70 HydrophobicContact CG2-CD1 3.89Å; T68-Y70 WeakPolarHBondContact O-CD1 3.46Å; T68-Y70 PolarHBondContact O-N 2.65Å; T68-T106 WeakPolarHBondContact CA-O 3.44Å; T68-T106 HydrophobicContact CG2-CG2 4.11Å; T68-D109 HydrophobicContact CG2-CB 3.73Å; T68-I112 HydrophobicContact CG2-CD1 4.06Å; T68-I112 HydrophobicContact CG2-CG1 4.16Å
69	V	96.2	Very high	94.9	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.012	10%	0.096	C	C	.	.			trans	-87.9	66.1	-169.8	-69.9	0	0	0	0	111.8	P67 I105 T106 D107 I112 S127 E131	P67-V69 HydrophobicContact CB-CG1 4.39Å; P67-V69 HydrophobicContact CG-CG1 3.94Å; V69-I105 HydrophobicContact CG1-CG2 3.79Å; V69-I105 HydrophobicContact CG2-CG2 3.87Å; V69-T106 WeakPolarHBondContact CG2-O 3.49Å; V69-T106 PolarHBondContact N-O 2.86Å; V69-D107 HydrophobicContact CG2-CB 4.05Å; V69-I112 HydrophobicContact CG2-CD1 4.25Å; V69-S127 WeakPolarHBondContact CG2-O 3.24Å; V69-S127 WeakPolarHBondContact O-CA 3.33Å; V69-E131 HydrophobicContact CB-CB 4.45Å; V69-E131 HydrophobicContact CG1-CB 4.01Å
70	Y	94.4	Very high	94.8	Very high	44 Å²	44	15.7 Å²	15.7	17%	0.173	9%	0.09	C	C	.	.	S	Bend	trans	-112.6	-10.4	178.6	75.7	-86.2	0	0	0	114.2	T68 K111 Y130 K306	T68-Y70 VanDerWaalsContact C-N 3.32Å; T68-Y70 HydrophobicContact CG2-CD1 3.89Å; T68-Y70 WeakPolarHBondContact O-CD1 3.46Å; T68-Y70 PolarHBondContact O-N 2.65Å; Y70-K111 HydrophobicContact CD1-CB 3.96Å; Y70-K111 HydrophobicContact CD1-CD 4.04Å; Y70-K111 HydrophobicContact CD2-CB 4.13Å; Y70-K111 HydrophobicContact CE1-CB 4.29Å; Y70-K111 HydrophobicContact CE1-CD 3.58Å; Y70-K111 HydrophobicContact CE2-CB 4.44Å; Y70-K111 HydrophobicContact CE2-CD 4.43Å; Y70-K111 HydrophobicContact CG-CB 3.87Å; Y70-Y130 VanDerWaalsContact O-CE2 3.31Å; Y70-Y130 WeakPolarHBondContact O-CE2 3.28Å; Y70-K306 HydrophobicContact CE1-CD 4.17Å; Y70-K306 HydrophobicContact CE2-CD 4.14Å; Y70-K306 WeakPolarHBondContact OH-CD 3.32Å
71	D	93.4	Very high	94.8	Very high	21 Å²	21	16.8 Å²	16.8	11%	0.112	9%	0.094	C	C	.	.	S	Bend	trans	-169.5	166.2	-174.4	173.6	33.7	0	0	0	109.2	Y130 K306 Y311	D71-Y130 VanDerWaalsContact C-CD1 3.42Å; D71-K306 HydrophobicContact CB-CD 4.34Å; D71-K306 VanDerWaalsContact CB-NZ 3.35Å; D71-K306 PolarHBondContact O-NZ 3.43Å; D71-K306 WeakPolarHBondContact OD2-CD 3.37Å; D71-K306 VanDerWaalsContact OD2-CE 3.27Å; D71-K306 WeakPolarHBondContact OD2-CE 3.48Å; D71-K306 IonicContact OD2-NZ 4Å; D71-Y311 PolarHBondContact OD2-OH 2.91Å
72	H	92.6	Very high	94.8	Very high	62 Å²	62	16 Å²	16	29%	0.287	9%	0.089	S	C	.	.			trans	-51.2	146.3	-177.5	-58.7	-71.5	0	0	0	113.9	Y130 E133 K306 T313	H72-Y130 AromaticContact CE1-CE1 3.8Å; H72-Y130 AromaticContact ND1-CE1 3.89Å; H72-Y130 AromaticContact NE2-CE1 3.97Å; H72-E133 IonicContact CE1-OE1 3.15Å; H72-E133 PolarHBondContact CE1-OE1 3.04Å; H72-E133 VanDerWaalsContact CE1-OE1 3.23Å; H72-E133 IonicContact CE1-OE2 2.72Å; H72-E133 PolarHBondContact CE1-OE2 3.19Å; H72-E133 IonicContact CG-OE1 2.64Å; H72-E133 IonicContact ND1-OE1 3.04Å; H72-E133 PolarHBondContact ND1-OE1 3.5Å; H72-E133 IonicContact ND1-OE2 3.03Å; H72-E133 PolarHBondContact ND1-OE2 3.21Å; H72-K306 WeakPolarHBondContact O-CE 3.19Å; H72-K306 PolarHBondContact O-NZ 3.28Å; H72-T313 HydrophobicContact CB-CG2 4Å
73	A	92.9	Very high	94.8	Very high	8 Å²	8	16.1 Å²	16.1	7%	0.066	9%	0.089	C	C	.	.			trans	-71.9	150.5	170.1	0	0	0	0	0	110.9	F134 T313 I314	A73-F134 HydrophobicContact CB-CD2 4.16Å; A73-T313 WeakPolarHBondContact O-CA 3.2Å; A73-I314 HydrophobicContact CB-CD1 3.73Å; A73-I314 PolarHBondContact O-N 3.44Å
74	H	91.3	Very high	94.8	Very high	9 Å²	9	16.7 Å²	16.7	4%	0.042	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-126.3	168.7	-178.3	60.7	61.8	0	0	0	111.8	G76 H77 A78 M304 Y311 I312	H74-G76 WeakPolarHBondContact ND1-CA 3.47Å; H74-G76 PolarHBondContact ND1-N 3.02Å; H74-G76 VanDerWaalsContact ND1-N 3.15Å; H74-G76 PolarHBondContact O-N 3.29Å; H74-G76 VanDerWaalsContact O-N 3.09Å; H74-H77 AromaticContact CD2-CE1 3.65Å; H74-H77 AromaticContact CD2-ND1 3.72Å; H74-H77 AromaticContact CE1-CD2 3.85Å; H74-H77 AromaticContact CE1-CE1 3.6Å; H74-H77 AromaticContact CE1-CG 3.8Å; H74-H77 AromaticContact CE1-ND1 3.67Å; H74-H77 AromaticContact CE1-NE2 3.72Å; H74-H77 AromaticContact CG-ND1 3.87Å; H74-H77 AromaticContact ND1-CG 3.99Å; H74-H77 PolarHBondContact ND1-N 3.39Å; H74-H77 AromaticContact ND1-ND1 3.84Å; H74-H77 AromaticContact NE2-CE1 3.22Å; H74-H77 PolarHBondContact NE2-CE1 3.06Å; H74-H77 AromaticContact NE2-ND1 3.61Å; H74-H77 AromaticContact NE2-NE2 3.61Å; H74-H77 WeakPolarHBondContact O-CA 3.36Å; H74-H77 WeakPolarHBondContact O-CB 3.36Å; H74-H77 PolarHBondContact O-N 3.12Å; H74-A78 PolarHBondContact O-N 3.35Å; H74-M304 HydrophobicContact CB-SD 4.42Å; H74-Y311 HydrophobicContact CB-CD2 3.72Å; H74-Y311 HydrophobicContact CB-CG 4.15Å; H74-I312 CarbonylContact C-O 3.59Å; H74-I312 VanDerWaalsContact CA-O 3.25Å; H74-I312 WeakPolarHBondContact CA-O 3.28Å; H74-I312 VanDerWaalsContact CB-O 3.31Å; H74-I312 WeakPolarHBondContact CB-O 3.47Å
75	L	91.6	Very high	94.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-56.1	-32.2	-175.4	-67.4	-178.3	0	0	0	114.4	A78 C79 L295 M304 I312 F317 F326 Y341	L75-A78 HydrophobicContact CD2-CB 4.43Å; L75-A78 WeakPolarHBondContact O-CB 3.27Å; L75-A78 PolarHBondContact O-N 3.17Å; L75-C79 VanDerWaalsContact O-CB 3.31Å; L75-C79 WeakPolarHBondContact O-CB 3.19Å; L75-C79 PolarHBondContact O-N 3.46Å; L75-L295 VanDerWaalsContact C-CD2 3.41Å; L75-L295 HydrophobicContact CB-CD2 3.5Å; L75-M304 HydrophobicContact CB-CE 4.26Å; L75-M304 HydrophobicContact CB-SD 3.77Å; L75-I312 HydrophobicContact CD1-CB 3.86Å; L75-I312 HydrophobicContact CD1-CD1 4.19Å; L75-I312 HydrophobicContact CD1-CG2 4.07Å; L75-I312 HydrophobicContact CG-CB 4.16Å; L75-I312 HydrophobicContact CG-CG2 4.42Å; L75-I312 PolarHBondContact N-O 3.23Å; L75-F317 HydrophobicContact CD1-CB 4.16Å; L75-F317 HydrophobicContact CD1-CD2 3.63Å; L75-F317 HydrophobicContact CD1-CE2 4.32Å; L75-F317 HydrophobicContact CD1-CG 4.06Å; L75-F317 HydrophobicContact CD2-CB 3.75Å; L75-F317 HydrophobicContact CD2-CD1 3.96Å; L75-F317 HydrophobicContact CD2-CD2 3.93Å; L75-F317 HydrophobicContact CD2-CG 3.59Å; L75-F317 HydrophobicContact CG-CB 4.23Å; L75-F317 HydrophobicContact CG-CD2 4.37Å; L75-F317 HydrophobicContact CG-CG 4.33Å; L75-F326 HydrophobicContact CD2-CD2 4.39Å; L75-F326 HydrophobicContact CD2-CE2 3.87Å; L75-F326 HydrophobicContact CD2-CZ 4.15Å; L75-Y341 HydrophobicContact CD1-CD2 4.16Å; L75-Y341 HydrophobicContact CD1-CE2 3.83Å
76	G	90	Very high	95	Very high	19 Å²	19	16.5 Å²	16.5	20%	0.196	9%	0.09	C	C	.	.	H	α-helix	trans	-57.6	-45.9	171.3	0	0	0	0	0	113.7	H74 S80	H74-G76 WeakPolarHBondContact ND1-CA 3.47Å; H74-G76 PolarHBondContact ND1-N 3.02Å; H74-G76 VanDerWaalsContact ND1-N 3.15Å; H74-G76 PolarHBondContact O-N 3.29Å; H74-G76 VanDerWaalsContact O-N 3.09Å; G76-S80 PolarHBondContact O-N 3.11Å
77	H	90.4	Very high	95.2	Very high	62 Å²	62	16 Å²	16	29%	0.287	8%	0.084	S	C	.	.	H	α-helix	trans	-66.4	-47	173.7	-62.2	142.1	0	0	0	110.8	H74 C79 S80 Y81	H74-H77 AromaticContact CD2-CE1 3.65Å; H74-H77 AromaticContact CD2-ND1 3.72Å; H74-H77 AromaticContact CE1-CD2 3.85Å; H74-H77 AromaticContact CE1-CE1 3.6Å; H74-H77 AromaticContact CE1-CG 3.8Å; H74-H77 AromaticContact CE1-ND1 3.67Å; H74-H77 AromaticContact CE1-NE2 3.72Å; H74-H77 AromaticContact CG-ND1 3.87Å; H74-H77 AromaticContact ND1-CG 3.99Å; H74-H77 PolarHBondContact ND1-N 3.39Å; H74-H77 AromaticContact ND1-ND1 3.84Å; H74-H77 AromaticContact NE2-CE1 3.22Å; H74-H77 PolarHBondContact NE2-CE1 3.06Å; H74-H77 AromaticContact NE2-ND1 3.61Å; H74-H77 AromaticContact NE2-NE2 3.61Å; H74-H77 WeakPolarHBondContact O-CA 3.36Å; H74-H77 WeakPolarHBondContact O-CB 3.36Å; H74-H77 PolarHBondContact O-N 3.12Å; H77-C79 VanDerWaalsContact C-N 3.28Å; H77-C79 PolarHBondContact O-N 3.08Å; H77-S80 WeakPolarHBondContact O-CB 3.36Å; H77-S80 PolarHBondContact O-N 3.08Å; H77-S80 VanDerWaalsContact O-N 3.14Å; H77-Y81 HydrophobicContact CB-CD2 4.26Å; H77-Y81 HydrophobicContact CB-CE2 3.98Å; H77-Y81 WeakPolarHBondContact O-CD2 3.47Å; H77-Y81 PolarHBondContact O-N 3.07Å
78	A	94.4	Very high	95.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-53.1	-46.3	178.9	0	0	0	0	0	112.1	H74 L75 S80 Y81 V82 L141 I314 F326	H74-A78 PolarHBondContact O-N 3.35Å; L75-A78 HydrophobicContact CD2-CB 4.43Å; L75-A78 WeakPolarHBondContact O-CB 3.27Å; L75-A78 PolarHBondContact O-N 3.17Å; A78-S80 VanDerWaalsContact C-N 3.34Å; A78-S80 PolarHBondContact O-N 3.35Å; A78-Y81 PolarHBondContact O-N 3.4Å; A78-V82 VanDerWaalsContact O-CB 3.26Å; A78-V82 WeakPolarHBondContact O-CB 3.32Å; A78-V82 VanDerWaalsContact O-CG2 3.26Å; A78-V82 WeakPolarHBondContact O-CG2 3.48Å; A78-V82 PolarHBondContact O-N 3.34Å; A78-L141 HydrophobicContact CB-CD1 3.56Å; A78-I314 HydrophobicContact CB-CD1 3.77Å; A78-I314 HydrophobicContact CB-CG1 3.87Å; A78-F326 HydrophobicContact CB-CE1 3.67Å; A78-F326 HydrophobicContact CB-CZ 3.77Å
79	C	95.4	Very high	95.4	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	8%	0.081	C	C	.	.	H	α-helix	trans	-62.4	-41.4	-178.6	-170.3	0	0	0	0	111.6	L75 H77 R83 F326	L75-C79 VanDerWaalsContact O-CB 3.31Å; L75-C79 WeakPolarHBondContact O-CB 3.19Å; L75-C79 PolarHBondContact O-N 3.46Å; H77-C79 VanDerWaalsContact C-N 3.28Å; H77-C79 PolarHBondContact O-N 3.08Å; C79-R83 VanDerWaalsContact O-CB 3.27Å; C79-R83 WeakPolarHBondContact O-CB 3.41Å; C79-R83 WeakPolarHBondContact O-CD 3.22Å; C79-R83 WeakPolarHBondContact O-CG 3.36Å; C79-R83 PolarHBondContact O-N 2.96Å; C79-F326 HydrophobicContact CB-CZ 4.01Å
80	S	95.6	Very high	95.5	Very high	13 Å²	13	16.3 Å²	16.3	9%	0.091	8%	0.081	C	C	.	.	H	α-helix	trans	-60.4	-55.6	174.7	178.8	0	0	0	0	111.5	G76 H77 A78 V82 R83 F84 S292	G76-S80 PolarHBondContact O-N 3.11Å; H77-S80 WeakPolarHBondContact O-CB 3.36Å; H77-S80 PolarHBondContact O-N 3.08Å; H77-S80 VanDerWaalsContact O-N 3.14Å; A78-S80 VanDerWaalsContact C-N 3.34Å; A78-S80 PolarHBondContact O-N 3.35Å; S80-V82 PolarHBondContact O-N 3.35Å; S80-R83 PolarHBondContact O-N 3.01Å; S80-F84 WeakPolarHBondContact O-CD2 3.41Å; S80-F84 PolarHBondContact O-N 3.21Å; S80-F84 WeakPolarHBondContact OG-CE2 3.28Å; S80-S292 WeakPolarHBondContact CB-OG 3.09Å; S80-S292 PolarHBondContact OG-OG 3.08Å; S80-S292 VanDerWaalsContact OG-OG 3.11Å
81	Y	97.8	Very high	95.7	Very high	24 Å²	24	14.2 Å²	14.2	9%	0.094	7%	0.073	C	C	.	.	H	α-helix	trans	-65.9	-40.3	-176.5	-64.1	-59.7	0	0	0	112.9	G66 P67 H77 A78 R83 F84 D85 M103 F134 M138	G66-Y81 WeakPolarHBondContact CA-OH 3.49Å; P67-Y81 WeakPolarHBondContact CD-OH 3.34Å; H77-Y81 HydrophobicContact CB-CD2 4.26Å; H77-Y81 HydrophobicContact CB-CE2 3.98Å; H77-Y81 WeakPolarHBondContact O-CD2 3.47Å; H77-Y81 PolarHBondContact O-N 3.07Å; A78-Y81 PolarHBondContact O-N 3.4Å; Y81-R83 VanDerWaalsContact C-N 3.35Å; Y81-R83 PolarHBondContact O-N 3.18Å; Y81-F84 PolarHBondContact O-N 3.2Å; Y81-D85 WeakPolarHBondContact O-CB 3.3Å; Y81-D85 PolarHBondContact O-N 2.75Å; Y81-M103 HydrophobicContact CD1-CE 3.9Å; Y81-M103 HydrophobicContact CE1-CE 3.59Å; Y81-M103 HydrophobicContact CE1-SD 4.37Å; Y81-F134 AromaticContact CD2-CE2 3.85Å; Y81-F134 HydrophobicContact CD2-CE2 3.85Å; Y81-F134 HydrophobicContact CD2-CZ 4.15Å; Y81-F134 HydrophobicContact CE1-CZ 4.37Å; Y81-F134 AromaticContact CE2-CE2 3.44Å; Y81-F134 HydrophobicContact CE2-CE2 3.44Å; Y81-F134 VanDerWaalsContact CE2-CE2 3.44Å; Y81-F134 AromaticContact CE2-CZ 3.74Å; Y81-F134 HydrophobicContact CE2-CZ 3.74Å; Y81-F134 AromaticContact CZ-CZ 3.86Å; Y81-M138 VanDerWaalsContact CB-SD 3.59Å; Y81-M138 HydrophobicContact CD2-CE 4.25Å; Y81-M138 HydrophobicContact CD2-SD 3.63Å; Y81-M138 HydrophobicContact CG-SD 3.81Å
82	V	98.5	Very high	95.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.1	-41	175.3	166.9	0	0	0	0	111.4	A78 S80 D85 I86 L141 V143 F326 R327 C330	A78-V82 VanDerWaalsContact O-CB 3.26Å; A78-V82 WeakPolarHBondContact O-CB 3.32Å; A78-V82 VanDerWaalsContact O-CG2 3.26Å; A78-V82 WeakPolarHBondContact O-CG2 3.48Å; A78-V82 PolarHBondContact O-N 3.34Å; S80-V82 PolarHBondContact O-N 3.35Å; V82-D85 PolarHBondContact O-N 3.22Å; V82-I86 HydrophobicContact CG1-CD1 3.9Å; V82-I86 WeakPolarHBondContact O-CD1 3.36Å; V82-I86 VanDerWaalsContact O-CG1 3.26Å; V82-I86 WeakPolarHBondContact O-CG1 3.3Å; V82-I86 PolarHBondContact O-N 2.85Å; V82-L141 HydrophobicContact CG2-CB 4.02Å; V82-L141 HydrophobicContact CG2-CD1 4.2Å; V82-V143 HydrophobicContact CG2-CG2 3.74Å; V82-F326 HydrophobicContact CB-CE1 4.27Å; V82-F326 HydrophobicContact CG2-CD1 4.06Å; V82-F326 HydrophobicContact CG2-CE1 3.9Å; V82-R327 HydrophobicContact CG1-CB 4.47Å; V82-R327 HydrophobicContact CG1-CG 3.8Å; V82-C330 HydrophobicContact CG1-CB 4.06Å
83	R	98.1	Very high	96.1	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.015	9%	0.093	C	C	.	.	H	α-helix	trans	-63.7	-45	176.5	-79.2	168.6	164.9	-178.2	-5.2	111.7	C79 S80 Y81 I86 L87 G293 C330 T333 Y335 S337	C79-R83 VanDerWaalsContact O-CB 3.27Å; C79-R83 WeakPolarHBondContact O-CB 3.41Å; C79-R83 WeakPolarHBondContact O-CD 3.22Å; C79-R83 WeakPolarHBondContact O-CG 3.36Å; C79-R83 PolarHBondContact O-N 2.96Å; S80-R83 PolarHBondContact O-N 3.01Å; Y81-R83 VanDerWaalsContact C-N 3.35Å; Y81-R83 PolarHBondContact O-N 3.18Å; R83-I86 WeakPolarHBondContact O-CB 3.5Å; R83-I86 PolarHBondContact O-N 3.12Å; R83-L87 WeakPolarHBondContact O-CD1 2.96Å; R83-L87 PolarHBondContact O-N 2.99Å; R83-G293 PolarHBondContact NH1-O 2.91Å; R83-C330 HydrophobicContact CG-CB 4.17Å; R83-T333 PolarHBondContact NH2-OG1 2.95Å; R83-Y335 PolarHBondContact NH1-O 2.84Å; R83-S337 PolarHBondContact NH1-O 2.81Å; R83-S337 PolarHBondContact NH2-O 2.76Å
84	F	98.4	Very high	96.3	Very high	12 Å²	12	22.3 Å²	22.3	5%	0.053	11%	0.107	C	C	.	.	H	α-helix	trans	-68	-35.6	177.6	-67.6	-52.7	0	0	0	112.9	W62 S80 Y81 I86 L87 Q88 G260 L290 Y335	W62-F84 HydrophobicContact CZ2-CB 4.24Å; W62-F84 AromaticContact CZ2-CD1 3.97Å; W62-F84 HydrophobicContact CZ2-CD1 3.97Å; W62-F84 HydrophobicContact CZ2-CG 4.4Å; S80-F84 WeakPolarHBondContact O-CD2 3.41Å; S80-F84 PolarHBondContact O-N 3.21Å; S80-F84 WeakPolarHBondContact OG-CE2 3.28Å; Y81-F84 PolarHBondContact O-N 3.2Å; F84-I86 PolarHBondContact O-N 3.46Å; F84-L87 HydrophobicContact CD1-CD2 4.33Å; F84-L87 WeakPolarHBondContact O-CB 3.36Å; F84-L87 PolarHBondContact O-N 3.38Å; F84-Q88 WeakPolarHBondContact O-CB 3.45Å; F84-Q88 PolarHBondContact O-N 2.94Å; F84-G260 WeakPolarHBondContact CZ-O 3.39Å; F84-L290 HydrophobicContact CE1-CB 3.92Å; F84-L290 VanDerWaalsContact CZ-O 3.25Å; F84-L290 WeakPolarHBondContact CZ-O 3.46Å; F84-Y335 HydrophobicContact CE1-CD2 4.16Å; F84-Y335 HydrophobicContact CE1-CE2 4.34Å
85	D	98.7	Very high	96.6	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-59.9	-43.5	170.5	171.4	76	0	0	0	111.9	Y81 V82 L87 Q88 R89 V143 V144 R327	Y81-D85 WeakPolarHBondContact O-CB 3.3Å; Y81-D85 PolarHBondContact O-N 2.75Å; V82-D85 PolarHBondContact O-N 3.22Å; D85-L87 VanDerWaalsContact C-N 3.33Å; D85-L87 PolarHBondContact O-N 3.06Å; D85-Q88 PolarHBondContact O-N 3.39Å; D85-R89 WeakPolarHBondContact O-CB 3.18Å; D85-R89 VanDerWaalsContact O-CG 3.26Å; D85-R89 WeakPolarHBondContact O-CG 3.41Å; D85-R89 PolarHBondContact O-N 3.45Å; D85-R89 IonicContact OD1-NE 2.69Å; D85-R89 PolarHBondContact OD1-NE 2.97Å; D85-R89 WeakPolarHBondContact OD2-CD 3.47Å; D85-R89 IonicContact OD2-CZ 2.84Å; D85-R89 IonicContact OD2-NE 2.82Å; D85-R89 PolarHBondContact OD2-NE 3.35Å; D85-V143 HydrophobicContact CB-CB 4.46Å; D85-V143 HydrophobicContact CB-CG1 4.14Å; D85-V143 HydrophobicContact CB-CG2 4.32Å; D85-V144 WeakPolarHBondContact OD1-CB 3.29Å; D85-V144 WeakPolarHBondContact OD1-CG2 3.27Å; D85-V144 PolarHBondContact OD1-N 2.84Å; D85-R327 IonicContact OD2-CZ 4Å; D85-R327 IonicContact OD2-NH1 3.81Å; D85-R327 PolarHBondContact OD2-NH1 3.3Å; D85-R327 IonicContact OD2-NH2 3.93Å; D85-R327 PolarHBondContact OD2-NH2 3.41Å
86	I	98.7	Very high	96.8	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-59.1	-45.3	174.1	-70.4	160.6	0	0	0	110.7	V82 R83 F84 R89 I90 C330 L331 T402 F450	V82-I86 HydrophobicContact CG1-CD1 3.9Å; V82-I86 WeakPolarHBondContact O-CD1 3.36Å; V82-I86 VanDerWaalsContact O-CG1 3.26Å; V82-I86 WeakPolarHBondContact O-CG1 3.3Å; V82-I86 PolarHBondContact O-N 2.85Å; R83-I86 WeakPolarHBondContact O-CB 3.5Å; R83-I86 PolarHBondContact O-N 3.12Å; F84-I86 PolarHBondContact O-N 3.46Å; I86-R89 PolarHBondContact O-N 3.35Å; I86-I90 HydrophobicContact CG2-CD1 3.78Å; I86-I90 WeakPolarHBondContact O-CD1 3.48Å; I86-I90 VanDerWaalsContact O-CG1 3.24Å; I86-I90 WeakPolarHBondContact O-CG1 3.5Å; I86-I90 PolarHBondContact O-N 3.31Å; I86-C330 HydrophobicContact CD1-CB 4.4Å; I86-L331 HydrophobicContact CD1-CD2 3.82Å; I86-L331 HydrophobicContact CD1-CG 4.25Å; I86-L331 HydrophobicContact CG1-CD2 4.45Å; I86-L331 HydrophobicContact CG2-CD2 3.88Å; I86-T402 HydrophobicContact CG2-CG2 4.08Å; I86-F450 HydrophobicContact CG2-CD1 4.04Å
87	L	98.6	Very high	97.2	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-46.1	176.7	-90.7	60.9	0	0	0	111.8	W62 R83 F84 D85 R89 I90 L91 L290 Y335 F400	W62-L87 HydrophobicContact CH2-CB 3.92Å; R83-L87 WeakPolarHBondContact O-CD1 2.96Å; R83-L87 PolarHBondContact O-N 2.99Å; F84-L87 HydrophobicContact CD1-CD2 4.33Å; F84-L87 WeakPolarHBondContact O-CB 3.36Å; F84-L87 PolarHBondContact O-N 3.38Å; D85-L87 VanDerWaalsContact C-N 3.33Å; D85-L87 PolarHBondContact O-N 3.06Å; L87-R89 VanDerWaalsContact C-N 3.34Å; L87-R89 PolarHBondContact O-N 3.31Å; L87-I90 WeakPolarHBondContact O-CB 3.41Å; L87-I90 PolarHBondContact O-N 3.2Å; L87-L91 WeakPolarHBondContact O-CG 3.26Å; L87-L91 PolarHBondContact O-N 3.47Å; L87-L290 HydrophobicContact CD2-CD1 4.15Å; L87-Y335 HydrophobicContact CD1-CD1 4.22Å; L87-Y335 HydrophobicContact CD1-CG 4.1Å; L87-Y335 HydrophobicContact CD2-CD1 4.07Å; L87-Y335 HydrophobicContact CD2-CD2 4.09Å; L87-Y335 HydrophobicContact CD2-CE1 4.25Å; L87-Y335 HydrophobicContact CD2-CE2 4.26Å; L87-Y335 HydrophobicContact CD2-CG 4Å; L87-F400 HydrophobicContact CB-CD1 4.44Å; L87-F400 HydrophobicContact CB-CE1 4.46Å; L87-F400 HydrophobicContact CD1-CB 3.92Å; L87-F400 HydrophobicContact CD1-CG 4.14Å; L87-F400 HydrophobicContact CD2-CD2 3.77Å; L87-F400 HydrophobicContact CD2-CE2 4.01Å; L87-F400 HydrophobicContact CD2-CG 4.17Å; L87-F400 HydrophobicContact CG-CB 3.98Å; L87-F400 HydrophobicContact CG-CD1 3.88Å; L87-F400 HydrophobicContact CG-CD2 3.74Å; L87-F400 HydrophobicContact CG-CE1 4.25Å; L87-F400 HydrophobicContact CG-CE2 4.11Å; L87-F400 HydrophobicContact CG-CG 3.61Å; L87-F400 HydrophobicContact CG-CZ 4.35Å
88	Q	98.4	Very high	97.6	Very high	21 Å²	21	26.9 Å²	26.9	10%	0.098	15%	0.145	C	C	.	.	H	α-helix	trans	-60.9	-41.6	176.9	178.1	177.2	-13.3	0	0	111.8	W62 F84 D85 L91 T92 V99	W62-Q88 HydrophobicContact CZ3-CB 4.18Å; F84-Q88 WeakPolarHBondContact O-CB 3.45Å; F84-Q88 PolarHBondContact O-N 2.94Å; D85-Q88 PolarHBondContact O-N 3.39Å; Q88-L91 PolarHBondContact O-N 3.44Å; Q88-T92 HydrophobicContact CG-CG2 4.47Å; Q88-T92 WeakPolarHBondContact O-CB 3.19Å; Q88-T92 VanDerWaalsContact O-CG2 3.27Å; Q88-T92 WeakPolarHBondContact O-CG2 3.4Å; Q88-T92 PolarHBondContact O-N 2.8Å; Q88-T92 PolarHBondContact O-OG1 2.84Å; Q88-V99 HydrophobicContact CG-CB 4.11Å; Q88-V99 HydrophobicContact CG-CG1 4.09Å; Q88-V99 HydrophobicContact CG-CG2 4.19Å
89	R	98.6	Very high	97.8	Very high	34 Å²	34	27.9 Å²	27.9	13%	0.128	15%	0.15	C	C	.	.	H	α-helix	trans	-65.6	-39.3	175.5	-70.4	168.7	177.5	-90.7	2.6	112.1	D85 I86 L87 T92 R93 K142 V144 V449	D85-R89 WeakPolarHBondContact O-CB 3.18Å; D85-R89 VanDerWaalsContact O-CG 3.26Å; D85-R89 WeakPolarHBondContact O-CG 3.41Å; D85-R89 PolarHBondContact O-N 3.45Å; D85-R89 IonicContact OD1-NE 2.69Å; D85-R89 PolarHBondContact OD1-NE 2.97Å; D85-R89 WeakPolarHBondContact OD2-CD 3.47Å; D85-R89 IonicContact OD2-CZ 2.84Å; D85-R89 IonicContact OD2-NE 2.82Å; D85-R89 PolarHBondContact OD2-NE 3.35Å; I86-R89 PolarHBondContact O-N 3.35Å; L87-R89 VanDerWaalsContact C-N 3.34Å; L87-R89 PolarHBondContact O-N 3.31Å; R89-T92 WeakPolarHBondContact CA-OG1 3.36Å; R89-T92 PolarHBondContact O-N 2.79Å; R89-T92 PolarHBondContact O-OG1 3.24Å; R89-R93 WeakPolarHBondContact O-CB 3.44Å; R89-R93 WeakPolarHBondContact O-CG 3.5Å; R89-R93 PolarHBondContact O-N 2.89Å; R89-K142 PolarHBondContact NH2-O 3.4Å; R89-V144 VanDerWaalsContact NH2-CG2 3.31Å; R89-V449 WeakPolarHBondContact CB-O 3.49Å; R89-V449 VanDerWaalsContact CD-O 3.27Å; R89-V449 WeakPolarHBondContact CD-O 3.49Å
90	I	98.6	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.2	-50.8	173.9	-69.6	159.2	0	0	0	110.2	I86 L87 T92 L94 F95 L396 F400 T402 V449 F450	I86-I90 HydrophobicContact CG2-CD1 3.78Å; I86-I90 WeakPolarHBondContact O-CD1 3.48Å; I86-I90 VanDerWaalsContact O-CG1 3.24Å; I86-I90 WeakPolarHBondContact O-CG1 3.5Å; I86-I90 PolarHBondContact O-N 3.31Å; L87-I90 WeakPolarHBondContact O-CB 3.41Å; L87-I90 PolarHBondContact O-N 3.2Å; I90-T92 PolarHBondContact O-N 2.96Å; I90-L94 HydrophobicContact CG2-CD1 4.41Å; I90-L94 WeakPolarHBondContact O-CB 3.4Å; I90-L94 PolarHBondContact O-N 3.4Å; I90-F95 HydrophobicContact CG2-CD2 3.92Å; I90-F95 HydrophobicContact CG2-CE2 3.65Å; I90-F95 WeakPolarHBondContact O-CD2 3.47Å; I90-L396 HydrophobicContact CD1-CD2 3.84Å; I90-L396 HydrophobicContact CG1-CD1 4.35Å; I90-L396 HydrophobicContact CG1-CD2 4.49Å; I90-L396 HydrophobicContact CG2-CB 4.11Å; I90-F400 HydrophobicContact CB-CD1 4.17Å; I90-F400 HydrophobicContact CB-CE1 4.35Å; I90-F400 HydrophobicContact CD1-CD1 4.07Å; I90-F400 HydrophobicContact CG2-CD1 3.81Å; I90-F400 HydrophobicContact CG2-CE1 3.99Å; I90-T402 HydrophobicContact CD1-CG2 4.25Å; I90-V449 HydrophobicContact CG1-CG1 3.91Å; I90-F450 HydrophobicContact CD1-CE1 4.24Å; I90-F450 HydrophobicContact CG1-CE1 4.32Å
91	L	98	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-55.5	-49.9	178	-74.3	-176.2	0	0	0	112.2	I39 L52 W62 L87 Q88 F95 G96 V97 V99 I257 F400	I39-L91 HydrophobicContact CD1-CD2 3.25Å; L52-L91 HydrophobicContact CD2-CD2 3.81Å; W62-L91 HydrophobicContact CE3-CD1 4.16Å; W62-L91 HydrophobicContact CZ3-CD1 3.67Å; L87-L91 WeakPolarHBondContact O-CG 3.26Å; L87-L91 PolarHBondContact O-N 3.47Å; Q88-L91 PolarHBondContact O-N 3.44Å; L91-F95 CarbonylContact O-C 3.58Å; L91-F95 WeakPolarHBondContact O-CA 3.35Å; L91-F95 PolarHBondContact O-N 3.45Å; L91-G96 PolarHBondContact O-N 2.98Å; L91-V97 HydrophobicContact CB-CB 4.23Å; L91-V97 PolarHBondContact O-N 3.17Å; L91-V97 VanDerWaalsContact O-N 3.08Å; L91-V99 HydrophobicContact CB-CG2 4.25Å; L91-V99 HydrophobicContact CD1-CG2 4.18Å; L91-I257 HydrophobicContact CD1-CD1 4.1Å; L91-F400 HydrophobicContact CD2-CE1 3.93Å; L91-F400 HydrophobicContact CD2-CZ 3.86Å; L91-F400 HydrophobicContact CG-CE1 4.04Å; L91-F400 HydrophobicContact CG-CZ 4.09Å
92	T	98	Very high	98	Very high	46 Å²	46	30.5 Å²	30.5	28%	0.282	16%	0.164	S	C	.	.	H	α-helix	trans	-71.9	-45	-174.7	52.6	0	0	0	0	112.9	Q88 R89 I90 V97 V99	Q88-T92 HydrophobicContact CG-CG2 4.47Å; Q88-T92 WeakPolarHBondContact O-CB 3.19Å; Q88-T92 VanDerWaalsContact O-CG2 3.27Å; Q88-T92 WeakPolarHBondContact O-CG2 3.4Å; Q88-T92 PolarHBondContact O-N 2.8Å; Q88-T92 PolarHBondContact O-OG1 2.84Å; R89-T92 WeakPolarHBondContact CA-OG1 3.36Å; R89-T92 PolarHBondContact O-N 2.79Å; R89-T92 PolarHBondContact O-OG1 3.24Å; I90-T92 PolarHBondContact O-N 2.96Å; T92-V97 VanDerWaalsContact CA-O 3.23Å; T92-V97 WeakPolarHBondContact CA-O 3.24Å; T92-V97 WeakPolarHBondContact CG2-O 3.42Å; T92-V99 HydrophobicContact CG2-CB 4.23Å; T92-V99 HydrophobicContact CG2-CG2 3.83Å
93	R	97	Very high	98	Very high	145 Å²	145	30.9 Å²	30.9	55%	0.547	17%	0.166	S	C	.	.	H	α-helix	trans	-90.5	-26.6	-170.3	-58.7	-59.7	-169.6	83.7	0.4	114.1	R89 D448 V449	R89-R93 WeakPolarHBondContact O-CB 3.44Å; R89-R93 WeakPolarHBondContact O-CG 3.5Å; R89-R93 PolarHBondContact O-N 2.89Å; R93-D448 IonicContact CZ-OD2 3.27Å; R93-D448 IonicContact NH1-OD2 3.78Å; R93-D448 PolarHBondContact NH1-OD2 3.3Å; R93-V449 HydrophobicContact CB-CG2 3.79Å; R93-V449 HydrophobicContact CG-CG2 4.43Å
94	L	97.2	Very high	97.9	Very high	69 Å²	69	30.7 Å²	30.7	36%	0.361	17%	0.165	S	C	.	.	H	α-helix	trans	-109.4	-27.6	-177.5	-60.9	-177.8	0	0	0	113.8	I90 L396 V449	I90-L94 HydrophobicContact CG2-CD1 4.41Å; I90-L94 WeakPolarHBondContact O-CB 3.4Å; I90-L94 PolarHBondContact O-N 3.4Å; L94-L396 HydrophobicContact CD1-CD1 3.46Å; L94-L396 VanDerWaalsContact CD1-CD1 3.46Å; L94-V449 HydrophobicContact CD1-CG1 4.08Å; L94-V449 HydrophobicContact CD2-CG2 4.09Å; L94-V449 HydrophobicContact CG-CG1 4.16Å; L94-V449 HydrophobicContact CG-CG2 4.21Å
95	F	97.1	Very high	97.9	Very high	40 Å²	40	30.1 Å²	30.1	18%	0.175	16%	0.163	C	C	.	.	S	Bend	trans	-115.2	5.9	-176.3	-63	-89.7	0	0	0	113.4	I39 I90 L91 V97 L393 A397	I39-F95 HydrophobicContact CD1-CB 4.06Å; I39-F95 HydrophobicContact CD1-CD1 3.82Å; I39-F95 HydrophobicContact CD1-CD2 3.56Å; I39-F95 HydrophobicContact CD1-CE1 4.13Å; I39-F95 HydrophobicContact CD1-CE2 3.89Å; I39-F95 HydrophobicContact CD1-CG 3.53Å; I39-F95 HydrophobicContact CD1-CZ 4.17Å; I39-F95 HydrophobicContact CG1-CD1 3.6Å; I39-F95 HydrophobicContact CG1-CD2 4.12Å; I39-F95 HydrophobicContact CG1-CE1 3.59Å; I39-F95 HydrophobicContact CG1-CE2 4.11Å; I39-F95 HydrophobicContact CG1-CG 3.89Å; I39-F95 HydrophobicContact CG1-CZ 3.87Å; I90-F95 HydrophobicContact CG2-CD2 3.92Å; I90-F95 HydrophobicContact CG2-CE2 3.65Å; I90-F95 WeakPolarHBondContact O-CD2 3.47Å; L91-F95 CarbonylContact O-C 3.58Å; L91-F95 WeakPolarHBondContact O-CA 3.35Å; L91-F95 PolarHBondContact O-N 3.45Å; F95-V97 HydrophobicContact CB-CG2 4.43Å; F95-V97 PolarHBondContact O-N 2.89Å; F95-L393 HydrophobicContact CE1-CD1 4.15Å; F95-L393 HydrophobicContact CE2-CD1 4.41Å; F95-L393 HydrophobicContact CZ-CD1 3.82Å; F95-A397 HydrophobicContact CE1-CB 3.92Å; F95-A397 HydrophobicContact CZ-CB 3.72Å
96	G	96.3	Very high	97.8	Very high	57 Å²	57	30.2 Å²	30.2	59%	0.588	16%	0.163	S	C	*	.			trans	64.4	22.2	173.2	0	0	0	0	0	114.5	L91	L91-G96 PolarHBondContact O-N 2.98Å
97	V	98.2	Very high	97.7	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-90	120.9	-179.2	175.6	0	0	0	0	110.1	T37 L54 G58 A60 L91 T92 F95 V99	T37-V97 HydrophobicContact CG2-CG2 3.9Å; L54-V97 HydrophobicContact CD1-CB 4.46Å; L54-V97 HydrophobicContact CD1-CG1 3.61Å; L54-V97 HydrophobicContact CD1-CG2 3.96Å; G58-V97 CarbonylContact O-C 3.6Å; G58-V97 WeakPolarHBondContact O-CA 3.37Å; A60-V97 HydrophobicContact CB-CG1 3.72Å; L91-V97 HydrophobicContact CB-CB 4.23Å; L91-V97 PolarHBondContact O-N 3.17Å; L91-V97 VanDerWaalsContact O-N 3.08Å; T92-V97 VanDerWaalsContact CA-O 3.23Å; T92-V97 WeakPolarHBondContact CA-O 3.24Å; T92-V97 WeakPolarHBondContact CG2-O 3.42Å; F95-V97 HydrophobicContact CB-CG2 4.43Å; F95-V97 PolarHBondContact O-N 2.89Å; V97-V99 HydrophobicContact CG1-CG2 4.21Å; V97-V99 PolarHBondContact O-N 3.44Å
98	T	97.9	Very high	97.5	Very high	88 Å²	88	30.9 Å²	30.9	54%	0.54	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	123	167.4	-59.5	0	0	0	0	109.2	G58 T59 A60	G58-T98 PolarHBondContact O-N 3.1Å; T59-T98 CarbonylContact C-O 3.59Å; T59-T98 VanDerWaalsContact CA-O 3.28Å; T59-T98 WeakPolarHBondContact CA-O 3.49Å; A60-T98 PolarHBondContact N-O 2.89Å
99	V	98.1	Very high	97.3	Very high	20 Å²	20	30.8 Å²	30.8	12%	0.121	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121	180	178.7	0	0	0	0	109.8	A60 W62 Q88 L91 T92 V97 H101	A60-V99 HydrophobicContact CB-CG2 4.44Å; W62-V99 HydrophobicContact CB-CG1 3.82Å; W62-V99 HydrophobicContact CD2-CG1 4.39Å; W62-V99 HydrophobicContact CE3-CG1 3.86Å; W62-V99 HydrophobicContact CG-CG1 4.43Å; Q88-V99 HydrophobicContact CG-CB 4.11Å; Q88-V99 HydrophobicContact CG-CG1 4.09Å; Q88-V99 HydrophobicContact CG-CG2 4.19Å; L91-V99 HydrophobicContact CB-CG2 4.25Å; L91-V99 HydrophobicContact CD1-CG2 4.18Å; T92-V99 HydrophobicContact CG2-CB 4.23Å; T92-V99 HydrophobicContact CG2-CG2 3.83Å; V97-V99 HydrophobicContact CG1-CG2 4.21Å; V97-V99 PolarHBondContact O-N 3.44Å; V99-H101 HydrophobicContact CG1-CB 4.14Å
100	I	97.8	Very high	97	Very high	76 Å²	76	32 Å²	32	39%	0.39	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	95	170.6	-53.7	173.7	0	0	0	107.2	T59 A60 W62 F251	T59-I100 HydrophobicContact CG2-CD1 3.77Å; T59-I100 HydrophobicContact CG2-CG1 4.11Å; A60-I100 PolarHBondContact O-N 2.87Å; W62-I100 PolarHBondContact N-O 2.87Å; I100-F251 HydrophobicContact CB-CE1 4.45Å; I100-F251 HydrophobicContact CG2-CE1 3.94Å; I100-F251 HydrophobicContact CG2-CZ 4.35Å; I100-F251 WeakPolarHBondContact O-CZ 3.32Å
101	H	98.3	Very high	96.7	Very high	16 Å²	16	36.1 Å²	36.1	7%	0.074	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.2	-175.3	-177.1	-152.9	0	0	0	111.8	W62 S64 V99 P146 A147	W62-H101 AromaticContact CD1-CD2 3.87Å; W62-H101 CarbonylContact O-C 3.43Å; W62-H101 VanDerWaalsContact O-CA 3.28Å; W62-H101 WeakPolarHBondContact O-CA 3.46Å; W62-H101 PolarHBondContact O-CD2 3.3Å; S64-H101 WeakPolarHBondContact CB-NE2 3.42Å; S64-H101 PolarHBondContact OG-NE2 2.98Å; V99-H101 HydrophobicContact CG1-CB 4.14Å; H101-P146 HydrophobicContact CB-CB 4.34Å; H101-P146 CarbonylContact O-C 3.53Å; H101-P146 WeakPolarHBondContact O-CB 3.31Å; H101-A147 WeakPolarHBondContact O-CB 3.18Å; H101-A147 PolarHBondContact O-N 3.24Å
102	A	98	Very high	96.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	148	171.6	0	0	0	0	0	111.3	W62 Y63 S64 V148 M250 F251	W62-A102 PolarHBondContact O-N 3.26Å; Y63-A102 WeakPolarHBondContact CA-O 3.37Å; Y63-A102 HydrophobicContact CD2-CB 4.31Å; S64-A102 PolarHBondContact N-O 3.43Å; A102-V148 HydrophobicContact CB-CG1 3.59Å; A102-M250 HydrophobicContact CB-CG 4.48Å; A102-F251 HydrophobicContact CB-CE2 3.82Å; A102-F251 HydrophobicContact CB-CZ 3.83Å
103	M	97.9	Very high	96.4	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.039	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	135.1	178.7	-177.4	-177.4	-70.8	0	0	110.8	S64 Y81 F134 P146 V148 Y149 L150	S64-M103 WeakPolarHBondContact O-CA 3.48Å; S64-M103 VanDerWaalsContact OG-CE 3.23Å; S64-M103 WeakPolarHBondContact OG-CE 3.44Å; Y81-M103 HydrophobicContact CD1-CE 3.9Å; Y81-M103 HydrophobicContact CE1-CE 3.59Å; Y81-M103 HydrophobicContact CE1-SD 4.37Å; M103-F134 HydrophobicContact SD-CE1 4.05Å; M103-F134 HydrophobicContact SD-CZ 4.18Å; M103-P146 HydrophobicContact CB-CB 4.2Å; M103-P146 HydrophobicContact CB-CG 3.91Å; M103-V148 PolarHBondContact N-O 3.16Å; M103-V148 VanDerWaalsContact N-O 3.08Å; M103-Y149 HydrophobicContact CB-CD1 4.23Å; M103-Y149 HydrophobicContact CB-CE1 4.45Å; M103-Y149 HydrophobicContact CG-CD1 4.47Å; M103-Y149 WeakPolarHBondContact O-CA 3.39Å; M103-Y149 HydrophobicContact SD-CD1 4.25Å; M103-Y149 HydrophobicContact SD-CE1 3.8Å; M103-L150 PolarHBondContact O-N 2.9Å
104	V	96.8	Very high	96.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	141.5	169.2	71	0	0	0	0	111	Y63 G66 L150 V152 V246	Y63-V104 VanDerWaalsContact OH-CB 3.23Å; Y63-V104 WeakPolarHBondContact OH-CB 3.43Å; Y63-V104 WeakPolarHBondContact OH-CG1 3.49Å; G66-V104 WeakPolarHBondContact CA-O 3.46Å; G66-V104 PolarHBondContact N-O 3.11Å; V104-L150 CarbonylContact C-O 3.6Å; V104-L150 VanDerWaalsContact CA-O 3.23Å; V104-L150 WeakPolarHBondContact CA-O 3.23Å; V104-L150 WeakPolarHBondContact CG2-O 3.27Å; V104-V152 HydrophobicContact CG2-CG2 3.83Å; V104-V246 HydrophobicContact CB-CG1 4.38Å; V104-V246 HydrophobicContact CG2-CG2 4.16Å
105	I	97.7	Very high	96	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.2	164.1	-60.7	-56.9	0	0	0	107.6	P67 V69 D107 E131 F134 Y149 L150 R151 V152	P67-I105 HydrophobicContact CG-CD1 4.04Å; V69-I105 HydrophobicContact CG1-CG2 3.79Å; V69-I105 HydrophobicContact CG2-CG2 3.87Å; I105-D107 HydrophobicContact CG2-CB 4.4Å; I105-D107 PolarHBondContact O-N 2.86Å; I105-D107 VanDerWaalsContact O-N 3.08Å; I105-E131 HydrophobicContact CG1-CG 4.29Å; I105-E131 HydrophobicContact CG2-CB 4.33Å; I105-E131 HydrophobicContact CG2-CG 3.97Å; I105-F134 HydrophobicContact CD1-CD1 4.37Å; I105-F134 HydrophobicContact CD1-CE1 4.31Å; I105-Y149 HydrophobicContact CD1-CD1 3.71Å; I105-Y149 HydrophobicContact CD1-CE1 4.14Å; I105-Y149 HydrophobicContact CG1-CD1 3.93Å; I105-Y149 HydrophobicContact CG1-CG 4.48Å; I105-L150 PolarHBondContact N-O 3.2Å; I105-R151 HydrophobicContact CB-CG 4.21Å; I105-V152 WeakPolarHBondContact O-CG2 3.45Å; I105-V152 PolarHBondContact O-N 2.84Å
106	T	97.3	Very high	95.9	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.031	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-80.5	90.7	176.4	-53.6	0	0	0	0	109.1	P67 T68 V69 D109 I112	P67-T106 PolarHBondContact O-N 2.78Å; T68-T106 WeakPolarHBondContact CA-O 3.44Å; T68-T106 HydrophobicContact CG2-CG2 4.11Å; V69-T106 WeakPolarHBondContact CG2-O 3.49Å; V69-T106 PolarHBondContact N-O 2.86Å; T106-D109 HydrophobicContact CG2-CB 4.24Å; T106-I112 VanDerWaalsContact O-CD1 3.3Å; T106-I112 WeakPolarHBondContact O-CD1 3.46Å
107	D	96.4	Very high	95.7	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	17%	0.171	C	C	.	.			trans	-98.4	5.5	-177.8	66.4	-30	0	0	0	113.7	V69 I105 R151 V152 T153	V69-D107 HydrophobicContact CG2-CB 4.05Å; I105-D107 HydrophobicContact CG2-CB 4.4Å; I105-D107 PolarHBondContact O-N 2.86Å; I105-D107 VanDerWaalsContact O-N 3.08Å; D107-R151 WeakPolarHBondContact OD2-CB 3.46Å; D107-V152 WeakPolarHBondContact OD1-CA 3.49Å; D107-V152 WeakPolarHBondContact OD1-CB 3.29Å; D107-V152 PolarHBondContact OD1-N 3.47Å; D107-T153 PolarHBondContact OD1-N 3.03Å; D107-T153 WeakPolarHBondContact OD2-CB 3.49Å; D107-T153 VanDerWaalsContact OD2-CG2 3.28Å; D107-T153 WeakPolarHBondContact OD2-CG2 3.38Å; D107-T153 PolarHBondContact OD2-OG1 3.32Å
108	I	94.7	Very high	95.5	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.077	20%	0.198	C	C	.	.			trans	-140	122.3	167	-177.5	65.1	0	0	0	110.1	I113 V152 T153 P226 W228	I108-I113 HydrophobicContact CD1-CD1 4.07Å; I108-I113 HydrophobicContact CD1-CG1 4.06Å; I108-V152 HydrophobicContact CG2-CB 3.94Å; I108-V152 HydrophobicContact CG2-CG1 3.58Å; I108-T153 HydrophobicContact CB-CG2 3.99Å; I108-T153 HydrophobicContact CG2-CG2 3.98Å; I108-P226 HydrophobicContact CD1-CB 3.98Å; I108-P226 HydrophobicContact CD1-CG 4.05Å; I108-W228 HydrophobicContact CB-CH2 4.26Å; I108-W228 HydrophobicContact CD1-CH2 4.21Å; I108-W228 HydrophobicContact CD1-CZ3 4.38Å; I108-W228 HydrophobicContact CG1-CH2 3.88Å; I108-W228 HydrophobicContact CG1-CZ3 3.94Å; I108-W228 HydrophobicContact CG2-CH2 4.39Å
109	D	93.6	Very high	95.2	Very high	20 Å²	20	42.3 Å²	42.3	11%	0.107	19%	0.188	C	C	.	.	S	Bend	trans	-161.5	163.7	177.5	178.3	-116.7	0	0	0	110.5	T68 T106 K111 I112 I113	T68-D109 HydrophobicContact CG2-CB 3.73Å; T106-D109 HydrophobicContact CG2-CB 4.24Å; D109-K111 PolarHBondContact O-N 2.84Å; D109-K111 VanDerWaalsContact OD1-CB 3.29Å; D109-K111 WeakPolarHBondContact OD1-CB 3.37Å; D109-K111 VanDerWaalsContact OD1-CG 3.3Å; D109-K111 WeakPolarHBondContact OD1-CG 3.47Å; D109-K111 PolarHBondContact OD1-N 3.27Å; D109-I112 HydrophobicContact CB-CD1 4.45Å; D109-I112 HydrophobicContact CB-CG1 4.48Å; D109-I112 PolarHBondContact O-N 2.65Å; D109-I112 VanDerWaalsContact O-N 3.1Å; D109-I113 WeakPolarHBondContact O-CG1 3.35Å; D109-I113 PolarHBondContact O-N 2.74Å
110	D	92.1	Very high	95	Very high	60 Å²	60	48.6 Å²	48.6	32%	0.321	22%	0.221	S	C	.	.	H	α-helix	trans	-52.3	-36.1	173.2	-64.9	-13.7	0	0	0	111.8	R114 K219 R236	D110-R114 WeakPolarHBondContact O-CB 3.35Å; D110-R114 PolarHBondContact O-N 3.15Å; D110-K219 IonicContact OD1-NZ 3.94Å; D110-K219 IonicContact OD2-NZ 3.59Å; D110-K219 PolarHBondContact OD2-NZ 3.3Å; D110-K219 VanDerWaalsContact OD2-NZ 3.13Å; D110-R236 IonicContact OD1-CZ 2.86Å; D110-R236 IonicContact OD1-NH1 3.06Å; D110-R236 PolarHBondContact OD1-NH1 3.23Å; D110-R236 IonicContact OD1-NH2 3.2Å; D110-R236 PolarHBondContact OD1-NH2 2.97Å
111	K	93.2	Very high	94.8	Very high	86 Å²	86	47.7 Å²	47.7	37%	0.374	22%	0.218	S	C	.	.	H	α-helix	trans	-70.8	-39.8	178.3	-65.1	174.4	-175.1	171.7	0	112.9	Y70 D109 R114 R115	Y70-K111 HydrophobicContact CD1-CB 3.96Å; Y70-K111 HydrophobicContact CD1-CD 4.04Å; Y70-K111 HydrophobicContact CD2-CB 4.13Å; Y70-K111 HydrophobicContact CE1-CB 4.29Å; Y70-K111 HydrophobicContact CE1-CD 3.58Å; Y70-K111 HydrophobicContact CE2-CB 4.44Å; Y70-K111 HydrophobicContact CE2-CD 4.43Å; Y70-K111 HydrophobicContact CG-CB 3.87Å; D109-K111 PolarHBondContact O-N 2.84Å; D109-K111 VanDerWaalsContact OD1-CB 3.29Å; D109-K111 WeakPolarHBondContact OD1-CB 3.37Å; D109-K111 VanDerWaalsContact OD1-CG 3.3Å; D109-K111 WeakPolarHBondContact OD1-CG 3.47Å; D109-K111 PolarHBondContact OD1-N 3.27Å; K111-R114 PolarHBondContact O-N 3.37Å; K111-R115 WeakPolarHBondContact O-CB 3.36Å; K111-R115 PolarHBondContact O-N 3.45Å
112	I	95	Very high	94.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-46.3	177.8	-64.2	172.3	0	0	0	109.4	T68 V69 T106 D109 R114 R115 S116 P123 I126	T68-I112 HydrophobicContact CG2-CD1 4.06Å; T68-I112 HydrophobicContact CG2-CG1 4.16Å; V69-I112 HydrophobicContact CG2-CD1 4.25Å; T106-I112 VanDerWaalsContact O-CD1 3.3Å; T106-I112 WeakPolarHBondContact O-CD1 3.46Å; D109-I112 HydrophobicContact CB-CD1 4.45Å; D109-I112 HydrophobicContact CB-CG1 4.48Å; D109-I112 PolarHBondContact O-N 2.65Å; D109-I112 VanDerWaalsContact O-N 3.1Å; I112-R114 VanDerWaalsContact C-N 3.33Å; I112-R114 PolarHBondContact O-N 3.05Å; I112-R115 PolarHBondContact O-N 2.99Å; I112-S116 WeakPolarHBondContact O-CB 3.4Å; I112-S116 PolarHBondContact O-N 3.44Å; I112-P123 HydrophobicContact CG2-CB 3.99Å; I112-I126 HydrophobicContact CG2-CG2 4.41Å
113	I	93.4	Very high	94.3	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-46.3	177.3	-64.3	167.9	0	0	0	110.2	I108 D109 R115 S116 W117 E225 P226	I108-I113 HydrophobicContact CD1-CD1 4.07Å; I108-I113 HydrophobicContact CD1-CG1 4.06Å; D109-I113 WeakPolarHBondContact O-CG1 3.35Å; D109-I113 PolarHBondContact O-N 2.74Å; I113-R115 PolarHBondContact O-N 3.24Å; I113-S116 WeakPolarHBondContact O-CB 3.24Å; I113-S116 PolarHBondContact O-N 3.04Å; I113-S116 PolarHBondContact O-OG 3.4Å; I113-W117 HydrophobicContact CG2-CD2 4.24Å; I113-W117 HydrophobicContact CG2-CE3 4.43Å; I113-W117 HydrophobicContact CG2-CH2 3.62Å; I113-W117 HydrophobicContact CG2-CZ2 3.37Å; I113-W117 HydrophobicContact CG2-CZ3 4.14Å; I113-W117 PolarHBondContact O-N 3.34Å; I113-E225 HydrophobicContact CD1-CG 4.48Å; I113-E225 HydrophobicContact CG2-CG 4.33Å; I113-P226 HydrophobicContact CG1-CG 4.3Å
114	R	93.8	Very high	94	Very high	152 Å²	152	54.5 Å²	54.5	57%	0.574	26%	0.261	S	S	*	.	H	α-helix	trans	-60.4	-47.1	177.4	-172.8	-178.1	-56.9	170.2	4.4	112.1	D110 K111 I112 S116 W117 E118	D110-R114 WeakPolarHBondContact O-CB 3.35Å; D110-R114 PolarHBondContact O-N 3.15Å; K111-R114 PolarHBondContact O-N 3.37Å; I112-R114 VanDerWaalsContact C-N 3.33Å; I112-R114 PolarHBondContact O-N 3.05Å; R114-S116 VanDerWaalsContact C-N 3.26Å; R114-S116 PolarHBondContact O-N 3.49Å; R114-W117 PolarHBondContact O-N 3.2Å; R114-W117 VanDerWaalsContact O-N 3.16Å; R114-E118 WeakPolarHBondContact CG-OE1 3.47Å; R114-E118 WeakPolarHBondContact O-CG 3.34Å; R114-E118 PolarHBondContact O-N 3.26Å
115	R	93.3	Very high	93.8	Very high	76 Å²	76	58 Å²	58	29%	0.287	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-37.7	178.8	-169.7	67	177.2	-175.7	-3.3	112.1	K111 I112 I113 W117 E118 E119 I126	K111-R115 WeakPolarHBondContact O-CB 3.36Å; K111-R115 PolarHBondContact O-N 3.45Å; I112-R115 PolarHBondContact O-N 2.99Å; I113-R115 PolarHBondContact O-N 3.24Å; R115-W117 VanDerWaalsContact C-N 3.27Å; R115-W117 PolarHBondContact O-N 3.34Å; R115-E118 IonicContact NH1-OE2 3.52Å; R115-E118 PolarHBondContact O-N 3.05Å; R115-E119 HydrophobicContact CG-CG 4.43Å; R115-E119 IonicContact CZ-OE1 3Å; R115-E119 IonicContact NE-OE1 2.67Å; R115-E119 PolarHBondContact NE-OE1 3.41Å; R115-E119 IonicContact NH2-OE1 2.66Å; R115-E119 PolarHBondContact NH2-OE1 2.85Å; R115-E119 PolarHBondContact O-N 2.83Å; R115-I126 HydrophobicContact CB-CD1 4.14Å; R115-I126 HydrophobicContact CG-CD1 3.79Å; R115-I126 HydrophobicContact CG-CG2 4.41Å
116	S	93.3	Very high	93.6	Very high	6 Å²	6	58 Å²	58	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-57.9	-39.4	176.5	86.1	0	0	0	0	112.6	I112 I113 R114 N120 V121 I126	I112-S116 WeakPolarHBondContact O-CB 3.4Å; I112-S116 PolarHBondContact O-N 3.44Å; I113-S116 WeakPolarHBondContact O-CB 3.24Å; I113-S116 PolarHBondContact O-N 3.04Å; I113-S116 PolarHBondContact O-OG 3.4Å; R114-S116 VanDerWaalsContact C-N 3.26Å; R114-S116 PolarHBondContact O-N 3.49Å; S116-N120 WeakPolarHBondContact O-CA 3.49Å; S116-N120 PolarHBondContact O-N 3.23Å; S116-V121 CarbonylContact C-O 3.58Å; S116-V121 VanDerWaalsContact CA-O 3.27Å; S116-V121 WeakPolarHBondContact CA-O 3.49Å; S116-V121 WeakPolarHBondContact CB-O 3.41Å; S116-V121 PolarHBondContact O-N 3.16Å; S116-V121 VanDerWaalsContact O-N 3.08Å; S116-V121 VanDerWaalsContact O-O 3.06Å; S116-I126 VanDerWaalsContact CA-CD1 3.45Å
117	W	93.4	Very high	93.5	Very high	147 Å²	147	57.9 Å²	57.9	56%	0.557	28%	0.282	S	S	*	.	H	α-helix	trans	-74.8	-38.5	175.9	-59.9	-27.4	0	0	0	112.6	I113 R114 R115 E119 E225	I113-W117 HydrophobicContact CG2-CD2 4.24Å; I113-W117 HydrophobicContact CG2-CE3 4.43Å; I113-W117 HydrophobicContact CG2-CH2 3.62Å; I113-W117 HydrophobicContact CG2-CZ2 3.37Å; I113-W117 HydrophobicContact CG2-CZ3 4.14Å; I113-W117 PolarHBondContact O-N 3.34Å; R114-W117 PolarHBondContact O-N 3.2Å; R114-W117 VanDerWaalsContact O-N 3.16Å; R115-W117 VanDerWaalsContact C-N 3.27Å; R115-W117 PolarHBondContact O-N 3.34Å; W117-E119 VanDerWaalsContact C-N 3.35Å; W117-E225 HydrophobicContact CH2-CG 4.32Å; W117-E225 HydrophobicContact CZ2-CG 4.22Å
118	E	93.6	Very high	93.5	Very high	122 Å²	122	61.1 Å²	61.1	57%	0.57	29%	0.294	S	S	*	.	H	α-helix	trans	-62.3	-40.6	177.2	-70.6	171	-174.9	0	0	112.2	R114 R115	R114-E118 WeakPolarHBondContact CG-OE1 3.47Å; R114-E118 WeakPolarHBondContact O-CG 3.34Å; R114-E118 PolarHBondContact O-N 3.26Å; R115-E118 IonicContact NH1-OE2 3.52Å; R115-E118 PolarHBondContact O-N 3.05Å
119	E	92.1	Very high	93.5	Very high	69 Å²	69	64.8 Å²	64.8	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-94.3	-7.3	-178.1	-65.2	-171.5	176.6	0	0	113.8	R115 W117 V121 I126	R115-E119 HydrophobicContact CG-CG 4.43Å; R115-E119 IonicContact CZ-OE1 3Å; R115-E119 IonicContact NE-OE1 2.67Å; R115-E119 PolarHBondContact NE-OE1 3.41Å; R115-E119 IonicContact NH2-OE1 2.66Å; R115-E119 PolarHBondContact NH2-OE1 2.85Å; R115-E119 PolarHBondContact O-N 2.83Å; W117-E119 VanDerWaalsContact C-N 3.35Å; E119-V121 VanDerWaalsContact C-N 3.28Å; E119-V121 HydrophobicContact CB-CB 4.47Å; E119-V121 HydrophobicContact CB-CG2 4.21Å; E119-V121 PolarHBondContact O-N 3.42Å; E119-I126 HydrophobicContact CB-CD1 4.45Å
120	N	93.2	Very high	93.7	Very high	153 Å²	153	64.4 Å²	64.4	82%	0.818	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	43.1	-172.8	-166.9	47.1	0	0	0	112.8	S116	S116-N120 WeakPolarHBondContact O-CA 3.49Å; S116-N120 PolarHBondContact O-N 3.23Å
121	V	93.3	Very high	93.9	Very high	56 Å²	56	61.6 Å²	61.6	34%	0.339	29%	0.294	S	S	.	.			trans	-125.1	150.1	178.7	176.6	0	0	0	0	108.3	S116 E119 V125 I126	S116-V121 CarbonylContact C-O 3.58Å; S116-V121 VanDerWaalsContact CA-O 3.27Å; S116-V121 WeakPolarHBondContact CA-O 3.49Å; S116-V121 WeakPolarHBondContact CB-O 3.41Å; S116-V121 PolarHBondContact O-N 3.16Å; S116-V121 VanDerWaalsContact O-N 3.08Å; S116-V121 VanDerWaalsContact O-O 3.06Å; E119-V121 VanDerWaalsContact C-N 3.28Å; E119-V121 HydrophobicContact CB-CB 4.47Å; E119-V121 HydrophobicContact CB-CG2 4.21Å; E119-V121 PolarHBondContact O-N 3.42Å; V121-V125 HydrophobicContact CG1-CB 3.66Å; V121-V125 HydrophobicContact CG1-CG1 3.52Å; V121-I126 HydrophobicContact CB-CD1 4.31Å; V121-I126 HydrophobicContact CB-CG1 4.07Å; V121-I126 HydrophobicContact CG1-CG1 3.86Å
122	S	92.4	Very high	94.1	Very high	57 Å²	57	61.9 Å²	61.9	40%	0.399	30%	0.296	S	S	.	.			trans	-66.1	147	179.1	70.1	0	0	0	0	111.9	D124 V125 I126	S122-D124 PolarHBondContact O-N 2.87Å; S122-V125 PolarHBondContact O-N 3.42Å; S122-V125 VanDerWaalsContact OG-CG2 3.28Å; S122-V125 WeakPolarHBondContact OG-CG2 3.39Å; S122-V125 PolarHBondContact OG-N 3.04Å; S122-I126 PolarHBondContact O-N 3.43Å; S122-I126 VanDerWaalsContact O-N 3.15Å
123	P	93.1	Very high	94.1	Very high	27 Å²	27	63.6 Å²	63.6	18%	0.175	31%	0.305	C	S	.	.	H	α-helix	trans	-53	-38.9	175.5	-29.7	35.3	0	0	0	114	I112 I126 S127 P226	I112-P123 HydrophobicContact CG2-CB 3.99Å; P123-I126 PolarHBondContact O-N 2.73Å; P123-S127 WeakPolarHBondContact O-CB 3.38Å; P123-S127 PolarHBondContact O-N 3.33Å; P123-S127 PolarHBondContact O-OG 2.92Å; P123-P226 HydrophobicContact CB-CG 4.31Å; P123-P226 HydrophobicContact CG-CG 3.83Å
124	D	91.6	Very high	94.3	Very high	84 Å²	84	63.7 Å²	63.7	45%	0.449	31%	0.305	S	S	.	.	H	α-helix	trans	-60.2	-52.9	177.2	174.9	-104.4	0	0	0	110.6	S122 I126 S127 R128	S122-D124 PolarHBondContact O-N 2.87Å; D124-I126 VanDerWaalsContact C-N 3.32Å; D124-I126 PolarHBondContact O-N 3Å; D124-S127 PolarHBondContact O-N 2.7Å; D124-S127 VanDerWaalsContact O-N 3.11Å; D124-S127 PolarHBondContact O-OG 2.95Å; D124-R128 VanDerWaalsContact O-CG 3.25Å; D124-R128 WeakPolarHBondContact O-CG 3.39Å; D124-R128 PolarHBondContact O-N 3.39Å; D124-R128 IonicContact OD2-NE 2.69Å; D124-R128 PolarHBondContact OD2-NE 3.21Å
125	V	92.8	Very high	94.5	Very high	75 Å²	75	58.2 Å²	58.2	46%	0.455	29%	0.285	S	S	.	.	H	α-helix	trans	-59.2	-43.3	-179.6	171.2	0	0	0	0	111.7	V121 S122 M129	V121-V125 HydrophobicContact CG1-CB 3.66Å; V121-V125 HydrophobicContact CG1-CG1 3.52Å; S122-V125 PolarHBondContact O-N 3.42Å; S122-V125 VanDerWaalsContact OG-CG2 3.28Å; S122-V125 WeakPolarHBondContact OG-CG2 3.39Å; S122-V125 PolarHBondContact OG-N 3.04Å; V125-M129 WeakPolarHBondContact O-CB 3.3Å; V125-M129 PolarHBondContact O-N 3.45Å
126	I	94	Very high	94.6	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-58.7	-51	175.4	-70.3	-164.1	0	0	0	110.9	I112 R115 S116 E119 V121 S122 P123 D124 R128 M129 Y130	I112-I126 HydrophobicContact CG2-CG2 4.41Å; R115-I126 HydrophobicContact CB-CD1 4.14Å; R115-I126 HydrophobicContact CG-CD1 3.79Å; R115-I126 HydrophobicContact CG-CG2 4.41Å; S116-I126 VanDerWaalsContact CA-CD1 3.45Å; E119-I126 HydrophobicContact CB-CD1 4.45Å; V121-I126 HydrophobicContact CB-CD1 4.31Å; V121-I126 HydrophobicContact CB-CG1 4.07Å; V121-I126 HydrophobicContact CG1-CG1 3.86Å; S122-I126 PolarHBondContact O-N 3.43Å; S122-I126 VanDerWaalsContact O-N 3.15Å; P123-I126 PolarHBondContact O-N 2.73Å; D124-I126 VanDerWaalsContact C-N 3.32Å; D124-I126 PolarHBondContact O-N 3Å; I126-R128 PolarHBondContact O-N 2.87Å; I126-M129 PolarHBondContact O-N 2.86Å; I126-Y130 HydrophobicContact CG2-CD2 3.74Å; I126-Y130 HydrophobicContact CG2-CE2 3.87Å; I126-Y130 VanDerWaalsContact O-CD2 3.26Å; I126-Y130 WeakPolarHBondContact O-CD2 3.49Å; I126-Y130 PolarHBondContact O-N 3.4Å; I126-Y130 VanDerWaalsContact O-N 3.1Å
127	S	95.9	Very high	94.8	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-42.8	-176.7	68.9	0	0	0	0	112.5	V69 P123 D124 E131	V69-S127 WeakPolarHBondContact CG2-O 3.24Å; V69-S127 WeakPolarHBondContact O-CA 3.33Å; P123-S127 WeakPolarHBondContact O-CB 3.38Å; P123-S127 PolarHBondContact O-N 3.33Å; P123-S127 PolarHBondContact O-OG 2.92Å; D124-S127 PolarHBondContact O-N 2.7Å; D124-S127 VanDerWaalsContact O-N 3.11Å; D124-S127 PolarHBondContact O-OG 2.95Å; S127-E131 WeakPolarHBondContact O-CB 3.41Å; S127-E131 PolarHBondContact O-N 3.35Å
128	R	95.4	Very high	95	Very high	72 Å²	72	52.8 Å²	52.8	27%	0.272	27%	0.271	S	S	.	.	H	α-helix	trans	-65.1	-43.2	178.4	-62.8	-60.5	176.4	164	-8.8	111.9	D124 I126 E131 E132 R151 E154	D124-R128 VanDerWaalsContact O-CG 3.25Å; D124-R128 WeakPolarHBondContact O-CG 3.39Å; D124-R128 PolarHBondContact O-N 3.39Å; D124-R128 IonicContact OD2-NE 2.69Å; D124-R128 PolarHBondContact OD2-NE 3.21Å; I126-R128 PolarHBondContact O-N 2.87Å; R128-E131 PolarHBondContact O-N 3.06Å; R128-E132 WeakPolarHBondContact O-CG 3.21Å; R128-E132 PolarHBondContact O-N 3.45Å; R128-E132 VanDerWaalsContact O-N 3.09Å; R128-R151 VanDerWaalsContact NH1-CD 3.25Å; R128-E154 IonicContact CZ-OE1 3.87Å; R128-E154 IonicContact NH1-OE1 3.56Å; R128-E154 PolarHBondContact NH1-OE1 3.44Å; R128-E154 IonicContact NH2-OE1 2.67Å; R128-E154 PolarHBondContact NH2-OE1 3.34Å
129	M	95.6	Very high	95.2	Very high	92 Å²	92	51.8 Å²	51.8	45%	0.453	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-52.6	178.4	-178.8	-177.5	68.7	0	0	111.4	V125 I126 E131 E132 E133	V125-M129 WeakPolarHBondContact O-CB 3.3Å; V125-M129 PolarHBondContact O-N 3.45Å; I126-M129 PolarHBondContact O-N 2.86Å; M129-E131 VanDerWaalsContact C-N 3.34Å; M129-E131 PolarHBondContact O-N 2.84Å; M129-E132 PolarHBondContact O-N 3.47Å; M129-E133 PolarHBondContact O-N 3.25Å
130	Y	96.3	Very high	95.4	Very high	13 Å²	13	51.2 Å²	51.2	5%	0.051	27%	0.273	C	S	.	.	H	α-helix	trans	-74	-23.5	-178.4	-71	-61.9	0	0	0	113.4	Y70 D71 H72 I126 F134	Y70-Y130 VanDerWaalsContact O-CE2 3.31Å; Y70-Y130 WeakPolarHBondContact O-CE2 3.28Å; D71-Y130 VanDerWaalsContact C-CD1 3.42Å; H72-Y130 AromaticContact CE1-CE1 3.8Å; H72-Y130 AromaticContact ND1-CE1 3.89Å; H72-Y130 AromaticContact NE2-CE1 3.97Å; I126-Y130 HydrophobicContact CG2-CD2 3.74Å; I126-Y130 HydrophobicContact CG2-CE2 3.87Å; I126-Y130 VanDerWaalsContact O-CD2 3.26Å; I126-Y130 WeakPolarHBondContact O-CD2 3.49Å; I126-Y130 PolarHBondContact O-N 3.4Å; I126-Y130 VanDerWaalsContact O-N 3.1Å; Y130-F134 VanDerWaalsContact O-CB 3.23Å; Y130-F134 WeakPolarHBondContact O-CB 3.44Å; Y130-F134 PolarHBondContact O-N 2.87Å
131	E	97.6	Very high	95.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-50.4	169.3	179.4	-168.6	161.8	0	0	111.5	V69 I105 S127 R128 M129 E133 F134 K135 R151	V69-E131 HydrophobicContact CB-CB 4.45Å; V69-E131 HydrophobicContact CG1-CB 4.01Å; I105-E131 HydrophobicContact CG1-CG 4.29Å; I105-E131 HydrophobicContact CG2-CB 4.33Å; I105-E131 HydrophobicContact CG2-CG 3.97Å; S127-E131 WeakPolarHBondContact O-CB 3.41Å; S127-E131 PolarHBondContact O-N 3.35Å; R128-E131 PolarHBondContact O-N 3.06Å; M129-E131 VanDerWaalsContact C-N 3.34Å; M129-E131 PolarHBondContact O-N 2.84Å; E131-E133 VanDerWaalsContact C-N 3.33Å; E131-F134 WeakPolarHBondContact O-CB 3.45Å; E131-F134 PolarHBondContact O-N 3.47Å; E131-K135 WeakPolarHBondContact O-CG 3.12Å; E131-K135 PolarHBondContact O-N 2.85Å; E131-K135 VanDerWaalsContact OE1-CE 3.26Å; E131-K135 WeakPolarHBondContact OE1-CE 3.42Å; E131-K135 IonicContact OE1-NZ 2.74Å; E131-K135 PolarHBondContact OE1-NZ 3.08Å; E131-R151 IonicContact OE1-CZ 2.88Å; E131-R151 VanDerWaalsContact OE1-CZ 3.23Å; E131-R151 IonicContact OE1-NE 2.77Å; E131-R151 PolarHBondContact OE1-NE 3.05Å; E131-R151 IonicContact OE1-NH2 2.9Å; E131-R151 PolarHBondContact OE1-NH2 3.49Å; E131-R151 IonicContact OE2-CZ 3.97Å; E131-R151 IonicContact OE2-NE 3.4Å; E131-R151 PolarHBondContact OE2-NE 3.42Å; E131-R151 IonicContact OE2-NH2 3.69Å; E131-R151 PolarHBondContact OE2-NH2 3.02Å
132	E	96.5	Very high	95.8	Very high	92 Å²	92	44 Å²	44	43%	0.43	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-40.1	179.7	-69.2	-53.9	128.5	0	0	111.2	R128 M129 F134 K135 I136	R128-E132 WeakPolarHBondContact O-CG 3.21Å; R128-E132 PolarHBondContact O-N 3.45Å; R128-E132 VanDerWaalsContact O-N 3.09Å; M129-E132 PolarHBondContact O-N 3.47Å; E132-F134 PolarHBondContact O-N 3.19Å; E132-K135 PolarHBondContact O-N 3.44Å; E132-K135 IonicContact OE1-NZ 2.72Å; E132-K135 PolarHBondContact OE1-NZ 3.21Å; E132-I136 WeakPolarHBondContact O-CG1 3.24Å; E132-I136 PolarHBondContact O-N 3.26Å
133	E	95.9	Very high	96.1	Very high	37 Å²	37	42.1 Å²	42.1	17%	0.173	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-43.7	173.1	-172.6	174.4	-173.8	0	0	112.2	H72 M129 E131 K135 I136 D137	H72-E133 IonicContact CE1-OE1 3.15Å; H72-E133 PolarHBondContact CE1-OE1 3.04Å; H72-E133 VanDerWaalsContact CE1-OE1 3.23Å; H72-E133 IonicContact CE1-OE2 2.72Å; H72-E133 PolarHBondContact CE1-OE2 3.19Å; H72-E133 IonicContact CG-OE1 2.64Å; H72-E133 IonicContact ND1-OE1 3.04Å; H72-E133 PolarHBondContact ND1-OE1 3.5Å; H72-E133 IonicContact ND1-OE2 3.03Å; H72-E133 PolarHBondContact ND1-OE2 3.21Å; M129-E133 PolarHBondContact O-N 3.25Å; E131-E133 VanDerWaalsContact C-N 3.33Å; E133-K135 VanDerWaalsContact C-N 3.3Å; E133-K135 PolarHBondContact O-N 3.2Å; E133-I136 PolarHBondContact O-N 3.02Å; E133-D137 WeakPolarHBondContact O-CB 3.33Å; E133-D137 PolarHBondContact O-N 2.93Å
134	F	97.6	Very high	96.2	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-57.1	-43.7	174.6	167.2	-103.7	0	0	0	111.9	P67 A73 Y81 M103 I105 Y130 E131 E132 D137 M138 Y149	P67-F134 HydrophobicContact CB-CD2 4.35Å; P67-F134 HydrophobicContact CB-CE2 4.41Å; P67-F134 HydrophobicContact CG-CD1 3.67Å; P67-F134 HydrophobicContact CG-CD2 3.91Å; P67-F134 HydrophobicContact CG-CE1 3.72Å; P67-F134 HydrophobicContact CG-CE2 3.97Å; P67-F134 HydrophobicContact CG-CG 3.75Å; P67-F134 HydrophobicContact CG-CZ 3.87Å; A73-F134 HydrophobicContact CB-CD2 4.16Å; Y81-F134 AromaticContact CD2-CE2 3.85Å; Y81-F134 HydrophobicContact CD2-CE2 3.85Å; Y81-F134 HydrophobicContact CD2-CZ 4.15Å; Y81-F134 HydrophobicContact CE1-CZ 4.37Å; Y81-F134 AromaticContact CE2-CE2 3.44Å; Y81-F134 HydrophobicContact CE2-CE2 3.44Å; Y81-F134 VanDerWaalsContact CE2-CE2 3.44Å; Y81-F134 AromaticContact CE2-CZ 3.74Å; Y81-F134 HydrophobicContact CE2-CZ 3.74Å; Y81-F134 AromaticContact CZ-CZ 3.86Å; M103-F134 HydrophobicContact SD-CE1 4.05Å; M103-F134 HydrophobicContact SD-CZ 4.18Å; I105-F134 HydrophobicContact CD1-CD1 4.37Å; I105-F134 HydrophobicContact CD1-CE1 4.31Å; Y130-F134 VanDerWaalsContact O-CB 3.23Å; Y130-F134 WeakPolarHBondContact O-CB 3.44Å; Y130-F134 PolarHBondContact O-N 2.87Å; E131-F134 WeakPolarHBondContact O-CB 3.45Å; E131-F134 PolarHBondContact O-N 3.47Å; E132-F134 PolarHBondContact O-N 3.19Å; F134-D137 PolarHBondContact O-N 3.28Å; F134-M138 HydrophobicContact CD2-CE 4.22Å; F134-M138 HydrophobicContact CD2-CG 4.09Å; F134-M138 HydrophobicContact CE1-CG 4.07Å; F134-M138 HydrophobicContact CE2-CE 3.89Å; F134-M138 HydrophobicContact CE2-CG 3.59Å; F134-M138 HydrophobicContact CE2-SD 3.77Å; F134-M138 HydrophobicContact CZ-CG 3.59Å; F134-M138 HydrophobicContact CZ-SD 4.07Å; F134-M138 VanDerWaalsContact O-CG 3.29Å; F134-M138 WeakPolarHBondContact O-CG 3.43Å; F134-M138 PolarHBondContact O-N 2.63Å; F134-Y149 HydrophobicContact CE1-CE1 4.33Å
135	K	97.1	Very high	96.5	Very high	36 Å²	36	42.3 Å²	42.3	16%	0.157	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-43.9	177.2	-69.3	171.8	-171.4	163	0	111.6	E131 E132 E133 M138 L139 Y149	E131-K135 WeakPolarHBondContact O-CG 3.12Å; E131-K135 PolarHBondContact O-N 2.85Å; E131-K135 VanDerWaalsContact OE1-CE 3.26Å; E131-K135 WeakPolarHBondContact OE1-CE 3.42Å; E131-K135 IonicContact OE1-NZ 2.74Å; E131-K135 PolarHBondContact OE1-NZ 3.08Å; E132-K135 PolarHBondContact O-N 3.44Å; E132-K135 IonicContact OE1-NZ 2.72Å; E132-K135 PolarHBondContact OE1-NZ 3.21Å; E133-K135 VanDerWaalsContact C-N 3.3Å; E133-K135 PolarHBondContact O-N 3.2Å; K135-M138 PolarHBondContact O-N 3.28Å; K135-L139 VanDerWaalsContact O-CG 3.32Å; K135-L139 WeakPolarHBondContact O-CG 3.41Å; K135-L139 PolarHBondContact O-N 2.99Å; K135-Y149 HydrophobicContact CG-CE2 4.4Å
136	I	96.8	Very high	96.7	Very high	100 Å²	100	39.3 Å²	39.3	51%	0.513	20%	0.202	S	C	.	.	H	α-helix	trans	-60.8	-48.3	176.6	-68.7	165.5	0	0	0	110.2	E132 E133 M138 L139 S140	E132-I136 WeakPolarHBondContact O-CG1 3.24Å; E132-I136 PolarHBondContact O-N 3.26Å; E133-I136 PolarHBondContact O-N 3.02Å; I136-M138 VanDerWaalsContact C-N 3.33Å; I136-M138 PolarHBondContact O-N 2.77Å; I136-L139 WeakPolarHBondContact O-CB 3.3Å; I136-L139 PolarHBondContact O-N 3.42Å; I136-S140 PolarHBondContact O-N 3.47Å; I136-S140 PolarHBondContact O-OG 3.13Å; I136-S140 VanDerWaalsContact O-OG 3.12Å
137	D	96.9	Very high	96.8	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.053	24%	0.235	C	C	.	.	H	α-helix	trans	-57.3	-44.4	177.7	-83.7	-12.3	0	0	0	112.1	E133 F134 S140 L141 I314	E133-D137 WeakPolarHBondContact O-CB 3.33Å; E133-D137 PolarHBondContact O-N 2.93Å; F134-D137 PolarHBondContact O-N 3.28Å; D137-S140 PolarHBondContact O-N 3.04Å; D137-L141 WeakPolarHBondContact O-CG 3.34Å; D137-L141 PolarHBondContact O-N 3.33Å; D137-L141 VanDerWaalsContact O-N 3.13Å; D137-I314 HydrophobicContact CB-CB 4.21Å; D137-I314 HydrophobicContact CB-CD1 3.74Å; D137-I314 HydrophobicContact CB-CG2 4.11Å
138	M	97.9	Very high	96.8	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-44	177.2	-70.7	-51.6	94.8	0	0	111.4	Y81 F134 K135 I136 L141 K142 V143 I314	Y81-M138 VanDerWaalsContact CB-SD 3.59Å; Y81-M138 HydrophobicContact CD2-CE 4.25Å; Y81-M138 HydrophobicContact CD2-SD 3.63Å; Y81-M138 HydrophobicContact CG-SD 3.81Å; F134-M138 HydrophobicContact CD2-CE 4.22Å; F134-M138 HydrophobicContact CD2-CG 4.09Å; F134-M138 HydrophobicContact CE1-CG 4.07Å; F134-M138 HydrophobicContact CE2-CE 3.89Å; F134-M138 HydrophobicContact CE2-CG 3.59Å; F134-M138 HydrophobicContact CE2-SD 3.77Å; F134-M138 HydrophobicContact CZ-CG 3.59Å; F134-M138 HydrophobicContact CZ-SD 4.07Å; F134-M138 VanDerWaalsContact O-CG 3.29Å; F134-M138 WeakPolarHBondContact O-CG 3.43Å; F134-M138 PolarHBondContact O-N 2.63Å; K135-M138 PolarHBondContact O-N 3.28Å; I136-M138 VanDerWaalsContact C-N 3.33Å; I136-M138 PolarHBondContact O-N 2.77Å; M138-L141 HydrophobicContact CE-CD1 4.33Å; M138-L141 CarbonylContact O-C 3.59Å; M138-L141 PolarHBondContact O-N 3.27Å; M138-L141 VanDerWaalsContact O-N 3.17Å; M138-K142 PolarHBondContact O-N 2.93Å; M138-V143 HydrophobicContact CB-CB 4.04Å; M138-V143 HydrophobicContact CB-CG1 4.3Å; M138-V143 WeakPolarHBondContact O-CB 3.38Å; M138-V143 PolarHBondContact O-N 2.89Å; M138-V143 HydrophobicContact SD-CG2 4.24Å; M138-I314 HydrophobicContact CE-CD1 3.46Å; M138-I314 VanDerWaalsContact CE-CD1 3.46Å
139	L	97.2	Very high	96.8	Very high	101 Å²	101	44.5 Å²	44.5	53%	0.529	25%	0.245	S	C	.	.	H	α-helix	trans	-63.1	-41	175.5	-71.3	171.9	0	0	0	112	K135 I136 L141 K142 P145	K135-L139 VanDerWaalsContact O-CG 3.32Å; K135-L139 WeakPolarHBondContact O-CG 3.41Å; K135-L139 PolarHBondContact O-N 2.99Å; I136-L139 WeakPolarHBondContact O-CB 3.3Å; I136-L139 PolarHBondContact O-N 3.42Å; L139-L141 PolarHBondContact O-N 3.35Å; L139-K142 WeakPolarHBondContact O-CA 3.3Å; L139-K142 PolarHBondContact O-N 3.13Å; L139-P145 HydrophobicContact CD2-CG 3.8Å
140	S	96.4	Very high	96.9	Very high	57 Å²	57	41.2 Å²	41.2	40%	0.399	23%	0.229	S	C	.	.	H	α-helix	trans	-61.1	-28.6	175.3	-63.6	0	0	0	0	112.6	I136 D137 K142 A323	I136-S140 PolarHBondContact O-N 3.47Å; I136-S140 PolarHBondContact O-OG 3.13Å; I136-S140 VanDerWaalsContact O-OG 3.12Å; D137-S140 PolarHBondContact O-N 3.04Å; S140-K142 VanDerWaalsContact C-N 3.32Å; S140-A323 VanDerWaalsContact O-CB 3.31Å; S140-A323 WeakPolarHBondContact O-CB 3.22Å
141	L	97.1	Very high	96.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	8.6	172.5	-64.1	176.6	0	0	0	114.1	A78 V82 D137 M138 L139 V143 I314 L318 A323 F326 R327	A78-L141 HydrophobicContact CB-CD1 3.56Å; V82-L141 HydrophobicContact CG2-CB 4.02Å; V82-L141 HydrophobicContact CG2-CD1 4.2Å; D137-L141 WeakPolarHBondContact O-CG 3.34Å; D137-L141 PolarHBondContact O-N 3.33Å; D137-L141 VanDerWaalsContact O-N 3.13Å; M138-L141 HydrophobicContact CE-CD1 4.33Å; M138-L141 CarbonylContact O-C 3.59Å; M138-L141 PolarHBondContact O-N 3.27Å; M138-L141 VanDerWaalsContact O-N 3.17Å; L139-L141 PolarHBondContact O-N 3.35Å; L141-V143 HydrophobicContact CB-CG2 4.32Å; L141-V143 PolarHBondContact O-N 3.28Å; L141-I314 HydrophobicContact CD1-CD1 3.94Å; L141-I314 HydrophobicContact CD1-CG1 4.21Å; L141-I314 HydrophobicContact CD1-CG2 3.79Å; L141-I314 HydrophobicContact CD2-CG2 4.21Å; L141-I314 HydrophobicContact CG-CG2 3.9Å; L141-L318 HydrophobicContact CD2-CD1 4.44Å; L141-L318 HydrophobicContact CD2-CD2 4.08Å; L141-A323 HydrophobicContact CD2-CB 4.47Å; L141-F326 HydrophobicContact CD1-CD1 4.41Å; L141-F326 HydrophobicContact CD1-CE1 4.34Å; L141-F326 HydrophobicContact CD2-CD1 3.99Å; L141-R327 PolarHBondContact O-NH1 3.14Å; L141-R327 VanDerWaalsContact O-NH1 3.08Å
142	K	97.3	Very high	96.8	Very high	58 Å²	58	42.9 Å²	42.9	25%	0.252	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	24.6	-179.3	-50.1	-174.1	-179.2	-170.1	0	114.2	R89 M138 L139 S140 V144 A323 E324 R327 G451	R89-K142 PolarHBondContact NH2-O 3.4Å; M138-K142 PolarHBondContact O-N 2.93Å; L139-K142 WeakPolarHBondContact O-CA 3.3Å; L139-K142 PolarHBondContact O-N 3.13Å; S140-K142 VanDerWaalsContact C-N 3.32Å; K142-V144 PolarHBondContact O-N 2.77Å; K142-A323 HydrophobicContact CG-CB 4.46Å; K142-E324 WeakPolarHBondContact CE-OE1 3.37Å; K142-E324 IonicContact NZ-OE1 3.05Å; K142-E324 PolarHBondContact NZ-OE1 3.35Å; K142-R327 PolarHBondContact O-NH1 3.2Å; K142-G451 WeakPolarHBondContact CD-O 3.23Å
143	V	98.2	Very high	96.8	Very high	17 Å²	17	40.2 Å²	40.2	10%	0.103	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-69.6	128.1	172.1	172.3	0	0	0	0	108.3	V82 D85 M138 L141 P145	V82-V143 HydrophobicContact CG2-CG2 3.74Å; D85-V143 HydrophobicContact CB-CB 4.46Å; D85-V143 HydrophobicContact CB-CG1 4.14Å; D85-V143 HydrophobicContact CB-CG2 4.32Å; M138-V143 HydrophobicContact CB-CB 4.04Å; M138-V143 HydrophobicContact CB-CG1 4.3Å; M138-V143 WeakPolarHBondContact O-CB 3.38Å; M138-V143 PolarHBondContact O-N 2.89Å; M138-V143 HydrophobicContact SD-CG2 4.24Å; L141-V143 HydrophobicContact CB-CG2 4.32Å; L141-V143 PolarHBondContact O-N 3.28Å; V143-P145 WeakPolarHBondContact O-CD 3.49Å
144	V	96.2	Very high	96.8	Very high	55 Å²	55	43.2 Å²	43.2	33%	0.333	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-68.5	127.3	173.8	179.7	0	0	0	0	108.6	D85 R89 K142	D85-V144 WeakPolarHBondContact OD1-CB 3.29Å; D85-V144 WeakPolarHBondContact OD1-CG2 3.27Å; D85-V144 PolarHBondContact OD1-N 2.84Å; R89-V144 VanDerWaalsContact NH2-CG2 3.31Å; K142-V144 PolarHBondContact O-N 2.77Å
145	P	97.2	Very high	96.7	Very high	60 Å²	60	43.5 Å²	43.5	39%	0.39	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-59.5	144.3	173.9	-24.6	34.8	0	0	0	111.8	L139 V143 Y149	L139-P145 HydrophobicContact CD2-CG 3.8Å; V143-P145 WeakPolarHBondContact O-CD 3.49Å; P145-Y149 HydrophobicContact CB-CE2 4.31Å
146	P	97.3	Very high	96.7	Very high	12 Å²	12	42.4 Å²	42.4	8%	0.078	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-57.9	156.7	167.4	28.8	-34.1	0	0	0	110	H101 M103 V148 Y149	H101-P146 HydrophobicContact CB-CB 4.34Å; H101-P146 CarbonylContact O-C 3.53Å; H101-P146 WeakPolarHBondContact O-CB 3.31Å; M103-P146 HydrophobicContact CB-CB 4.2Å; M103-P146 HydrophobicContact CB-CG 3.91Å; P146-V148 PolarHBondContact O-N 3.16Å; P146-Y149 WeakPolarHBondContact CD-OH 3.28Å; P146-Y149 HydrophobicContact CG-CD1 3.74Å; P146-Y149 HydrophobicContact CG-CD2 4Å; P146-Y149 HydrophobicContact CG-CE1 3.41Å; P146-Y149 VanDerWaalsContact CG-CE1 3.41Å; P146-Y149 HydrophobicContact CG-CE2 3.69Å; P146-Y149 HydrophobicContact CG-CG 4.05Å; P146-Y149 VanDerWaalsContact CG-CZ 3.41Å
147	A	96.3	Very high	96.7	Very high	83 Å²	83	43.2 Å²	43.2	69%	0.686	24%	0.238	S	C	*	.	S	Bend	trans	-61.2	-28.8	175.3	0	0	0	0	0	111.9	H101	H101-A147 WeakPolarHBondContact O-CB 3.18Å; H101-A147 PolarHBondContact O-N 3.24Å
148	V	95.6	Very high	96.7	Very high	44 Å²	44	45 Å²	45	27%	0.267	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	138	174.9	69.7	0	0	0	0	111.8	A102 M103 P146 L150 M250	A102-V148 HydrophobicContact CB-CG1 3.59Å; M103-V148 PolarHBondContact N-O 3.16Å; M103-V148 VanDerWaalsContact N-O 3.08Å; P146-V148 PolarHBondContact O-N 3.16Å; V148-L150 HydrophobicContact CG1-CD1 3.93Å; V148-L150 HydrophobicContact CG1-CG 4.31Å; V148-L150 HydrophobicContact CG2-CD1 4.43Å; V148-L150 HydrophobicContact CG2-CD2 4.2Å; V148-L150 HydrophobicContact CG2-CG 4Å; V148-M250 HydrophobicContact CG1-CE 3.71Å; V148-M250 HydrophobicContact CG1-SD 4.31Å
149	Y	96.9	Very high	96.8	Very high	56 Å²	56	44.7 Å²	44.7	22%	0.22	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.6	162.5	-68	-80.1	0	0	0	108.9	M103 I105 F134 K135 P145 P146	M103-Y149 HydrophobicContact CB-CD1 4.23Å; M103-Y149 HydrophobicContact CB-CE1 4.45Å; M103-Y149 HydrophobicContact CG-CD1 4.47Å; M103-Y149 WeakPolarHBondContact O-CA 3.39Å; M103-Y149 HydrophobicContact SD-CD1 4.25Å; M103-Y149 HydrophobicContact SD-CE1 3.8Å; I105-Y149 HydrophobicContact CD1-CD1 3.71Å; I105-Y149 HydrophobicContact CD1-CE1 4.14Å; I105-Y149 HydrophobicContact CG1-CD1 3.93Å; I105-Y149 HydrophobicContact CG1-CG 4.48Å; F134-Y149 HydrophobicContact CE1-CE1 4.33Å; K135-Y149 HydrophobicContact CG-CE2 4.4Å; P145-Y149 HydrophobicContact CB-CE2 4.31Å; P146-Y149 WeakPolarHBondContact CD-OH 3.28Å; P146-Y149 HydrophobicContact CG-CD1 3.74Å; P146-Y149 HydrophobicContact CG-CD2 4Å; P146-Y149 HydrophobicContact CG-CE1 3.41Å; P146-Y149 VanDerWaalsContact CG-CE1 3.41Å; P146-Y149 HydrophobicContact CG-CE2 3.69Å; P146-Y149 HydrophobicContact CG-CG 4.05Å; P146-Y149 VanDerWaalsContact CG-CZ 3.41Å
150	L	95.9	Very high	96.8	Very high	24 Å²	24	40.7 Å²	40.7	13%	0.126	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.8	-179.5	-71.3	155.9	0	0	0	108.9	M103 V104 I105 V148 V246 M250	M103-L150 PolarHBondContact O-N 2.9Å; V104-L150 CarbonylContact C-O 3.6Å; V104-L150 VanDerWaalsContact CA-O 3.23Å; V104-L150 WeakPolarHBondContact CA-O 3.23Å; V104-L150 WeakPolarHBondContact CG2-O 3.27Å; I105-L150 PolarHBondContact N-O 3.2Å; V148-L150 HydrophobicContact CG1-CD1 3.93Å; V148-L150 HydrophobicContact CG1-CG 4.31Å; V148-L150 HydrophobicContact CG2-CD1 4.43Å; V148-L150 HydrophobicContact CG2-CD2 4.2Å; V148-L150 HydrophobicContact CG2-CG 4Å; L150-V246 HydrophobicContact CB-CG1 3.51Å; L150-V246 HydrophobicContact CB-CG2 4.38Å; L150-V246 HydrophobicContact CD1-CG1 3.35Å; L150-V246 HydrophobicContact CG-CG1 4Å; L150-M250 HydrophobicContact CD1-CG 3.41Å; L150-M250 VanDerWaalsContact CD1-CG 3.41Å; L150-M250 HydrophobicContact CD1-SD 3.73Å
151	R	96.9	Very high	96.9	Very high	46 Å²	46	41.3 Å²	41.3	17%	0.174	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	144.7	178.9	-66.3	-179.9	-165	110.8	-3	111	I105 D107 R128 E131 E154 N155	I105-R151 HydrophobicContact CB-CG 4.21Å; D107-R151 WeakPolarHBondContact OD2-CB 3.46Å; R128-R151 VanDerWaalsContact NH1-CD 3.25Å; E131-R151 IonicContact OE1-CZ 2.88Å; E131-R151 VanDerWaalsContact OE1-CZ 3.23Å; E131-R151 IonicContact OE1-NE 2.77Å; E131-R151 PolarHBondContact OE1-NE 3.05Å; E131-R151 IonicContact OE1-NH2 2.9Å; E131-R151 PolarHBondContact OE1-NH2 3.49Å; E131-R151 IonicContact OE2-CZ 3.97Å; E131-R151 IonicContact OE2-NE 3.4Å; E131-R151 PolarHBondContact OE2-NE 3.42Å; E131-R151 IonicContact OE2-NH2 3.69Å; E131-R151 PolarHBondContact OE2-NH2 3.02Å; R151-E154 HydrophobicContact CB-CB 4.17Å; R151-E154 HydrophobicContact CB-CG 4.11Å; R151-E154 WeakPolarHBondContact CD-OE1 3.37Å; R151-E154 IonicContact CZ-OE1 3.13Å; R151-E154 IonicContact NE-OE1 3.34Å; R151-E154 IonicContact NH1-OE1 3.91Å; R151-E154 PolarHBondContact NH1-OE1 3.23Å; R151-E154 IonicContact NH1-OE2 3.23Å; R151-E154 PolarHBondContact NH1-OE2 3.01Å; R151-E154 PolarHBondContact O-N 2.9Å; R151-N155 PolarHBondContact O-N 2.84Å; R151-N155 PolarHBondContact O-ND2 3.35Å
152	V	96.8	Very high	97	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-44.3	179.6	-179.6	0	0	0	0	110.5	V104 I105 D107 I108 E154 N155 M156 I159 P237 E242	V104-V152 HydrophobicContact CG2-CG2 3.83Å; I105-V152 WeakPolarHBondContact O-CG2 3.45Å; I105-V152 PolarHBondContact O-N 2.84Å; D107-V152 WeakPolarHBondContact OD1-CA 3.49Å; D107-V152 WeakPolarHBondContact OD1-CB 3.29Å; D107-V152 PolarHBondContact OD1-N 3.47Å; I108-V152 HydrophobicContact CG2-CB 3.94Å; I108-V152 HydrophobicContact CG2-CG1 3.58Å; V152-E154 PolarHBondContact O-N 2.91Å; V152-N155 PolarHBondContact O-N 3.22Å; V152-M156 PolarHBondContact O-N 3.2Å; V152-I159 HydrophobicContact CG1-CD1 3.73Å; V152-P237 HydrophobicContact CG1-CG 4.04Å; V152-E242 HydrophobicContact CB-CB 4.37Å; V152-E242 HydrophobicContact CG1-CB 3.86Å; V152-E242 HydrophobicContact CG2-CB 3.63Å; V152-E242 HydrophobicContact CG2-CG 3.71Å
153	T	95.8	Very high	97	Very high	37 Å²	37	38.9 Å²	38.9	23%	0.227	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-62.9	-30.8	-179	65	0	0	0	0	113.2	D107 I108 N155 W228	D107-T153 PolarHBondContact OD1-N 3.03Å; D107-T153 WeakPolarHBondContact OD2-CB 3.49Å; D107-T153 VanDerWaalsContact OD2-CG2 3.28Å; D107-T153 WeakPolarHBondContact OD2-CG2 3.38Å; D107-T153 PolarHBondContact OD2-OG1 3.32Å; I108-T153 HydrophobicContact CB-CG2 3.99Å; I108-T153 HydrophobicContact CG2-CG2 3.98Å; T153-N155 VanDerWaalsContact C-N 3.33Å; T153-W228 HydrophobicContact CG2-CH2 3.94Å; T153-W228 HydrophobicContact CG2-CZ2 3.74Å
154	E	95.8	Very high	97	Very high	100 Å²	100	41.1 Å²	41.1	47%	0.467	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-79.9	-14.9	177.9	-67.9	169.8	-174.5	0	0	112.7	R128 R151 V152	R128-E154 IonicContact CZ-OE1 3.87Å; R128-E154 IonicContact NH1-OE1 3.56Å; R128-E154 PolarHBondContact NH1-OE1 3.44Å; R128-E154 IonicContact NH2-OE1 2.67Å; R128-E154 PolarHBondContact NH2-OE1 3.34Å; R151-E154 HydrophobicContact CB-CB 4.17Å; R151-E154 HydrophobicContact CB-CG 4.11Å; R151-E154 WeakPolarHBondContact CD-OE1 3.37Å; R151-E154 IonicContact CZ-OE1 3.13Å; R151-E154 IonicContact NE-OE1 3.34Å; R151-E154 IonicContact NH1-OE1 3.91Å; R151-E154 PolarHBondContact NH1-OE1 3.23Å; R151-E154 IonicContact NH1-OE2 3.23Å; R151-E154 PolarHBondContact NH1-OE2 3.01Å; R151-E154 PolarHBondContact O-N 2.9Å; V152-E154 PolarHBondContact O-N 2.91Å
155	N	96.4	Very high	97.2	Very high	11 Å²	11	38.6 Å²	38.6	6%	0.059	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-111.7	15.8	-176.8	-73.9	-84.2	0	0	0	113.5	R151 V152 T153 H157 H158 I159 V246	R151-N155 PolarHBondContact O-N 2.84Å; R151-N155 PolarHBondContact O-ND2 3.35Å; V152-N155 PolarHBondContact O-N 3.22Å; T153-N155 VanDerWaalsContact C-N 3.33Å; N155-H157 VanDerWaalsContact C-N 3.31Å; N155-H157 PolarHBondContact O-N 2.89Å; N155-H158 WeakPolarHBondContact O-CB 3.33Å; N155-H158 PolarHBondContact O-N 2.9Å; N155-H158 VanDerWaalsContact O-N 3.09Å; N155-I159 PolarHBondContact O-N 2.75Å; N155-I159 VanDerWaalsContact O-N 3.1Å; N155-V246 HydrophobicContact CB-CG2 4.28Å
156	M	96.4	Very high	97.2	Very high	13 Å²	13	35.7 Å²	35.7	6%	0.064	19%	0.191	C	C	.	.	H	α-helix	trans	-57.9	-39.6	-173.7	-166.1	63.3	51.7	0	0	114	V152 H158 I159 V160 W218 W228 P237	V152-M156 PolarHBondContact O-N 3.2Å; M156-H158 VanDerWaalsContact C-N 3.31Å; M156-H158 PolarHBondContact O-N 2.84Å; M156-I159 WeakPolarHBondContact O-CB 3.22Å; M156-I159 PolarHBondContact O-N 3.3Å; M156-V160 WeakPolarHBondContact O-CG2 3.01Å; M156-V160 PolarHBondContact O-N 3.44Å; M156-W218 HydrophobicContact CG-CH2 4.4Å; M156-W218 HydrophobicContact SD-CH2 3.73Å; M156-W218 HydrophobicContact SD-CZ3 3.57Å; M156-W218 VanDerWaalsContact SD-CZ3 3.57Å; M156-W228 HydrophobicContact CB-CG 4.35Å; M156-W228 HydrophobicContact CE-CD2 3.57Å; M156-W228 HydrophobicContact CE-CE3 3.71Å; M156-W228 HydrophobicContact CE-CG 4.09Å; M156-W228 HydrophobicContact CE-CH2 4.22Å; M156-W228 HydrophobicContact CE-CZ2 4.06Å; M156-W228 HydrophobicContact CE-CZ3 4.05Å; M156-W228 HydrophobicContact CG-CB 3.76Å; M156-W228 HydrophobicContact CG-CD2 4.08Å; M156-W228 HydrophobicContact CG-CG 3.53Å; M156-W228 HydrophobicContact SD-CB 4.32Å; M156-W228 HydrophobicContact SD-CD2 4.15Å; M156-W228 HydrophobicContact SD-CE3 4.37Å; M156-W228 HydrophobicContact SD-CG 4.12Å; M156-P237 HydrophobicContact CE-CG 3.57Å; M156-P237 VanDerWaalsContact SD-CD 3.58Å; M156-P237 HydrophobicContact SD-CG 3.52Å; M156-P237 VanDerWaalsContact SD-CG 3.52Å
157	H	96.4	Very high	97.3	Very high	118 Å²	118	37.6 Å²	37.6	55%	0.546	20%	0.2	S	C	.	.	H	α-helix	trans	-63.9	-40.6	179.6	99.5	-92.6	0	0	0	111.2	N155 I159 V160 T161	N155-H157 VanDerWaalsContact C-N 3.31Å; N155-H157 PolarHBondContact O-N 2.89Å; H157-I159 VanDerWaalsContact C-N 3.29Å; H157-I159 PolarHBondContact O-N 3.21Å; H157-V160 PolarHBondContact O-N 2.84Å; H157-T161 PolarHBondContact O-N 3.19Å; H157-T161 PolarHBondContact O-OG1 3.33Å
158	H	97.8	Very high	97.4	Very high	46 Å²	46	42 Å²	42	21%	0.213	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-39.1	175.8	-67.7	-55.9	0	0	0	110.7	N155 M156 T161 F162 T245 H249	N155-H158 WeakPolarHBondContact O-CB 3.33Å; N155-H158 PolarHBondContact O-N 2.9Å; N155-H158 VanDerWaalsContact O-N 3.09Å; M156-H158 VanDerWaalsContact C-N 3.31Å; M156-H158 PolarHBondContact O-N 2.84Å; H158-T161 PolarHBondContact O-N 3.26Å; H158-F162 VanDerWaalsContact O-CB 3.24Å; H158-F162 WeakPolarHBondContact O-CB 3.36Å; H158-F162 PolarHBondContact O-N 2.93Å; H158-T245 VanDerWaalsContact C-CG2 3.42Å; H158-T245 HydrophobicContact CB-CG2 3.65Å; H158-H249 AromaticContact CE1-CE1 3.21Å; H158-H249 PolarHBondContact CE1-CE1 2.95Å; H158-H249 AromaticContact CE1-ND1 3.46Å; H158-H249 PolarHBondContact CE1-ND1 3.23Å; H158-H249 AromaticContact CE1-NE2 3.99Å; H158-H249 AromaticContact ND1-CE1 3.92Å; H158-H249 AromaticContact ND1-ND1 3.69Å; H158-H249 AromaticContact NE2-CE1 3.37Å; H158-H249 PolarHBondContact NE2-CE1 3.32Å; H158-H249 AromaticContact NE2-ND1 3.76Å; H158-H249 AromaticContact NE2-NE2 3.69Å
159	I	98.3	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-48.3	178.3	-66.4	170	0	0	0	110.2	V152 N155 M156 H157 T161 F162 I163 P237 I241 E242 T245	V152-I159 HydrophobicContact CG1-CD1 3.73Å; N155-I159 PolarHBondContact O-N 2.75Å; N155-I159 VanDerWaalsContact O-N 3.1Å; M156-I159 WeakPolarHBondContact O-CB 3.22Å; M156-I159 PolarHBondContact O-N 3.3Å; H157-I159 VanDerWaalsContact C-N 3.29Å; H157-I159 PolarHBondContact O-N 3.21Å; I159-T161 PolarHBondContact O-N 2.86Å; I159-F162 PolarHBondContact O-N 3.29Å; I159-I163 HydrophobicContact CG2-CD1 3.84Å; I159-I163 HydrophobicContact CG2-CG1 4.43Å; I159-I163 VanDerWaalsContact O-CG1 3.27Å; I159-I163 WeakPolarHBondContact O-CG1 3.46Å; I159-I163 PolarHBondContact O-N 3.45Å; I159-P237 HydrophobicContact CD1-CB 4.29Å; I159-P237 HydrophobicContact CD1-CG 3.7Å; I159-P237 HydrophobicContact CG2-CB 4.26Å; I159-P237 HydrophobicContact CG2-CG 4.07Å; I159-I241 HydrophobicContact CG2-CG1 4.22Å; I159-I241 HydrophobicContact CG2-CG2 3.81Å; I159-E242 HydrophobicContact CD1-CB 4.16Å; I159-T245 HydrophobicContact CB-CG2 4.39Å; I159-T245 HydrophobicContact CG1-CG2 3.8Å
160	V	98.3	Very high	97.6	Very high	17 Å²	17	41.7 Å²	41.7	10%	0.103	21%	0.211	C	C	.	.	H	α-helix	trans	-58.8	-48.9	177.8	174	0	0	0	0	110.6	M156 H157 F162 I163 E164 W218 P231 W232	M156-V160 WeakPolarHBondContact O-CG2 3.01Å; M156-V160 PolarHBondContact O-N 3.44Å; H157-V160 PolarHBondContact O-N 2.84Å; V160-F162 VanDerWaalsContact C-N 3.3Å; V160-F162 PolarHBondContact O-N 3.05Å; V160-I163 PolarHBondContact O-N 2.83Å; V160-E164 WeakPolarHBondContact O-CG 3.27Å; V160-E164 PolarHBondContact O-N 3.49Å; V160-W218 HydrophobicContact CG2-CH2 4.01Å; V160-W218 HydrophobicContact CG2-CZ3 3.9Å; V160-P231 HydrophobicContact CG1-CG 4.22Å; V160-W232 HydrophobicContact CG1-CH2 4.22Å; V160-W232 HydrophobicContact CG1-CZ3 4.15Å
161	T	98.1	Very high	97.7	Very high	69 Å²	69	41.6 Å²	41.6	42%	0.423	21%	0.21	S	C	.	.	H	α-helix	trans	-61.5	-36.9	177.6	-61.4	0	0	0	0	112.7	H157 H158 I159 E164 G165	H157-T161 PolarHBondContact O-N 3.19Å; H157-T161 PolarHBondContact O-OG1 3.33Å; H158-T161 PolarHBondContact O-N 3.26Å; I159-T161 PolarHBondContact O-N 2.86Å; T161-E164 PolarHBondContact O-N 2.92Å; T161-G165 PolarHBondContact O-N 3.31Å
162	F	98.6	Very high	97.8	Very high	7 Å²	7	40 Å²	40	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-65.5	-45.1	177.5	-165	-93.2	0	0	0	111.1	H158 I159 V160 G165 I166 I241 T245 S248 Q275 F279	H158-F162 VanDerWaalsContact O-CB 3.24Å; H158-F162 WeakPolarHBondContact O-CB 3.36Å; H158-F162 PolarHBondContact O-N 2.93Å; I159-F162 PolarHBondContact O-N 3.29Å; V160-F162 VanDerWaalsContact C-N 3.3Å; V160-F162 PolarHBondContact O-N 3.05Å; F162-G165 WeakPolarHBondContact O-CA 3.38Å; F162-G165 PolarHBondContact O-N 2.87Å; F162-G165 VanDerWaalsContact O-N 3.14Å; F162-I166 HydrophobicContact CD1-CD1 3.82Å; F162-I166 HydrophobicContact CD1-CG1 4.37Å; F162-I166 HydrophobicContact CE1-CD1 3.72Å; F162-I166 HydrophobicContact CE1-CG1 4.35Å; F162-I166 WeakPolarHBondContact O-CG1 3.36Å; F162-I166 PolarHBondContact O-N 3.21Å; F162-I241 HydrophobicContact CD1-CD1 3.57Å; F162-I241 HydrophobicContact CE1-CD1 3.85Å; F162-T245 HydrophobicContact CB-CG2 4.07Å; F162-T245 HydrophobicContact CG-CG2 4.43Å; F162-S248 WeakPolarHBondContact CE2-OG 3.47Å; F162-Q275 HydrophobicContact CE1-CB 4.32Å; F162-F279 HydrophobicContact CB-CE2 4.41Å; F162-F279 HydrophobicContact CD1-CD2 4.33Å; F162-F279 HydrophobicContact CD1-CG 4.47Å; F162-F279 HydrophobicContact CD2-CB 4.34Å; F162-F279 AromaticContact CD2-CD1 3.7Å; F162-F279 HydrophobicContact CD2-CD1 3.7Å; F162-F279 AromaticContact CD2-CD2 3.6Å; F162-F279 HydrophobicContact CD2-CD2 3.6Å; F162-F279 AromaticContact CD2-CE1 3.8Å; F162-F279 HydrophobicContact CD2-CE1 3.8Å; F162-F279 AromaticContact CD2-CE2 3.7Å; F162-F279 HydrophobicContact CD2-CE2 3.7Å; F162-F279 AromaticContact CD2-CG 3.59Å; F162-F279 HydrophobicContact CD2-CG 3.59Å; F162-F279 AromaticContact CD2-CZ 3.8Å; F162-F279 HydrophobicContact CD2-CZ 3.8Å; F162-F279 HydrophobicContact CE1-CB 3.96Å; F162-F279 HydrophobicContact CE1-CG 4.24Å; F162-F279 HydrophobicContact CE2-CB 3.7Å; F162-F279 AromaticContact CE2-CD1 3.24Å; F162-F279 HydrophobicContact CE2-CD1 3.24Å; F162-F279 AromaticContact CE2-CD2 3.81Å; F162-F279 HydrophobicContact CE2-CD2 3.81Å; F162-F279 AromaticContact CE2-CE1 3.73Å; F162-F279 HydrophobicContact CE2-CE1 3.73Å; F162-F279 HydrophobicContact CE2-CE2 4.24Å; F162-F279 AromaticContact CE2-CG 3.28Å; F162-F279 HydrophobicContact CE2-CG 3.28Å; F162-F279 HydrophobicContact CE2-CZ 4.2Å; F162-F279 AromaticContact CG-CD2 3.89Å; F162-F279 HydrophobicContact CG-CD2 3.89Å; F162-F279 HydrophobicContact CG-CE2 4.13Å; F162-F279 HydrophobicContact CG-CG 4.2Å; F162-F279 HydrophobicContact CZ-CB 3.5Å; F162-F279 VanDerWaalsContact CZ-CB 3.5Å; F162-F279 AromaticContact CZ-CD1 3.96Å; F162-F279 HydrophobicContact CZ-CD1 3.96Å; F162-F279 HydrophobicContact CZ-CD2 4.29Å; F162-F279 AromaticContact CZ-CG 3.65Å; F162-F279 HydrophobicContact CZ-CG 3.65Å; F162-F279 WeakPolarHBondContact O-CD2 3.23Å
163	I	98.6	Very high	97.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.6	-44.4	175.4	-63.4	170.6	0	0	0	111	I159 V160 G165 I166 I167 V180 L217 W218 W232 I241	I159-I163 HydrophobicContact CG2-CD1 3.84Å; I159-I163 HydrophobicContact CG2-CG1 4.43Å; I159-I163 VanDerWaalsContact O-CG1 3.27Å; I159-I163 WeakPolarHBondContact O-CG1 3.46Å; I159-I163 PolarHBondContact O-N 3.45Å; V160-I163 PolarHBondContact O-N 2.83Å; I163-G165 PolarHBondContact O-N 2.93Å; I163-I166 PolarHBondContact O-N 2.94Å; I163-I166 VanDerWaalsContact O-N 3.14Å; I163-I167 HydrophobicContact CG2-CD1 4.25Å; I163-I167 WeakPolarHBondContact O-CG1 3.46Å; I163-I167 PolarHBondContact O-N 2.8Å; I163-V180 HydrophobicContact CG2-CB 4.3Å; I163-V180 HydrophobicContact CG2-CG1 3.71Å; I163-L217 HydrophobicContact CD1-CB 3.99Å; I163-L217 WeakPolarHBondContact CD1-O 3.36Å; I163-L217 HydrophobicContact CG1-CB 4.01Å; I163-L217 HydrophobicContact CG2-CB 4.21Å; I163-L217 HydrophobicContact CG2-CD1 4.22Å; I163-W218 HydrophobicContact CD1-CB 4.16Å; I163-W218 HydrophobicContact CD1-CE3 4.09Å; I163-W232 HydrophobicContact CB-CH2 3.57Å; I163-W232 HydrophobicContact CB-CZ2 4.42Å; I163-W232 HydrophobicContact CB-CZ3 4.07Å; I163-W232 HydrophobicContact CD1-CZ3 4.35Å; I163-W232 HydrophobicContact CG2-CH2 3.28Å; I163-W232 HydrophobicContact CG2-CZ2 3.77Å; I163-W232 HydrophobicContact CG2-CZ3 3.76Å; I163-I241 HydrophobicContact CD1-CG1 4.03Å; I163-I241 HydrophobicContact CG1-CD1 4.15Å; I163-I241 HydrophobicContact CG1-CG1 3.7Å
164	E	98.6	Very high	97.8	Very high	64 Å²	64	41.2 Å²	41.2	30%	0.299	22%	0.217	S	C	.	.	H	α-helix	trans	-57.2	-38.8	173.8	-72	179.7	136.2	0	0	111.9	V160 T161 I167 R168 P231 W232	V160-E164 WeakPolarHBondContact O-CG 3.27Å; V160-E164 PolarHBondContact O-N 3.49Å; T161-E164 PolarHBondContact O-N 2.92Å; E164-I167 PolarHBondContact O-N 2.94Å; E164-R168 VanDerWaalsContact O-CB 3.31Å; E164-R168 WeakPolarHBondContact O-CB 3.37Å; E164-R168 PolarHBondContact O-N 2.78Å; E164-P231 HydrophobicContact CG-CG 4.44Å; E164-P231 VanDerWaalsContact OE1-CG 3.25Å; E164-P231 WeakPolarHBondContact OE1-CG 3.4Å; E164-W232 HydrophobicContact CG-CH2 3.82Å; E164-W232 HydrophobicContact CG-CZ2 3.73Å
165	G	98.6	Very high	97.8	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-61.3	-46.7	173.8	0	0	0	0	0	112.9	T161 F162 I163 I167 R168 N169	T161-G165 PolarHBondContact O-N 3.31Å; F162-G165 WeakPolarHBondContact O-CA 3.38Å; F162-G165 PolarHBondContact O-N 2.87Å; F162-G165 VanDerWaalsContact O-N 3.14Å; I163-G165 PolarHBondContact O-N 2.93Å; G165-I167 VanDerWaalsContact C-N 3.34Å; G165-I167 PolarHBondContact O-N 3.39Å; G165-R168 PolarHBondContact O-N 3.25Å; G165-N169 WeakPolarHBondContact O-CB 3.27Å; G165-N169 PolarHBondContact O-N 2.82Å; G165-N169 PolarHBondContact O-OD1 2.97Å
166	I	98.6	Very high	97.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-42.9	176.5	-63.1	173.6	0	0	0	110.8	F162 I163 N169 G170 H171 A172 F182 L217 I241 Q275 A278 F279	F162-I166 HydrophobicContact CD1-CD1 3.82Å; F162-I166 HydrophobicContact CD1-CG1 4.37Å; F162-I166 HydrophobicContact CE1-CD1 3.72Å; F162-I166 HydrophobicContact CE1-CG1 4.35Å; F162-I166 WeakPolarHBondContact O-CG1 3.36Å; F162-I166 PolarHBondContact O-N 3.21Å; I163-I166 PolarHBondContact O-N 2.94Å; I163-I166 VanDerWaalsContact O-N 3.14Å; I166-N169 PolarHBondContact O-N 3.45Å; I166-G170 PolarHBondContact O-N 2.87Å; I166-H171 HydrophobicContact CG2-CB 3.64Å; I166-H171 PolarHBondContact O-N 2.96Å; I166-A172 HydrophobicContact CB-CB 4.32Å; I166-A172 HydrophobicContact CG2-CB 3.59Å; I166-F182 HydrophobicContact CG2-CD2 3.93Å; I166-F182 HydrophobicContact CG2-CE2 3.92Å; I166-L217 HydrophobicContact CD1-CD1 4.1Å; I166-L217 HydrophobicContact CG2-CD1 4.18Å; I166-I241 HydrophobicContact CD1-CD1 4.03Å; I166-Q275 HydrophobicContact CD1-CB 4.13Å; I166-Q275 HydrophobicContact CD1-CG 4.38Å; I166-A278 HydrophobicContact CG2-CB 4.26Å; I166-F279 HydrophobicContact CG1-CB 3.97Å; I166-F279 HydrophobicContact CG1-CD2 4.41Å
167	I	98.6	Very high	97.1	Very high	51 Å²	51	50 Å²	50	26%	0.262	26%	0.255	S	S	.	.	H	α-helix	trans	-62.2	-47.3	176	-66.4	175.7	0	0	0	110.5	I163 E164 G165 N169 G170 A172 V180 W232	I163-I167 HydrophobicContact CG2-CD1 4.25Å; I163-I167 WeakPolarHBondContact O-CG1 3.46Å; I163-I167 PolarHBondContact O-N 2.8Å; E164-I167 PolarHBondContact O-N 2.94Å; G165-I167 VanDerWaalsContact C-N 3.34Å; G165-I167 PolarHBondContact O-N 3.39Å; I167-N169 PolarHBondContact O-N 3.27Å; I167-G170 WeakPolarHBondContact O-CA 3.46Å; I167-G170 PolarHBondContact O-N 3.25Å; I167-A172 HydrophobicContact CG1-CB 3.62Å; I167-V180 HydrophobicContact CD1-CG1 3.9Å; I167-V180 HydrophobicContact CG1-CG1 4.31Å; I167-W232 HydrophobicContact CD1-CZ2 3.48Å; I167-W232 VanDerWaalsContact CD1-CZ2 3.48Å
168	R	98.6	Very high	96.9	Very high	176 Å²	176	44.8 Å²	44.8	66%	0.664	23%	0.234	S	C	*	.	H	α-helix	trans	-58.6	-35.8	178.8	-171.9	-175.2	-54.8	110.7	5.9	111.9	E164 G165 G170	E164-R168 VanDerWaalsContact O-CB 3.31Å; E164-R168 WeakPolarHBondContact O-CB 3.37Å; E164-R168 PolarHBondContact O-N 2.78Å; G165-R168 PolarHBondContact O-N 3.25Å; R168-G170 PolarHBondContact O-N 2.72Å
169	N	98.4	Very high	96.7	Very high	44 Å²	44	44 Å²	44	24%	0.235	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-1	176.9	-65.1	-9.2	0	0	0	113.2	G165 I166 I167 H171 A278 F279 Q281	G165-N169 WeakPolarHBondContact O-CB 3.27Å; G165-N169 PolarHBondContact O-N 2.82Å; G165-N169 PolarHBondContact O-OD1 2.97Å; I166-N169 PolarHBondContact O-N 3.45Å; I167-N169 PolarHBondContact O-N 3.27Å; N169-H171 PolarHBondContact O-CD2 3.32Å; N169-A278 PolarHBondContact ND2-O 2.74Å; N169-F279 PolarHBondContact ND2-O 2.78Å; N169-Q281 WeakPolarHBondContact ND2-CG 3.24Å
170	G	98.1	Very high	96.7	Very high	49 Å²	49	44 Å²	44	51%	0.505	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	17.9	176	0	0	0	0	0	114.7	I166 I167 R168	I166-G170 PolarHBondContact O-N 2.87Å; I167-G170 WeakPolarHBondContact O-CA 3.46Å; I167-G170 PolarHBondContact O-N 3.25Å; R168-G170 PolarHBondContact O-N 2.72Å
171	H	98.3	Very high	96.7	Very high	23 Å²	23	44 Å²	44	11%	0.106	23%	0.23	C	C	.	.	S	Bend	trans	-109.4	3.8	-173	-66.6	-56.9	0	0	0	114.7	I166 N169 F182 D183 S186 A278	I166-H171 HydrophobicContact CG2-CB 3.64Å; I166-H171 PolarHBondContact O-N 2.96Å; N169-H171 PolarHBondContact O-CD2 3.32Å; H171-F182 HydrophobicContact CB-CE2 4.2Å; H171-F182 HydrophobicContact CB-CZ 4.37Å; H171-D183 PolarHBondContact O-N 2.72Å; H171-S186 VanDerWaalsContact CA-OG 3.31Å; H171-S186 WeakPolarHBondContact CA-OG 3.47Å; H171-S186 PolarHBondContact CE1-O 3.39Å; H171-S186 WeakPolarHBondContact ND1-CB 3.21Å; H171-S186 PolarHBondContact ND1-O 2.86Å; H171-S186 PolarHBondContact ND1-OG 3.4Å; H171-A278 HydrophobicContact CB-CB 3.66Å
172	A	98.1	Very high	96.7	Very high	12 Å²	12	40.8 Å²	40.8	10%	0.099	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	160.4	176.6	0	0	0	0	0	111.3	I166 I167 V180 Y181 L217	I166-A172 HydrophobicContact CB-CB 4.32Å; I166-A172 HydrophobicContact CG2-CB 3.59Å; I167-A172 HydrophobicContact CG1-CB 3.62Å; A172-V180 HydrophobicContact CB-CG1 4.29Å; A172-Y181 CarbonylContact C-O 3.53Å; A172-Y181 WeakPolarHBondContact CA-O 3.49Å; A172-Y181 VanDerWaalsContact CB-O 3.26Å; A172-Y181 WeakPolarHBondContact CB-O 3.35Å; A172-L217 HydrophobicContact CB-CD1 3.65Å
173	Y	97.6	Very high	96.6	Very high	15 Å²	15	41.7 Å²	41.7	6%	0.059	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.4	177.7	61.3	-86.2	0	0	0	111.5	V180 Y181 D183 K209 R210 D214	Y173-V180 WeakPolarHBondContact O-CA 3.32Å; Y173-Y181 HydrophobicContact CE2-CD2 4.15Å; Y173-Y181 PolarHBondContact N-O 3.3Å; Y173-Y181 PolarHBondContact O-N 2.98Å; Y173-D183 HydrophobicContact CD1-CB 4.03Å; Y173-D183 HydrophobicContact CE1-CB 4.11Å; Y173-K209 WeakPolarHBondContact OH-CA 3.48Å; Y173-R210 HydrophobicContact CE1-CB 4.27Å; Y173-R210 HydrophobicContact CE1-CG 4.05Å; Y173-R210 HydrophobicContact CE2-CG 3.91Å; Y173-R210 PolarHBondContact OH-N 3.24Å; Y173-D214 WeakPolarHBondContact CE1-OD2 3.49Å; Y173-D214 PolarHBondContact OH-OD2 2.93Å
174	A	96.6	Very high	96.4	Very high	48 Å²	48	41.8 Å²	41.8	40%	0.397	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	141.8	171.6	0	0	0	0	0	110.7	D179 V180 W232	A174-D179 CarbonylContact C-O 3.49Å; A174-D179 WeakPolarHBondContact CA-O 3.3Å; A174-V180 HydrophobicContact CB-CG2 4.12Å; A174-W232 VanDerWaalsContact CB-CD1 3.48Å; A174-W232 HydrophobicContact CB-CG 4.23Å
175	T	94.6	Very high	96.1	Very high	20 Å²	20	44.5 Å²	44.5	12%	0.123	23%	0.228	C	C	.	.			trans	-85.4	165.3	170.9	71.4	0	0	0	0	110.6	E177 G178 D179 Y181 N208	T175-E177 WeakPolarHBondContact CB-OE2 3.43Å; T175-E177 PolarHBondContact O-N 3.12Å; T175-E177 PolarHBondContact OG1-N 3.25Å; T175-E177 PolarHBondContact OG1-OE2 2.62Å; T175-G178 PolarHBondContact O-N 3.47Å; T175-G178 PolarHBondContact OG1-N 3.38Å; T175-D179 HydrophobicContact CG2-CB 4.23Å; T175-D179 PolarHBondContact N-O 2.65Å; T175-D179 PolarHBondContact OG1-N 3.08Å; T175-D179 VanDerWaalsContact OG1-N 3.12Å; T175-D179 PolarHBondContact OG1-O 3.45Å; T175-Y181 HydrophobicContact CG2-CD2 3.72Å; T175-Y181 HydrophobicContact CG2-CE2 3.67Å; T175-N208 HydrophobicContact CG2-CB 4.34Å
176	K	90.5	Very high	96	Very high	210 Å²	210	46.3 Å²	46.3	91%	0.913	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-23.1	174.6	-67.4	-177.8	179.7	178.6	0	111.8
177	E	87.5	Confident	95.7	Very high	78 Å²	78	46.5 Å²	46.5	36%	0.364	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.1	-176.3	-60.1	72.7	-152.5	0	0	113.4	T175 N208 R220	T175-E177 WeakPolarHBondContact CB-OE2 3.43Å; T175-E177 PolarHBondContact O-N 3.12Å; T175-E177 PolarHBondContact OG1-N 3.25Å; T175-E177 PolarHBondContact OG1-OE2 2.62Å; E177-N208 PolarHBondContact OE2-ND2 2.94Å; E177-R220 WeakPolarHBondContact O-CD 3.48Å; E177-R220 PolarHBondContact O-NH1 3.08Å
178	G	92.4	Very high	95.2	Very high	9 Å²	9	46.2 Å²	46.2	9%	0.093	25%	0.251	C	S	.	.	S	Bend	trans	104	2.7	175.8	0	0	0	0	0	115.6	T175 W232	T175-G178 PolarHBondContact O-N 3.47Å; T175-G178 PolarHBondContact OG1-N 3.38Å; G178-W232 VanDerWaalsContact CA-O 3.23Å; G178-W232 WeakPolarHBondContact CA-O 3.36Å
179	D	94.8	Very high	94.6	Very high	30 Å²	30	42.2 Å²	42.2	16%	0.16	24%	0.243	C	C	.	.			trans	-78.9	151.3	170.8	-61.7	-64.4	0	0	0	110.4	A174 T175 Y181 W218 K219 R220	A174-D179 CarbonylContact C-O 3.49Å; A174-D179 WeakPolarHBondContact CA-O 3.3Å; T175-D179 HydrophobicContact CG2-CB 4.23Å; T175-D179 PolarHBondContact N-O 2.65Å; T175-D179 PolarHBondContact OG1-N 3.08Å; T175-D179 VanDerWaalsContact OG1-N 3.12Å; T175-D179 PolarHBondContact OG1-O 3.45Å; D179-Y181 HydrophobicContact CB-CD2 4.37Å; D179-Y181 HydrophobicContact CB-CE2 3.69Å; D179-W218 WeakPolarHBondContact CA-O 3.46Å; D179-K219 WeakPolarHBondContact OD1-CA 3.31Å; D179-R220 PolarHBondContact OD1-N 2.92Å
180	V	97.5	Very high	94.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.8	170.3	-176	0	0	0	0	109.1	I163 I167 A172 Y173 A174 A216 L217 W218 W232	I163-V180 HydrophobicContact CG2-CB 4.3Å; I163-V180 HydrophobicContact CG2-CG1 3.71Å; I167-V180 HydrophobicContact CD1-CG1 3.9Å; I167-V180 HydrophobicContact CG1-CG1 4.31Å; A172-V180 HydrophobicContact CB-CG1 4.29Å; Y173-V180 WeakPolarHBondContact O-CA 3.32Å; A174-V180 HydrophobicContact CB-CG2 4.12Å; V180-A216 CarbonylContact O-C 3.54Å; V180-A216 WeakPolarHBondContact O-CA 3.33Å; V180-L217 HydrophobicContact CB-CB 4.49Å; V180-L217 HydrophobicContact CG1-CB 4.31Å; V180-L217 HydrophobicContact CG1-CD1 4.39Å; V180-L217 PolarHBondContact O-N 3.44Å; V180-W218 HydrophobicContact CB-CB 3.77Å; V180-W218 HydrophobicContact CG2-CB 3.85Å; V180-W218 PolarHBondContact N-O 2.69Å; V180-W218 PolarHBondContact O-N 2.8Å; V180-W218 VanDerWaalsContact O-N 3.15Å; V180-W232 HydrophobicContact CG2-CB 4.07Å; V180-W232 HydrophobicContact CG2-CD2 3.32Å; V180-W232 HydrophobicContact CG2-CE3 3.65Å; V180-W232 HydrophobicContact CG2-CG 3.48Å; V180-W232 VanDerWaalsContact CG2-CG 3.48Å; V180-W232 HydrophobicContact CG2-CZ2 4.45Å; V180-W232 HydrophobicContact CG2-CZ3 4.34Å
181	Y	97.6	Very high	93.9	Very high	18 Å²	18	41.7 Å²	41.7	7%	0.071	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.6	178.5	-68.5	-79.4	0	0	0	111.3	A172 Y173 T175 D179 S206 K209 F215 A216	A172-Y181 CarbonylContact C-O 3.53Å; A172-Y181 WeakPolarHBondContact CA-O 3.49Å; A172-Y181 VanDerWaalsContact CB-O 3.26Å; A172-Y181 WeakPolarHBondContact CB-O 3.35Å; Y173-Y181 HydrophobicContact CE2-CD2 4.15Å; Y173-Y181 PolarHBondContact N-O 3.3Å; Y173-Y181 PolarHBondContact O-N 2.98Å; T175-Y181 HydrophobicContact CG2-CD2 3.72Å; T175-Y181 HydrophobicContact CG2-CE2 3.67Å; D179-Y181 HydrophobicContact CB-CD2 4.37Å; D179-Y181 HydrophobicContact CB-CE2 3.69Å; Y181-S206 PolarHBondContact OH-OG 2.79Å; Y181-K209 HydrophobicContact CD1-CD 4.49Å; Y181-K209 HydrophobicContact CD1-CG 4.19Å; Y181-K209 HydrophobicContact CE1-CD 4.26Å; Y181-K209 HydrophobicContact CE1-CG 3.97Å; Y181-K209 HydrophobicContact CE2-CG 4.38Å; Y181-F215 WeakPolarHBondContact CA-O 3.47Å; Y181-A216 HydrophobicContact CD1-CB 4.21Å; Y181-A216 HydrophobicContact CE1-CB 3.95Å
182	F	97.9	Very high	93.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.9	164.9	-169.3	-88.2	0	0	0	109.2	I166 H171 V184 I187 D214 F215 L217 A274 Q275 A278	I166-F182 HydrophobicContact CG2-CD2 3.93Å; I166-F182 HydrophobicContact CG2-CE2 3.92Å; H171-F182 HydrophobicContact CB-CE2 4.2Å; H171-F182 HydrophobicContact CB-CZ 4.37Å; F182-V184 HydrophobicContact CD1-CG2 4.09Å; F182-V184 PolarHBondContact O-N 2.74Å; F182-I187 HydrophobicContact CE1-CB 4.36Å; F182-I187 HydrophobicContact CE1-CG2 3.85Å; F182-I187 HydrophobicContact CZ-CB 4.31Å; F182-I187 HydrophobicContact CZ-CD1 4.1Å; F182-I187 HydrophobicContact CZ-CG2 4.22Å; F182-D214 WeakPolarHBondContact O-CA 3.21Å; F182-D214 VanDerWaalsContact O-CB 3.25Å; F182-D214 WeakPolarHBondContact O-CB 3.3Å; F182-D214 VanDerWaalsContact O-OD1 3.12Å; F182-F215 HydrophobicContact CB-CD1 4.3Å; F182-F215 HydrophobicContact CB-CD2 3.92Å; F182-F215 HydrophobicContact CB-CE1 3.91Å; F182-F215 HydrophobicContact CB-CE2 3.47Å; F182-F215 VanDerWaalsContact CB-CE2 3.47Å; F182-F215 HydrophobicContact CB-CG 4.31Å; F182-F215 HydrophobicContact CB-CZ 3.49Å; F182-F215 VanDerWaalsContact CB-CZ 3.49Å; F182-F215 AromaticContact CD1-CE1 3.61Å; F182-F215 HydrophobicContact CD1-CE1 3.61Å; F182-F215 HydrophobicContact CD1-CE2 4.35Å; F182-F215 AromaticContact CD1-CZ 3.49Å; F182-F215 HydrophobicContact CD1-CZ 3.49Å; F182-F215 VanDerWaalsContact CD1-CZ 3.49Å; F182-F215 HydrophobicContact CD2-CE2 4.35Å; F182-F215 HydrophobicContact CD2-CZ 4.05Å; F182-F215 HydrophobicContact CE1-CE1 4.41Å; F182-F215 HydrophobicContact CE1-CZ 4.23Å; F182-F215 AromaticContact CG-CE1 3.92Å; F182-F215 HydrophobicContact CG-CE1 3.92Å; F182-F215 AromaticContact CG-CE2 3.82Å; F182-F215 HydrophobicContact CG-CE2 3.82Å; F182-F215 AromaticContact CG-CZ 3.39Å; F182-F215 HydrophobicContact CG-CZ 3.39Å; F182-F215 PolarHBondContact N-O 2.86Å; F182-L217 HydrophobicContact CB-CD1 4.19Å; F182-L217 HydrophobicContact CB-CD2 3.92Å; F182-L217 HydrophobicContact CB-CG 4.01Å; F182-L217 HydrophobicContact CD2-CD1 4.27Å; F182-L217 HydrophobicContact CD2-CD2 4.35Å; F182-A274 HydrophobicContact CE1-CB 4.01Å; F182-A274 HydrophobicContact CZ-CB 3.89Å; F182-A274 WeakPolarHBondContact CZ-O 3.32Å; F182-Q275 HydrophobicContact CD2-CG 4.23Å; F182-A278 HydrophobicContact CE2-CB 3.69Å; F182-A278 HydrophobicContact CZ-CB 3.96Å
183	D	96.9	Very high	93	Very high	27 Å²	27	41.8 Å²	41.8	14%	0.144	22%	0.222	C	C	.	.			trans	-87.1	99	177.5	-173.9	-31.4	0	0	0	109	H171 Y173 Q185 S186 R210	H171-D183 PolarHBondContact O-N 2.72Å; Y173-D183 HydrophobicContact CD1-CB 4.03Å; Y173-D183 HydrophobicContact CE1-CB 4.11Å; D183-Q185 PolarHBondContact O-N 3.3Å; D183-Q185 WeakPolarHBondContact OD1-CA 3.34Å; D183-Q185 WeakPolarHBondContact OD1-CB 3.42Å; D183-Q185 PolarHBondContact OD1-N 2.85Å; D183-S186 WeakPolarHBondContact O-CB 3.09Å; D183-S186 PolarHBondContact O-N 3.35Å; D183-S186 PolarHBondContact O-OG 3.03Å; D183-S186 PolarHBondContact OD1-N 2.88Å; D183-R210 IonicContact OD2-NH1 3.17Å
184	V	94.4	Very high	92.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.8	-177.5	172.2	0	0	0	0	111.6	F182 S186 I187 Y191 R213 D214 F215	F182-V184 HydrophobicContact CD1-CG2 4.09Å; F182-V184 PolarHBondContact O-N 2.74Å; V184-S186 VanDerWaalsContact C-N 3.31Å; V184-S186 PolarHBondContact O-N 3.3Å; V184-I187 WeakPolarHBondContact O-CG2 3.45Å; V184-Y191 HydrophobicContact CG1-CD1 3.63Å; V184-Y191 HydrophobicContact CG1-CD2 4.24Å; V184-Y191 HydrophobicContact CG1-CE1 3.97Å; V184-Y191 HydrophobicContact CG1-CG 3.77Å; V184-Y191 HydrophobicContact CG2-CE2 4.33Å; V184-R213 HydrophobicContact CB-CB 4.2Å; V184-R213 HydrophobicContact CG1-CB 4.17Å; V184-R213 HydrophobicContact CG2-CB 4.17Å; V184-R213 WeakPolarHBondContact CG2-O 3.46Å; V184-D214 PolarHBondContact N-OD1 3.01Å; V184-F215 HydrophobicContact CG2-CD1 4.01Å; V184-F215 HydrophobicContact CG2-CE1 3.83Å
185	Q	93.6	Very high	91.3	Very high	121 Å²	121	42.1 Å²	42.1	57%	0.565	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-67.7	-35.1	177.6	-62.3	-170.6	10.5	0	0	111.6	D183 I187 G188 D211	D183-Q185 PolarHBondContact O-N 3.3Å; D183-Q185 WeakPolarHBondContact OD1-CA 3.34Å; D183-Q185 WeakPolarHBondContact OD1-CB 3.42Å; D183-Q185 PolarHBondContact OD1-N 2.85Å; Q185-I187 PolarHBondContact O-N 2.78Å; Q185-G188 PolarHBondContact O-N 3.03Å; Q185-D211 HydrophobicContact CG-CB 4.38Å; Q185-D211 WeakPolarHBondContact CG-OD2 2.85Å; Q185-D211 PolarHBondContact NE2-OD2 2.8Å
186	S	95.3	Very high	89.5	Confident	40 Å²	40	42.8 Å²	42.8	28%	0.28	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-61.2	-26.2	-178.6	76.7	0	0	0	0	114.4	H171 D183 V184	H171-S186 VanDerWaalsContact CA-OG 3.31Å; H171-S186 WeakPolarHBondContact CA-OG 3.47Å; H171-S186 PolarHBondContact CE1-O 3.39Å; H171-S186 WeakPolarHBondContact ND1-CB 3.21Å; H171-S186 PolarHBondContact ND1-O 2.86Å; H171-S186 PolarHBondContact ND1-OG 3.4Å; D183-S186 WeakPolarHBondContact O-CB 3.09Å; D183-S186 PolarHBondContact O-N 3.35Å; D183-S186 PolarHBondContact O-OG 3.03Å; D183-S186 PolarHBondContact OD1-N 2.88Å; V184-S186 VanDerWaalsContact C-N 3.31Å; V184-S186 PolarHBondContact O-N 3.3Å
187	I	91.7	Very high	87.1	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.021	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-96.1	-5	179.3	-163.7	143	0	0	0	112.7	F182 V184 Q185 R190 A274 E277 A278	F182-I187 HydrophobicContact CE1-CB 4.36Å; F182-I187 HydrophobicContact CE1-CG2 3.85Å; F182-I187 HydrophobicContact CZ-CB 4.31Å; F182-I187 HydrophobicContact CZ-CD1 4.1Å; F182-I187 HydrophobicContact CZ-CG2 4.22Å; V184-I187 WeakPolarHBondContact O-CG2 3.45Å; Q185-I187 PolarHBondContact O-N 2.78Å; I187-R190 HydrophobicContact CG1-CB 3.83Å; I187-R190 WeakPolarHBondContact O-CB 3.07Å; I187-R190 PolarHBondContact O-N 3.34Å; I187-A274 HydrophobicContact CD1-CB 4.42Å; I187-A274 WeakPolarHBondContact CD1-O 3.48Å; I187-E277 HydrophobicContact CD1-CB 4.4Å; I187-A278 HydrophobicContact CD1-CB 4.14Å
188	G	90.1	Very high	85.1	Confident	44 Å²	44	39.6 Å²	39.6	45%	0.454	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	59.9	-133.6	168.5	0	0	0	0	0	114.2	Q185 R190 Y191	Q185-G188 PolarHBondContact O-N 3.03Å; G188-R190 PolarHBondContact O-N 2.84Å; G188-Y191 PolarHBondContact O-N 3.48Å
189	D	85.7	Confident	82.9	Confident	92 Å²	92	43.4 Å²	43.4	49%	0.492	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-71.8	-8.1	-179	70.3	-29.5	0	0	0	113.6	G26 K27 Y191	G26-D189 PolarHBondContact N-OD2 2.97Å; K27-D189 WeakPolarHBondContact CE-O 3.12Å; K27-D189 WeakPolarHBondContact CG-O 3.18Å; D189-Y191 VanDerWaalsContact C-N 3.26Å; D189-Y191 PolarHBondContact O-N 2.88Å
190	R	88.5	Confident	80.5	Confident	55 Å²	55	43.9 Å²	43.9	21%	0.208	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-72.3	-17	174.8	-62.9	-171.7	-71.6	161.9	-2.9	113.1	I187 G188 K193 C282	I187-R190 HydrophobicContact CG1-CB 3.83Å; I187-R190 WeakPolarHBondContact O-CB 3.07Å; I187-R190 PolarHBondContact O-N 3.34Å; G188-R190 PolarHBondContact O-N 2.84Å; R190-K193 WeakPolarHBondContact O-CE 3.3Å; R190-K193 WeakPolarHBondContact O-CG 3.38Å; R190-C282 PolarHBondContact NH1-O 3.43Å
191	Y	91.9	Very high	77.8	Confident	27 Å²	27	49.8 Å²	49.8	11%	0.106	31%	0.306	C	S	.	.	S	Bend	trans	-84	145.7	173.6	-167.5	-97.4	0	0	0	112.3	K27 V184 G188 D189 F215 E270 N271 A274	K27-Y191 WeakPolarHBondContact CE-O 3.41Å; K27-Y191 PolarHBondContact NZ-O 3.03Å; V184-Y191 HydrophobicContact CG1-CD1 3.63Å; V184-Y191 HydrophobicContact CG1-CD2 4.24Å; V184-Y191 HydrophobicContact CG1-CE1 3.97Å; V184-Y191 HydrophobicContact CG1-CG 3.77Å; V184-Y191 HydrophobicContact CG2-CE2 4.33Å; G188-Y191 PolarHBondContact O-N 3.48Å; D189-Y191 VanDerWaalsContact C-N 3.26Å; D189-Y191 PolarHBondContact O-N 2.88Å; Y191-F215 AromaticContact CE2-CE1 3.93Å; Y191-F215 HydrophobicContact CE2-CE1 3.93Å; Y191-E270 HydrophobicContact CE1-CG 4.46Å; Y191-E270 HydrophobicContact CE2-CG 4.03Å; Y191-N271 WeakPolarHBondContact CE2-OD1 3.41Å; Y191-N271 PolarHBondContact OH-OD1 2.86Å; Y191-A274 HydrophobicContact CD2-CB 3.74Å; Y191-A274 HydrophobicContact CE2-CB 4.08Å
192	G	88.8	Confident	75.1	Confident	7 Å²	7	51.1 Å²	51.1	7%	0.072	33%	0.325	C	S	.	.			trans	82.5	48.5	-179.5	0	0	0	0	0	112.4	K27 E270	K27-G192 PolarHBondContact NZ-O 3.48Å; G192-E270 WeakPolarHBondContact CA-OE1 3.39Å; G192-E270 WeakPolarHBondContact CA-OE2 3.35Å; G192-E270 PolarHBondContact N-OE1 2.89Å
193	K	88.9	Confident	72.4	Confident	30 Å²	30	59.7 Å²	59.7	13%	0.13	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-29.9	175.9	-60.1	-162.5	-171.7	-178.7	0	112.5	L45 R190 E270 I273 E277 G283	L45-K193 HydrophobicContact CD2-CB 3.96Å; R190-K193 WeakPolarHBondContact O-CE 3.3Å; R190-K193 WeakPolarHBondContact O-CG 3.38Å; K193-E270 VanDerWaalsContact N-CD 3.27Å; K193-E270 PolarHBondContact N-OE1 3.01Å; K193-E270 PolarHBondContact N-OE2 2.97Å; K193-I273 HydrophobicContact CD-CG2 4.02Å; K193-E277 IonicContact NZ-OE1 2.93Å; K193-E277 PolarHBondContact NZ-OE1 3.47Å; K193-E277 IonicContact NZ-OE2 3.48Å; K193-E277 PolarHBondContact NZ-OE2 2.86Å; K193-G283 PolarHBondContact NZ-O 3.43Å
194	F	85.8	Confident	69.7	Low	15 Å²	15	64.5 Å²	64.5	7%	0.066	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-47.2	-179.9	-68.9	-67.6	0	0	0	113.9	L45 K47 A265 H269 E270 I273 F289 H291	L45-F194 HydrophobicContact CD2-CD1 4.18Å; L45-F194 HydrophobicContact CD2-CE1 3.54Å; L45-F194 HydrophobicContact CD2-CE2 4.07Å; L45-F194 HydrophobicContact CD2-CZ 3.48Å; L45-F194 VanDerWaalsContact CD2-CZ 3.48Å; L45-F194 HydrophobicContact CG-CE1 4Å; L45-F194 HydrophobicContact CG-CZ 4.14Å; K47-F194 WeakPolarHBondContact CE-O 3.35Å; K47-F194 PolarHBondContact NZ-O 2.87Å; F194-A265 VanDerWaalsContact CD2-O 3.23Å; F194-A265 WeakPolarHBondContact CD2-O 3.35Å; F194-A265 HydrophobicContact CG-CB 4.44Å; F194-H269 HydrophobicContact CE2-CB 3.8Å; F194-H269 HydrophobicContact CZ-CB 4.3Å; F194-E270 HydrophobicContact CD2-CB 4.19Å; F194-E270 PolarHBondContact N-OE2 2.93Å; F194-I273 HydrophobicContact CD2-CD1 4.38Å; F194-I273 HydrophobicContact CE2-CD1 3.46Å; F194-I273 VanDerWaalsContact CE2-CD1 3.46Å; F194-I273 HydrophobicContact CZ-CD1 3.85Å; F194-F289 HydrophobicContact CE1-CB 4.04Å; F194-F289 HydrophobicContact CE1-CG 4.23Å; F194-F289 HydrophobicContact CE2-CD1 4.45Å; F194-F289 HydrophobicContact CZ-CB 3.95Å; F194-F289 AromaticContact CZ-CD1 3.65Å; F194-F289 HydrophobicContact CZ-CD1 3.65Å; F194-F289 HydrophobicContact CZ-CD2 4.16Å; F194-F289 HydrophobicContact CZ-CE1 4.16Å; F194-F289 AromaticContact CZ-CG 3.64Å; F194-F289 HydrophobicContact CZ-CG 3.64Å; F194-H291 AromaticContact CE1-CE1 3.7Å; F194-H291 AromaticContact CZ-CE1 3.94Å
195	V	73	Confident	67.3	Low	56 Å²	56	66.5 Å²	66.5	34%	0.339	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-12.4	-167.8	-164.8	0	0	0	0	112.3	I198 F266	V195-I198 HydrophobicContact CG1-CB 4.28Å; V195-F266 HydrophobicContact CG2-CB 3.59Å; V195-F266 HydrophobicContact CG2-CD1 4.34Å; V195-F266 HydrophobicContact CG2-CD2 3.44Å; V195-F266 VanDerWaalsContact CG2-CD2 3.44Å; V195-F266 HydrophobicContact CG2-CE2 4.23Å; V195-F266 HydrophobicContact CG2-CG 3.51Å
196	G	57.2	Low	65.4	Low	33 Å²	33	63.9 Å²	63.9	34%	0.34	42%	0.417	S	S	.	.			trans	66.9	173.3	-158.5	0	0	0	0	0	109.6	I198	G196-I198 PolarHBondContact O-N 3.14Å
197	A	40.6	Very low	63.6	Low	97 Å²	97	67.7 Å²	67.7	80%	0.802	44%	0.444	S	S	*	.	S	Bend	trans	-71.6	62.8	-176	0	0	0	0	0	112.9
198	I	45	Very low	63	Low	124 Å²	124	70.4 Å²	70.4	64%	0.636	46%	0.458	S	S	*	.			trans	-107.9	114.6	170.6	-56.5	178.5	0	0	0	107.1	V195 G196	V195-I198 HydrophobicContact CG1-CB 4.28Å; G196-I198 PolarHBondContact O-N 3.14Å
199	S	45.1	Very low	63	Low	90 Å²	90	71.1 Å²	71.1	63%	0.629	45%	0.449	S	S	*	.			trans	-55.2	128.3	174.7	-60	0	0	0	0	109.9
200	P	46	Very low	63.3	Low	39 Å²	39	74.8 Å²	74.8	25%	0.253	46%	0.456	S	S	.	.			trans	-59.3	149.1	165.2	24.4	-31.1	0	0	0	109.2	G202 F266	P200-G202 PolarHBondContact O-N 3.48Å; P200-F266 HydrophobicContact CB-CE1 3.97Å; P200-F266 HydrophobicContact CB-CZ 3.77Å; P200-F266 HydrophobicContact CG-CZ 3.93Å
201	P	39.2	Very low	63.3	Low	125 Å²	125	73.1 Å²	73.1	81%	0.812	45%	0.451	S	S	*	.			trans	-58.9	111.4	162.4	25	-29.2	0	0	0	106.3	Q203	P201-Q203 PolarHBondContact O-N 2.85Å; P201-Q203 VanDerWaalsContact O-N 3.12Å
202	G	41.4	Very low	63.2	Low	45 Å²	45	75.9 Å²	75.9	46%	0.464	47%	0.474	S	S	.	.			trans	-52.5	123.4	-179.3	0	0	0	0	0	108.6	P200 S204	P200-G202 PolarHBondContact O-N 3.48Å; G202-S204 PolarHBondContact O-N 3.41Å
203	Q	40.4	Very low	63.1	Low	181 Å²	181	79.7 Å²	79.7	85%	0.846	49%	0.486	S	S	*	.			trans	-61.6	111.6	163.1	-74.9	-171.2	31.6	0	0	106	P201 G205	P201-Q203 PolarHBondContact O-N 2.85Å; P201-Q203 VanDerWaalsContact O-N 3.12Å; Q203-G205 PolarHBondContact O-N 2.98Å
204	S	41.1	Very low	63.3	Low	128 Å²	128	78.3 Å²	78.3	90%	0.895	48%	0.48	S	S	*	.			trans	-58	99.6	171.4	56	0	0	0	0	107.8	G202	G202-S204 PolarHBondContact O-N 3.41Å
205	G	45.1	Very low	63.8	Low	44 Å²	44	78.5 Å²	78.5	45%	0.454	48%	0.481	S	S	.	.			trans	-168.2	102.7	-170.6	0	0	0	0	0	113.1	Q203	Q203-G205 PolarHBondContact O-N 2.98Å
206	S	51.8	Low	64.8	Low	66 Å²	66	76.6 Å²	76.6	46%	0.462	47%	0.472	S	S	.	.			trans	77	127.2	179	79.5	0	0	0	0	116.1	Y181 N208	Y181-S206 PolarHBondContact OH-OG 2.79Å; S206-N208 PolarHBondContact O-N 2.97Å; S206-N208 VanDerWaalsContact O-N 3.13Å
207	S	58.2	Low	66.7	Low	120 Å²	120	75 Å²	75	84%	0.839	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	0.2	175.9	51.6	0	0	0	0	114.4
208	N	79.3	Confident	69.4	Low	60 Å²	60	70.4 Å²	70.4	32%	0.321	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-2.6	-163.5	-62.4	0.8	0	0	0	113.2	T175 E177 S206	T175-N208 HydrophobicContact CG2-CB 4.34Å; E177-N208 PolarHBondContact OE2-ND2 2.94Å; S206-N208 PolarHBondContact O-N 2.97Å; S206-N208 VanDerWaalsContact O-N 3.13Å
209	K	89.7	Confident	71.8	Confident	59 Å²	59	67.1 Å²	67.1	26%	0.257	40%	0.398	S	S	.	.			trans	-76.6	140.8	172.7	-59.9	-176.6	-179.4	-169.9	0	110.7	Y173 Y181 D211 D214	Y173-K209 WeakPolarHBondContact OH-CA 3.48Å; Y181-K209 HydrophobicContact CD1-CD 4.49Å; Y181-K209 HydrophobicContact CD1-CG 4.19Å; Y181-K209 HydrophobicContact CE1-CD 4.26Å; Y181-K209 HydrophobicContact CE1-CG 3.97Å; Y181-K209 HydrophobicContact CE2-CG 4.38Å; K209-D211 WeakPolarHBondContact CB-O 3.5Å; K209-D214 HydrophobicContact CB-CB 4.47Å; K209-D214 HydrophobicContact CD-CB 4.37Å; K209-D214 WeakPolarHBondContact CE-O 3.37Å; K209-D214 PolarHBondContact NZ-O 2.9Å
210	R	91.4	Very high	74.1	Confident	169 Å²	169	69.5 Å²	69.5	64%	0.638	39%	0.394	S	S	*	.	S	Bend	trans	-73.1	-38.6	172.6	-65.4	177.5	-176.6	173.7	0.3	111.5	Y173 D183	Y173-R210 HydrophobicContact CE1-CB 4.27Å; Y173-R210 HydrophobicContact CE1-CG 4.05Å; Y173-R210 HydrophobicContact CE2-CG 3.91Å; Y173-R210 PolarHBondContact OH-N 3.24Å; D183-R210 IonicContact OD2-NH1 3.17Å
211	D	89.7	Confident	76.2	Confident	20 Å²	20	68.4 Å²	68.4	11%	0.107	39%	0.387	C	S	.	.	S	Bend	trans	-128.1	145.8	174.8	-168.1	-64.2	0	0	0	110.4	Q185 K209 R213 D214	Q185-D211 HydrophobicContact CG-CB 4.38Å; Q185-D211 WeakPolarHBondContact CG-OD2 2.85Å; Q185-D211 PolarHBondContact NE2-OD2 2.8Å; K209-D211 WeakPolarHBondContact CB-O 3.5Å; D211-R213 PolarHBondContact O-N 3.34Å; D211-R213 VanDerWaalsContact OD1-CB 3.29Å; D211-R213 WeakPolarHBondContact OD1-CB 3.47Å; D211-R213 WeakPolarHBondContact OD1-CG 3.41Å; D211-R213 IonicContact OD1-CZ 2.62Å; D211-R213 PolarHBondContact OD1-N 2.87Å; D211-R213 IonicContact OD1-NE 3.57Å; D211-R213 PolarHBondContact OD1-NE 3.38Å; D211-R213 IonicContact OD1-NH2 2.8Å; D211-R213 IonicContact OD2-CZ 2.65Å; D211-R213 IonicContact OD2-NE 2.98Å; D211-R213 PolarHBondContact OD2-NE 3.46Å; D211-R213 IonicContact OD2-NH2 2.69Å; D211-R213 PolarHBondContact OD2-NH2 2.83Å; D211-D214 PolarHBondContact N-OD2 2.84Å; D211-D214 WeakPolarHBondContact O-CB 3.49Å; D211-D214 PolarHBondContact O-N 3.31Å; D211-D214 VanDerWaalsContact O-N 3.12Å
212	S	88.6	Confident	78.5	Confident	86 Å²	86	69.8 Å²	69.8	60%	0.601	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.9	179.9	59.8	0	0	0	0	113.2
213	R	88.1	Confident	80.6	Confident	86 Å²	86	72 Å²	72	33%	0.325	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-16.1	176.9	-60.6	170.7	-67.5	167.3	1.5	113	V184 D211 F215	V184-R213 HydrophobicContact CB-CB 4.2Å; V184-R213 HydrophobicContact CG1-CB 4.17Å; V184-R213 HydrophobicContact CG2-CB 4.17Å; V184-R213 WeakPolarHBondContact CG2-O 3.46Å; D211-R213 PolarHBondContact O-N 3.34Å; D211-R213 VanDerWaalsContact OD1-CB 3.29Å; D211-R213 WeakPolarHBondContact OD1-CB 3.47Å; D211-R213 WeakPolarHBondContact OD1-CG 3.41Å; D211-R213 IonicContact OD1-CZ 2.62Å; D211-R213 PolarHBondContact OD1-N 2.87Å; D211-R213 IonicContact OD1-NE 3.57Å; D211-R213 PolarHBondContact OD1-NE 3.38Å; D211-R213 IonicContact OD1-NH2 2.8Å; D211-R213 IonicContact OD2-CZ 2.65Å; D211-R213 IonicContact OD2-NE 2.98Å; D211-R213 PolarHBondContact OD2-NE 3.46Å; D211-R213 IonicContact OD2-NH2 2.69Å; D211-R213 PolarHBondContact OD2-NH2 2.83Å; R213-F215 PolarHBondContact O-N 3.46Å
214	D	93.4	Very high	82.6	Confident	1 Å²	1	72 Å²	72	1%	0.005	39%	0.394	C	S	.	.			trans	-59.4	137.1	179.4	-67.6	-12.6	0	0	0	110.6	Y173 F182 V184 K209 D211	Y173-D214 WeakPolarHBondContact CE1-OD2 3.49Å; Y173-D214 PolarHBondContact OH-OD2 2.93Å; F182-D214 WeakPolarHBondContact O-CA 3.21Å; F182-D214 VanDerWaalsContact O-CB 3.25Å; F182-D214 WeakPolarHBondContact O-CB 3.3Å; F182-D214 VanDerWaalsContact O-OD1 3.12Å; V184-D214 PolarHBondContact N-OD1 3.01Å; K209-D214 HydrophobicContact CB-CB 4.47Å; K209-D214 HydrophobicContact CD-CB 4.37Å; K209-D214 WeakPolarHBondContact CE-O 3.37Å; K209-D214 PolarHBondContact NZ-O 2.9Å; D211-D214 PolarHBondContact N-OD2 2.84Å; D211-D214 WeakPolarHBondContact O-CB 3.49Å; D211-D214 PolarHBondContact O-N 3.31Å; D211-D214 VanDerWaalsContact O-N 3.12Å
215	F	94.5	Very high	84.9	Confident	19 Å²	19	66.7 Å²	66.7	8%	0.083	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.1	-177.8	56.1	-91.8	0	0	0	111	Y181 F182 V184 Y191 R213 L217 N271 Q275	Y181-F215 WeakPolarHBondContact CA-O 3.47Å; F182-F215 HydrophobicContact CB-CD1 4.3Å; F182-F215 HydrophobicContact CB-CD2 3.92Å; F182-F215 HydrophobicContact CB-CE1 3.91Å; F182-F215 HydrophobicContact CB-CE2 3.47Å; F182-F215 VanDerWaalsContact CB-CE2 3.47Å; F182-F215 HydrophobicContact CB-CG 4.31Å; F182-F215 HydrophobicContact CB-CZ 3.49Å; F182-F215 VanDerWaalsContact CB-CZ 3.49Å; F182-F215 AromaticContact CD1-CE1 3.61Å; F182-F215 HydrophobicContact CD1-CE1 3.61Å; F182-F215 HydrophobicContact CD1-CE2 4.35Å; F182-F215 AromaticContact CD1-CZ 3.49Å; F182-F215 HydrophobicContact CD1-CZ 3.49Å; F182-F215 VanDerWaalsContact CD1-CZ 3.49Å; F182-F215 HydrophobicContact CD2-CE2 4.35Å; F182-F215 HydrophobicContact CD2-CZ 4.05Å; F182-F215 HydrophobicContact CE1-CE1 4.41Å; F182-F215 HydrophobicContact CE1-CZ 4.23Å; F182-F215 AromaticContact CG-CE1 3.92Å; F182-F215 HydrophobicContact CG-CE1 3.92Å; F182-F215 AromaticContact CG-CE2 3.82Å; F182-F215 HydrophobicContact CG-CE2 3.82Å; F182-F215 AromaticContact CG-CZ 3.39Å; F182-F215 HydrophobicContact CG-CZ 3.39Å; F182-F215 PolarHBondContact N-O 2.86Å; V184-F215 HydrophobicContact CG2-CD1 4.01Å; V184-F215 HydrophobicContact CG2-CE1 3.83Å; Y191-F215 AromaticContact CE2-CE1 3.93Å; Y191-F215 HydrophobicContact CE2-CE1 3.93Å; R213-F215 PolarHBondContact O-N 3.46Å; F215-L217 HydrophobicContact CD2-CD2 4.21Å; F215-L217 HydrophobicContact CE2-CD2 3.86Å; F215-L217 PolarHBondContact O-N 3.3Å; F215-N271 WeakPolarHBondContact CD1-OD1 3.17Å; F215-N271 HydrophobicContact CD2-CB 4.27Å; F215-N271 HydrophobicContact CE1-CB 4.18Å; F215-N271 WeakPolarHBondContact CE1-OD1 3.39Å; F215-N271 HydrophobicContact CE2-CB 3.84Å; F215-N271 HydrophobicContact CZ-CB 3.78Å; F215-Q275 HydrophobicContact CE2-CG 3.87Å; F215-Q275 HydrophobicContact CZ-CG 4.22Å
216	A	95.4	Very high	87.1	Confident	17 Å²	17	66.4 Å²	66.4	14%	0.14	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129.2	-173.9	0	0	0	0	0	110.6	V180 Y181 K219	V180-A216 CarbonylContact O-C 3.54Å; V180-A216 WeakPolarHBondContact O-CA 3.33Å; Y181-A216 HydrophobicContact CD1-CB 4.21Å; Y181-A216 HydrophobicContact CE1-CB 3.95Å; A216-K219 HydrophobicContact CB-CG 3.92Å
217	L	97.3	Very high	89.1	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-37.2	165.6	-57.7	-175.5	0	0	0	110.7	I163 I166 A172 V180 F182 F215 G238 I241 Q275	I163-L217 HydrophobicContact CD1-CB 3.99Å; I163-L217 WeakPolarHBondContact CD1-O 3.36Å; I163-L217 HydrophobicContact CG1-CB 4.01Å; I163-L217 HydrophobicContact CG2-CB 4.21Å; I163-L217 HydrophobicContact CG2-CD1 4.22Å; I166-L217 HydrophobicContact CD1-CD1 4.1Å; I166-L217 HydrophobicContact CG2-CD1 4.18Å; A172-L217 HydrophobicContact CB-CD1 3.65Å; V180-L217 HydrophobicContact CB-CB 4.49Å; V180-L217 HydrophobicContact CG1-CB 4.31Å; V180-L217 HydrophobicContact CG1-CD1 4.39Å; V180-L217 PolarHBondContact O-N 3.44Å; F182-L217 HydrophobicContact CB-CD1 4.19Å; F182-L217 HydrophobicContact CB-CD2 3.92Å; F182-L217 HydrophobicContact CB-CG 4.01Å; F182-L217 HydrophobicContact CD2-CD1 4.27Å; F182-L217 HydrophobicContact CD2-CD2 4.35Å; F215-L217 HydrophobicContact CD2-CD2 4.21Å; F215-L217 HydrophobicContact CE2-CD2 3.86Å; F215-L217 PolarHBondContact O-N 3.3Å; L217-G238 PolarHBondContact O-N 3.05Å; L217-I241 HydrophobicContact CD2-CD1 3.96Å; L217-I241 HydrophobicContact CD2-CG1 4.4Å; L217-I241 WeakPolarHBondContact O-CG2 3.37Å; L217-Q275 HydrophobicContact CD2-CG 3.88Å
218	W	97.1	Very high	90.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.9	175.5	-169.4	-104.3	0	0	0	108.9	M156 V160 I163 D179 V180 W228 S230 W232 G235 P237	M156-W218 HydrophobicContact CG-CH2 4.4Å; M156-W218 HydrophobicContact SD-CH2 3.73Å; M156-W218 HydrophobicContact SD-CZ3 3.57Å; M156-W218 VanDerWaalsContact SD-CZ3 3.57Å; V160-W218 HydrophobicContact CG2-CH2 4.01Å; V160-W218 HydrophobicContact CG2-CZ3 3.9Å; I163-W218 HydrophobicContact CD1-CB 4.16Å; I163-W218 HydrophobicContact CD1-CE3 4.09Å; D179-W218 WeakPolarHBondContact CA-O 3.46Å; V180-W218 HydrophobicContact CB-CB 3.77Å; V180-W218 HydrophobicContact CG2-CB 3.85Å; V180-W218 PolarHBondContact N-O 2.69Å; V180-W218 PolarHBondContact O-N 2.8Å; V180-W218 VanDerWaalsContact O-N 3.15Å; W218-W228 HydrophobicContact CH2-CB 4.13Å; W218-S230 PolarHBondContact NE1-OG 3.2Å; W218-W232 HydrophobicContact CB-CE3 4.32Å; W218-W232 HydrophobicContact CD2-CE3 4.39Å; W218-W232 HydrophobicContact CG-CE3 4.06Å; W218-W232 HydrophobicContact CG-CZ3 4.5Å; W218-G235 VanDerWaalsContact CE2-C 3.49Å; W218-G235 WeakPolarHBondContact CZ2-O 3.27Å; W218-P237 HydrophobicContact CZ3-CG 4.28Å
219	K	94	Very high	91.7	Very high	54 Å²	54	67 Å²	67	24%	0.235	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.3	175	-68.3	177.6	175.5	176.2	0	108.5	D110 D179 A216 S221 G235 R236	D110-K219 IonicContact OD1-NZ 3.94Å; D110-K219 IonicContact OD2-NZ 3.59Å; D110-K219 PolarHBondContact OD2-NZ 3.3Å; D110-K219 VanDerWaalsContact OD2-NZ 3.13Å; D179-K219 WeakPolarHBondContact OD1-CA 3.31Å; A216-K219 HydrophobicContact CB-CG 3.92Å; K219-S221 PolarHBondContact O-N 3.21Å; K219-G235 CarbonylContact O-C 3.48Å; K219-G235 WeakPolarHBondContact O-CA 3.26Å; K219-R236 HydrophobicContact CB-CG 4.47Å; K219-R236 PolarHBondContact N-O 2.93Å; K219-R236 PolarHBondContact O-N 3.47Å
220	R	93.9	Very high	92	Very high	140 Å²	140	65 Å²	65	53%	0.528	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	130.8	168.6	-175.7	-147.4	178.8	140.4	-11.2	109.1	E177 D179	E177-R220 WeakPolarHBondContact O-CD 3.48Å; E177-R220 PolarHBondContact O-NH1 3.08Å; D179-R220 PolarHBondContact OD1-N 2.92Å
221	S	90.1	Very high	92.3	Very high	16 Å²	16	60.8 Å²	60.8	11%	0.112	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-76.3	139.4	179.7	-71	0	0	0	0	110.6	K219 P226 H227 R234 G235	K219-S221 PolarHBondContact O-N 3.21Å; S221-P226 PolarHBondContact OG-O 2.89Å; S221-H227 WeakPolarHBondContact OG-CB 3.48Å; S221-R234 PolarHBondContact N-O 2.99Å; S221-R234 VanDerWaalsContact N-O 3.09Å; S221-G235 VanDerWaalsContact OG-CA 3.27Å; S221-G235 WeakPolarHBondContact OG-CA 3.06Å
222	K	88.6	Confident	92.6	Very high	154 Å²	154	61.9 Å²	61.9	67%	0.67	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-77.3	167.3	169.9	-59.8	179.3	-170	162.9	0	110.4	Q224 E225	K222-Q224 PolarHBondContact O-N 3Å; K222-E225 HydrophobicContact CB-CG 4.11Å; K222-E225 WeakPolarHBondContact CD-OE1 3.44Å; K222-E225 PolarHBondContact O-N 2.82Å
223	A	84.6	Confident	92.9	Very high	92 Å²	92	59.3 Å²	59.3	76%	0.76	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	135.7	172.2	0	0	0	0	0	110	E225	A223-E225 PolarHBondContact O-N 2.69Å
224	Q	82.9	Confident	93.3	Very high	180 Å²	180	61.7 Å²	61.7	84%	0.841	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	1.6	-179.9	-49.2	175	-0.6	0	0	116.2	K222	K222-Q224 PolarHBondContact O-N 3Å
225	E	89.3	Confident	93.4	Very high	18 Å²	18	61.6 Å²	61.6	8%	0.084	31%	0.309	C	S	.	.	S	Bend	trans	-80.2	149.2	167.3	-67.6	-174.5	-168.2	0	0	110.9	I113 W117 K222 A223 H227 R236	I113-E225 HydrophobicContact CD1-CG 4.48Å; I113-E225 HydrophobicContact CG2-CG 4.33Å; W117-E225 HydrophobicContact CH2-CG 4.32Å; W117-E225 HydrophobicContact CZ2-CG 4.22Å; K222-E225 HydrophobicContact CB-CG 4.11Å; K222-E225 WeakPolarHBondContact CD-OE1 3.44Å; K222-E225 PolarHBondContact O-N 2.82Å; A223-E225 PolarHBondContact O-N 2.69Å; E225-H227 PolarHBondContact O-ND1 3.4Å; E225-R236 IonicContact OE2-CZ 3.93Å; E225-R236 IonicContact OE2-NE 2.77Å; E225-R236 PolarHBondContact OE2-NE 2.97Å; E225-R236 VanDerWaalsContact OE2-NE 3.15Å; E225-R236 IonicContact OE2-NH2 2.62Å; E225-R236 PolarHBondContact OE2-NH2 2.79Å
226	P	90.6	Very high	93.4	Very high	37 Å²	37	61.3 Å²	61.3	24%	0.24	31%	0.307	C	S	.	.			trans	-53.6	144.3	163.9	-23	33.6	0	0	0	110.9	I108 I113 P123 S221 W228	I108-P226 HydrophobicContact CD1-CB 3.98Å; I108-P226 HydrophobicContact CD1-CG 4.05Å; I113-P226 HydrophobicContact CG1-CG 4.3Å; P123-P226 HydrophobicContact CB-CG 4.31Å; P123-P226 HydrophobicContact CG-CG 3.83Å; S221-P226 PolarHBondContact OG-O 2.89Å; P226-W228 HydrophobicContact CB-CH2 4.28Å; P226-W228 HydrophobicContact CB-CZ3 4.23Å
227	H	94.7	Very high	93.4	Very high	64 Å²	64	61 Å²	61	30%	0.296	30%	0.304	S	S	.	.			trans	-153.5	160.3	-177.7	65.1	-76.8	0	0	0	110.7	S221 E225 R234 G235	S221-H227 WeakPolarHBondContact OG-CB 3.48Å; E225-H227 PolarHBondContact O-ND1 3.4Å; H227-R234 HydrophobicContact CB-CB 4.27Å; H227-R234 PolarHBondContact CD2-NE 3.4Å; H227-R234 PolarHBondContact CE1-NH2 2.76Å; H227-R234 PolarHBondContact ND1-NH2 3.31Å; H227-R234 PolarHBondContact NE2-NE 2.87Å; H227-R234 VanDerWaalsContact NE2-NE 3.16Å; H227-R234 PolarHBondContact NE2-NH2 2.98Å; H227-G235 CarbonylContact C-O 3.56Å; H227-G235 VanDerWaalsContact CA-O 3.31Å; H227-G235 WeakPolarHBondContact CA-O 3.11Å
228	W	95.8	Very high	93	Very high	66 Å²	66	61 Å²	61	25%	0.25	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-128.6	150.9	170.9	-67.1	-101.7	0	0	0	108.7	I108 T153 M156 W218 P226 R234 G235 R236	I108-W228 HydrophobicContact CB-CH2 4.26Å; I108-W228 HydrophobicContact CD1-CH2 4.21Å; I108-W228 HydrophobicContact CD1-CZ3 4.38Å; I108-W228 HydrophobicContact CG1-CH2 3.88Å; I108-W228 HydrophobicContact CG1-CZ3 3.94Å; I108-W228 HydrophobicContact CG2-CH2 4.39Å; T153-W228 HydrophobicContact CG2-CH2 3.94Å; T153-W228 HydrophobicContact CG2-CZ2 3.74Å; M156-W228 HydrophobicContact CB-CG 4.35Å; M156-W228 HydrophobicContact CE-CD2 3.57Å; M156-W228 HydrophobicContact CE-CE3 3.71Å; M156-W228 HydrophobicContact CE-CG 4.09Å; M156-W228 HydrophobicContact CE-CH2 4.22Å; M156-W228 HydrophobicContact CE-CZ2 4.06Å; M156-W228 HydrophobicContact CE-CZ3 4.05Å; M156-W228 HydrophobicContact CG-CB 3.76Å; M156-W228 HydrophobicContact CG-CD2 4.08Å; M156-W228 HydrophobicContact CG-CG 3.53Å; M156-W228 HydrophobicContact SD-CB 4.32Å; M156-W228 HydrophobicContact SD-CD2 4.15Å; M156-W228 HydrophobicContact SD-CE3 4.37Å; M156-W228 HydrophobicContact SD-CG 4.12Å; W218-W228 HydrophobicContact CH2-CB 4.13Å; P226-W228 HydrophobicContact CB-CH2 4.28Å; P226-W228 HydrophobicContact CB-CZ3 4.23Å; W228-R234 WeakPolarHBondContact O-CA 3.28Å; W228-G235 PolarHBondContact N-O 3.35Å; W228-G235 PolarHBondContact O-N 2.96Å; W228-R236 HydrophobicContact CE3-CB 4.09Å; W228-R236 HydrophobicContact CZ3-CB 4.02Å
229	E	95.4	Very high	92.1	Very high	128 Å²	128	66.1 Å²	66.1	60%	0.598	32%	0.323	S	S	*	.			trans	-72.5	141.1	172.8	-64.9	-61.3	160.2	0	0	110	R234	E229-R234 WeakPolarHBondContact OE1-CD 3.34Å; E229-R234 WeakPolarHBondContact OE1-CG 3.47Å; E229-R234 WeakPolarHBondContact OE2-CG 3.47Å
230	S	96.7	Very high	91.8	Very high	18 Å²	18	64.1 Å²	64.1	13%	0.126	32%	0.315	C	S	.	.			trans	-149.2	166.2	177.7	81.6	0	0	0	0	110.2	W218 W232 G233	W218-S230 PolarHBondContact NE1-OG 3.2Å; S230-W232 PolarHBondContact O-N 2.95Å; S230-W232 PolarHBondContact OG-N 2.97Å; S230-G233 PolarHBondContact N-O 3.35Å; S230-G233 PolarHBondContact O-N 2.93Å; S230-G233 PolarHBondContact OG-N 2.79Å; S230-G233 PolarHBondContact OG-O 3.03Å
231	P	97.1	Very high	92	Very high	81 Å²	81	57.5 Å²	57.5	53%	0.526	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.8	173.4	-23.6	32.9	0	0	0	114.3	V160 E164	V160-P231 HydrophobicContact CG1-CG 4.22Å; E164-P231 HydrophobicContact CG-CG 4.44Å; E164-P231 VanDerWaalsContact OE1-CG 3.25Å; E164-P231 WeakPolarHBondContact OE1-CG 3.4Å
232	W	96.5	Very high	92.3	Very high	43 Å²	43	57.1 Å²	57.1	16%	0.163	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	9.1	-180	-41.4	-68.9	0	0	0	112.6	V160 I163 E164 I167 A174 G178 V180 W218 S230	V160-W232 HydrophobicContact CG1-CH2 4.22Å; V160-W232 HydrophobicContact CG1-CZ3 4.15Å; I163-W232 HydrophobicContact CB-CH2 3.57Å; I163-W232 HydrophobicContact CB-CZ2 4.42Å; I163-W232 HydrophobicContact CB-CZ3 4.07Å; I163-W232 HydrophobicContact CD1-CZ3 4.35Å; I163-W232 HydrophobicContact CG2-CH2 3.28Å; I163-W232 HydrophobicContact CG2-CZ2 3.77Å; I163-W232 HydrophobicContact CG2-CZ3 3.76Å; E164-W232 HydrophobicContact CG-CH2 3.82Å; E164-W232 HydrophobicContact CG-CZ2 3.73Å; I167-W232 HydrophobicContact CD1-CZ2 3.48Å; I167-W232 VanDerWaalsContact CD1-CZ2 3.48Å; A174-W232 VanDerWaalsContact CB-CD1 3.48Å; A174-W232 HydrophobicContact CB-CG 4.23Å; G178-W232 VanDerWaalsContact CA-O 3.23Å; G178-W232 WeakPolarHBondContact CA-O 3.36Å; V180-W232 HydrophobicContact CG2-CB 4.07Å; V180-W232 HydrophobicContact CG2-CD2 3.32Å; V180-W232 HydrophobicContact CG2-CE3 3.65Å; V180-W232 HydrophobicContact CG2-CG 3.48Å; V180-W232 VanDerWaalsContact CG2-CG 3.48Å; V180-W232 HydrophobicContact CG2-CZ2 4.45Å; V180-W232 HydrophobicContact CG2-CZ3 4.34Å; W218-W232 HydrophobicContact CB-CE3 4.32Å; W218-W232 HydrophobicContact CD2-CE3 4.39Å; W218-W232 HydrophobicContact CG-CE3 4.06Å; W218-W232 HydrophobicContact CG-CZ3 4.5Å; S230-W232 PolarHBondContact O-N 2.95Å; S230-W232 PolarHBondContact OG-N 2.97Å
233	G	95.1	Very high	92.7	Very high	31 Å²	31	49.8 Å²	49.8	32%	0.32	25%	0.254	S	S	.	.			trans	92.9	-172.9	-176.6	0	0	0	0	0	113.5	S230 G235	S230-G233 PolarHBondContact N-O 3.35Å; S230-G233 PolarHBondContact O-N 2.93Å; S230-G233 PolarHBondContact OG-N 2.79Å; S230-G233 PolarHBondContact OG-O 3.03Å; G233-G235 PolarHBondContact O-N 3.44Å
234	R	95.5	Very high	93.3	Very high	136 Å²	136	45.4 Å²	45.4	51%	0.513	22%	0.218	S	C	.	.	S	Bend	trans	-67	122.6	-175.6	-70.8	169.1	65.6	152.7	-5.1	111.3	S221 H227 W228 E229	S221-R234 PolarHBondContact N-O 2.99Å; S221-R234 VanDerWaalsContact N-O 3.09Å; H227-R234 HydrophobicContact CB-CB 4.27Å; H227-R234 PolarHBondContact CD2-NE 3.4Å; H227-R234 PolarHBondContact CE1-NH2 2.76Å; H227-R234 PolarHBondContact ND1-NH2 3.31Å; H227-R234 PolarHBondContact NE2-NE 2.87Å; H227-R234 VanDerWaalsContact NE2-NE 3.16Å; H227-R234 PolarHBondContact NE2-NH2 2.98Å; W228-R234 WeakPolarHBondContact O-CA 3.28Å; E229-R234 WeakPolarHBondContact OE1-CD 3.34Å; E229-R234 WeakPolarHBondContact OE1-CG 3.47Å; E229-R234 WeakPolarHBondContact OE2-CG 3.47Å
235	G	95.3	Very high	94	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-161.9	179.9	0	0	0	0	0	113.7	W218 K219 S221 H227 W228 G233	W218-G235 VanDerWaalsContact CE2-C 3.49Å; W218-G235 WeakPolarHBondContact CZ2-O 3.27Å; K219-G235 CarbonylContact O-C 3.48Å; K219-G235 WeakPolarHBondContact O-CA 3.26Å; S221-G235 VanDerWaalsContact OG-CA 3.27Å; S221-G235 WeakPolarHBondContact OG-CA 3.06Å; H227-G235 CarbonylContact C-O 3.56Å; H227-G235 VanDerWaalsContact CA-O 3.31Å; H227-G235 WeakPolarHBondContact CA-O 3.11Å; W228-G235 PolarHBondContact N-O 3.35Å; W228-G235 PolarHBondContact O-N 2.96Å; G233-G235 PolarHBondContact O-N 3.44Å
236	R	95.3	Very high	94.3	Very high	12 Å²	12	36.2 Å²	36.2	5%	0.045	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	164.5	178.5	61.6	-175.9	167.1	84.7	-1.4	110.6	D110 K219 E225 W228 G238	D110-R236 IonicContact OD1-CZ 2.86Å; D110-R236 IonicContact OD1-NH1 3.06Å; D110-R236 PolarHBondContact OD1-NH1 3.23Å; D110-R236 IonicContact OD1-NH2 3.2Å; D110-R236 PolarHBondContact OD1-NH2 2.97Å; K219-R236 HydrophobicContact CB-CG 4.47Å; K219-R236 PolarHBondContact N-O 2.93Å; K219-R236 PolarHBondContact O-N 3.47Å; E225-R236 IonicContact OE2-CZ 3.93Å; E225-R236 IonicContact OE2-NE 2.77Å; E225-R236 PolarHBondContact OE2-NE 2.97Å; E225-R236 VanDerWaalsContact OE2-NE 3.15Å; E225-R236 IonicContact OE2-NH2 2.62Å; E225-R236 PolarHBondContact OE2-NH2 2.79Å; W228-R236 HydrophobicContact CE3-CB 4.09Å; W228-R236 HydrophobicContact CZ3-CB 4.02Å; R236-G238 PolarHBondContact O-N 3.11Å
237	P	95.5	Very high	94.6	Very high	11 Å²	11	34.4 Å²	34.4	7%	0.071	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	138.5	177.7	-25.5	36.6	0	0	0	111.9	V152 M156 I159 W218 I241	V152-P237 HydrophobicContact CG1-CG 4.04Å; M156-P237 HydrophobicContact CE-CG 3.57Å; M156-P237 VanDerWaalsContact SD-CD 3.58Å; M156-P237 HydrophobicContact SD-CG 3.52Å; M156-P237 VanDerWaalsContact SD-CG 3.52Å; I159-P237 HydrophobicContact CD1-CB 4.29Å; I159-P237 HydrophobicContact CD1-CG 3.7Å; I159-P237 HydrophobicContact CG2-CB 4.26Å; I159-P237 HydrophobicContact CG2-CG 4.07Å; W218-P237 HydrophobicContact CZ3-CG 4.28Å; P237-I241 HydrophobicContact CB-CG2 3.68Å
238	G	89.3	Confident	94.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-81.3	142	164.6	0	0	0	0	0	109.8	L217 R236 H240 I241	L217-G238 PolarHBondContact O-N 3.05Å; R236-G238 PolarHBondContact O-N 3.11Å; G238-H240 PolarHBondContact O-N 2.96Å; G238-I241 VanDerWaalsContact O-CG2 3.24Å; G238-I241 WeakPolarHBondContact O-CG2 3.24Å; G238-I241 PolarHBondContact O-N 3.24Å
239	W	78.4	Confident	94.6	Very high	108 Å²	108	33.5 Å²	33.5	41%	0.409	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	132.8	-178.4	-170.2	14.2	0	0	0	110.6	H268	W239-H268 AromaticContact CD1-CE1 3.88Å; W239-H268 AromaticContact CD1-ND1 3.69Å; W239-H268 AromaticContact CE2-ND1 3.55Å; W239-H268 AromaticContact CZ2-ND1 3.95Å; W239-H268 AromaticContact NE1-CE1 3.22Å; W239-H268 PolarHBondContact NE1-CE1 3.24Å; W239-H268 AromaticContact NE1-ND1 2.98Å; W239-H268 PolarHBondContact NE1-ND1 2.91Å
240	H	88.1	Confident	94.6	Very high	12 Å²	12	31 Å²	31	6%	0.056	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.4	-33.7	175.4	-46.8	-42.8	0	0	0	113.1	G238 E242 C243 S244 H268 N271 Q275	G238-H240 PolarHBondContact O-N 2.96Å; H240-E242 PolarHBondContact N-OE2 3.33Å; H240-E242 PolarHBondContact O-N 3.05Å; H240-C243 PolarHBondContact O-N 3.17Å; H240-S244 PolarHBondContact O-N 3.03Å; H240-H268 AromaticContact CE1-CG 3.92Å; H240-H268 AromaticContact CE1-ND1 3.5Å; H240-H268 WeakPolarHBondContact ND1-CA 3.37Å; H240-H268 AromaticContact ND1-CE1 3.78Å; H240-H268 AromaticContact ND1-CG 3.4Å; H240-H268 AromaticContact ND1-ND1 2.85Å; H240-H268 PolarHBondContact ND1-ND1 2.89Å; H240-N271 HydrophobicContact CB-CB 3.99Å; H240-N271 PolarHBondContact CD2-ND2 2.62Å; H240-N271 PolarHBondContact NE2-ND2 2.89Å; H240-Q275 PolarHBondContact O-OE1 3.44Å
241	I	97.2	Very high	94.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-29.8	-173.9	-163	51.1	0	0	0	112.9	I159 F162 I163 I166 L217 P237 G238 C243 T245 Q275	I159-I241 HydrophobicContact CG2-CG1 4.22Å; I159-I241 HydrophobicContact CG2-CG2 3.81Å; F162-I241 HydrophobicContact CD1-CD1 3.57Å; F162-I241 HydrophobicContact CE1-CD1 3.85Å; I163-I241 HydrophobicContact CD1-CG1 4.03Å; I163-I241 HydrophobicContact CG1-CD1 4.15Å; I163-I241 HydrophobicContact CG1-CG1 3.7Å; I166-I241 HydrophobicContact CD1-CD1 4.03Å; L217-I241 HydrophobicContact CD2-CD1 3.96Å; L217-I241 HydrophobicContact CD2-CG1 4.4Å; L217-I241 WeakPolarHBondContact O-CG2 3.37Å; P237-I241 HydrophobicContact CB-CG2 3.68Å; G238-I241 VanDerWaalsContact O-CG2 3.24Å; G238-I241 WeakPolarHBondContact O-CG2 3.24Å; G238-I241 PolarHBondContact O-N 3.24Å; I241-C243 VanDerWaalsContact C-N 3.34Å; I241-C243 PolarHBondContact O-N 3.36Å; I241-T245 VanDerWaalsContact O-CB 3.32Å; I241-T245 WeakPolarHBondContact O-CB 3.49Å; I241-T245 PolarHBondContact O-N 2.62Å; I241-T245 PolarHBondContact O-OG1 3.13Å; I241-Q275 HydrophobicContact CD1-CB 4.38Å; I241-Q275 HydrophobicContact CD1-CG 4.09Å
242	E	96.3	Very high	94.5	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.037	14%	0.141	C	C	.	.	H	α-helix	trans	-62.5	-42.3	179.3	65.5	-83.9	-167	0	0	111.6	V152 I159 H240 T245 V246	V152-E242 HydrophobicContact CB-CB 4.37Å; V152-E242 HydrophobicContact CG1-CB 3.86Å; V152-E242 HydrophobicContact CG2-CB 3.63Å; V152-E242 HydrophobicContact CG2-CG 3.71Å; I159-E242 HydrophobicContact CD1-CB 4.16Å; H240-E242 PolarHBondContact N-OE2 3.33Å; H240-E242 PolarHBondContact O-N 3.05Å; E242-T245 PolarHBondContact O-N 3.45Å; E242-V246 VanDerWaalsContact O-CB 3.31Å; E242-V246 WeakPolarHBondContact O-CB 3.36Å; E242-V246 WeakPolarHBondContact O-CG2 3.45Å; E242-V246 PolarHBondContact O-N 2.85Å
243	C	97.2	Very high	94.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-49.6	-179.4	-66.6	0	0	0	0	111.1	Y63 H240 I241 T245 V246 A247 H268 E272	Y63-C243 HydrophobicContact CE1-CB 4.11Å; Y63-C243 VanDerWaalsContact OH-CA 3.24Å; Y63-C243 WeakPolarHBondContact OH-CA 3.34Å; Y63-C243 WeakPolarHBondContact OH-CB 3.32Å; H240-C243 PolarHBondContact O-N 3.17Å; I241-C243 VanDerWaalsContact C-N 3.34Å; I241-C243 PolarHBondContact O-N 3.36Å; C243-T245 VanDerWaalsContact C-N 3.28Å; C243-T245 PolarHBondContact O-N 3.38Å; C243-V246 PolarHBondContact O-N 3.45Å; C243-A247 WeakPolarHBondContact O-CB 3.28Å; C243-A247 PolarHBondContact O-N 3.1Å; C243-H268 VanDerWaalsContact SG-CE1 3.59Å; C243-H268 PolarHBondContact SG-NE2 3.21Å; C243-E272 HydrophobicContact CB-CG 3.94Å; C243-E272 WeakPolarHBondContact CB-OE1 3.32Å; C243-E272 WeakPolarHBondContact CB-OE2 3.23Å
244	S	97.9	Very high	94.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-54.6	-44.9	176	-64.3	0	0	0	0	112.4	H240 S248 E272 Q275 S276	H240-S244 PolarHBondContact O-N 3.03Å; S244-S248 WeakPolarHBondContact O-CB 3.44Å; S244-S248 PolarHBondContact O-N 3.31Å; S244-S248 PolarHBondContact O-OG 3.22Å; S244-E272 WeakPolarHBondContact OG-CA 3.35Å; S244-E272 WeakPolarHBondContact OG-CB 3.3Å; S244-E272 PolarHBondContact OG-O 3.49Å; S244-Q275 WeakPolarHBondContact OG-CB 3.43Å; S244-Q275 PolarHBondContact OG-OE1 3.08Å; S244-S276 WeakPolarHBondContact CB-OG 3.33Å; S244-S276 PolarHBondContact OG-OG 2.81Å
245	T	97.5	Very high	94.2	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-52.1	-179.3	-58.9	0	0	0	0	110.7	H158 I159 F162 I241 E242 C243 S248 H249	H158-T245 VanDerWaalsContact C-CG2 3.42Å; H158-T245 HydrophobicContact CB-CG2 3.65Å; I159-T245 HydrophobicContact CB-CG2 4.39Å; I159-T245 HydrophobicContact CG1-CG2 3.8Å; F162-T245 HydrophobicContact CB-CG2 4.07Å; F162-T245 HydrophobicContact CG-CG2 4.43Å; I241-T245 VanDerWaalsContact O-CB 3.32Å; I241-T245 WeakPolarHBondContact O-CB 3.49Å; I241-T245 PolarHBondContact O-N 2.62Å; I241-T245 PolarHBondContact O-OG1 3.13Å; E242-T245 PolarHBondContact O-N 3.45Å; C243-T245 VanDerWaalsContact C-N 3.28Å; C243-T245 PolarHBondContact O-N 3.38Å; T245-S248 PolarHBondContact O-N 3.05Å; T245-H249 VanDerWaalsContact O-CB 3.29Å; T245-H249 WeakPolarHBondContact O-CB 3.4Å; T245-H249 PolarHBondContact O-N 3.18Å
246	V	95.3	Very high	94.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-65.5	-46.1	-175.4	168.9	0	0	0	0	110.8	Y63 V104 L150 N155 E242 C243 H249 M250	Y63-V246 HydrophobicContact CE2-CG1 4Å; V104-V246 HydrophobicContact CB-CG1 4.38Å; V104-V246 HydrophobicContact CG2-CG2 4.16Å; L150-V246 HydrophobicContact CB-CG1 3.51Å; L150-V246 HydrophobicContact CB-CG2 4.38Å; L150-V246 HydrophobicContact CD1-CG1 3.35Å; L150-V246 HydrophobicContact CG-CG1 4Å; N155-V246 HydrophobicContact CB-CG2 4.28Å; E242-V246 VanDerWaalsContact O-CB 3.31Å; E242-V246 WeakPolarHBondContact O-CB 3.36Å; E242-V246 WeakPolarHBondContact O-CG2 3.45Å; E242-V246 PolarHBondContact O-N 2.85Å; C243-V246 PolarHBondContact O-N 3.45Å; V246-H249 PolarHBondContact O-N 3.47Å; V246-M250 WeakPolarHBondContact O-CG 3.37Å; V246-M250 PolarHBondContact O-N 3.05Å; V246-M250 VanDerWaalsContact O-N 3.07Å
247	A	97.1	Very high	94.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.6	-42.1	177.1	0	0	0	0	0	111.6	Y63 C243 M250 F251 W285	Y63-A247 HydrophobicContact CD1-CB 3.9Å; Y63-A247 HydrophobicContact CD2-CB 3.65Å; Y63-A247 HydrophobicContact CE1-CB 4.09Å; Y63-A247 HydrophobicContact CE2-CB 3.87Å; Y63-A247 HydrophobicContact CG-CB 3.65Å; C243-A247 WeakPolarHBondContact O-CB 3.28Å; C243-A247 PolarHBondContact O-N 3.1Å; A247-M250 PolarHBondContact O-N 3.33Å; A247-F251 WeakPolarHBondContact O-CB 3.26Å; A247-F251 PolarHBondContact O-N 3Å; A247-W285 HydrophobicContact CB-CH2 3.97Å; A247-W285 HydrophobicContact CB-CZ2 3.57Å
248	S	95.8	Very high	94.6	Very high	10 Å²	10	26.4 Å²	26.4	7%	0.07	13%	0.134	C	C	.	.	H	α-helix	trans	-68.1	-33.8	175.5	-67.1	0	0	0	0	113.4	F162 S244 T245 G252 H280	F162-S248 WeakPolarHBondContact CE2-OG 3.47Å; S244-S248 WeakPolarHBondContact O-CB 3.44Å; S244-S248 PolarHBondContact O-N 3.31Å; S244-S248 PolarHBondContact O-OG 3.22Å; T245-S248 PolarHBondContact O-N 3.05Å; S248-G252 WeakPolarHBondContact O-CA 3.39Å; S248-G252 PolarHBondContact O-N 3.17Å; S248-H280 VanDerWaalsContact CB-NE2 3.32Å; S248-H280 WeakPolarHBondContact CB-NE2 3.44Å; S248-H280 PolarHBondContact OG-NE2 3.48Å
249	H	94.6	Very high	95.1	Very high	101 Å²	101	26.4 Å²	26.4	47%	0.468	13%	0.134	S	C	.	.	H	α-helix	trans	-66	-41.3	175.9	-177.7	70.7	0	0	0	111.2	H158 T245 V246	H158-H249 AromaticContact CE1-CE1 3.21Å; H158-H249 PolarHBondContact CE1-CE1 2.95Å; H158-H249 AromaticContact CE1-ND1 3.46Å; H158-H249 PolarHBondContact CE1-ND1 3.23Å; H158-H249 AromaticContact CE1-NE2 3.99Å; H158-H249 AromaticContact ND1-CE1 3.92Å; H158-H249 AromaticContact ND1-ND1 3.69Å; H158-H249 AromaticContact NE2-CE1 3.37Å; H158-H249 PolarHBondContact NE2-CE1 3.32Å; H158-H249 AromaticContact NE2-ND1 3.76Å; H158-H249 AromaticContact NE2-NE2 3.69Å; T245-H249 VanDerWaalsContact O-CB 3.29Å; T245-H249 WeakPolarHBondContact O-CB 3.4Å; T245-H249 PolarHBondContact O-N 3.18Å; V246-H249 PolarHBondContact O-N 3.47Å
250	M	94.8	Very high	95.9	Very high	74 Å²	74	21.4 Å²	21.4	37%	0.365	12%	0.116	S	C	.	.	H	α-helix	trans	-76.8	-42.8	-179.6	-70.8	-61.4	-60.1	0	0	113.5	A102 V148 L150 V246 A247	A102-M250 HydrophobicContact CB-CG 4.48Å; V148-M250 HydrophobicContact CG1-CE 3.71Å; V148-M250 HydrophobicContact CG1-SD 4.31Å; L150-M250 HydrophobicContact CD1-CG 3.41Å; L150-M250 VanDerWaalsContact CD1-CG 3.41Å; L150-M250 HydrophobicContact CD1-SD 3.73Å; V246-M250 WeakPolarHBondContact O-CG 3.37Å; V246-M250 PolarHBondContact O-N 3.05Å; V246-M250 VanDerWaalsContact O-N 3.07Å; A247-M250 PolarHBondContact O-N 3.33Å
251	F	96.6	Very high	96.2	Very high	29 Å²	29	21.3 Å²	21.3	13%	0.127	12%	0.118	C	C	.	.	H	α-helix	trans	-120.1	-2.3	-167.4	-55.4	-56.6	0	0	0	113.9	T61 I100 A102 A247 Q254 L255	T61-F251 HydrophobicContact CG2-CD1 3.58Å; T61-F251 HydrophobicContact CG2-CE1 3.91Å; T61-F251 HydrophobicContact CG2-CG 4.35Å; I100-F251 HydrophobicContact CB-CE1 4.45Å; I100-F251 HydrophobicContact CG2-CE1 3.94Å; I100-F251 HydrophobicContact CG2-CZ 4.35Å; I100-F251 WeakPolarHBondContact O-CZ 3.32Å; A102-F251 HydrophobicContact CB-CE2 3.82Å; A102-F251 HydrophobicContact CB-CZ 3.83Å; A247-F251 WeakPolarHBondContact O-CB 3.26Å; A247-F251 PolarHBondContact O-N 3Å; F251-Q254 PolarHBondContact O-N 3.22Å; F251-L255 HydrophobicContact CB-CD1 4.41Å; F251-L255 HydrophobicContact CD2-CD1 3.72Å; F251-L255 HydrophobicContact CE2-CD1 4.22Å; F251-L255 HydrophobicContact CG-CD1 4.18Å
252	G	95.7	Very high	96	Very high	27 Å²	27	24.7 Å²	24.7	28%	0.278	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	-139.5	-178.8	0	0	0	0	0	112.3	S248 Q254 H280 W285	S248-G252 WeakPolarHBondContact O-CA 3.39Å; S248-G252 PolarHBondContact O-N 3.17Å; G252-Q254 VanDerWaalsContact C-N 3.31Å; G252-H280 PolarHBondContact O-NE2 2.8Å; G252-W285 PolarHBondContact O-NE1 3.27Å
253	S	94.1	Very high	95.7	Very high	55 Å²	55	27.8 Å²	27.8	39%	0.385	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	6.9	179	59.4	0	0	0	0	114
254	Q	88.3	Confident	95.6	Very high	122 Å²	122	29.5 Å²	29.5	57%	0.57	16%	0.161	S	C	*	.			trans	-129.3	92.5	-174.7	-66.1	-176	4.2	0	0	111.1	F251 G252	F251-Q254 PolarHBondContact O-N 3.22Å; G252-Q254 VanDerWaalsContact C-N 3.31Å
255	L	97.5	Very high	95.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.8	173.7	178.7	61.2	0	0	0	110.5	F251 I257 H258 W285 A286 N287	F251-L255 HydrophobicContact CB-CD1 4.41Å; F251-L255 HydrophobicContact CD2-CD1 3.72Å; F251-L255 HydrophobicContact CE2-CD1 4.22Å; F251-L255 HydrophobicContact CG-CD1 4.18Å; L255-I257 WeakPolarHBondContact CD1-O 3.37Å; L255-H258 HydrophobicContact CD2-CB 3.95Å; L255-W285 HydrophobicContact CD2-CH2 4.14Å; L255-W285 HydrophobicContact CD2-CZ2 4.02Å; L255-W285 PolarHBondContact N-O 3.2Å; L255-A286 HydrophobicContact CB-CB 3.9Å; L255-A286 HydrophobicContact CD2-CB 3.88Å; L255-A286 HydrophobicContact CG-CB 4.04Å; L255-A286 CarbonylContact O-C 3.38Å; L255-A286 VanDerWaalsContact O-CA 3.28Å; L255-A286 WeakPolarHBondContact O-CA 3.2Å; L255-N287 PolarHBondContact O-N 2.99Å
256	D	98.5	Very high	95.1	Very high	3 Å²	3	33 Å²	33	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	-60.6	175.7	-63.5	-53.6	0	0	0	110	L54 A55 T61 N287 Y288	L54-D256 HydrophobicContact CD2-CB 4.16Å; A55-D256 PolarHBondContact N-OD1 3.42Å; T61-D256 PolarHBondContact N-OD2 3.38Å; T61-D256 WeakPolarHBondContact O-CB 3.15Å; T61-D256 PolarHBondContact O-N 3.43Å; T61-D256 PolarHBondContact OG1-N 3.1Å; T61-D256 PolarHBondContact OG1-OD2 2.77Å; D256-N287 WeakPolarHBondContact O-CB 3.36Å; D256-Y288 VanDerWaalsContact O-CD2 3.29Å; D256-Y288 WeakPolarHBondContact O-CD2 3.38Å; D256-Y288 PolarHBondContact O-N 2.83Å
257	I	98.7	Very high	95	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.9	-171.5	-56.3	172.9	0	0	0	110.8	L52 A60 T61 W62 Y63 L91 L255 L290	L52-I257 HydrophobicContact CD1-CD1 4.22Å; L52-I257 HydrophobicContact CD1-CG1 4.29Å; A60-I257 HydrophobicContact CB-CD1 4.44Å; T61-I257 PolarHBondContact O-N 2.97Å; W62-I257 CarbonylContact C-O 3.56Å; W62-I257 WeakPolarHBondContact CA-O 2.98Å; W62-I257 HydrophobicContact CB-CB 4.37Å; W62-I257 HydrophobicContact CD2-CB 4.02Å; W62-I257 HydrophobicContact CD2-CD1 4.27Å; W62-I257 HydrophobicContact CD2-CG2 3.68Å; W62-I257 HydrophobicContact CE3-CB 4.43Å; W62-I257 HydrophobicContact CE3-CD1 3.8Å; W62-I257 HydrophobicContact CE3-CG2 4.21Å; W62-I257 HydrophobicContact CG-CB 3.99Å; W62-I257 HydrophobicContact CG-CG2 3.98Å; W62-I257 HydrophobicContact CZ2-CG2 4.03Å; W62-I257 HydrophobicContact CZ3-CD1 4.15Å; Y63-I257 PolarHBondContact N-O 3.5Å; L91-I257 HydrophobicContact CD1-CD1 4.1Å; L255-I257 WeakPolarHBondContact CD1-O 3.37Å; I257-L290 HydrophobicContact CG2-CD1 3.73Å; I257-L290 HydrophobicContact CG2-CG 4.02Å
258	H	98.6	Very high	94.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.1	168.3	-163.7	-65.5	0	0	0	109.8	Y63 C65 L255 H269 E272 W285 A286 Y288 F289 L290	Y63-H258 AromaticContact CD1-CD2 3.67Å; Y63-H258 AromaticContact CD1-CE1 3.88Å; Y63-H258 AromaticContact CD1-NE2 3.27Å; Y63-H258 VanDerWaalsContact CD1-NE2 3.27Å; Y63-H258 WeakPolarHBondContact CD1-NE2 3.25Å; Y63-H258 AromaticContact CE1-NE2 3.59Å; Y63-H258 CarbonylContact O-C 3.36Å; Y63-H258 WeakPolarHBondContact O-CA 3.28Å; C65-H258 VanDerWaalsContact SG-CE1 3.57Å; L255-H258 HydrophobicContact CD2-CB 3.95Å; H258-H269 AromaticContact CE1-CD2 3.24Å; H258-H269 PolarHBondContact CE1-CD2 3.46Å; H258-H269 AromaticContact CE1-NE2 3.26Å; H258-H269 PolarHBondContact CE1-NE2 3.37Å; H258-H269 VanDerWaalsContact CE1-NE2 3.26Å; H258-H269 AromaticContact ND1-CD2 3.7Å; H258-H269 AromaticContact ND1-CE1 3.86Å; H258-H269 AromaticContact ND1-NE2 3.52Å; H258-E272 IonicContact CE1-OE2 3.63Å; H258-E272 IonicContact NE2-OE2 2.98Å; H258-E272 PolarHBondContact NE2-OE2 2.94Å; H258-W285 AromaticContact CD2-CH2 3.62Å; H258-W285 AromaticContact CD2-CZ3 3.8Å; H258-W285 AromaticContact NE2-CH2 3.89Å; H258-A286 HydrophobicContact CB-CB 4.4Å; H258-Y288 PolarHBondContact N-O 3.47Å; H258-F289 HydrophobicContact CB-CD1 3.72Å; H258-F289 HydrophobicContact CB-CE1 3.6Å; H258-F289 HydrophobicContact CB-CG 4.24Å; H258-F289 HydrophobicContact CB-CZ 4.04Å; H258-F289 AromaticContact CG-CD1 3.92Å; H258-F289 AromaticContact CG-CE1 3.53Å; H258-F289 AromaticContact ND1-CD1 3.98Å; H258-F289 AromaticContact ND1-CE1 3.79Å; H258-F289 CarbonylContact O-C 3.35Å; H258-F289 WeakPolarHBondContact O-CA 3.25Å; H258-L290 PolarHBondContact O-N 3.22Å
259	S	98.1	Very high	95	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.9	-175.6	68.4	0	0	0	0	114.9	W62 Y63 S64 C65 L290	W62-S259 PolarHBondContact NE1-OG 3.29Å; Y63-S259 PolarHBondContact O-N 3.07Å; S64-S259 WeakPolarHBondContact CA-O 3.45Å; S64-S259 VanDerWaalsContact CB-OG 3.3Å; S64-S259 WeakPolarHBondContact CB-OG 3.38Å; C65-S259 PolarHBondContact N-O 3.36Å; S259-L290 VanDerWaalsContact CA-O 3.25Å; S259-L290 WeakPolarHBondContact CA-O 3.49Å
260	G	96.4	Very high	95	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.031	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	-177.1	173.3	0	0	0	0	0	113	F84 L290 H291 S292	F84-G260 WeakPolarHBondContact CZ-O 3.39Å; G260-L290 PolarHBondContact N-O 3.34Å; G260-H291 VanDerWaalsContact O-CA 3.24Å; G260-H291 WeakPolarHBondContact O-CA 3.36Å; G260-S292 PolarHBondContact O-N 3.32Å
261	G	94.4	Very high	95.1	Very high	10 Å²	10	27.3 Å²	27.3	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	151.8	170	0	0	0	0	0	111.6	D263 L264 H291	G261-D263 PolarHBondContact O-N 3.39Å; G261-L264 WeakPolarHBondContact O-CA 3.45Å; G261-L264 WeakPolarHBondContact O-CB 3.26Å; G261-L264 PolarHBondContact O-N 2.93Å; G261-H291 PolarHBondContact O-CD2 3.39Å
262	I	92.9	Very high	95.2	Very high	71 Å²	71	26 Å²	26	36%	0.364	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-61.1	-23.1	178.2	-173.2	60.6	0	0	0	113.6	L264 A265 H291 S292 H294	I262-L264 PolarHBondContact O-N 2.96Å; I262-A265 HydrophobicContact CD1-CB 4.16Å; I262-A265 WeakPolarHBondContact O-CB 3.22Å; I262-A265 PolarHBondContact O-N 3.33Å; I262-H291 HydrophobicContact CB-CB 4.11Å; I262-H291 HydrophobicContact CD1-CB 3.71Å; I262-S292 WeakPolarHBondContact CB-O 3.43Å; I262-S292 WeakPolarHBondContact CG2-O 3.26Å; I262-S292 PolarHBondContact N-O 3.25Å; I262-H294 WeakPolarHBondContact CG2-CE1 3.37Å; I262-H294 WeakPolarHBondContact CG2-NE2 3.17Å
263	D	90.1	Very high	95.2	Very high	73 Å²	73	24.8 Å²	24.8	39%	0.39	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-69.9	-16.6	170.1	47.5	-15.7	0	0	0	114	G261 F266 H294 K303	G261-D263 PolarHBondContact O-N 3.39Å; D263-F266 VanDerWaalsContact O-O 3.1Å; D263-H294 IonicContact OD1-CE1 3.23Å; D263-K303 IonicContact OD2-NZ 3.18Å; D263-K303 PolarHBondContact OD2-NZ 3.39Å
264	L	94	Very high	95.3	Very high	37 Å²	37	22.3 Å²	22.3	19%	0.194	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-83.1	-15.6	172.4	-59.1	-178	0	0	0	112.4	C65 G261 I262 F266 H268 H269	C65-L264 HydrophobicContact CB-CD1 3.65Å; G261-L264 WeakPolarHBondContact O-CA 3.45Å; G261-L264 WeakPolarHBondContact O-CB 3.26Å; G261-L264 PolarHBondContact O-N 2.93Å; I262-L264 PolarHBondContact O-N 2.96Å; L264-F266 PolarHBondContact O-N 3.43Å; L264-H268 HydrophobicContact CB-CB 4.21Å; L264-H268 HydrophobicContact CD2-CB 4.08Å; L264-H268 CarbonylContact O-C 3.47Å; L264-H268 WeakPolarHBondContact O-CB 3.27Å; L264-H268 PolarHBondContact O-N 2.93Å; L264-H269 PolarHBondContact O-N 3.29Å
265	A	94.2	Very high	95.8	Very high	11 Å²	11	16.5 Å²	16.5	9%	0.091	9%	0.092	C	C	.	.	I	π-helix	trans	-55.1	-39.3	177.3	0	0	0	0	0	111.7	F194 I262 E270 H291	F194-A265 VanDerWaalsContact CD2-O 3.23Å; F194-A265 WeakPolarHBondContact CD2-O 3.35Å; F194-A265 HydrophobicContact CG-CB 4.44Å; I262-A265 HydrophobicContact CD1-CB 4.16Å; I262-A265 WeakPolarHBondContact O-CB 3.22Å; I262-A265 PolarHBondContact O-N 3.33Å; A265-E270 PolarHBondContact O-N 2.88Å; A265-H291 WeakPolarHBondContact CA-NE2 3.49Å
266	F	92.4	Very high	95.8	Very high	65 Å²	65	16.5 Å²	16.5	29%	0.285	9%	0.092	S	C	.	.	I	π-helix	trans	-143.1	135	172.9	-176.4	-90	0	0	0	111.8	V195 P200 D263 L264 E270	V195-F266 HydrophobicContact CG2-CB 3.59Å; V195-F266 HydrophobicContact CG2-CD1 4.34Å; V195-F266 HydrophobicContact CG2-CD2 3.44Å; V195-F266 VanDerWaalsContact CG2-CD2 3.44Å; V195-F266 HydrophobicContact CG2-CE2 4.23Å; V195-F266 HydrophobicContact CG2-CG 3.51Å; P200-F266 HydrophobicContact CB-CE1 3.97Å; P200-F266 HydrophobicContact CB-CZ 3.77Å; P200-F266 HydrophobicContact CG-CZ 3.93Å; D263-F266 VanDerWaalsContact O-O 3.1Å; L264-F266 PolarHBondContact O-N 3.43Å; F266-E270 HydrophobicContact CD2-CB 3.87Å; F266-E270 HydrophobicContact CD2-CG 3.99Å; F266-E270 HydrophobicContact CE2-CB 4.47Å; F266-E270 HydrophobicContact CE2-CG 4.24Å
267	P	92.9	Very high	95.7	Very high	55 Å²	55	16.5 Å²	16.5	36%	0.357	9%	0.092	S	C	.	.	I	π-helix	cis	-85.5	-6.3	1.1	34.5	-36.3	0	0	0	114.3	N271	P267-N271 WeakPolarHBondContact O-CB 3.36Å; P267-N271 PolarHBondContact O-N 2.77Å; P267-N271 PolarHBondContact O-ND2 2.96Å
268	H	95.3	Very high	95.7	Very high	7 Å²	7	16.5 Å²	16.5	3%	0.032	9%	0.092	C	C	.	.	I	π-helix	trans	-62.7	-65.4	-163.8	-172.5	94.7	0	0	0	113.7	C65 W239 H240 C243 L264 E270 N271 E272	C65-H268 PolarHBondContact SG-NE2 2.91Å; W239-H268 AromaticContact CD1-CE1 3.88Å; W239-H268 AromaticContact CD1-ND1 3.69Å; W239-H268 AromaticContact CE2-ND1 3.55Å; W239-H268 AromaticContact CZ2-ND1 3.95Å; W239-H268 AromaticContact NE1-CE1 3.22Å; W239-H268 PolarHBondContact NE1-CE1 3.24Å; W239-H268 AromaticContact NE1-ND1 2.98Å; W239-H268 PolarHBondContact NE1-ND1 2.91Å; H240-H268 AromaticContact CE1-CG 3.92Å; H240-H268 AromaticContact CE1-ND1 3.5Å; H240-H268 WeakPolarHBondContact ND1-CA 3.37Å; H240-H268 AromaticContact ND1-CE1 3.78Å; H240-H268 AromaticContact ND1-CG 3.4Å; H240-H268 AromaticContact ND1-ND1 2.85Å; H240-H268 PolarHBondContact ND1-ND1 2.89Å; C243-H268 VanDerWaalsContact SG-CE1 3.59Å; C243-H268 PolarHBondContact SG-NE2 3.21Å; L264-H268 HydrophobicContact CB-CB 4.21Å; L264-H268 HydrophobicContact CD2-CB 4.08Å; L264-H268 CarbonylContact O-C 3.47Å; L264-H268 WeakPolarHBondContact O-CB 3.27Å; L264-H268 PolarHBondContact O-N 2.93Å; H268-E270 VanDerWaalsContact C-N 3.31Å; H268-E270 PolarHBondContact O-N 2.86Å; H268-N271 PolarHBondContact O-N 3.42Å; H268-N271 VanDerWaalsContact O-N 3.16Å; H268-E272 IonicContact CD2-OE1 3.88Å; H268-E272 PolarHBondContact CD2-OE1 2.96Å; H268-E272 IonicContact CE1-OE1 2.75Å; H268-E272 IonicContact CG-OE1 3.31Å; H268-E272 IonicContact NE2-OE1 3.67Å; H268-E272 PolarHBondContact NE2-OE1 2.67Å; H268-E272 WeakPolarHBondContact O-CG 3.48Å; H268-E272 PolarHBondContact O-N 2.86Å
269	H	96.9	Very high	95.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.104	C	C	.	.	I	π-helix	trans	-66.8	-30.3	179.3	-61.8	158.3	0	0	0	113.2	C65 F194 H258 L264 N271 E272 I273 F289 H291	C65-H269 PolarHBondContact SG-NE2 3.46Å; F194-H269 HydrophobicContact CE2-CB 3.8Å; F194-H269 HydrophobicContact CZ-CB 4.3Å; H258-H269 AromaticContact CE1-CD2 3.24Å; H258-H269 PolarHBondContact CE1-CD2 3.46Å; H258-H269 AromaticContact CE1-NE2 3.26Å; H258-H269 PolarHBondContact CE1-NE2 3.37Å; H258-H269 VanDerWaalsContact CE1-NE2 3.26Å; H258-H269 AromaticContact ND1-CD2 3.7Å; H258-H269 AromaticContact ND1-CE1 3.86Å; H258-H269 AromaticContact ND1-NE2 3.52Å; L264-H269 PolarHBondContact O-N 3.29Å; H269-N271 VanDerWaalsContact C-N 3.32Å; H269-E272 IonicContact CD2-OE1 3.51Å; H269-E272 PolarHBondContact CD2-OE1 2.83Å; H269-E272 PolarHBondContact O-N 2.95Å; H269-I273 VanDerWaalsContact O-CG1 3.28Å; H269-I273 WeakPolarHBondContact O-CG1 3.47Å; H269-I273 PolarHBondContact O-N 3.2Å; H269-F289 HydrophobicContact CB-CD1 4.22Å; H269-F289 HydrophobicContact CB-CE1 4Å; H269-H291 AromaticContact CE1-CD2 3.71Å; H269-H291 AromaticContact CE1-NE2 3.34Å; H269-H291 PolarHBondContact CE1-NE2 2.93Å; H269-H291 VanDerWaalsContact CE1-NE2 3.34Å; H269-H291 AromaticContact CG-NE2 3.93Å; H269-H291 AromaticContact ND1-CD2 3.56Å; H269-H291 AromaticContact ND1-CE1 3.77Å; H269-H291 AromaticContact ND1-NE2 2.73Å; H269-H291 PolarHBondContact ND1-NE2 2.92Å
270	E	95.4	Very high	95.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.7	-45.9	172.3	-173	70.9	-117.4	0	0	111.1	Y191 G192 K193 F194 A265 F266 H268 A274	Y191-E270 HydrophobicContact CE1-CG 4.46Å; Y191-E270 HydrophobicContact CE2-CG 4.03Å; G192-E270 WeakPolarHBondContact CA-OE1 3.39Å; G192-E270 WeakPolarHBondContact CA-OE2 3.35Å; G192-E270 PolarHBondContact N-OE1 2.89Å; K193-E270 VanDerWaalsContact N-CD 3.27Å; K193-E270 PolarHBondContact N-OE1 3.01Å; K193-E270 PolarHBondContact N-OE2 2.97Å; F194-E270 HydrophobicContact CD2-CB 4.19Å; F194-E270 PolarHBondContact N-OE2 2.93Å; A265-E270 PolarHBondContact O-N 2.88Å; F266-E270 HydrophobicContact CD2-CB 3.87Å; F266-E270 HydrophobicContact CD2-CG 3.99Å; F266-E270 HydrophobicContact CE2-CB 4.47Å; F266-E270 HydrophobicContact CE2-CG 4.24Å; H268-E270 VanDerWaalsContact C-N 3.31Å; H268-E270 PolarHBondContact O-N 2.86Å; E270-A274 PolarHBondContact O-N 2.89Å; E270-A274 VanDerWaalsContact O-N 3.16Å
271	N	96.4	Very high	95.6	Very high	5 Å²	5	28 Å²	28	3%	0.027	14%	0.144	C	C	.	.	H	α-helix	trans	-68.9	-36.2	176.8	-71.2	-15.8	0	0	0	111.7	Y191 F215 H240 P267 H268 H269 A274 Q275	Y191-N271 WeakPolarHBondContact CE2-OD1 3.41Å; Y191-N271 PolarHBondContact OH-OD1 2.86Å; F215-N271 WeakPolarHBondContact CD1-OD1 3.17Å; F215-N271 HydrophobicContact CD2-CB 4.27Å; F215-N271 HydrophobicContact CE1-CB 4.18Å; F215-N271 WeakPolarHBondContact CE1-OD1 3.39Å; F215-N271 HydrophobicContact CE2-CB 3.84Å; F215-N271 HydrophobicContact CZ-CB 3.78Å; H240-N271 HydrophobicContact CB-CB 3.99Å; H240-N271 PolarHBondContact CD2-ND2 2.62Å; H240-N271 PolarHBondContact NE2-ND2 2.89Å; P267-N271 WeakPolarHBondContact O-CB 3.36Å; P267-N271 PolarHBondContact O-N 2.77Å; P267-N271 PolarHBondContact O-ND2 2.96Å; H268-N271 PolarHBondContact O-N 3.42Å; H268-N271 VanDerWaalsContact O-N 3.16Å; H269-N271 VanDerWaalsContact C-N 3.32Å; N271-A274 PolarHBondContact O-N 3.44Å; N271-Q275 WeakPolarHBondContact O-CB 3.24Å; N271-Q275 WeakPolarHBondContact O-CG 3.36Å; N271-Q275 PolarHBondContact O-N 2.76Å
272	E	97.6	Very high	95.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-42.1	176.7	-71.6	179.4	-122.8	0	0	113.4	C243 S244 H258 H268 H269 A274 Q275 S276 W285	C243-E272 HydrophobicContact CB-CG 3.94Å; C243-E272 WeakPolarHBondContact CB-OE1 3.32Å; C243-E272 WeakPolarHBondContact CB-OE2 3.23Å; S244-E272 WeakPolarHBondContact OG-CA 3.35Å; S244-E272 WeakPolarHBondContact OG-CB 3.3Å; S244-E272 PolarHBondContact OG-O 3.49Å; H258-E272 IonicContact CE1-OE2 3.63Å; H258-E272 IonicContact NE2-OE2 2.98Å; H258-E272 PolarHBondContact NE2-OE2 2.94Å; H268-E272 IonicContact CD2-OE1 3.88Å; H268-E272 PolarHBondContact CD2-OE1 2.96Å; H268-E272 IonicContact CE1-OE1 2.75Å; H268-E272 IonicContact CG-OE1 3.31Å; H268-E272 IonicContact NE2-OE1 3.67Å; H268-E272 PolarHBondContact NE2-OE1 2.67Å; H268-E272 WeakPolarHBondContact O-CG 3.48Å; H268-E272 PolarHBondContact O-N 2.86Å; H269-E272 IonicContact CD2-OE1 3.51Å; H269-E272 PolarHBondContact CD2-OE1 2.83Å; H269-E272 PolarHBondContact O-N 2.95Å; E272-A274 VanDerWaalsContact C-N 3.33Å; E272-A274 PolarHBondContact O-N 3.29Å; E272-Q275 PolarHBondContact O-N 2.78Å; E272-S276 VanDerWaalsContact O-CB 3.22Å; E272-S276 WeakPolarHBondContact O-CB 3.44Å; E272-S276 PolarHBondContact O-N 3.14Å; E272-S276 PolarHBondContact O-OG 3.13Å; E272-W285 HydrophobicContact CB-CZ3 4.16Å
273	I	96.3	Very high	95.4	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-49.2	173.2	-69.9	168.3	0	0	0	109.6	L45 K193 F194 H269 Q275 S276 E277 W285 F289	L45-I273 HydrophobicContact CD2-CD1 3.72Å; K193-I273 HydrophobicContact CD-CG2 4.02Å; F194-I273 HydrophobicContact CD2-CD1 4.38Å; F194-I273 HydrophobicContact CE2-CD1 3.46Å; F194-I273 VanDerWaalsContact CE2-CD1 3.46Å; F194-I273 HydrophobicContact CZ-CD1 3.85Å; H269-I273 VanDerWaalsContact O-CG1 3.28Å; H269-I273 WeakPolarHBondContact O-CG1 3.47Å; H269-I273 PolarHBondContact O-N 3.2Å; I273-Q275 PolarHBondContact O-N 3.33Å; I273-S276 PolarHBondContact O-N 2.76Å; I273-E277 HydrophobicContact CG2-CG 4.23Å; I273-E277 WeakPolarHBondContact CG2-OE1 3.38Å; I273-E277 VanDerWaalsContact O-CB 3.24Å; I273-E277 WeakPolarHBondContact O-CB 3.17Å; I273-E277 VanDerWaalsContact O-CG 3.32Å; I273-E277 WeakPolarHBondContact O-CG 3.39Å; I273-E277 PolarHBondContact O-N 3.24Å; I273-W285 HydrophobicContact CG1-CE3 4.46Å; I273-F289 HydrophobicContact CD1-CE1 4.12Å; I273-F289 HydrophobicContact CD1-CE2 3.79Å; I273-F289 HydrophobicContact CD1-CZ 3.55Å; I273-F289 HydrophobicContact CG1-CE1 4.18Å; I273-F289 HydrophobicContact CG1-CE2 4.05Å; I273-F289 HydrophobicContact CG1-CZ 3.46Å; I273-F289 VanDerWaalsContact CG1-CZ 3.46Å
274	A	96.5	Very high	95.6	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-46.1	-178.4	0	0	0	0	0	112.2	F182 I187 Y191 E270 N271 E272 A278	F182-A274 HydrophobicContact CE1-CB 4.01Å; F182-A274 HydrophobicContact CZ-CB 3.89Å; F182-A274 WeakPolarHBondContact CZ-O 3.32Å; I187-A274 HydrophobicContact CD1-CB 4.42Å; I187-A274 WeakPolarHBondContact CD1-O 3.48Å; Y191-A274 HydrophobicContact CD2-CB 3.74Å; Y191-A274 HydrophobicContact CE2-CB 4.08Å; E270-A274 PolarHBondContact O-N 2.89Å; E270-A274 VanDerWaalsContact O-N 3.16Å; N271-A274 PolarHBondContact O-N 3.44Å; E272-A274 VanDerWaalsContact C-N 3.33Å; E272-A274 PolarHBondContact O-N 3.29Å; A274-A278 WeakPolarHBondContact O-CB 3.49Å; A274-A278 PolarHBondContact O-N 3.46Å
275	Q	98.2	Very high	95.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-48.4	176.7	-73.3	166.6	-10.7	0	0	111.6	F162 I166 F182 F215 L217 H240 I241 S244 N271 E272 I273 A278 F279	F162-Q275 HydrophobicContact CE1-CB 4.32Å; I166-Q275 HydrophobicContact CD1-CB 4.13Å; I166-Q275 HydrophobicContact CD1-CG 4.38Å; F182-Q275 HydrophobicContact CD2-CG 4.23Å; F215-Q275 HydrophobicContact CE2-CG 3.87Å; F215-Q275 HydrophobicContact CZ-CG 4.22Å; L217-Q275 HydrophobicContact CD2-CG 3.88Å; H240-Q275 PolarHBondContact O-OE1 3.44Å; I241-Q275 HydrophobicContact CD1-CB 4.38Å; I241-Q275 HydrophobicContact CD1-CG 4.09Å; S244-Q275 WeakPolarHBondContact OG-CB 3.43Å; S244-Q275 PolarHBondContact OG-OE1 3.08Å; N271-Q275 WeakPolarHBondContact O-CB 3.24Å; N271-Q275 WeakPolarHBondContact O-CG 3.36Å; N271-Q275 PolarHBondContact O-N 2.76Å; E272-Q275 PolarHBondContact O-N 2.78Å; I273-Q275 PolarHBondContact O-N 3.33Å; Q275-A278 PolarHBondContact O-N 2.84Å; Q275-F279 WeakPolarHBondContact O-CB 3.44Å; Q275-F279 PolarHBondContact O-N 3.48Å
276	S	98.1	Very high	95.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-71.9	-40.9	-175.7	-58.7	0	0	0	0	112.4	S244 E272 I273 A278 F279 H280	S244-S276 WeakPolarHBondContact CB-OG 3.33Å; S244-S276 PolarHBondContact OG-OG 2.81Å; E272-S276 VanDerWaalsContact O-CB 3.22Å; E272-S276 WeakPolarHBondContact O-CB 3.44Å; E272-S276 PolarHBondContact O-N 3.14Å; E272-S276 PolarHBondContact O-OG 3.13Å; I273-S276 PolarHBondContact O-N 2.76Å; S276-A278 VanDerWaalsContact C-N 3.35Å; S276-F279 PolarHBondContact O-N 3.35Å; S276-H280 WeakPolarHBondContact O-CB 3.49Å; S276-H280 PolarHBondContact O-CD2 3.4Å; S276-H280 PolarHBondContact O-N 3.01Å
277	E	96.9	Very high	96	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.019	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-33.7	174.9	-73.2	-177.5	-173.6	0	0	112.7	I187 K193 I273 Q281 C282 Q284 W285	I187-E277 HydrophobicContact CD1-CB 4.4Å; K193-E277 IonicContact NZ-OE1 2.93Å; K193-E277 PolarHBondContact NZ-OE1 3.47Å; K193-E277 IonicContact NZ-OE2 3.48Å; K193-E277 PolarHBondContact NZ-OE2 2.86Å; I273-E277 HydrophobicContact CG2-CG 4.23Å; I273-E277 WeakPolarHBondContact CG2-OE1 3.38Å; I273-E277 VanDerWaalsContact O-CB 3.24Å; I273-E277 WeakPolarHBondContact O-CB 3.17Å; I273-E277 VanDerWaalsContact O-CG 3.32Å; I273-E277 WeakPolarHBondContact O-CG 3.39Å; I273-E277 PolarHBondContact O-N 3.24Å; E277-Q281 VanDerWaalsContact O-CA 3.26Å; E277-Q281 WeakPolarHBondContact O-CA 3.28Å; E277-Q281 PolarHBondContact O-N 2.83Å; E277-C282 WeakPolarHBondContact CB-O 3.41Å; E277-C282 PolarHBondContact O-N 3.25Å; E277-Q284 WeakPolarHBondContact OE1-CA 3.39Å; E277-W285 HydrophobicContact CG-CB 3.89Å; E277-W285 PolarHBondContact OE1-N 3.27Å
278	A	97.6	Very high	96.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.7	-42.9	171.7	0	0	0	0	0	112.1	I166 N169 H171 F182 I187 A274 Q275 S276	I166-A278 HydrophobicContact CG2-CB 4.26Å; N169-A278 PolarHBondContact ND2-O 2.74Å; H171-A278 HydrophobicContact CB-CB 3.66Å; F182-A278 HydrophobicContact CE2-CB 3.69Å; F182-A278 HydrophobicContact CZ-CB 3.96Å; I187-A278 HydrophobicContact CD1-CB 4.14Å; A274-A278 WeakPolarHBondContact O-CB 3.49Å; A274-A278 PolarHBondContact O-N 3.46Å; Q275-A278 PolarHBondContact O-N 2.84Å; S276-A278 VanDerWaalsContact C-N 3.35Å
279	F	98.5	Very high	96.4	Very high	60 Å²	60	18.5 Å²	18.5	26%	0.263	10%	0.101	S	C	.	.	H	α-helix	trans	-69.3	-50.2	179.5	179.5	-95.3	0	0	0	112.2	F162 I166 N169 Q275 S276 Q281	F162-F279 HydrophobicContact CB-CE2 4.41Å; F162-F279 HydrophobicContact CD1-CD2 4.33Å; F162-F279 HydrophobicContact CD1-CG 4.47Å; F162-F279 HydrophobicContact CD2-CB 4.34Å; F162-F279 AromaticContact CD2-CD1 3.7Å; F162-F279 HydrophobicContact CD2-CD1 3.7Å; F162-F279 AromaticContact CD2-CD2 3.6Å; F162-F279 HydrophobicContact CD2-CD2 3.6Å; F162-F279 AromaticContact CD2-CE1 3.8Å; F162-F279 HydrophobicContact CD2-CE1 3.8Å; F162-F279 AromaticContact CD2-CE2 3.7Å; F162-F279 HydrophobicContact CD2-CE2 3.7Å; F162-F279 AromaticContact CD2-CG 3.59Å; F162-F279 HydrophobicContact CD2-CG 3.59Å; F162-F279 AromaticContact CD2-CZ 3.8Å; F162-F279 HydrophobicContact CD2-CZ 3.8Å; F162-F279 HydrophobicContact CE1-CB 3.96Å; F162-F279 HydrophobicContact CE1-CG 4.24Å; F162-F279 HydrophobicContact CE2-CB 3.7Å; F162-F279 AromaticContact CE2-CD1 3.24Å; F162-F279 HydrophobicContact CE2-CD1 3.24Å; F162-F279 AromaticContact CE2-CD2 3.81Å; F162-F279 HydrophobicContact CE2-CD2 3.81Å; F162-F279 AromaticContact CE2-CE1 3.73Å; F162-F279 HydrophobicContact CE2-CE1 3.73Å; F162-F279 HydrophobicContact CE2-CE2 4.24Å; F162-F279 AromaticContact CE2-CG 3.28Å; F162-F279 HydrophobicContact CE2-CG 3.28Å; F162-F279 HydrophobicContact CE2-CZ 4.2Å; F162-F279 AromaticContact CG-CD2 3.89Å; F162-F279 HydrophobicContact CG-CD2 3.89Å; F162-F279 HydrophobicContact CG-CE2 4.13Å; F162-F279 HydrophobicContact CG-CG 4.2Å; F162-F279 HydrophobicContact CZ-CB 3.5Å; F162-F279 VanDerWaalsContact CZ-CB 3.5Å; F162-F279 AromaticContact CZ-CD1 3.96Å; F162-F279 HydrophobicContact CZ-CD1 3.96Å; F162-F279 HydrophobicContact CZ-CD2 4.29Å; F162-F279 AromaticContact CZ-CG 3.65Å; F162-F279 HydrophobicContact CZ-CG 3.65Å; F162-F279 WeakPolarHBondContact O-CD2 3.23Å; I166-F279 HydrophobicContact CG1-CB 3.97Å; I166-F279 HydrophobicContact CG1-CD2 4.41Å; N169-F279 PolarHBondContact ND2-O 2.78Å; Q275-F279 WeakPolarHBondContact O-CB 3.44Å; Q275-F279 PolarHBondContact O-N 3.48Å; S276-F279 PolarHBondContact O-N 3.35Å; F279-Q281 VanDerWaalsContact C-N 3.29Å; F279-Q281 PolarHBondContact O-N 3.3Å
280	H	97.8	Very high	96.5	Very high	47 Å²	47	18.7 Å²	18.7	22%	0.218	10%	0.102	C	C	.	.	H	α-helix	trans	-81	-6.8	-177.8	-66.8	-64.2	0	0	0	114	S248 G252 S276 C282 W285	S248-H280 VanDerWaalsContact CB-NE2 3.32Å; S248-H280 WeakPolarHBondContact CB-NE2 3.44Å; S248-H280 PolarHBondContact OG-NE2 3.48Å; G252-H280 PolarHBondContact O-NE2 2.8Å; S276-H280 WeakPolarHBondContact O-CB 3.49Å; S276-H280 PolarHBondContact O-CD2 3.4Å; S276-H280 PolarHBondContact O-N 3.01Å; H280-C282 VanDerWaalsContact C-N 3.27Å; H280-C282 PolarHBondContact O-N 3.5Å; H280-W285 AromaticContact CD2-CD1 3.84Å
281	Q	95.6	Very high	96.6	Very high	137 Å²	137	18.8 Å²	18.8	64%	0.64	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	43	-175.3	-55.6	-169.9	-55.9	0	0	112.8	N169 E277 F279	N169-Q281 WeakPolarHBondContact ND2-CG 3.24Å; E277-Q281 VanDerWaalsContact O-CA 3.26Å; E277-Q281 WeakPolarHBondContact O-CA 3.28Å; E277-Q281 PolarHBondContact O-N 2.83Å; F279-Q281 VanDerWaalsContact C-N 3.29Å; F279-Q281 PolarHBondContact O-N 3.3Å
282	C	93.6	Very high	96.6	Very high	30 Å²	30	18.8 Å²	18.8	20%	0.203	10%	0.103	C	C	.	.			trans	-117.9	166.3	179	71.1	0	0	0	0	112.2	R190 E277 H280	R190-C282 PolarHBondContact NH1-O 3.43Å; E277-C282 WeakPolarHBondContact CB-O 3.41Å; E277-C282 PolarHBondContact O-N 3.25Å; H280-C282 VanDerWaalsContact C-N 3.27Å; H280-C282 PolarHBondContact O-N 3.5Å
283	G	90.2	Very high	96.4	Very high	41 Å²	41	19.2 Å²	19.2	42%	0.423	11%	0.107	S	C	.	.	S	Bend	trans	-97	-9.9	177.7	0	0	0	0	0	115	K193	K193-G283 PolarHBondContact NZ-O 3.43Å
284	Q	93.2	Very high	95.9	Very high	34 Å²	34	21.6 Å²	21.6	16%	0.159	12%	0.118	C	C	.	.			trans	-152.1	107.1	178.5	178.9	167.8	-60.2	0	0	108.5	W29 I30 E277 N287	W29-Q284 VanDerWaalsContact CD1-OE1 3.3Å; I30-Q284 PolarHBondContact O-NE2 3.15Å; I30-Q284 PolarHBondContact O-OE1 3.03Å; E277-Q284 WeakPolarHBondContact OE1-CA 3.39Å; Q284-N287 PolarHBondContact NE2-OD1 3.36Å
285	W	95.3	Very high	95.4	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	12%	0.119	C	C	.	.	S	Bend	trans	-83.3	-44.8	178.5	165.8	58.2	0	0	0	113	A247 G252 L255 H258 E272 I273 E277 H280 F289	A247-W285 HydrophobicContact CB-CH2 3.97Å; A247-W285 HydrophobicContact CB-CZ2 3.57Å; G252-W285 PolarHBondContact O-NE1 3.27Å; L255-W285 HydrophobicContact CD2-CH2 4.14Å; L255-W285 HydrophobicContact CD2-CZ2 4.02Å; L255-W285 PolarHBondContact N-O 3.2Å; H258-W285 AromaticContact CD2-CH2 3.62Å; H258-W285 AromaticContact CD2-CZ3 3.8Å; H258-W285 AromaticContact NE2-CH2 3.89Å; E272-W285 HydrophobicContact CB-CZ3 4.16Å; I273-W285 HydrophobicContact CG1-CE3 4.46Å; E277-W285 HydrophobicContact CG-CB 3.89Å; E277-W285 PolarHBondContact OE1-N 3.27Å; H280-W285 AromaticContact CD2-CD1 3.84Å; W285-F289 HydrophobicContact CE3-CZ 4.46Å; W285-F289 HydrophobicContact CZ3-CZ 4.37Å
286	A	96.7	Very high	94.6	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.025	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.7	179.6	0	0	0	0	0	111.1	L255 H258 F289	L255-A286 HydrophobicContact CB-CB 3.9Å; L255-A286 HydrophobicContact CD2-CB 3.88Å; L255-A286 HydrophobicContact CG-CB 4.04Å; L255-A286 CarbonylContact O-C 3.38Å; L255-A286 VanDerWaalsContact O-CA 3.28Å; L255-A286 WeakPolarHBondContact O-CA 3.2Å; H258-A286 HydrophobicContact CB-CB 4.4Å; A286-F289 HydrophobicContact CB-CE2 3.61Å; A286-F289 HydrophobicContact CB-CZ 3.76Å
287	N	97.1	Very high	93.3	Very high	21 Å²	21	25.9 Å²	25.9	11%	0.112	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-44.6	-170.6	-66.2	-33.5	0	0	0	112.4	W29 P32 N43 L255 D256 Q284	W29-N287 PolarHBondContact NE1-O 2.9Å; P32-N287 HydrophobicContact CG-CB 3.62Å; N43-N287 PolarHBondContact ND2-O 3.04Å; L255-N287 PolarHBondContact O-N 2.99Å; D256-N287 WeakPolarHBondContact O-CB 3.36Å; Q284-N287 PolarHBondContact NE2-OD1 3.36Å
288	Y	98.3	Very high	91.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.4	-174.2	-55	-83.8	0	0	0	111.3	W29 P32 T41 N43 E50 A51 L52 I53 D256 H258	W29-Y288 HydrophobicContact CH2-CE1 4.38Å; W29-Y288 HydrophobicContact CZ2-CD1 4.48Å; W29-Y288 AromaticContact CZ2-CE1 3.79Å; W29-Y288 HydrophobicContact CZ2-CE1 3.79Å; P32-Y288 HydrophobicContact CG-CE2 4.04Å; T41-Y288 HydrophobicContact CG2-CD1 3.75Å; T41-Y288 HydrophobicContact CG2-CE1 4.27Å; T41-Y288 HydrophobicContact CG2-CG 4.31Å; N43-Y288 HydrophobicContact CB-CD1 4.36Å; E50-Y288 HydrophobicContact CB-CE1 3.97Å; A51-Y288 WeakPolarHBondContact O-CE1 3.22Å; A51-Y288 VanDerWaalsContact O-CZ 3.3Å; A51-Y288 PolarHBondContact O-OH 3.25Å; L52-Y288 HydrophobicContact CD1-CD1 4.42Å; L52-Y288 HydrophobicContact CD1-CD2 3.61Å; L52-Y288 HydrophobicContact CD1-CE1 4.47Å; L52-Y288 HydrophobicContact CD1-CE2 3.72Å; L52-Y288 HydrophobicContact CD1-CG 4.02Å; I53-Y288 PolarHBondContact N-OH 3.48Å; I53-Y288 WeakPolarHBondContact O-CE2 3.5Å; D256-Y288 VanDerWaalsContact O-CD2 3.29Å; D256-Y288 WeakPolarHBondContact O-CD2 3.38Å; D256-Y288 PolarHBondContact O-N 2.83Å; H258-Y288 PolarHBondContact N-O 3.47Å
289	F	98.1	Very high	89.3	Confident	1 Å²	1	37.2 Å²	37.2	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112.4	172.6	-76.4	-100.7	0	0	0	110.9	N43 S44 L45 F194 H258 H269 I273 W285 A286	N43-F289 PolarHBondContact OD1-N 3.05Å; S44-F289 VanDerWaalsContact CB-O 3.27Å; S44-F289 WeakPolarHBondContact CB-O 3.44Å; S44-F289 PolarHBondContact N-O 2.86Å; S44-F289 PolarHBondContact OG-O 3.49Å; L45-F289 HydrophobicContact CD1-CD2 3.36Å; L45-F289 HydrophobicContact CD1-CE2 3.64Å; L45-F289 HydrophobicContact CD1-CG 4.47Å; L45-F289 HydrophobicContact CD2-CD2 4.08Å; L45-F289 HydrophobicContact CD2-CE2 4.34Å; L45-F289 HydrophobicContact CG-CB 4.39Å; L45-F289 HydrophobicContact CG-CD2 3.52Å; L45-F289 HydrophobicContact CG-CE2 4.12Å; L45-F289 HydrophobicContact CG-CG 4.22Å; F194-F289 HydrophobicContact CE1-CB 4.04Å; F194-F289 HydrophobicContact CE1-CG 4.23Å; F194-F289 HydrophobicContact CE2-CD1 4.45Å; F194-F289 HydrophobicContact CZ-CB 3.95Å; F194-F289 AromaticContact CZ-CD1 3.65Å; F194-F289 HydrophobicContact CZ-CD1 3.65Å; F194-F289 HydrophobicContact CZ-CD2 4.16Å; F194-F289 HydrophobicContact CZ-CE1 4.16Å; F194-F289 AromaticContact CZ-CG 3.64Å; F194-F289 HydrophobicContact CZ-CG 3.64Å; H258-F289 HydrophobicContact CB-CD1 3.72Å; H258-F289 HydrophobicContact CB-CE1 3.6Å; H258-F289 HydrophobicContact CB-CG 4.24Å; H258-F289 HydrophobicContact CB-CZ 4.04Å; H258-F289 AromaticContact CG-CD1 3.92Å; H258-F289 AromaticContact CG-CE1 3.53Å; H258-F289 AromaticContact ND1-CD1 3.98Å; H258-F289 AromaticContact ND1-CE1 3.79Å; H258-F289 CarbonylContact O-C 3.35Å; H258-F289 WeakPolarHBondContact O-CA 3.25Å; H269-F289 HydrophobicContact CB-CD1 4.22Å; H269-F289 HydrophobicContact CB-CE1 4Å; I273-F289 HydrophobicContact CD1-CE1 4.12Å; I273-F289 HydrophobicContact CD1-CE2 3.79Å; I273-F289 HydrophobicContact CD1-CZ 3.55Å; I273-F289 HydrophobicContact CG1-CE1 4.18Å; I273-F289 HydrophobicContact CG1-CE2 4.05Å; I273-F289 HydrophobicContact CG1-CZ 3.46Å; I273-F289 VanDerWaalsContact CG1-CZ 3.46Å; W285-F289 HydrophobicContact CE3-CZ 4.46Å; W285-F289 HydrophobicContact CZ3-CZ 4.37Å; A286-F289 HydrophobicContact CB-CE2 3.61Å; A286-F289 HydrophobicContact CB-CZ 3.76Å
290	L	98.4	Very high	87.1	Confident	3 Å²	3	36.3 Å²	36.3	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.8	179.9	-53.3	-175.1	0	0	0	109.7	T41 F42 W62 F84 L87 I257 H258 S259 G260 Y335	T41-L290 HydrophobicContact CG2-CD2 4.25Å; T41-L290 WeakPolarHBondContact OG1-CD2 3.24Å; F42-L290 WeakPolarHBondContact O-CD2 3.47Å; W62-L290 HydrophobicContact CH2-CD1 4.39Å; W62-L290 HydrophobicContact CZ2-CD1 4.38Å; F84-L290 HydrophobicContact CE1-CB 3.92Å; F84-L290 VanDerWaalsContact CZ-O 3.25Å; F84-L290 WeakPolarHBondContact CZ-O 3.46Å; L87-L290 HydrophobicContact CD2-CD1 4.15Å; I257-L290 HydrophobicContact CG2-CD1 3.73Å; I257-L290 HydrophobicContact CG2-CG 4.02Å; H258-L290 PolarHBondContact O-N 3.22Å; S259-L290 VanDerWaalsContact CA-O 3.25Å; S259-L290 WeakPolarHBondContact CA-O 3.49Å; G260-L290 PolarHBondContact N-O 3.34Å; L290-Y335 HydrophobicContact CB-CE2 4.12Å
291	H	97.7	Very high	85.1	Confident	3 Å²	3	38.9 Å²	38.9	1%	0.014	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.3	178.1	-64.9	103.4	0	0	0	112	S44 F194 G260 G261 I262 A265 H269 R336	S44-H291 WeakPolarHBondContact CB-ND1 3.31Å; S44-H291 PolarHBondContact OG-ND1 2.77Å; F194-H291 AromaticContact CE1-CE1 3.7Å; F194-H291 AromaticContact CZ-CE1 3.94Å; G260-H291 VanDerWaalsContact O-CA 3.24Å; G260-H291 WeakPolarHBondContact O-CA 3.36Å; G261-H291 PolarHBondContact O-CD2 3.39Å; I262-H291 HydrophobicContact CB-CB 4.11Å; I262-H291 HydrophobicContact CD1-CB 3.71Å; A265-H291 WeakPolarHBondContact CA-NE2 3.49Å; H269-H291 AromaticContact CE1-CD2 3.71Å; H269-H291 AromaticContact CE1-NE2 3.34Å; H269-H291 PolarHBondContact CE1-NE2 2.93Å; H269-H291 VanDerWaalsContact CE1-NE2 3.34Å; H269-H291 AromaticContact CG-NE2 3.93Å; H269-H291 AromaticContact ND1-CD2 3.56Å; H269-H291 AromaticContact ND1-CE1 3.77Å; H269-H291 AromaticContact ND1-NE2 2.73Å; H269-H291 PolarHBondContact ND1-NE2 2.92Å; H291-R336 WeakPolarHBondContact O-CA 3.26Å; H291-R336 WeakPolarHBondContact O-CB 3.26Å
292	S	96.8	Very high	83.3	Confident	4 Å²	4	37.3 Å²	37.3	3%	0.028	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138.7	172.8	70.5	0	0	0	0	110.6	S80 G260 I262 Y335	S80-S292 WeakPolarHBondContact CB-OG 3.09Å; S80-S292 PolarHBondContact OG-OG 3.08Å; S80-S292 VanDerWaalsContact OG-OG 3.11Å; G260-S292 PolarHBondContact O-N 3.32Å; I262-S292 WeakPolarHBondContact CB-O 3.43Å; I262-S292 WeakPolarHBondContact CG2-O 3.26Å; I262-S292 PolarHBondContact N-O 3.25Å; S292-Y335 VanDerWaalsContact CA-O 3.3Å; S292-Y335 WeakPolarHBondContact CA-O 3.48Å
293	G	93	Very high	81.7	Confident	9 Å²	9	39.1 Å²	39.1	9%	0.093	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-67.7	159.4	174	0	0	0	0	0	112.4	R83 Y335 R336	R83-G293 PolarHBondContact NH1-O 2.91Å; G293-Y335 PolarHBondContact N-O 2.88Å; G293-R336 WeakPolarHBondContact CA-O 3.31Å; G293-R336 PolarHBondContact N-O 3.46Å
294	H	87.3	Confident	80.7	Confident	54 Å²	54	37.6 Å²	37.6	25%	0.25	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-67.5	154.2	-179.2	-69.8	-45.3	0	0	0	113.9	I262 D263 H296 A338 I339	I262-H294 WeakPolarHBondContact CG2-CE1 3.37Å; I262-H294 WeakPolarHBondContact CG2-NE2 3.17Å; D263-H294 IonicContact OD1-CE1 3.23Å; H294-H296 VanDerWaalsContact CB-NE2 3.33Å; H294-H296 WeakPolarHBondContact CB-NE2 3.49Å; H294-A338 CarbonylContact O-C 3.59Å; H294-A338 WeakPolarHBondContact O-CA 3.24Å; H294-I339 PolarHBondContact O-N 3.37Å
295	L	85.6	Confident	79.3	Confident	6 Å²	6	36.5 Å²	36.5	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.1	163.3	-172.4	70.4	0	0	0	109.1	L75 M304 F329 I339	L75-L295 VanDerWaalsContact C-CD2 3.41Å; L75-L295 HydrophobicContact CB-CD2 3.5Å; L295-M304 HydrophobicContact CD2-CE 4.29Å; L295-M304 HydrophobicContact CD2-SD 4.14Å; L295-M304 PolarHBondContact O-N 2.88Å; L295-F329 HydrophobicContact CD1-CE1 3.92Å; L295-F329 HydrophobicContact CD1-CZ 3.94Å; L295-I339 WeakPolarHBondContact CA-O 3.4Å; L295-I339 HydrophobicContact CD1-CG2 3.46Å; L295-I339 VanDerWaalsContact CD1-CG2 3.46Å
296	H	81.4	Confident	77.8	Confident	39 Å²	39	37.6 Å²	37.6	18%	0.181	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	156.3	175.7	-59.4	170.7	0	0	0	110.4	H294 I339 N340 Y341	H294-H296 VanDerWaalsContact CB-NE2 3.33Å; H294-H296 WeakPolarHBondContact CB-NE2 3.49Å; H296-I339 PolarHBondContact N-O 2.95Å; H296-N340 WeakPolarHBondContact CB-OD1 3.48Å; H296-Y341 PolarHBondContact O-N 3.03Å
297	H	71.4	Confident	76.1	Confident	47 Å²	47	42.4 Å²	42.4	22%	0.218	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.4	164.7	-88	-5.9	0	0	0	110.3	G299 S300 M304 Y341	H297-G299 PolarHBondContact O-N 2.76Å; H297-S300 PolarHBondContact O-N 2.85Å; H297-S300 VanDerWaalsContact O-O 3.11Å; H297-M304 WeakPolarHBondContact CE1-CE 3.26Å; H297-Y341 AromaticContact CE1-CD1 3.56Å; H297-Y341 AromaticContact ND1-CD1 3.68Å
298	K	58.5	Low	74.3	Confident	152 Å²	152	45 Å²	45	66%	0.661	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	127.4	177.9	-176	176.9	-178.2	177.2	0	110.7	Y341	K298-Y341 WeakPolarHBondContact CB-O 3.46Å; K298-Y341 PolarHBondContact N-O 2.92Å
299	G	51.3	Low	73	Confident	90 Å²	90	54 Å²	54	93%	0.928	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-5	-178	0	0	0	0	0	114.6	H297	H297-G299 PolarHBondContact O-N 2.76Å
300	S	52.7	Low	71.7	Confident	41 Å²	41	55.5 Å²	55.5	29%	0.287	32%	0.317	S	S	.	.			trans	-113.1	134.5	167.1	-175.2	0	0	0	0	109.9	H297 E302	H297-S300 PolarHBondContact O-N 2.85Å; H297-S300 VanDerWaalsContact O-O 3.11Å; S300-E302 PolarHBondContact O-N 2.99Å; S300-E302 VanDerWaalsContact OG-CB 3.29Å; S300-E302 WeakPolarHBondContact OG-CB 3.44Å; S300-E302 PolarHBondContact OG-N 2.79Å
301	A	54.9	Low	70.7	Confident	100 Å²	100	58.9 Å²	58.9	83%	0.826	33%	0.33	S	S	*	.	S	Bend	trans	-73.9	-8.2	166.9	0	0	0	0	0	111.7
302	E	58	Low	70.2	Confident	105 Å²	105	60.8 Å²	60.8	49%	0.491	34%	0.34	S	S	.	.	S	Bend	trans	-86.6	139.3	-177	-54.1	-175.6	151.5	0	0	111.8	S300 L308	S300-E302 PolarHBondContact O-N 2.99Å; S300-E302 VanDerWaalsContact OG-CB 3.29Å; S300-E302 WeakPolarHBondContact OG-CB 3.44Å; S300-E302 PolarHBondContact OG-N 2.79Å; E302-L308 HydrophobicContact CB-CD1 3.84Å; E302-L308 HydrophobicContact CG-CD1 4.5Å
303	K	60.8	Low	70	Confident	68 Å²	68	61.3 Å²	61.3	30%	0.296	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-65.5	150.8	173.8	69.9	177	-173.2	176.6	0	111.7	D263 S305 L308 N310	D263-K303 IonicContact OD2-NZ 3.18Å; D263-K303 PolarHBondContact OD2-NZ 3.39Å; K303-S305 PolarHBondContact O-N 2.96Å; K303-L308 WeakPolarHBondContact O-CD1 3.42Å; K303-N310 PolarHBondContact O-ND2 2.88Å
304	M	68.4	Low	70	Confident	8 Å²	8	60.9 Å²	60.9	4%	0.039	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-66.3	119.9	166.5	179.6	179.2	-71	0	0	109.1	H74 L75 L295 H297 I312	H74-M304 HydrophobicContact CB-SD 4.42Å; L75-M304 HydrophobicContact CB-CE 4.26Å; L75-M304 HydrophobicContact CB-SD 3.77Å; L295-M304 HydrophobicContact CD2-CE 4.29Å; L295-M304 HydrophobicContact CD2-SD 4.14Å; L295-M304 PolarHBondContact O-N 2.88Å; H297-M304 WeakPolarHBondContact CE1-CE 3.26Å; M304-I312 HydrophobicContact CE-CB 4.36Å; M304-I312 HydrophobicContact CE-CD1 4.39Å; M304-I312 HydrophobicContact CE-CG1 4.15Å
305	S	64.1	Low	70.2	Confident	11 Å²	11	64.7 Å²	64.7	8%	0.077	36%	0.355	C	S	.	.			trans	-154.7	152.1	177.2	67.5	0	0	0	0	112.6	K303 S307 L308 K309 N310	K303-S305 PolarHBondContact O-N 2.96Å; S305-S307 VanDerWaalsContact C-N 3.26Å; S305-S307 PolarHBondContact O-N 3.03Å; S305-S307 PolarHBondContact OG-OG 2.99Å; S305-S307 VanDerWaalsContact OG-OG 3.07Å; S305-L308 PolarHBondContact O-N 3.23Å; S305-L308 VanDerWaalsContact O-N 3.15Å; S305-L308 WeakPolarHBondContact OG-CG 3.47Å; S305-K309 PolarHBondContact O-N 2.89Å; S305-N310 PolarHBondContact N-OD1 3.44Å; S305-N310 PolarHBondContact O-OD1 3.1Å; S305-N310 VanDerWaalsContact O-OD1 3.14Å
306	K	63.4	Low	70.5	Confident	24 Å²	24	68.3 Å²	68.3	10%	0.104	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-57.3	-39.1	175.2	-64.2	-179.7	170.3	-179.2	0	112.8	Y70 D71 H72 L308 K309 Y311	Y70-K306 HydrophobicContact CE1-CD 4.17Å; Y70-K306 HydrophobicContact CE2-CD 4.14Å; Y70-K306 WeakPolarHBondContact OH-CD 3.32Å; D71-K306 HydrophobicContact CB-CD 4.34Å; D71-K306 VanDerWaalsContact CB-NZ 3.35Å; D71-K306 PolarHBondContact O-NZ 3.43Å; D71-K306 WeakPolarHBondContact OD2-CD 3.37Å; D71-K306 VanDerWaalsContact OD2-CE 3.27Å; D71-K306 WeakPolarHBondContact OD2-CE 3.48Å; D71-K306 IonicContact OD2-NZ 4Å; H72-K306 WeakPolarHBondContact O-CE 3.19Å; H72-K306 PolarHBondContact O-NZ 3.28Å; K306-L308 PolarHBondContact O-N 3.09Å; K306-K309 PolarHBondContact O-N 3.43Å; K306-K309 VanDerWaalsContact O-N 3.08Å; K306-Y311 HydrophobicContact CB-CE1 4.44Å; K306-Y311 HydrophobicContact CG-CD1 4.33Å; K306-Y311 HydrophobicContact CG-CE1 4.28Å
307	S	61.2	Low	71	Confident	105 Å²	105	66.5 Å²	66.5	73%	0.734	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-61.5	-29.7	179.3	42.6	0	0	0	0	113.6	S305	S305-S307 VanDerWaalsContact C-N 3.26Å; S305-S307 PolarHBondContact O-N 3.03Å; S305-S307 PolarHBondContact OG-OG 2.99Å; S305-S307 VanDerWaalsContact OG-OG 3.07Å
308	L	59.2	Low	72	Confident	75 Å²	75	66.8 Å²	66.8	39%	0.393	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-93.7	-0	179.3	-64.5	175.1	0	0	0	112.7	E302 K303 S305 K306 N310	E302-L308 HydrophobicContact CB-CD1 3.84Å; E302-L308 HydrophobicContact CG-CD1 4.5Å; K303-L308 WeakPolarHBondContact O-CD1 3.42Å; S305-L308 PolarHBondContact O-N 3.23Å; S305-L308 VanDerWaalsContact O-N 3.15Å; S305-L308 WeakPolarHBondContact OG-CG 3.47Å; K306-L308 PolarHBondContact O-N 3.09Å; L308-N310 HydrophobicContact CB-CB 4.47Å; L308-N310 WeakPolarHBondContact CB-OD1 3.28Å; L308-N310 PolarHBondContact O-N 3.33Å
309	K	70.4	Confident	73.6	Confident	189 Å²	189	66.6 Å²	66.6	82%	0.822	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	25.2	-177.5	-58.9	-174.5	178.2	-175.9	0	114	S305 K306	S305-K309 PolarHBondContact O-N 2.89Å; K306-K309 PolarHBondContact O-N 3.43Å; K306-K309 VanDerWaalsContact O-N 3.08Å
310	N	70.4	Confident	75.4	Confident	33 Å²	33	66 Å²	66	18%	0.176	35%	0.351	C	S	.	.			trans	-111.5	37.4	-175.3	69.6	-14.7	0	0	0	111.8	K303 S305 L308	K303-N310 PolarHBondContact O-ND2 2.88Å; S305-N310 PolarHBondContact N-OD1 3.44Å; S305-N310 PolarHBondContact O-OD1 3.1Å; S305-N310 VanDerWaalsContact O-OD1 3.14Å; L308-N310 HydrophobicContact CB-CB 4.47Å; L308-N310 WeakPolarHBondContact CB-OD1 3.28Å; L308-N310 PolarHBondContact O-N 3.33Å
311	Y	78.8	Confident	77.3	Confident	74 Å²	74	64.4 Å²	64.4	29%	0.29	34%	0.339	S	S	.	.			trans	-112.7	151.1	-172.6	71.2	-85.8	0	0	0	112.9	D71 H74 K306 T313	D71-Y311 PolarHBondContact OD2-OH 2.91Å; H74-Y311 HydrophobicContact CB-CD2 3.72Å; H74-Y311 HydrophobicContact CB-CG 4.15Å; K306-Y311 HydrophobicContact CB-CE1 4.44Å; K306-Y311 HydrophobicContact CG-CD1 4.33Å; K306-Y311 HydrophobicContact CG-CE1 4.28Å; Y311-T313 HydrophobicContact CD2-CG2 4.33Å; Y311-T313 HydrophobicContact CE2-CG2 3.95Å
312	I	86.5	Confident	79.2	Confident	42 Å²	42	61.8 Å²	61.8	22%	0.215	31%	0.313	C	S	.	.			trans	-110.6	126.3	172.8	-55.9	173.3	0	0	0	106.3	H74 L75 M304 D316 F317 Y341	H74-I312 CarbonylContact C-O 3.59Å; H74-I312 VanDerWaalsContact CA-O 3.25Å; H74-I312 WeakPolarHBondContact CA-O 3.28Å; H74-I312 VanDerWaalsContact CB-O 3.31Å; H74-I312 WeakPolarHBondContact CB-O 3.47Å; L75-I312 HydrophobicContact CD1-CB 3.86Å; L75-I312 HydrophobicContact CD1-CD1 4.19Å; L75-I312 HydrophobicContact CD1-CG2 4.07Å; L75-I312 HydrophobicContact CG-CB 4.16Å; L75-I312 HydrophobicContact CG-CG2 4.42Å; L75-I312 PolarHBondContact N-O 3.23Å; M304-I312 HydrophobicContact CE-CB 4.36Å; M304-I312 HydrophobicContact CE-CD1 4.39Å; M304-I312 HydrophobicContact CE-CG1 4.15Å; I312-D316 HydrophobicContact CG2-CB 4.31Å; I312-F317 HydrophobicContact CG2-CB 3.99Å; I312-Y341 HydrophobicContact CD1-CD1 4.2Å; I312-Y341 HydrophobicContact CD1-CE1 3.54Å
313	T	91.7	Very high	81	Confident	15 Å²	15	57.2 Å²	57.2	9%	0.092	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-69.3	157.3	175.1	71.2	0	0	0	0	110	H72 A73 Y311 K315 D316 F317	H72-T313 HydrophobicContact CB-CG2 4Å; A73-T313 WeakPolarHBondContact O-CA 3.2Å; Y311-T313 HydrophobicContact CD2-CG2 4.33Å; Y311-T313 HydrophobicContact CE2-CG2 3.95Å; T313-K315 VanDerWaalsContact C-N 3.29Å; T313-K315 PolarHBondContact O-N 3.38Å; T313-D316 PolarHBondContact O-N 2.73Å; T313-D316 WeakPolarHBondContact OG1-CB 3.43Å; T313-D316 PolarHBondContact OG1-N 2.78Å; T313-D316 PolarHBondContact OG1-OD2 3.48Å; T313-F317 WeakPolarHBondContact O-CB 3.49Å; T313-F317 PolarHBondContact O-N 2.75Å
314	I	94.1	Very high	82.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-42.1	177	-65.1	168.1	0	0	0	109.9	A73 A78 D137 M138 L141 D316 F317 L318	A73-I314 HydrophobicContact CB-CD1 3.73Å; A73-I314 PolarHBondContact O-N 3.44Å; A78-I314 HydrophobicContact CB-CD1 3.77Å; A78-I314 HydrophobicContact CB-CG1 3.87Å; D137-I314 HydrophobicContact CB-CB 4.21Å; D137-I314 HydrophobicContact CB-CD1 3.74Å; D137-I314 HydrophobicContact CB-CG2 4.11Å; M138-I314 HydrophobicContact CE-CD1 3.46Å; M138-I314 VanDerWaalsContact CE-CD1 3.46Å; L141-I314 HydrophobicContact CD1-CD1 3.94Å; L141-I314 HydrophobicContact CD1-CG1 4.21Å; L141-I314 HydrophobicContact CD1-CG2 3.79Å; L141-I314 HydrophobicContact CD2-CG2 4.21Å; L141-I314 HydrophobicContact CG-CG2 3.9Å; I314-D316 PolarHBondContact O-N 2.84Å; I314-F317 PolarHBondContact O-N 3.1Å; I314-L318 HydrophobicContact CG2-CD1 3.8Å; I314-L318 HydrophobicContact CG2-CG 4.27Å; I314-L318 WeakPolarHBondContact O-CB 3.3Å; I314-L318 VanDerWaalsContact O-CG 3.3Å; I314-L318 WeakPolarHBondContact O-CG 3.44Å; I314-L318 PolarHBondContact O-N 3.27Å
315	K	91.2	Very high	84	Confident	135 Å²	135	55.5 Å²	55.5	59%	0.587	29%	0.286	S	S	*	.	H	α-helix	trans	-56.4	-47.1	175	-174.2	178.3	-179.3	179	0	113.2	T313 L318 Q319	T313-K315 VanDerWaalsContact C-N 3.29Å; T313-K315 PolarHBondContact O-N 3.38Å; K315-L318 PolarHBondContact O-N 3.49Å; K315-Q319 PolarHBondContact O-N 3.42Å
316	D	91.3	Very high	85.6	Confident	81 Å²	81	55 Å²	55	43%	0.433	28%	0.283	S	S	.	.	H	α-helix	trans	-67.7	-41.1	179.3	-64.3	-35.1	0	0	0	111.4	I312 T313 I314 L318 Q319	I312-D316 HydrophobicContact CG2-CB 4.31Å; T313-D316 PolarHBondContact O-N 2.73Å; T313-D316 WeakPolarHBondContact OG1-CB 3.43Å; T313-D316 PolarHBondContact OG1-N 2.78Å; T313-D316 PolarHBondContact OG1-OD2 3.48Å; I314-D316 PolarHBondContact O-N 2.84Å; D316-L318 VanDerWaalsContact C-N 3.31Å; D316-L318 PolarHBondContact O-N 2.95Å; D316-Q319 WeakPolarHBondContact O-CB 3.11Å; D316-Q319 PolarHBondContact O-N 3.46Å; D316-Q319 PolarHBondContact OD1-NE2 2.72Å
317	F	93.6	Very high	87.3	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-60.4	-41.5	176.1	170.6	-92.9	0	0	0	112.3	L75 I312 T313 I314 Q319 S320 H321 F326 Y341 M346	L75-F317 HydrophobicContact CD1-CB 4.16Å; L75-F317 HydrophobicContact CD1-CD2 3.63Å; L75-F317 HydrophobicContact CD1-CE2 4.32Å; L75-F317 HydrophobicContact CD1-CG 4.06Å; L75-F317 HydrophobicContact CD2-CB 3.75Å; L75-F317 HydrophobicContact CD2-CD1 3.96Å; L75-F317 HydrophobicContact CD2-CD2 3.93Å; L75-F317 HydrophobicContact CD2-CG 3.59Å; L75-F317 HydrophobicContact CG-CB 4.23Å; L75-F317 HydrophobicContact CG-CD2 4.37Å; L75-F317 HydrophobicContact CG-CG 4.33Å; I312-F317 HydrophobicContact CG2-CB 3.99Å; T313-F317 WeakPolarHBondContact O-CB 3.49Å; T313-F317 PolarHBondContact O-N 2.75Å; I314-F317 PolarHBondContact O-N 3.1Å; F317-Q319 PolarHBondContact O-N 3.09Å; F317-S320 PolarHBondContact O-N 3.39Å; F317-S320 VanDerWaalsContact O-N 3.16Å; F317-S320 PolarHBondContact O-OG 2.97Å; F317-H321 HydrophobicContact CD1-CB 4.21Å; F317-H321 HydrophobicContact CD2-CB 4.23Å; F317-H321 AromaticContact CD2-CD2 3.59Å; F317-H321 HydrophobicContact CE1-CB 3.59Å; F317-H321 HydrophobicContact CE2-CB 3.63Å; F317-H321 AromaticContact CE2-CD2 3.34Å; F317-H321 WeakPolarHBondContact CE2-CD2 3.43Å; F317-H321 AromaticContact CE2-CG 3.57Å; F317-H321 HydrophobicContact CG-CB 4.49Å; F317-H321 HydrophobicContact CZ-CB 3.28Å; F317-H321 AromaticContact CZ-CD2 3.98Å; F317-H321 AromaticContact CZ-CG 3.73Å; F317-H321 PolarHBondContact O-N 3.47Å; F317-F326 HydrophobicContact CE1-CB 3.63Å; F317-F326 AromaticContact CE1-CD2 3.92Å; F317-F326 HydrophobicContact CE1-CD2 3.92Å; F317-F326 AromaticContact CE1-CG 3.95Å; F317-F326 HydrophobicContact CE1-CG 3.95Å; F317-F326 HydrophobicContact CE2-CD2 4.21Å; F317-F326 HydrophobicContact CZ-CB 3.71Å; F317-F326 AromaticContact CZ-CD2 3.61Å; F317-F326 HydrophobicContact CZ-CD2 3.61Å; F317-F326 HydrophobicContact CZ-CG 4Å; F317-Y341 HydrophobicContact CD2-CE2 4.2Å; F317-Y341 AromaticContact CE2-CE2 3.92Å; F317-Y341 HydrophobicContact CE2-CE2 3.92Å; F317-M346 HydrophobicContact CE2-CE 3.88Å; F317-M346 HydrophobicContact CE2-SD 4.11Å; F317-M346 HydrophobicContact CZ-CE 3.62Å; F317-M346 HydrophobicContact CZ-SD 4.29Å
318	L	92.6	Very high	89.1	Confident	52 Å²	52	49.1 Å²	49.1	27%	0.272	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-6.8	-179.6	-70.8	175.8	0	0	0	113.9	L141 I314 K315 D316 H321	L141-L318 HydrophobicContact CD2-CD1 4.44Å; L141-L318 HydrophobicContact CD2-CD2 4.08Å; I314-L318 HydrophobicContact CG2-CD1 3.8Å; I314-L318 HydrophobicContact CG2-CG 4.27Å; I314-L318 WeakPolarHBondContact O-CB 3.3Å; I314-L318 VanDerWaalsContact O-CG 3.3Å; I314-L318 WeakPolarHBondContact O-CG 3.44Å; I314-L318 PolarHBondContact O-N 3.27Å; K315-L318 PolarHBondContact O-N 3.49Å; D316-L318 VanDerWaalsContact C-N 3.31Å; D316-L318 PolarHBondContact O-N 2.95Å; L318-H321 WeakPolarHBondContact CA-O 3.48Å
319	Q	90.5	Very high	90.9	Very high	149 Å²	149	45.6 Å²	45.6	70%	0.696	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-29	170.6	-65.1	170.4	22.8	0	0	112.3	K315 D316 F317	K315-Q319 PolarHBondContact O-N 3.42Å; D316-Q319 WeakPolarHBondContact O-CB 3.11Å; D316-Q319 PolarHBondContact O-N 3.46Å; D316-Q319 PolarHBondContact OD1-NE2 2.72Å; F317-Q319 PolarHBondContact O-N 3.09Å
320	S	89	Confident	92.2	Very high	76 Å²	76	36.7 Å²	36.7	53%	0.531	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-11.7	-175.9	62.4	0	0	0	0	114.5	F317	F317-S320 PolarHBondContact O-N 3.39Å; F317-S320 VanDerWaalsContact O-N 3.16Å; F317-S320 PolarHBondContact O-OG 2.97Å
321	H	92.8	Very high	93.5	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.037	18%	0.178	C	C	.	.	S	Bend	trans	-137.1	155	-178.1	-61.7	-70.8	0	0	0	111.8	F317 L318 E325 E343 M346 R350	F317-H321 HydrophobicContact CD1-CB 4.21Å; F317-H321 HydrophobicContact CD2-CB 4.23Å; F317-H321 AromaticContact CD2-CD2 3.59Å; F317-H321 HydrophobicContact CE1-CB 3.59Å; F317-H321 HydrophobicContact CE2-CB 3.63Å; F317-H321 AromaticContact CE2-CD2 3.34Å; F317-H321 WeakPolarHBondContact CE2-CD2 3.43Å; F317-H321 AromaticContact CE2-CG 3.57Å; F317-H321 HydrophobicContact CG-CB 4.49Å; F317-H321 HydrophobicContact CZ-CB 3.28Å; F317-H321 AromaticContact CZ-CD2 3.98Å; F317-H321 AromaticContact CZ-CG 3.73Å; F317-H321 PolarHBondContact O-N 3.47Å; L318-H321 WeakPolarHBondContact CA-O 3.48Å; H321-E325 WeakPolarHBondContact CA-OE2 3.34Å; H321-E325 WeakPolarHBondContact CB-OE2 3.35Å; H321-E325 IonicContact CG-OE2 2.85Å; H321-E325 IonicContact ND1-OE2 2.96Å; H321-E325 PolarHBondContact ND1-OE2 3.04Å; H321-E343 IonicContact CE1-OE2 2.79Å; H321-E343 IonicContact NE2-OE1 3.92Å; H321-M346 HydrophobicContact CB-CE 4.35Å; H321-R350 PolarHBondContact ND1-NH2 2.93Å
322	T	94.7	Very high	94.3	Very high	46 Å²	46	34.8 Å²	34.8	28%	0.282	19%	0.187	S	C	.	.			trans	-93.9	162.4	175.6	87	0	0	0	0	112.2	E324 E325 F326	T322-E324 VanDerWaalsContact C-N 3.28Å; T322-E324 VanDerWaalsContact CB-OE2 3.24Å; T322-E324 WeakPolarHBondContact CB-OE2 3.27Å; T322-E324 PolarHBondContact O-N 3.14Å; T322-E324 PolarHBondContact OG1-N 3.21Å; T322-E324 PolarHBondContact OG1-OE2 3.08Å; T322-E325 PolarHBondContact N-OE2 2.99Å; T322-E325 WeakPolarHBondContact O-CB 3.23Å; T322-E325 PolarHBondContact O-N 2.88Å; T322-E325 PolarHBondContact OG1-N 3.48Å; T322-F326 PolarHBondContact O-N 2.81Å; T322-F326 VanDerWaalsContact O-N 3.1Å
323	A	96.4	Very high	94.7	Very high	8 Å²	8	34.4 Å²	34.4	7%	0.066	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-40.2	172.8	0	0	0	0	0	111.8	S140 L141 K142 E325 F326 R327	S140-A323 VanDerWaalsContact O-CB 3.31Å; S140-A323 WeakPolarHBondContact O-CB 3.22Å; L141-A323 HydrophobicContact CD2-CB 4.47Å; K142-A323 HydrophobicContact CG-CB 4.46Å; A323-E325 VanDerWaalsContact C-N 3.34Å; A323-E325 PolarHBondContact O-N 2.93Å; A323-F326 PolarHBondContact O-N 3.39Å; A323-R327 WeakPolarHBondContact O-CB 3.13Å; A323-R327 WeakPolarHBondContact O-CG 3.39Å; A323-R327 PolarHBondContact O-N 3.19Å
324	E	96.5	Very high	95	Very high	27 Å²	27	36.1 Å²	36.1	13%	0.126	19%	0.193	C	C	.	.	H	α-helix	trans	-61.8	-42.2	177.1	-60.6	74.7	-163.4	0	0	111.5	K142 T322 F326 R327 M328 L353 I452	K142-E324 WeakPolarHBondContact CE-OE1 3.37Å; K142-E324 IonicContact NZ-OE1 3.05Å; K142-E324 PolarHBondContact NZ-OE1 3.35Å; T322-E324 VanDerWaalsContact C-N 3.28Å; T322-E324 VanDerWaalsContact CB-OE2 3.24Å; T322-E324 WeakPolarHBondContact CB-OE2 3.27Å; T322-E324 PolarHBondContact O-N 3.14Å; T322-E324 PolarHBondContact OG1-N 3.21Å; T322-E324 PolarHBondContact OG1-OE2 3.08Å; E324-F326 VanDerWaalsContact C-N 3.33Å; E324-F326 PolarHBondContact O-N 3.02Å; E324-R327 PolarHBondContact O-N 3.02Å; E324-M328 WeakPolarHBondContact O-CB 3.08Å; E324-M328 PolarHBondContact O-N 2.88Å; E324-L353 HydrophobicContact CB-CD1 4.04Å; E324-I452 HydrophobicContact CB-CG2 4.1Å; E324-I452 HydrophobicContact CG-CG2 4.08Å
325	E	96.8	Very high	95.1	Very high	14 Å²	14	36.3 Å²	36.3	7%	0.065	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-44.8	175.8	-67.3	-179.6	164.8	0	0	110.8	H321 T322 A323 M328 F329 M346 R350 L353	H321-E325 WeakPolarHBondContact CA-OE2 3.34Å; H321-E325 WeakPolarHBondContact CB-OE2 3.35Å; H321-E325 IonicContact CG-OE2 2.85Å; H321-E325 IonicContact ND1-OE2 2.96Å; H321-E325 PolarHBondContact ND1-OE2 3.04Å; T322-E325 PolarHBondContact N-OE2 2.99Å; T322-E325 WeakPolarHBondContact O-CB 3.23Å; T322-E325 PolarHBondContact O-N 2.88Å; T322-E325 PolarHBondContact OG1-N 3.48Å; A323-E325 VanDerWaalsContact C-N 3.34Å; A323-E325 PolarHBondContact O-N 2.93Å; E325-M328 PolarHBondContact O-N 2.84Å; E325-F329 WeakPolarHBondContact O-CB 3.44Å; E325-F329 PolarHBondContact O-N 3.42Å; E325-M346 HydrophobicContact CB-CE 3.93Å; E325-R350 HydrophobicContact CG-CB 4.42Å; E325-R350 WeakPolarHBondContact OE1-CG 3.37Å; E325-R350 IonicContact OE1-CZ 3.54Å; E325-R350 IonicContact OE1-NE 3.2Å; E325-R350 PolarHBondContact OE1-NE 2.77Å; E325-R350 IonicContact OE1-NH2 2.76Å; E325-R350 PolarHBondContact OE1-NH2 2.95Å; E325-R350 IonicContact OE2-CZ 2.73Å; E325-R350 IonicContact OE2-NE 2.72Å; E325-R350 IonicContact OE2-NH2 3.4Å; E325-R350 PolarHBondContact OE2-NH2 3.29Å; E325-L353 HydrophobicContact CB-CD1 4.44Å; E325-L353 HydrophobicContact CG-CD1 4.04Å
326	F	97.6	Very high	95.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-40.1	177.5	-170.6	-114.3	0	0	0	113.1	L75 A78 C79 V82 L141 F317 T322 A323 E324 F329 C330	L75-F326 HydrophobicContact CD2-CD2 4.39Å; L75-F326 HydrophobicContact CD2-CE2 3.87Å; L75-F326 HydrophobicContact CD2-CZ 4.15Å; A78-F326 HydrophobicContact CB-CE1 3.67Å; A78-F326 HydrophobicContact CB-CZ 3.77Å; C79-F326 HydrophobicContact CB-CZ 4.01Å; V82-F326 HydrophobicContact CB-CE1 4.27Å; V82-F326 HydrophobicContact CG2-CD1 4.06Å; V82-F326 HydrophobicContact CG2-CE1 3.9Å; L141-F326 HydrophobicContact CD1-CD1 4.41Å; L141-F326 HydrophobicContact CD1-CE1 4.34Å; L141-F326 HydrophobicContact CD2-CD1 3.99Å; F317-F326 HydrophobicContact CE1-CB 3.63Å; F317-F326 AromaticContact CE1-CD2 3.92Å; F317-F326 HydrophobicContact CE1-CD2 3.92Å; F317-F326 AromaticContact CE1-CG 3.95Å; F317-F326 HydrophobicContact CE1-CG 3.95Å; F317-F326 HydrophobicContact CE2-CD2 4.21Å; F317-F326 HydrophobicContact CZ-CB 3.71Å; F317-F326 AromaticContact CZ-CD2 3.61Å; F317-F326 HydrophobicContact CZ-CD2 3.61Å; F317-F326 HydrophobicContact CZ-CG 4Å; T322-F326 PolarHBondContact O-N 2.81Å; T322-F326 VanDerWaalsContact O-N 3.1Å; A323-F326 PolarHBondContact O-N 3.39Å; E324-F326 VanDerWaalsContact C-N 3.33Å; E324-F326 PolarHBondContact O-N 3.02Å; F326-F329 HydrophobicContact CD2-CD1 4.09Å; F326-F329 HydrophobicContact CE2-CD1 4.03Å; F326-F329 HydrophobicContact CE2-CE1 4.27Å; F326-F329 WeakPolarHBondContact O-CB 3.4Å; F326-F329 PolarHBondContact O-N 3.03Å; F326-C330 PolarHBondContact O-N 3.41Å; F326-C330 PolarHBondContact O-SG 2.83Å
327	R	98.3	Very high	95.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-44.1	176.9	-68.5	180	76.7	89.6	6.7	110.9	V82 D85 L141 K142 A323 E324 F329 C330 L331 F450 G451 I452	V82-R327 HydrophobicContact CG1-CB 4.47Å; V82-R327 HydrophobicContact CG1-CG 3.8Å; D85-R327 IonicContact OD2-CZ 4Å; D85-R327 IonicContact OD2-NH1 3.81Å; D85-R327 PolarHBondContact OD2-NH1 3.3Å; D85-R327 IonicContact OD2-NH2 3.93Å; D85-R327 PolarHBondContact OD2-NH2 3.41Å; L141-R327 PolarHBondContact O-NH1 3.14Å; L141-R327 VanDerWaalsContact O-NH1 3.08Å; K142-R327 PolarHBondContact O-NH1 3.2Å; A323-R327 WeakPolarHBondContact O-CB 3.13Å; A323-R327 WeakPolarHBondContact O-CG 3.39Å; A323-R327 PolarHBondContact O-N 3.19Å; E324-R327 PolarHBondContact O-N 3.02Å; R327-F329 VanDerWaalsContact C-N 3.31Å; R327-F329 PolarHBondContact O-N 3.23Å; R327-C330 WeakPolarHBondContact O-CB 3.42Å; R327-C330 PolarHBondContact O-N 3.25Å; R327-C330 VanDerWaalsContact O-N 3.09Å; R327-L331 WeakPolarHBondContact O-CG 3.17Å; R327-L331 PolarHBondContact O-N 2.88Å; R327-F450 PolarHBondContact NE-O 3.36Å; R327-F450 PolarHBondContact NH2-O 3.4Å; R327-G451 VanDerWaalsContact CD-O 3.28Å; R327-G451 WeakPolarHBondContact CD-O 3.43Å; R327-G451 PolarHBondContact NE-O 2.84Å; R327-G451 VanDerWaalsContact NE-O 3.14Å; R327-I452 HydrophobicContact CB-CD1 4.25Å; R327-I452 HydrophobicContact CB-CG1 3.85Å
328	M	98.2	Very high	95.5	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.03	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-40.6	173.4	-176.7	62.7	82.9	0	0	111.6	E324 E325 C330 L331 S332 A349 L353 I356 V406 L447 I452	E324-M328 WeakPolarHBondContact O-CB 3.08Å; E324-M328 PolarHBondContact O-N 2.88Å; E325-M328 PolarHBondContact O-N 2.84Å; M328-C330 VanDerWaalsContact C-N 3.33Å; M328-C330 PolarHBondContact O-N 3.41Å; M328-L331 PolarHBondContact O-N 2.79Å; M328-L331 HydrophobicContact SD-CD1 4.23Å; M328-S332 PolarHBondContact O-N 2.87Å; M328-A349 HydrophobicContact CB-CB 4.13Å; M328-A349 HydrophobicContact CG-CB 4.01Å; M328-L353 HydrophobicContact CB-CD1 3.9Å; M328-L353 HydrophobicContact CB-CD2 4.21Å; M328-L353 HydrophobicContact CB-CG 3.95Å; M328-L353 HydrophobicContact CE-CD2 3.52Å; M328-L353 HydrophobicContact CE-CG 3.95Å; M328-L353 HydrophobicContact CG-CD1 4.45Å; M328-L353 HydrophobicContact CG-CD2 4.43Å; M328-L353 HydrophobicContact CG-CG 4.04Å; M328-I356 HydrophobicContact CE-CD1 3.84Å; M328-V406 HydrophobicContact SD-CG1 4.25Å; M328-V406 HydrophobicContact SD-CG2 4.5Å; M328-L447 HydrophobicContact CE-CD2 4.33Å; M328-I452 HydrophobicContact CB-CD1 4.14Å; M328-I452 HydrophobicContact CE-CD1 4.23Å
329	F	97.9	Very high	95.3	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-58.2	-44.4	171.6	166.3	-101.1	0	0	0	111.6	L295 E325 F326 R327 L331 S332 I339 Y341 S345 M346 A349	L295-F329 HydrophobicContact CD1-CE1 3.92Å; L295-F329 HydrophobicContact CD1-CZ 3.94Å; E325-F329 WeakPolarHBondContact O-CB 3.44Å; E325-F329 PolarHBondContact O-N 3.42Å; F326-F329 HydrophobicContact CD2-CD1 4.09Å; F326-F329 HydrophobicContact CE2-CD1 4.03Å; F326-F329 HydrophobicContact CE2-CE1 4.27Å; F326-F329 WeakPolarHBondContact O-CB 3.4Å; F326-F329 PolarHBondContact O-N 3.03Å; R327-F329 VanDerWaalsContact C-N 3.31Å; R327-F329 PolarHBondContact O-N 3.23Å; F329-L331 VanDerWaalsContact C-N 3.3Å; F329-L331 PolarHBondContact O-N 3.44Å; F329-S332 WeakPolarHBondContact O-CB 3.35Å; F329-S332 PolarHBondContact O-N 2.97Å; F329-S332 PolarHBondContact O-OG 3.26Å; F329-I339 HydrophobicContact CD1-CD1 4.07Å; F329-I339 HydrophobicContact CD2-CD1 3.87Å; F329-I339 HydrophobicContact CE1-CD1 3.63Å; F329-I339 HydrophobicContact CE1-CG1 4.29Å; F329-I339 HydrophobicContact CE1-CG2 4.24Å; F329-I339 HydrophobicContact CE2-CD1 3.4Å; F329-I339 VanDerWaalsContact CE2-CD1 3.4Å; F329-I339 HydrophobicContact CE2-CG1 3.82Å; F329-I339 HydrophobicContact CG-CD1 4.19Å; F329-I339 HydrophobicContact CZ-CB 4.47Å; F329-I339 HydrophobicContact CZ-CD1 3.28Å; F329-I339 HydrophobicContact CZ-CG1 3.58Å; F329-I339 HydrophobicContact CZ-CG2 4.11Å; F329-I339 WeakPolarHBondContact O-CD1 3.45Å; F329-Y341 HydrophobicContact CZ-CD2 4.36Å; F329-S345 WeakPolarHBondContact CE2-OG 3.21Å; F329-M346 HydrophobicContact CB-CE 4.34Å; F329-M346 HydrophobicContact CB-SD 3.79Å; F329-M346 HydrophobicContact CD1-SD 4.21Å; F329-M346 HydrophobicContact CD2-SD 3.9Å; F329-M346 HydrophobicContact CG-SD 3.7Å; F329-A349 HydrophobicContact CB-CB 3.9Å
330	C	97.9	Very high	95.3	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-31	177.5	-69	0	0	0	0	113.4	V82 R83 I86 F326 R327 M328 S332	V82-C330 HydrophobicContact CG1-CB 4.06Å; R83-C330 HydrophobicContact CG-CB 4.17Å; I86-C330 HydrophobicContact CD1-CB 4.4Å; F326-C330 PolarHBondContact O-N 3.41Å; F326-C330 PolarHBondContact O-SG 2.83Å; R327-C330 WeakPolarHBondContact O-CB 3.42Å; R327-C330 PolarHBondContact O-N 3.25Å; R327-C330 VanDerWaalsContact O-N 3.09Å; M328-C330 VanDerWaalsContact C-N 3.33Å; M328-C330 PolarHBondContact O-N 3.41Å; C330-S332 VanDerWaalsContact C-N 3.32Å
331	L	98	Very high	95.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-73	-21.7	177.8	-65.3	169.9	0	0	0	113.6	I86 R327 M328 F329 T333 T402 V406 F450 I452	I86-L331 HydrophobicContact CD1-CD2 3.82Å; I86-L331 HydrophobicContact CD1-CG 4.25Å; I86-L331 HydrophobicContact CG1-CD2 4.45Å; I86-L331 HydrophobicContact CG2-CD2 3.88Å; R327-L331 WeakPolarHBondContact O-CG 3.17Å; R327-L331 PolarHBondContact O-N 2.88Å; M328-L331 PolarHBondContact O-N 2.79Å; M328-L331 HydrophobicContact SD-CD1 4.23Å; F329-L331 VanDerWaalsContact C-N 3.3Å; F329-L331 PolarHBondContact O-N 3.44Å; L331-T333 PolarHBondContact O-N 3Å; L331-T333 VanDerWaalsContact O-N 3.17Å; L331-T402 HydrophobicContact CD2-CG2 3.65Å; L331-T402 CarbonylContact O-C 3.05Å; L331-T402 PolarHBondContact O-OG1 3.15Å; L331-T402 VanDerWaalsContact O-OG1 3.08Å; L331-V406 HydrophobicContact CB-CG2 3.89Å; L331-V406 HydrophobicContact CD1-CG2 4.05Å; L331-F450 HydrophobicContact CD1-CB 3.81Å; L331-F450 HydrophobicContact CD1-CD2 3.56Å; L331-F450 HydrophobicContact CD1-CE2 4.27Å; L331-F450 HydrophobicContact CD1-CG 3.77Å; L331-F450 HydrophobicContact CD2-CB 4.18Å; L331-F450 HydrophobicContact CD2-CD1 3.87Å; L331-F450 HydrophobicContact CD2-CD2 4.17Å; L331-F450 HydrophobicContact CD2-CE1 4.28Å; L331-F450 HydrophobicContact CD2-CG 3.82Å; L331-F450 HydrophobicContact CG-CG 4.47Å; L331-I452 HydrophobicContact CD1-CD1 3.68Å
332	S	94.9	Very high	95.2	Very high	67 Å²	67	26.7 Å²	26.7	47%	0.469	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.4	-175	70.7	0	0	0	0	114.1	M328 F329 C330	M328-S332 PolarHBondContact O-N 2.87Å; F329-S332 WeakPolarHBondContact O-CB 3.35Å; F329-S332 PolarHBondContact O-N 2.97Å; F329-S332 PolarHBondContact O-OG 3.26Å; C330-S332 VanDerWaalsContact C-N 3.32Å
333	T	95.3	Very high	94.8	Very high	34 Å²	34	30.1 Å²	30.1	21%	0.209	17%	0.168	C	C	.	.	S	Bend	trans	-133.6	158.1	177.7	55.5	0	0	0	0	110	R83 L331 I339 P403	R83-T333 PolarHBondContact NH2-OG1 2.95Å; L331-T333 PolarHBondContact O-N 3Å; L331-T333 VanDerWaalsContact O-N 3.17Å; T333-I339 HydrophobicContact CG2-CB 4.45Å; T333-I339 HydrophobicContact CG2-CD1 4.13Å; T333-I339 HydrophobicContact CG2-CG1 4.05Å; T333-I339 WeakPolarHBondContact OG1-CD1 3.38Å; T333-P403 VanDerWaalsContact C-CG 3.43Å
334	K	96.7	Very high	94.5	Very high	51 Å²	51	31.3 Å²	31.3	22%	0.222	18%	0.181	C	C	.	.			trans	-61.1	145.3	174.3	-58.3	-168.8	178.3	-150.3	0	109.8	R336 S337 D401 P403	K334-R336 PolarHBondContact O-N 3.15Å; K334-R336 VanDerWaalsContact O-N 3.11Å; K334-S337 WeakPolarHBondContact O-CB 3.38Å; K334-S337 PolarHBondContact O-N 3.33Å; K334-D401 WeakPolarHBondContact CE-OD2 3.34Å; K334-D401 IonicContact NZ-OD2 3.61Å; K334-D401 PolarHBondContact NZ-OD2 2.93Å; K334-P403 HydrophobicContact CG-CG 4.3Å
335	Y	97.7	Very high	94.4	Very high	4 Å²	4	31 Å²	31	2%	0.016	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-36.2	-176.7	79.7	-83.5	0	0	0	113.3	F42 R83 F84 L87 L290 S292 G293 S337	F42-Y335 PolarHBondContact O-OH 3.24Å; R83-Y335 PolarHBondContact NH1-O 2.84Å; F84-Y335 HydrophobicContact CE1-CD2 4.16Å; F84-Y335 HydrophobicContact CE1-CE2 4.34Å; L87-Y335 HydrophobicContact CD1-CD1 4.22Å; L87-Y335 HydrophobicContact CD1-CG 4.1Å; L87-Y335 HydrophobicContact CD2-CD1 4.07Å; L87-Y335 HydrophobicContact CD2-CD2 4.09Å; L87-Y335 HydrophobicContact CD2-CE1 4.25Å; L87-Y335 HydrophobicContact CD2-CE2 4.26Å; L87-Y335 HydrophobicContact CD2-CG 4Å; L290-Y335 HydrophobicContact CB-CE2 4.12Å; S292-Y335 VanDerWaalsContact CA-O 3.3Å; S292-Y335 WeakPolarHBondContact CA-O 3.48Å; G293-Y335 PolarHBondContact N-O 2.88Å; Y335-S337 VanDerWaalsContact C-N 3.34Å
336	R	95.8	Very high	94.3	Very high	65 Å²	65	30.3 Å²	30.3	25%	0.245	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-11.6	178.7	67.6	157.9	167	-70.9	-6.2	114.8	H291 G293 K334 D399	H291-R336 WeakPolarHBondContact O-CA 3.26Å; H291-R336 WeakPolarHBondContact O-CB 3.26Å; G293-R336 WeakPolarHBondContact CA-O 3.31Å; G293-R336 PolarHBondContact N-O 3.46Å; K334-R336 PolarHBondContact O-N 3.15Å; K334-R336 VanDerWaalsContact O-N 3.11Å; R336-D399 IonicContact CZ-OD1 2.91Å; R336-D399 IonicContact CZ-OD2 2.8Å; R336-D399 IonicContact NH1-OD1 3.78Å; R336-D399 PolarHBondContact NH1-OD1 3.3Å; R336-D399 IonicContact NH1-OD2 3.35Å; R336-D399 PolarHBondContact NH1-OD2 3.47Å; R336-D399 IonicContact NH2-OD2 3.71Å; R336-D399 PolarHBondContact NH2-OD2 2.99Å
337	S	95.2	Very high	94	Very high	48 Å²	48	33.3 Å²	33.3	34%	0.336	20%	0.199	S	C	.	.	S	Bend	trans	-84.6	143.1	-178.3	-65.7	0	0	0	0	110.7	R83 K334 Y335	R83-S337 PolarHBondContact NH1-O 2.81Å; R83-S337 PolarHBondContact NH2-O 2.76Å; K334-S337 WeakPolarHBondContact O-CB 3.38Å; K334-S337 PolarHBondContact O-N 3.33Å; Y335-S337 VanDerWaalsContact C-N 3.34Å
338	A	91.8	Very high	93.9	Very high	55 Å²	55	39.8 Å²	39.8	46%	0.455	23%	0.23	S	C	.	.			trans	-61.7	145.8	167.5	0	0	0	0	0	109.8	H294	H294-A338 CarbonylContact O-C 3.59Å; H294-A338 WeakPolarHBondContact O-CA 3.24Å
339	I	89.9	Confident	93.8	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.036	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.2	177.4	-168.5	175.8	0	0	0	109.7	H294 L295 H296 F329 T333	H294-I339 PolarHBondContact O-N 3.37Å; L295-I339 WeakPolarHBondContact CA-O 3.4Å; L295-I339 HydrophobicContact CD1-CG2 3.46Å; L295-I339 VanDerWaalsContact CD1-CG2 3.46Å; H296-I339 PolarHBondContact N-O 2.95Å; F329-I339 HydrophobicContact CD1-CD1 4.07Å; F329-I339 HydrophobicContact CD2-CD1 3.87Å; F329-I339 HydrophobicContact CE1-CD1 3.63Å; F329-I339 HydrophobicContact CE1-CG1 4.29Å; F329-I339 HydrophobicContact CE1-CG2 4.24Å; F329-I339 HydrophobicContact CE2-CD1 3.4Å; F329-I339 VanDerWaalsContact CE2-CD1 3.4Å; F329-I339 HydrophobicContact CE2-CG1 3.82Å; F329-I339 HydrophobicContact CG-CD1 4.19Å; F329-I339 HydrophobicContact CZ-CB 4.47Å; F329-I339 HydrophobicContact CZ-CD1 3.28Å; F329-I339 HydrophobicContact CZ-CG1 3.58Å; F329-I339 HydrophobicContact CZ-CG2 4.11Å; F329-I339 WeakPolarHBondContact O-CD1 3.45Å; T333-I339 HydrophobicContact CG2-CB 4.45Å; T333-I339 HydrophobicContact CG2-CD1 4.13Å; T333-I339 HydrophobicContact CG2-CG1 4.05Å; T333-I339 WeakPolarHBondContact OG1-CD1 3.38Å
340	N	89.4	Confident	93.7	Very high	89 Å²	89	41.9 Å²	41.9	48%	0.476	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.8	179.5	-65.1	-40.9	0	0	0	109.1	H296 S345	H296-N340 WeakPolarHBondContact CB-OD1 3.48Å; N340-S345 PolarHBondContact O-OG 3.5Å
341	Y	89.8	Confident	93.6	Very high	17 Å²	17	44.7 Å²	44.7	7%	0.067	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129.9	171.4	-178.9	-96.1	0	0	0	110.9	L75 H296 H297 K298 I312 F317 F329 M346	L75-Y341 HydrophobicContact CD1-CD2 4.16Å; L75-Y341 HydrophobicContact CD1-CE2 3.83Å; H296-Y341 PolarHBondContact O-N 3.03Å; H297-Y341 AromaticContact CE1-CD1 3.56Å; H297-Y341 AromaticContact ND1-CD1 3.68Å; K298-Y341 WeakPolarHBondContact CB-O 3.46Å; K298-Y341 PolarHBondContact N-O 2.92Å; I312-Y341 HydrophobicContact CD1-CD1 4.2Å; I312-Y341 HydrophobicContact CD1-CE1 3.54Å; F317-Y341 HydrophobicContact CD2-CE2 4.2Å; F317-Y341 AromaticContact CE2-CE2 3.92Å; F317-Y341 HydrophobicContact CE2-CE2 3.92Å; F329-Y341 HydrophobicContact CZ-CD2 4.36Å; Y341-M346 HydrophobicContact CD2-CG 4.3Å; Y341-M346 HydrophobicContact CD2-SD 4.4Å; Y341-M346 HydrophobicContact CE2-CG 3.64Å; Y341-M346 HydrophobicContact CE2-SD 3.96Å
342	S	89.8	Confident	93.5	Very high	21 Å²	21	46.3 Å²	46.3	15%	0.147	27%	0.269	C	S	.	.			trans	-160.3	162.1	170.4	62.7	0	0	0	0	111.1	G344 S345 M346	S342-G344 PolarHBondContact O-N 2.89Å; S342-S345 PolarHBondContact N-OG 3.3Å; S342-S345 PolarHBondContact O-N 2.85Å; S342-S345 PolarHBondContact O-OG 3.28Å; S342-S345 PolarHBondContact OG-N 3.49Å; S342-S345 VanDerWaalsContact OG-N 3.14Å; S342-S345 PolarHBondContact OG-OG 3.18Å; S342-S345 VanDerWaalsContact OG-OG 3.04Å; S342-M346 PolarHBondContact O-N 3.05Å
343	E	87.7	Confident	93.6	Very high	117 Å²	117	43.1 Å²	43.1	55%	0.547	25%	0.247	S	C	.	.	H	α-helix	trans	-55.9	-36.1	169.9	-69.8	-52.9	132.5	0	0	112.6	H321 M346 S347	H321-E343 IonicContact CE1-OE2 2.79Å; H321-E343 IonicContact NE2-OE1 3.92Å; E343-M346 PolarHBondContact O-N 3.24Å; E343-S347 VanDerWaalsContact O-CB 3.26Å; E343-S347 WeakPolarHBondContact O-CB 3.34Å; E343-S347 PolarHBondContact O-N 3.24Å
344	G	89.9	Confident	93.5	Very high	34 Å²	34	46.4 Å²	46.4	35%	0.351	26%	0.26	S	S	.	.	H	α-helix	trans	-61.8	-50.3	176.6	0	0	0	0	0	112.5	S342 M346 S347 E348	S342-G344 PolarHBondContact O-N 2.89Å; G344-M346 VanDerWaalsContact C-N 3.31Å; G344-M346 PolarHBondContact O-N 2.92Å; G344-S347 WeakPolarHBondContact O-CB 3.32Å; G344-S347 PolarHBondContact O-N 3.28Å; G344-E348 WeakPolarHBondContact O-CG 3.5Å; G344-E348 PolarHBondContact O-N 2.84Å
345	S	93.3	Very high	93.5	Very high	20 Å²	20	46.4 Å²	46.4	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-32.5	178.9	53.8	0	0	0	0	112.9	F329 N340 S342 A349	F329-S345 WeakPolarHBondContact CE2-OG 3.21Å; N340-S345 PolarHBondContact O-OG 3.5Å; S342-S345 PolarHBondContact N-OG 3.3Å; S342-S345 PolarHBondContact O-N 2.85Å; S342-S345 PolarHBondContact O-OG 3.28Å; S342-S345 PolarHBondContact OG-N 3.49Å; S342-S345 VanDerWaalsContact OG-N 3.14Å; S342-S345 PolarHBondContact OG-OG 3.18Å; S342-S345 VanDerWaalsContact OG-OG 3.04Å; S345-A349 PolarHBondContact O-N 3.47Å
346	M	94.6	Very high	93.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70.5	-39.2	172.8	-71.3	-52.1	-53.3	0	0	111.9	F317 H321 E325 F329 Y341 S342 E343 G344 E348 A349 R350	F317-M346 HydrophobicContact CE2-CE 3.88Å; F317-M346 HydrophobicContact CE2-SD 4.11Å; F317-M346 HydrophobicContact CZ-CE 3.62Å; F317-M346 HydrophobicContact CZ-SD 4.29Å; H321-M346 HydrophobicContact CB-CE 4.35Å; E325-M346 HydrophobicContact CB-CE 3.93Å; F329-M346 HydrophobicContact CB-CE 4.34Å; F329-M346 HydrophobicContact CB-SD 3.79Å; F329-M346 HydrophobicContact CD1-SD 4.21Å; F329-M346 HydrophobicContact CD2-SD 3.9Å; F329-M346 HydrophobicContact CG-SD 3.7Å; Y341-M346 HydrophobicContact CD2-CG 4.3Å; Y341-M346 HydrophobicContact CD2-SD 4.4Å; Y341-M346 HydrophobicContact CE2-CG 3.64Å; Y341-M346 HydrophobicContact CE2-SD 3.96Å; S342-M346 PolarHBondContact O-N 3.05Å; E343-M346 PolarHBondContact O-N 3.24Å; G344-M346 VanDerWaalsContact C-N 3.31Å; G344-M346 PolarHBondContact O-N 2.92Å; M346-E348 VanDerWaalsContact C-N 3.33Å; M346-E348 PolarHBondContact O-N 3.43Å; M346-A349 PolarHBondContact O-N 2.86Å; M346-R350 PolarHBondContact O-N 3.39Å
347	S	92.7	Very high	93.4	Very high	62 Å²	62	46.6 Å²	46.6	43%	0.434	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-38.8	174.5	-170.8	0	0	0	0	112.1	E343 G344 R350 S351	E343-S347 VanDerWaalsContact O-CB 3.26Å; E343-S347 WeakPolarHBondContact O-CB 3.34Å; E343-S347 PolarHBondContact O-N 3.24Å; G344-S347 WeakPolarHBondContact O-CB 3.32Å; G344-S347 PolarHBondContact O-N 3.28Å; S347-R350 PolarHBondContact O-N 3.33Å; S347-S351 VanDerWaalsContact O-CB 3.31Å; S347-S351 WeakPolarHBondContact O-CB 3.47Å; S347-S351 PolarHBondContact O-N 2.88Å
348	E	95.1	Very high	93.2	Very high	136 Å²	136	46.9 Å²	46.9	64%	0.636	27%	0.27	S	S	*	.	H	α-helix	trans	-62.4	-43.8	173.6	-73	169.4	-163.2	0	0	112.2	G344 M346 S351 S352	G344-E348 WeakPolarHBondContact O-CG 3.5Å; G344-E348 PolarHBondContact O-N 2.84Å; M346-E348 VanDerWaalsContact C-N 3.33Å; M346-E348 PolarHBondContact O-N 3.43Å; E348-S351 PolarHBondContact O-N 3.49Å; E348-S352 WeakPolarHBondContact O-CB 3.47Å; E348-S352 PolarHBondContact O-N 3Å; E348-S352 PolarHBondContact O-OG 3.47Å
349	A	96.3	Very high	93.4	Very high	6 Å²	6	44.2 Å²	44.2	5%	0.05	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-45.2	175.7	0	0	0	0	0	111.7	M328 F329 S345 M346 S352 L353	M328-A349 HydrophobicContact CB-CB 4.13Å; M328-A349 HydrophobicContact CG-CB 4.01Å; F329-A349 HydrophobicContact CB-CB 3.9Å; S345-A349 PolarHBondContact O-N 3.47Å; M346-A349 PolarHBondContact O-N 2.86Å; A349-S352 PolarHBondContact O-N 2.9Å; A349-L353 WeakPolarHBondContact O-CG 3.41Å; A349-L353 PolarHBondContact O-N 3.46Å; A349-L353 VanDerWaalsContact O-N 3.13Å
350	R	95.4	Very high	93.7	Very high	46 Å²	46	44.4 Å²	44.4	17%	0.174	25%	0.249	C	C	.	.	H	α-helix	trans	-58.8	-50.4	174.1	177.8	-178.7	-63.1	135.1	3.3	111.8	H321 E325 M346 S347 S352 L353 E354	H321-R350 PolarHBondContact ND1-NH2 2.93Å; E325-R350 HydrophobicContact CG-CB 4.42Å; E325-R350 WeakPolarHBondContact OE1-CG 3.37Å; E325-R350 IonicContact OE1-CZ 3.54Å; E325-R350 IonicContact OE1-NE 3.2Å; E325-R350 PolarHBondContact OE1-NE 2.77Å; E325-R350 IonicContact OE1-NH2 2.76Å; E325-R350 PolarHBondContact OE1-NH2 2.95Å; E325-R350 IonicContact OE2-CZ 2.73Å; E325-R350 IonicContact OE2-NE 2.72Å; E325-R350 IonicContact OE2-NH2 3.4Å; E325-R350 PolarHBondContact OE2-NH2 3.29Å; M346-R350 PolarHBondContact O-N 3.39Å; S347-R350 PolarHBondContact O-N 3.33Å; R350-S352 VanDerWaalsContact C-N 3.26Å; R350-S352 PolarHBondContact O-N 3.39Å; R350-L353 WeakPolarHBondContact O-CB 3.32Å; R350-L353 PolarHBondContact O-N 2.88Å; R350-L353 VanDerWaalsContact O-N 3.1Å; R350-E354 HydrophobicContact CG-CG 4.3Å; R350-E354 WeakPolarHBondContact O-CG 3.31Å; R350-E354 PolarHBondContact O-N 3.49Å
351	S	95.4	Very high	93.7	Very high	59 Å²	59	41.8 Å²	41.8	41%	0.413	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-37	-179.3	-175.6	0	0	0	0	112.2	S347 E348 E354 T355	S347-S351 VanDerWaalsContact O-CB 3.31Å; S347-S351 WeakPolarHBondContact O-CB 3.47Å; S347-S351 PolarHBondContact O-N 2.88Å; E348-S351 PolarHBondContact O-N 3.49Å; S351-E354 PolarHBondContact O-N 3.3Å; S351-T355 WeakPolarHBondContact O-CB 3.44Å; S351-T355 PolarHBondContact O-N 3.02Å; S351-T355 PolarHBondContact O-OG1 3.24Å
352	S	96.7	Very high	93.7	Very high	34 Å²	34	41.7 Å²	41.7	24%	0.238	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-46.9	174.3	-59.4	0	0	0	0	111.3	E348 A349 R350 T355 I356	E348-S352 WeakPolarHBondContact O-CB 3.47Å; E348-S352 PolarHBondContact O-N 3Å; E348-S352 PolarHBondContact O-OG 3.47Å; A349-S352 PolarHBondContact O-N 2.9Å; R350-S352 VanDerWaalsContact C-N 3.26Å; R350-S352 PolarHBondContact O-N 3.39Å; S352-T355 PolarHBondContact O-N 3.49Å; S352-I356 WeakPolarHBondContact O-CG1 3.47Å; S352-I356 PolarHBondContact O-N 3.28Å; S352-I356 VanDerWaalsContact O-N 3.12Å
353	L	96.7	Very high	94	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.7	-43.8	176.1	-70.2	167.5	0	0	0	112.4	E324 E325 M328 A349 R350 T355 I356 R357 I452 L454	E324-L353 HydrophobicContact CB-CD1 4.04Å; E325-L353 HydrophobicContact CB-CD1 4.44Å; E325-L353 HydrophobicContact CG-CD1 4.04Å; M328-L353 HydrophobicContact CB-CD1 3.9Å; M328-L353 HydrophobicContact CB-CD2 4.21Å; M328-L353 HydrophobicContact CB-CG 3.95Å; M328-L353 HydrophobicContact CE-CD2 3.52Å; M328-L353 HydrophobicContact CE-CG 3.95Å; M328-L353 HydrophobicContact CG-CD1 4.45Å; M328-L353 HydrophobicContact CG-CD2 4.43Å; M328-L353 HydrophobicContact CG-CG 4.04Å; A349-L353 WeakPolarHBondContact O-CG 3.41Å; A349-L353 PolarHBondContact O-N 3.46Å; A349-L353 VanDerWaalsContact O-N 3.13Å; R350-L353 WeakPolarHBondContact O-CB 3.32Å; R350-L353 PolarHBondContact O-N 2.88Å; R350-L353 VanDerWaalsContact O-N 3.1Å; L353-T355 VanDerWaalsContact C-N 3.32Å; L353-T355 PolarHBondContact O-N 3.26Å; L353-I356 PolarHBondContact O-N 2.81Å; L353-R357 WeakPolarHBondContact O-CB 3.33Å; L353-R357 VanDerWaalsContact O-CG 3.32Å; L353-R357 WeakPolarHBondContact O-CG 3.34Å; L353-R357 PolarHBondContact O-N 3.27Å; L353-I452 HydrophobicContact CD2-CD1 4.42Å; L353-I452 HydrophobicContact CD2-CG2 3.74Å; L353-L454 HydrophobicContact CD2-CD2 4.16Å
354	E	93.6	Very high	94.2	Very high	103 Å²	103	37.3 Å²	37.3	48%	0.481	22%	0.218	S	C	.	.	H	α-helix	trans	-60.4	-41.7	176.8	-74.3	176.7	172.6	0	0	111.7	R350 S351 I356 R357 A358	R350-E354 HydrophobicContact CG-CG 4.3Å; R350-E354 WeakPolarHBondContact O-CG 3.31Å; R350-E354 PolarHBondContact O-N 3.49Å; S351-E354 PolarHBondContact O-N 3.3Å; E354-I356 VanDerWaalsContact C-N 3.34Å; E354-I356 PolarHBondContact O-N 2.95Å; E354-R357 PolarHBondContact O-N 2.88Å; E354-A358 VanDerWaalsContact O-CB 3.29Å; E354-A358 WeakPolarHBondContact O-CB 3.43Å; E354-A358 PolarHBondContact O-N 2.6Å
355	T	96.3	Very high	94.1	Very high	52 Å²	52	36.2 Å²	36.2	32%	0.319	21%	0.206	S	C	.	.	H	α-helix	trans	-61.1	-44.3	176.2	-61.1	0	0	0	0	111.2	S351 S352 L353 A358 F359 M410 V413	S351-T355 WeakPolarHBondContact O-CB 3.44Å; S351-T355 PolarHBondContact O-N 3.02Å; S351-T355 PolarHBondContact O-OG1 3.24Å; S352-T355 PolarHBondContact O-N 3.49Å; L353-T355 VanDerWaalsContact C-N 3.32Å; L353-T355 PolarHBondContact O-N 3.26Å; T355-A358 PolarHBondContact O-N 2.88Å; T355-F359 PolarHBondContact O-N 3.24Å; T355-M410 HydrophobicContact CG2-CE 3.72Å; T355-V413 HydrophobicContact CG2-CG1 4.09Å
356	I	97.3	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-45.3	177	-62.2	163.5	0	0	0	110.8	M328 S352 L353 E354 A358 F359 I360 L409 M410 V413 I443 L447 L454	M328-I356 HydrophobicContact CE-CD1 3.84Å; S352-I356 WeakPolarHBondContact O-CG1 3.47Å; S352-I356 PolarHBondContact O-N 3.28Å; S352-I356 VanDerWaalsContact O-N 3.12Å; L353-I356 PolarHBondContact O-N 2.81Å; E354-I356 VanDerWaalsContact C-N 3.34Å; E354-I356 PolarHBondContact O-N 2.95Å; I356-A358 PolarHBondContact O-N 3.01Å; I356-F359 PolarHBondContact O-N 2.9Å; I356-I360 HydrophobicContact CG2-CD1 3.88Å; I356-I360 HydrophobicContact CG2-CG1 4.4Å; I356-I360 WeakPolarHBondContact O-CG1 3.49Å; I356-I360 PolarHBondContact O-N 3.18Å; I356-L409 HydrophobicContact CD1-CD2 4.31Å; I356-M410 HydrophobicContact CD1-SD 3.84Å; I356-M410 HydrophobicContact CG1-SD 3.65Å; I356-V413 HydrophobicContact CG1-CG2 4.28Å; I356-I443 HydrophobicContact CG2-CG2 3.65Å; I356-L447 HydrophobicContact CD1-CD2 4.47Å; I356-L447 HydrophobicContact CG2-CD1 3.98Å; I356-L454 HydrophobicContact CB-CD1 4.49Å; I356-L454 HydrophobicContact CG2-CD1 3.79Å
357	R	94.4	Very high	94	Very high	72 Å²	72	38.8 Å²	38.8	27%	0.272	22%	0.216	S	C	.	.	H	α-helix	trans	-59.6	-44.5	177.1	-73.6	175.2	-176.2	138.9	0.2	111.7	L353 E354 I360 S361 L454	L353-R357 WeakPolarHBondContact O-CB 3.33Å; L353-R357 VanDerWaalsContact O-CG 3.32Å; L353-R357 WeakPolarHBondContact O-CG 3.34Å; L353-R357 PolarHBondContact O-N 3.27Å; E354-R357 PolarHBondContact O-N 2.88Å; R357-I360 PolarHBondContact O-N 3.48Å; R357-S361 WeakPolarHBondContact O-CB 3.47Å; R357-S361 PolarHBondContact O-N 3.23Å; R357-L454 HydrophobicContact CG-CD1 4.16Å; R357-L454 HydrophobicContact CG-CD2 4.06Å
358	A	90.9	Very high	93.8	Very high	54 Å²	54	43 Å²	43	45%	0.446	23%	0.227	S	C	.	.	H	α-helix	trans	-62.1	-43.6	178.3	0	0	0	0	0	111.5	E354 T355 I356 S361 A362	E354-A358 VanDerWaalsContact O-CB 3.29Å; E354-A358 WeakPolarHBondContact O-CB 3.43Å; E354-A358 PolarHBondContact O-N 2.6Å; T355-A358 PolarHBondContact O-N 2.88Å; I356-A358 PolarHBondContact O-N 3.01Å; A358-S361 PolarHBondContact O-N 3.16Å; A358-A362 WeakPolarHBondContact O-CB 3.29Å; A358-A362 PolarHBondContact O-N 2.96Å
359	F	96.4	Very high	93.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-49	174.1	169.1	-103.8	0	0	0	112.1	T355 I356 S361 A362 A363 V413 N417 L420 F436 M439 V440 I443	T355-F359 PolarHBondContact O-N 3.24Å; I356-F359 PolarHBondContact O-N 2.9Å; F359-S361 VanDerWaalsContact C-N 3.28Å; F359-S361 PolarHBondContact O-N 3.07Å; F359-A362 PolarHBondContact O-N 3.21Å; F359-A363 HydrophobicContact CE2-CB 4.41Å; F359-A363 HydrophobicContact CZ-CB 4.26Å; F359-A363 VanDerWaalsContact O-CB 3.3Å; F359-A363 WeakPolarHBondContact O-CB 3.29Å; F359-A363 PolarHBondContact O-N 3.02Å; F359-V413 HydrophobicContact CB-CG1 3.64Å; F359-V413 HydrophobicContact CD1-CG1 4.34Å; F359-V413 HydrophobicContact CD1-CG2 4Å; F359-V413 HydrophobicContact CG-CB 4.46Å; F359-V413 HydrophobicContact CG-CG1 3.9Å; F359-V413 HydrophobicContact CG-CG2 4.4Å; F359-N417 WeakPolarHBondContact CD2-OD1 3.41Å; F359-L420 HydrophobicContact CD2-CD1 3.9Å; F359-L420 HydrophobicContact CE2-CD1 3.66Å; F359-F436 HydrophobicContact CE2-CD1 4.19Å; F359-F436 HydrophobicContact CE2-CE1 4.13Å; F359-F436 HydrophobicContact CZ-CD1 4.13Å; F359-F436 HydrophobicContact CZ-CE1 4.43Å; F359-M439 HydrophobicContact CE1-CE 4.46Å; F359-M439 HydrophobicContact CE2-CE 4.34Å; F359-M439 HydrophobicContact CZ-CB 4.38Å; F359-M439 HydrophobicContact CZ-CE 3.68Å; F359-M439 HydrophobicContact CZ-SD 4.44Å; F359-V440 HydrophobicContact CE1-CG2 4.39Å; F359-I443 HydrophobicContact CD1-CD1 3.82Å; F359-I443 HydrophobicContact CE1-CD1 3.43Å; F359-I443 VanDerWaalsContact CE1-CD1 3.43Å
360	I	95.6	Very high	93	Very high	10 Å²	10	40.8 Å²	40.8	5%	0.051	22%	0.222	C	C	.	.	H	α-helix	trans	-57.1	-44.8	178.2	-70.8	171.2	0	0	0	110.4	I356 R357 A363 Q364 V440 I443 R444 L454	I356-I360 HydrophobicContact CG2-CD1 3.88Å; I356-I360 HydrophobicContact CG2-CG1 4.4Å; I356-I360 WeakPolarHBondContact O-CG1 3.49Å; I356-I360 PolarHBondContact O-N 3.18Å; R357-I360 PolarHBondContact O-N 3.48Å; I360-A363 PolarHBondContact O-N 3.29Å; I360-Q364 HydrophobicContact CG2-CG 4.44Å; I360-Q364 WeakPolarHBondContact O-CB 3.43Å; I360-Q364 VanDerWaalsContact O-CG 3.24Å; I360-Q364 WeakPolarHBondContact O-CG 3.47Å; I360-Q364 PolarHBondContact O-N 2.8Å; I360-V440 HydrophobicContact CG1-CG1 4.43Å; I360-V440 HydrophobicContact CG1-CG2 4.43Å; I360-V440 HydrophobicContact CG2-CG1 4.03Å; I360-I443 HydrophobicContact CD1-CG2 4.22Å; I360-R444 HydrophobicContact CD1-CG 4.41Å; I360-L454 HydrophobicContact CD1-CD1 3.79Å
361	S	90.3	Very high	92.5	Very high	34 Å²	34	38.7 Å²	38.7	24%	0.238	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-46.1	177.8	-169.8	0	0	0	0	112	R357 A358 F359 Q364 A365	R357-S361 WeakPolarHBondContact O-CB 3.47Å; R357-S361 PolarHBondContact O-N 3.23Å; A358-S361 PolarHBondContact O-N 3.16Å; F359-S361 VanDerWaalsContact C-N 3.28Å; F359-S361 PolarHBondContact O-N 3.07Å; S361-Q364 PolarHBondContact O-N 3.35Å; S361-A365 PolarHBondContact O-N 2.95Å
362	A	90	Very high	92.1	Very high	16 Å²	16	38.2 Å²	38.2	13%	0.132	21%	0.205	C	C	.	.	H	α-helix	trans	-64	-42.8	177.8	0	0	0	0	0	112.3	A358 F359 A365 Y366 L371 L420	A358-A362 WeakPolarHBondContact O-CB 3.29Å; A358-A362 PolarHBondContact O-N 2.96Å; F359-A362 PolarHBondContact O-N 3.21Å; A362-A365 PolarHBondContact O-N 3.3Å; A362-Y366 WeakPolarHBondContact O-CB 3.36Å; A362-Y366 PolarHBondContact O-N 3.33Å; A362-L371 HydrophobicContact CB-CD2 4.33Å; A362-L420 HydrophobicContact CB-CD1 4Å
363	A	94.6	Very high	91.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-42.7	175.3	0	0	0	0	0	111.5	F359 I360 Y366 M367 L420 F436 V440	F359-A363 HydrophobicContact CE2-CB 4.41Å; F359-A363 HydrophobicContact CZ-CB 4.26Å; F359-A363 VanDerWaalsContact O-CB 3.3Å; F359-A363 WeakPolarHBondContact O-CB 3.29Å; F359-A363 PolarHBondContact O-N 3.02Å; I360-A363 PolarHBondContact O-N 3.29Å; A363-Y366 PolarHBondContact O-N 3.16Å; A363-M367 WeakPolarHBondContact O-CG 3.39Å; A363-M367 PolarHBondContact O-N 2.91Å; A363-L420 HydrophobicContact CB-CD1 4.12Å; A363-F436 HydrophobicContact CB-CB 4.17Å; A363-F436 HydrophobicContact CB-CD1 3.96Å; A363-F436 HydrophobicContact CB-CG 4.4Å; A363-V440 HydrophobicContact CB-CG2 3.57Å
364	Q	92.6	Very high	91.1	Very high	45 Å²	45	40.4 Å²	40.4	21%	0.21	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-45.2	174.3	-75.1	-179.6	-42.1	0	0	112.5	I360 S361 Y366 M367 K368	I360-Q364 HydrophobicContact CG2-CG 4.44Å; I360-Q364 WeakPolarHBondContact O-CB 3.43Å; I360-Q364 VanDerWaalsContact O-CG 3.24Å; I360-Q364 WeakPolarHBondContact O-CG 3.47Å; I360-Q364 PolarHBondContact O-N 2.8Å; S361-Q364 PolarHBondContact O-N 3.35Å; Q364-Y366 VanDerWaalsContact C-N 3.29Å; Q364-Y366 PolarHBondContact O-N 2.78Å; Q364-M367 HydrophobicContact CG-CE 4.17Å; Q364-M367 PolarHBondContact O-N 3.23Å; Q364-K368 WeakPolarHBondContact O-CB 3.47Å; Q364-K368 WeakPolarHBondContact O-CG 3.05Å; Q364-K368 PolarHBondContact O-N 3.34Å
365	A	88.3	Confident	90.6	Very high	11 Å²	11	41.1 Å²	41.1	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-39.8	175.1	0	0	0	0	0	111.4	S361 A362 K368 G369 Q370 L371	S361-A365 PolarHBondContact O-N 2.95Å; A362-A365 PolarHBondContact O-N 3.3Å; A365-K368 PolarHBondContact O-N 2.73Å; A365-G369 PolarHBondContact O-N 3.06Å; A365-Q370 HydrophobicContact CB-CB 4.24Å; A365-Q370 PolarHBondContact O-N 2.99Å; A365-L371 HydrophobicContact CB-CB 3.94Å; A365-L371 PolarHBondContact O-N 3.36Å; A365-L371 VanDerWaalsContact O-N 3.11Å
366	Y	92.6	Very high	90.2	Very high	9 Å²	9	40 Å²	40	4%	0.035	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-42.2	175	177.9	-95.4	0	0	0	112.1	A362 A363 Q364 K368 G369 C373 M376 L420 R431 S432 F436	A362-Y366 WeakPolarHBondContact O-CB 3.36Å; A362-Y366 PolarHBondContact O-N 3.33Å; A363-Y366 PolarHBondContact O-N 3.16Å; Q364-Y366 VanDerWaalsContact C-N 3.29Å; Q364-Y366 PolarHBondContact O-N 2.78Å; Y366-K368 VanDerWaalsContact C-N 3.35Å; Y366-K368 PolarHBondContact O-N 3.25Å; Y366-G369 PolarHBondContact O-N 3.36Å; Y366-C373 HydrophobicContact CD2-CB 4.28Å; Y366-C373 HydrophobicContact CE2-CB 4.09Å; Y366-M376 HydrophobicContact CD2-CE 4.12Å; Y366-M376 HydrophobicContact CE1-CE 4.38Å; Y366-M376 HydrophobicContact CE1-SD 3.89Å; Y366-M376 HydrophobicContact CE2-CE 3.83Å; Y366-M376 HydrophobicContact CE2-SD 3.71Å; Y366-M376 PolarHBondContact OH-SD 3.26Å; Y366-L420 VanDerWaalsContact CB-CD2 3.49Å; Y366-L420 HydrophobicContact CD1-CD2 4.34Å; Y366-L420 HydrophobicContact CD2-CD2 4.08Å; Y366-L420 HydrophobicContact CG-CD2 3.71Å; Y366-R431 PolarHBondContact O-NH2 3.41Å; Y366-S432 PolarHBondContact OH-N 3.16Å; Y366-F436 AromaticContact CD1-CD2 3.62Å; Y366-F436 HydrophobicContact CD1-CD2 3.62Å; Y366-F436 HydrophobicContact CD1-CE2 4.05Å; Y366-F436 HydrophobicContact CD1-CG 4.28Å; Y366-F436 AromaticContact CE1-CD2 3.69Å; Y366-F436 HydrophobicContact CE1-CD2 3.69Å; Y366-F436 AromaticContact CE1-CE2 3.92Å; Y366-F436 HydrophobicContact CE1-CE2 3.92Å
367	M	92.6	Very high	89.9	Confident	65 Å²	65	45.8 Å²	45.8	32%	0.32	25%	0.251	S	S	.	.	H	α-helix	trans	-65.4	-36.8	176.7	-72.7	-174.6	-80.1	0	0	112.8	A363 Q364 G369 P433 F436 G437 V440	A363-M367 WeakPolarHBondContact O-CG 3.39Å; A363-M367 PolarHBondContact O-N 2.91Å; Q364-M367 HydrophobicContact CG-CE 4.17Å; Q364-M367 PolarHBondContact O-N 3.23Å; M367-G369 PolarHBondContact O-N 3.11Å; M367-P433 HydrophobicContact CB-CB 4.26Å; M367-P433 HydrophobicContact CG-CB 3.91Å; M367-P433 WeakPolarHBondContact CG-O 3.24Å; M367-F436 HydrophobicContact CG-CB 4.18Å; M367-F436 HydrophobicContact SD-CB 4.39Å; M367-G437 WeakPolarHBondContact SD-CA 3.32Å; M367-G437 PolarHBondContact SD-N 3.12Å; M367-V440 HydrophobicContact CE-CG2 4.28Å
368	K	89.6	Confident	89.9	Confident	151 Å²	151	45.4 Å²	45.4	66%	0.657	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-6.7	178.4	-71.8	179.1	178.8	-174.9	0	114.6	Q364 A365 Y366 Q370	Q364-K368 WeakPolarHBondContact O-CB 3.47Å; Q364-K368 WeakPolarHBondContact O-CG 3.05Å; Q364-K368 PolarHBondContact O-N 3.34Å; A365-K368 PolarHBondContact O-N 2.73Å; Y366-K368 VanDerWaalsContact C-N 3.35Å; Y366-K368 PolarHBondContact O-N 3.25Å; K368-Q370 VanDerWaalsContact C-N 3.33Å; K368-Q370 HydrophobicContact CB-CG 4.09Å
369	G	87.8	Confident	90.1	Very high	24 Å²	24	49.6 Å²	49.6	25%	0.247	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	5	-176.7	0	0	0	0	0	116.8	A365 Y366 M367 R431	A365-G369 PolarHBondContact O-N 3.06Å; Y366-G369 PolarHBondContact O-N 3.36Å; M367-G369 PolarHBondContact O-N 3.11Å; G369-R431 VanDerWaalsContact CA-CZ 3.5Å
370	Q	85.6	Confident	90.1	Very high	72 Å²	72	51.7 Å²	51.7	34%	0.336	28%	0.278	S	S	.	.			trans	-82.4	-16.7	-179.4	-61.6	169.9	-37.8	0	0	112.8	A365 K368	A365-Q370 HydrophobicContact CB-CB 4.24Å; A365-Q370 PolarHBondContact O-N 2.99Å; K368-Q370 VanDerWaalsContact C-N 3.33Å; K368-Q370 HydrophobicContact CB-CG 4.09Å
371	L	85.7	Confident	90.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.276	C	S	.	.			trans	-116.6	124.5	174.6	176.4	54.7	0	0	0	110.5	A362 A365 L420 P422 R431 R528	A362-L371 HydrophobicContact CB-CD2 4.33Å; A365-L371 HydrophobicContact CB-CB 3.94Å; A365-L371 PolarHBondContact O-N 3.36Å; A365-L371 VanDerWaalsContact O-N 3.11Å; L371-L420 HydrophobicContact CD2-CD2 4.11Å; L371-P422 HydrophobicContact CD1-CB 3.89Å; L371-P422 HydrophobicContact CD1-CG 4.07Å; L371-R431 PolarHBondContact O-NH2 3.46Å; L371-R528 VanDerWaalsContact CD2-NH1 3.33Å
372	H	86.1	Confident	90.5	Very high	50 Å²	50	54 Å²	54	23%	0.231	28%	0.281	C	S	.	.			trans	-98.5	130.4	173.2	-58.7	99.7	0	0	0	110.1	P422 V423 A426	H372-P422 WeakPolarHBondContact O-CA 3.31Å; H372-V423 HydrophobicContact CB-CG2 4.2Å; H372-V423 PolarHBondContact O-N 2.85Å; H372-A426 HydrophobicContact CB-CB 4.29Å; H372-A426 VanDerWaalsContact CD2-CB 3.4Å; H372-A426 WeakPolarHBondContact CD2-CB 3.36Å
373	C	86.8	Confident	90.9	Very high	22 Å²	22	58 Å²	58	15%	0.149	30%	0.297	C	S	.	.			trans	-133	159.2	-179.8	-65.2	0	0	0	0	109.4	Y366 M376 Q421	Y366-C373 HydrophobicContact CD2-CB 4.28Å; Y366-C373 HydrophobicContact CE2-CB 4.09Å; C373-M376 HydrophobicContact CB-CE 3.91Å; C373-Q421 WeakPolarHBondContact CA-O 3.44Å; C373-Q421 PolarHBondContact SG-O 3.42Å; C373-Q421 VanDerWaalsContact SG-O 3.35Å
374	P	85.6	Confident	91.1	Very high	57 Å²	57	61 Å²	61	37%	0.37	31%	0.308	S	S	.	.	S	Bend	trans	-57.3	167.1	170.2	-20.2	31.9	0	0	0	112.1	M376 Q421 V423	P374-M376 WeakPolarHBondContact O-CG 3.32Å; P374-M376 PolarHBondContact O-N 2.71Å; P374-Q421 VanDerWaalsContact CD-O 3.24Å; P374-Q421 WeakPolarHBondContact CD-O 3.2Å; P374-V423 HydrophobicContact CG-CG1 3.77Å
375	P	84.9	Confident	91.4	Very high	119 Å²	119	59 Å²	59	77%	0.773	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-50.1	127.7	168.5	-25.8	34.8	0	0	0	110.9
376	M	87.7	Confident	91.9	Very high	28 Å²	28	62.8 Å²	62.8	14%	0.138	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-99.6	151.2	-173.4	-68	169.9	143.7	0	0	111.3	Y366 C373 P374 E378 Q419 L420 F436	Y366-M376 HydrophobicContact CD2-CE 4.12Å; Y366-M376 HydrophobicContact CE1-CE 4.38Å; Y366-M376 HydrophobicContact CE1-SD 3.89Å; Y366-M376 HydrophobicContact CE2-CE 3.83Å; Y366-M376 HydrophobicContact CE2-SD 3.71Å; Y366-M376 PolarHBondContact OH-SD 3.26Å; C373-M376 HydrophobicContact CB-CE 3.91Å; P374-M376 WeakPolarHBondContact O-CG 3.32Å; P374-M376 PolarHBondContact O-N 2.71Å; M376-E378 PolarHBondContact O-N 2.84Å; M376-E378 VanDerWaalsContact O-N 3.13Å; M376-Q419 HydrophobicContact CE-CB 3.85Å; M376-Q419 WeakPolarHBondContact CE-O 3.31Å; M376-Q419 HydrophobicContact CG-CB 4.17Å; M376-L420 HydrophobicContact CE-CD2 3.68Å; M376-L420 HydrophobicContact CE-CG 4.11Å; M376-F436 HydrophobicContact CE-CE2 3.42Å; M376-F436 VanDerWaalsContact CE-CE2 3.42Å; M376-F436 HydrophobicContact CE-CZ 3.38Å; M376-F436 HydrophobicContact SD-CD2 4.47Å; M376-F436 HydrophobicContact SD-CE2 3.41Å; M376-F436 WeakPolarHBondContact SD-CE2 3.31Å; M376-F436 HydrophobicContact SD-CZ 3.92Å
377	Q	90.7	Very high	92.2	Very high	122 Å²	122	65.3 Å²	65.3	57%	0.57	33%	0.333	S	S	*	.			trans	-84.1	80.9	171.8	-64.5	178.8	44.4	0	0	109.6	L380 L381	Q377-L380 HydrophobicContact CB-CB 3.88Å; Q377-L380 HydrophobicContact CB-CD2 4.31Å; Q377-L380 WeakPolarHBondContact O-CB 3.14Å; Q377-L380 PolarHBondContact O-N 3.17Å; Q377-L381 PolarHBondContact O-N 3.4Å
378	E	93.7	Very high	92.5	Very high	64 Å²	64	62.4 Å²	62.4	30%	0.299	32%	0.32	S	S	.	.	H	α-helix	trans	-59.3	-47	-176.6	178.5	167.7	-174.6	0	0	112.8	M376 L380 L381 W382 S432 V435	M376-E378 PolarHBondContact O-N 2.84Å; M376-E378 VanDerWaalsContact O-N 3.13Å; E378-L380 VanDerWaalsContact C-N 3.25Å; E378-L380 PolarHBondContact O-N 3.23Å; E378-L381 WeakPolarHBondContact O-CB 3.49Å; E378-L381 PolarHBondContact O-N 2.86Å; E378-W382 PolarHBondContact O-N 3.14Å; E378-W382 PolarHBondContact OE1-NE1 3.29Å; E378-S432 WeakPolarHBondContact OE2-CB 3.34Å; E378-S432 PolarHBondContact OE2-OG 3.03Å; E378-V435 HydrophobicContact CG-CB 4.43Å; E378-V435 HydrophobicContact CG-CG1 4.3Å
379	D	95.5	Very high	92.9	Very high	142 Å²	142	59.9 Å²	59.9	76%	0.759	31%	0.309	S	S	*	.	H	α-helix	trans	-58	-39.3	179.8	-65.5	-31	0	0	0	112.2	W382 Q383	D379-W382 PolarHBondContact O-N 3.42Å; D379-Q383 WeakPolarHBondContact O-CB 3.18Å; D379-Q383 PolarHBondContact O-N 3.29Å
380	L	95.7	Very high	93.4	Very high	44 Å²	44	62 Å²	62	23%	0.23	32%	0.32	C	S	.	.	H	α-helix	trans	-62.5	-43.6	175.3	178.6	64.1	0	0	0	110.9	Q377 E378 Q383 R384	Q377-L380 HydrophobicContact CB-CB 3.88Å; Q377-L380 HydrophobicContact CB-CD2 4.31Å; Q377-L380 WeakPolarHBondContact O-CB 3.14Å; Q377-L380 PolarHBondContact O-N 3.17Å; E378-L380 VanDerWaalsContact C-N 3.25Å; E378-L380 PolarHBondContact O-N 3.23Å; L380-Q383 WeakPolarHBondContact O-CB 3.39Å; L380-Q383 PolarHBondContact O-N 2.84Å; L380-R384 HydrophobicContact CD1-CG 4.38Å; L380-R384 HydrophobicContact CG-CG 4.47Å; L380-R384 VanDerWaalsContact O-CG 3.29Å; L380-R384 WeakPolarHBondContact O-CG 3.24Å; L380-R384 PolarHBondContact O-N 3.31Å
381	L	97.3	Very high	94.1	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-65.8	-40	179.6	-70.2	177.1	0	0	0	112.2	Q377 E378 Q383 R384 L385 Q419 V435 F436 M439	Q377-L381 PolarHBondContact O-N 3.4Å; E378-L381 WeakPolarHBondContact O-CB 3.49Å; E378-L381 PolarHBondContact O-N 2.86Å; L381-Q383 VanDerWaalsContact C-N 3.34Å; L381-R384 PolarHBondContact O-N 2.96Å; L381-L385 WeakPolarHBondContact O-CB 3.47Å; L381-L385 PolarHBondContact O-N 3.17Å; L381-Q419 HydrophobicContact CD1-CB 4.23Å; L381-Q419 HydrophobicContact CD1-CG 4.03Å; L381-Q419 HydrophobicContact CD2-CG 3.89Å; L381-Q419 HydrophobicContact CG-CG 4.09Å; L381-V435 HydrophobicContact CB-CB 4.46Å; L381-V435 HydrophobicContact CB-CG1 4.13Å; L381-V435 HydrophobicContact CB-CG2 3.51Å; L381-V435 HydrophobicContact CD1-CG1 3.75Å; L381-F436 HydrophobicContact CD1-CE1 4.27Å; L381-F436 HydrophobicContact CD1-CE2 3.75Å; L381-F436 HydrophobicContact CD1-CZ 3.54Å; L381-M439 HydrophobicContact CB-SD 4.42Å; L381-M439 HydrophobicContact CD2-CE 4.4Å; L381-M439 HydrophobicContact CD2-SD 4.24Å
382	W	98.3	Very high	94.7	Very high	91 Å²	91	62.7 Å²	62.7	35%	0.345	33%	0.326	S	S	.	.	H	α-helix	trans	-62.5	-41.4	173.1	-76.1	118.6	0	0	0	112.2	E378 D379 L385 T386 A434 V435 A438	E378-W382 PolarHBondContact O-N 3.14Å; E378-W382 PolarHBondContact OE1-NE1 3.29Å; D379-W382 PolarHBondContact O-N 3.42Å; W382-L385 HydrophobicContact CE3-CD2 4.03Å; W382-L385 HydrophobicContact CZ3-CD2 3.9Å; W382-L385 PolarHBondContact O-N 3.45Å; W382-T386 PolarHBondContact O-N 3.24Å; W382-T386 PolarHBondContact O-OG1 3.04Å; W382-A434 HydrophobicContact CZ2-CB 4.36Å; W382-V435 HydrophobicContact CD2-CB 4.11Å; W382-V435 HydrophobicContact CD2-CG2 3.62Å; W382-V435 HydrophobicContact CE3-CG2 4.06Å; W382-V435 HydrophobicContact CG-CG2 3.87Å; W382-V435 HydrophobicContact CH2-CB 4.45Å; W382-V435 HydrophobicContact CZ2-CB 3.8Å; W382-V435 HydrophobicContact CZ2-CG2 4.17Å; W382-A438 HydrophobicContact CH2-CB 3.56Å; W382-A438 HydrophobicContact CZ3-CB 3.53Å
383	Q	98.4	Very high	95.3	Very high	101 Å²	101	64.4 Å²	64.4	47%	0.472	34%	0.336	S	S	.	.	H	α-helix	trans	-60.9	-48.8	173.3	-177.1	-173.8	-16.9	0	0	111	D379 L380 L381 L385 T386 E387	D379-Q383 WeakPolarHBondContact O-CB 3.18Å; D379-Q383 PolarHBondContact O-N 3.29Å; L380-Q383 WeakPolarHBondContact O-CB 3.39Å; L380-Q383 PolarHBondContact O-N 2.84Å; L381-Q383 VanDerWaalsContact C-N 3.34Å; Q383-L385 VanDerWaalsContact C-N 3.31Å; Q383-L385 PolarHBondContact O-N 3.33Å; Q383-T386 PolarHBondContact O-N 3.19Å; Q383-T386 VanDerWaalsContact O-N 3.15Å; Q383-E387 HydrophobicContact CG-CG 4.48Å; Q383-E387 PolarHBondContact NE2-OE1 2.93Å; Q383-E387 WeakPolarHBondContact O-CG 3.49Å; Q383-E387 PolarHBondContact O-N 3.38Å
384	R	98.4	Very high	95.8	Very high	62 Å²	62	67 Å²	67	23%	0.234	35%	0.352	C	S	.	.	H	α-helix	trans	-61.7	-37.6	178.8	-66.4	-48.3	178.5	-165.4	-4.9	112.6	L380 L381 E387 A388 L412 H415	L380-R384 HydrophobicContact CD1-CG 4.38Å; L380-R384 HydrophobicContact CG-CG 4.47Å; L380-R384 VanDerWaalsContact O-CG 3.29Å; L380-R384 WeakPolarHBondContact O-CG 3.24Å; L380-R384 PolarHBondContact O-N 3.31Å; L381-R384 PolarHBondContact O-N 2.96Å; R384-E387 WeakPolarHBondContact CD-OE2 3.23Å; R384-E387 IonicContact CZ-OE2 3.2Å; R384-E387 IonicContact NH1-OE1 2.83Å; R384-E387 PolarHBondContact NH1-OE1 3.1Å; R384-E387 IonicContact NH1-OE2 2.94Å; R384-E387 PolarHBondContact NH1-OE2 3.47Å; R384-A388 VanDerWaalsContact O-CB 3.31Å; R384-A388 WeakPolarHBondContact O-CB 3.1Å; R384-A388 PolarHBondContact O-N 3.29Å; R384-L412 HydrophobicContact CB-CD1 4.14Å; R384-H415 HydrophobicContact CG-CB 4.12Å
385	L	98.7	Very high	96.5	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-63.3	-44	174.5	178.2	58.7	0	0	0	111.5	L381 W382 Q383 A388 K389 L412 A438 M439 Y442	L381-L385 WeakPolarHBondContact O-CB 3.47Å; L381-L385 PolarHBondContact O-N 3.17Å; W382-L385 HydrophobicContact CE3-CD2 4.03Å; W382-L385 HydrophobicContact CZ3-CD2 3.9Å; W382-L385 PolarHBondContact O-N 3.45Å; Q383-L385 VanDerWaalsContact C-N 3.31Å; Q383-L385 PolarHBondContact O-N 3.33Å; L385-A388 PolarHBondContact O-N 3.19Å; L385-K389 WeakPolarHBondContact O-CG 3.4Å; L385-K389 PolarHBondContact O-N 3Å; L385-L412 HydrophobicContact CB-CD1 4.27Å; L385-L412 HydrophobicContact CD1-CD2 3.82Å; L385-A438 HydrophobicContact CD2-CB 3.7Å; L385-M439 HydrophobicContact CB-CG 4.45Å; L385-M439 HydrophobicContact CD1-CG 4.34Å; L385-M439 HydrophobicContact CD2-CG 4.34Å; L385-Y442 HydrophobicContact CD1-CD1 3.64Å; L385-Y442 HydrophobicContact CD1-CG 3.98Å
386	T	98.6	Very high	97.1	Very high	91 Å²	91	58.7 Å²	58.7	56%	0.558	30%	0.298	S	S	*	.	H	α-helix	trans	-64.3	-44.9	178	-57.1	0	0	0	0	111.6	W382 Q383 A388 K389 S390	W382-T386 PolarHBondContact O-N 3.24Å; W382-T386 PolarHBondContact O-OG1 3.04Å; Q383-T386 PolarHBondContact O-N 3.19Å; Q383-T386 VanDerWaalsContact O-N 3.15Å; T386-A388 PolarHBondContact O-N 3.46Å; T386-K389 PolarHBondContact O-N 3.18Å; T386-S390 PolarHBondContact O-N 3.28Å; T386-S390 VanDerWaalsContact O-N 3.1Å
387	E	98.6	Very high	97.7	Very high	62 Å²	62	58.3 Å²	58.3	29%	0.29	30%	0.299	S	S	.	.	H	α-helix	trans	-59.2	-45.6	174.2	-72.5	173.1	-174.8	0	0	111.4	Q383 R384 K389 S390 N391	Q383-E387 HydrophobicContact CG-CG 4.48Å; Q383-E387 PolarHBondContact NE2-OE1 2.93Å; Q383-E387 WeakPolarHBondContact O-CG 3.49Å; Q383-E387 PolarHBondContact O-N 3.38Å; R384-E387 WeakPolarHBondContact CD-OE2 3.23Å; R384-E387 IonicContact CZ-OE2 3.2Å; R384-E387 IonicContact NH1-OE1 2.83Å; R384-E387 PolarHBondContact NH1-OE1 3.1Å; R384-E387 IonicContact NH1-OE2 2.94Å; R384-E387 PolarHBondContact NH1-OE2 3.47Å; E387-K389 PolarHBondContact O-N 2.76Å; E387-S390 PolarHBondContact O-N 3.43Å; E387-N391 VanDerWaalsContact O-CB 3.29Å; E387-N391 WeakPolarHBondContact O-CB 3.05Å; E387-N391 PolarHBondContact O-N 3.27Å; E387-N391 PolarHBondContact O-ND2 3.48Å; E387-N391 VanDerWaalsContact O-ND2 3.1Å
388	A	98.8	Very high	98	Very high	5 Å²	5	54.6 Å²	54.6	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-45	178.5	0	0	0	0	0	111.8	R384 L385 T386 S390 N391 I392 L412	R384-A388 VanDerWaalsContact O-CB 3.31Å; R384-A388 WeakPolarHBondContact O-CB 3.1Å; R384-A388 PolarHBondContact O-N 3.29Å; L385-A388 PolarHBondContact O-N 3.19Å; T386-A388 PolarHBondContact O-N 3.46Å; A388-S390 PolarHBondContact O-N 3.03Å; A388-N391 PolarHBondContact O-N 3.37Å; A388-I392 WeakPolarHBondContact O-CB 3.43Å; A388-I392 VanDerWaalsContact O-CG1 3.27Å; A388-I392 WeakPolarHBondContact O-CG1 3.29Å; A388-I392 PolarHBondContact O-N 2.94Å; A388-L412 HydrophobicContact CB-CB 4Å; A388-L412 HydrophobicContact CB-CD1 4.24Å; A388-L412 HydrophobicContact CB-CD2 4Å; A388-L412 HydrophobicContact CB-CG 4.31Å
389	K	98.8	Very high	98.2	Very high	98 Å²	98	51.6 Å²	51.6	43%	0.426	27%	0.269	S	S	.	.	H	α-helix	trans	-54.9	-51.4	175.5	-76.6	176.6	177	-173.1	0	112.2	L385 T386 E387 L393 Y442	L385-K389 WeakPolarHBondContact O-CG 3.4Å; L385-K389 PolarHBondContact O-N 3Å; T386-K389 PolarHBondContact O-N 3.18Å; E387-K389 PolarHBondContact O-N 2.76Å; K389-L393 WeakPolarHBondContact O-CB 3.3Å; K389-L393 PolarHBondContact O-N 3.01Å; K389-L393 VanDerWaalsContact O-N 3.1Å; K389-Y442 WeakPolarHBondContact CA-OH 3.5Å; K389-Y442 HydrophobicContact CD-CD2 4.42Å; K389-Y442 HydrophobicContact CD-CE2 4.41Å; K389-Y442 HydrophobicContact CG-CD1 4.12Å; K389-Y442 HydrophobicContact CG-CD2 3.96Å; K389-Y442 HydrophobicContact CG-CE1 3.74Å; K389-Y442 HydrophobicContact CG-CE2 3.59Å; K389-Y442 HydrophobicContact CG-CG 4.23Å; K389-Y442 VanDerWaalsContact CG-CZ 3.49Å
390	S	98.6	Very high	98.4	Very high	69 Å²	69	44.9 Å²	44.9	48%	0.483	23%	0.233	S	C	.	.	H	α-helix	trans	-62.8	-45.3	179.3	-173.5	0	0	0	0	111.9	T386 E387 A388 T394	T386-S390 PolarHBondContact O-N 3.28Å; T386-S390 VanDerWaalsContact O-N 3.1Å; E387-S390 PolarHBondContact O-N 3.43Å; A388-S390 PolarHBondContact O-N 3.03Å; S390-T394 VanDerWaalsContact O-CB 3.31Å; S390-T394 WeakPolarHBondContact O-CB 3.46Å; S390-T394 PolarHBondContact O-N 3.41Å; S390-T394 PolarHBondContact O-OG1 3.38Å
391	N	98.8	Very high	98.5	Very high	85 Å²	85	43.5 Å²	43.5	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-67.3	-39.9	-177.2	-71.9	-26.3	0	0	0	112.4	E387 A388 A395 A408	E387-N391 VanDerWaalsContact O-CB 3.29Å; E387-N391 WeakPolarHBondContact O-CB 3.05Å; E387-N391 PolarHBondContact O-N 3.27Å; E387-N391 PolarHBondContact O-ND2 3.48Å; E387-N391 VanDerWaalsContact O-ND2 3.1Å; A388-N391 PolarHBondContact O-N 3.37Å; N391-A395 WeakPolarHBondContact O-CB 3.5Å; N391-A395 PolarHBondContact O-N 3.21Å; N391-A408 HydrophobicContact CB-CB 4Å
392	I	98.8	Very high	98.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-65.9	-49.8	177.1	-71.9	166.8	0	0	0	110.1	A388 T394 A395 L396 A405 A408 L409 Y442 V446	A388-I392 WeakPolarHBondContact O-CB 3.43Å; A388-I392 VanDerWaalsContact O-CG1 3.27Å; A388-I392 WeakPolarHBondContact O-CG1 3.29Å; A388-I392 PolarHBondContact O-N 2.94Å; I392-T394 PolarHBondContact O-N 3.24Å; I392-A395 WeakPolarHBondContact O-CB 3.39Å; I392-A395 PolarHBondContact O-N 3.46Å; I392-A395 VanDerWaalsContact O-N 3.17Å; I392-L396 HydrophobicContact CG2-CD1 3.87Å; I392-L396 HydrophobicContact CG2-CG 4.45Å; I392-L396 WeakPolarHBondContact O-CG 3.25Å; I392-L396 PolarHBondContact O-N 2.81Å; I392-A405 HydrophobicContact CG1-CB 4.47Å; I392-A405 HydrophobicContact CG2-CB 4.23Å; I392-A408 HydrophobicContact CD1-CB 4.45Å; I392-A408 HydrophobicContact CG1-CB 3.79Å; I392-L409 HydrophobicContact CD1-CB 4.21Å; I392-L409 HydrophobicContact CD1-CD1 4.16Å; I392-Y442 HydrophobicContact CD1-CE1 3.86Å; I392-Y442 WeakPolarHBondContact CD1-OH 3.26Å; I392-V446 HydrophobicContact CD1-CG2 4.33Å; I392-V446 HydrophobicContact CG2-CG2 4.45Å
393	L	98.6	Very high	98.6	Very high	85 Å²	85	41.1 Å²	41.1	45%	0.445	22%	0.222	S	C	.	.	H	α-helix	trans	-60.4	-45.9	179.5	-177	64.2	0	0	0	111.6	F95 K389 A395 L396 A397	F95-L393 HydrophobicContact CE1-CD1 4.15Å; F95-L393 HydrophobicContact CE2-CD1 4.41Å; F95-L393 HydrophobicContact CZ-CD1 3.82Å; K389-L393 WeakPolarHBondContact O-CB 3.3Å; K389-L393 PolarHBondContact O-N 3.01Å; K389-L393 VanDerWaalsContact O-N 3.1Å; L393-A395 VanDerWaalsContact C-N 3.3Å; L393-A395 PolarHBondContact O-N 3.31Å; L393-L396 PolarHBondContact O-N 3.07Å; L393-A397 WeakPolarHBondContact O-CB 3.49Å; L393-A397 PolarHBondContact O-N 2.97Å
394	T	98.6	Very high	98.6	Very high	78 Å²	78	41.1 Å²	41.1	48%	0.479	22%	0.218	S	C	.	.	H	α-helix	trans	-62.1	-39	177	-56	0	0	0	0	111.5	S390 I392 D398	S390-T394 VanDerWaalsContact O-CB 3.31Å; S390-T394 WeakPolarHBondContact O-CB 3.46Å; S390-T394 PolarHBondContact O-N 3.41Å; S390-T394 PolarHBondContact O-OG1 3.38Å; I392-T394 PolarHBondContact O-N 3.24Å; T394-D398 WeakPolarHBondContact O-CB 3.47Å; T394-D398 PolarHBondContact O-N 3.32Å; T394-D398 VanDerWaalsContact O-N 3.15Å
395	A	98.8	Very high	98.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-45.6	177.7	0	0	0	0	0	112.3	N391 I392 L393 D398 D401 R404 A405	N391-A395 WeakPolarHBondContact O-CB 3.5Å; N391-A395 PolarHBondContact O-N 3.21Å; I392-A395 WeakPolarHBondContact O-CB 3.39Å; I392-A395 PolarHBondContact O-N 3.46Å; I392-A395 VanDerWaalsContact O-N 3.17Å; L393-A395 VanDerWaalsContact C-N 3.3Å; L393-A395 PolarHBondContact O-N 3.31Å; A395-D398 CarbonylContact O-C 3.5Å; A395-D398 PolarHBondContact O-N 3.28Å; A395-D401 HydrophobicContact CB-CB 4.44Å; A395-D401 WeakPolarHBondContact O-CB 3.32Å; A395-D401 PolarHBondContact O-N 3.5Å; A395-R404 HydrophobicContact CB-CB 3.94Å; A395-R404 HydrophobicContact CB-CG 3.84Å; A395-R404 VanDerWaalsContact CB-NE 3.32Å; A395-A405 HydrophobicContact CB-CB 4.21Å
396	L	98.6	Very high	98.6	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-75.1	-30.6	-177.9	-62.2	177.2	0	0	0	112.6	I90 L94 I392 L393 D398 F400 T402 A405 F450	I90-L396 HydrophobicContact CD1-CD2 3.84Å; I90-L396 HydrophobicContact CG1-CD1 4.35Å; I90-L396 HydrophobicContact CG1-CD2 4.49Å; I90-L396 HydrophobicContact CG2-CB 4.11Å; L94-L396 HydrophobicContact CD1-CD1 3.46Å; L94-L396 VanDerWaalsContact CD1-CD1 3.46Å; I392-L396 HydrophobicContact CG2-CD1 3.87Å; I392-L396 HydrophobicContact CG2-CG 4.45Å; I392-L396 WeakPolarHBondContact O-CG 3.25Å; I392-L396 PolarHBondContact O-N 2.81Å; L393-L396 PolarHBondContact O-N 3.07Å; L396-D398 VanDerWaalsContact C-N 3.29Å; L396-F400 WeakPolarHBondContact O-CA 3.44Å; L396-F400 PolarHBondContact O-N 3.48Å; L396-F400 VanDerWaalsContact O-N 3.16Å; L396-T402 HydrophobicContact CD2-CG2 4.12Å; L396-A405 HydrophobicContact CD1-CB 4.45Å; L396-A405 HydrophobicContact CD2-CB 3.71Å; L396-A405 HydrophobicContact CG-CB 3.96Å; L396-F450 HydrophobicContact CD1-CE1 4.1Å; L396-F450 HydrophobicContact CD1-CZ 4.19Å; L396-F450 HydrophobicContact CD2-CE1 4.11Å; L396-F450 HydrophobicContact CD2-CZ 4.27Å
397	A	98.7	Very high	98.6	Very high	19 Å²	19	38.5 Å²	38.5	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-67.7	-29.6	171.8	0	0	0	0	0	112.6	I39 K40 F95 L393 D399	I39-A397 CarbonylContact C-O 3.59Å; I39-A397 WeakPolarHBondContact CA-O 3.24Å; I39-A397 WeakPolarHBondContact CG2-O 3.08Å; K40-A397 PolarHBondContact N-O 2.9Å; F95-A397 HydrophobicContact CE1-CB 3.92Å; F95-A397 HydrophobicContact CZ-CB 3.72Å; L393-A397 WeakPolarHBondContact O-CB 3.49Å; L393-A397 PolarHBondContact O-N 2.97Å; A397-D399 PolarHBondContact O-N 3.27Å
398	D	98.6	Very high	98.6	Very high	45 Å²	45	36.1 Å²	36.1	24%	0.241	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-92.1	76.8	176.7	176.8	37.6	0	0	0	110.6	K49 T394 A395 L396 F400 R404	K49-D398 VanDerWaalsContact NZ-CG 3.25Å; K49-D398 IonicContact NZ-OD1 3.38Å; K49-D398 PolarHBondContact NZ-OD1 3.14Å; K49-D398 IonicContact NZ-OD2 2.73Å; K49-D398 PolarHBondContact NZ-OD2 3.01Å; T394-D398 WeakPolarHBondContact O-CB 3.47Å; T394-D398 PolarHBondContact O-N 3.32Å; T394-D398 VanDerWaalsContact O-N 3.15Å; A395-D398 CarbonylContact O-C 3.5Å; A395-D398 PolarHBondContact O-N 3.28Å; L396-D398 VanDerWaalsContact C-N 3.29Å; D398-F400 VanDerWaalsContact C-N 3.33Å; D398-F400 PolarHBondContact O-N 3.46Å; D398-R404 IonicContact OD2-CZ 3.02Å; D398-R404 IonicContact OD2-NH1 3.5Å; D398-R404 IonicContact OD2-NH2 3.49Å; D398-R404 PolarHBondContact OD2-NH2 3.29Å
399	D	98.2	Very high	98.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	42.8	169.4	164.9	66.4	0	0	0	112.3	K40 F42 K49 R336 A397 D401	K40-D399 WeakPolarHBondContact O-CA 3.45Å; K40-D399 WeakPolarHBondContact O-CB 3.38Å; K40-D399 PolarHBondContact O-N 3Å; F42-D399 VanDerWaalsContact CB-OD1 3.24Å; F42-D399 WeakPolarHBondContact CB-OD1 3.1Å; F42-D399 PolarHBondContact N-OD1 2.97Å; K49-D399 HydrophobicContact CD-CB 3.96Å; K49-D399 VanDerWaalsContact CE-OD2 3.26Å; K49-D399 WeakPolarHBondContact CE-OD2 3.27Å; K49-D399 HydrophobicContact CG-CB 4.26Å; K49-D399 IonicContact NZ-OD2 3.79Å; R336-D399 IonicContact CZ-OD1 2.91Å; R336-D399 IonicContact CZ-OD2 2.8Å; R336-D399 IonicContact NH1-OD1 3.78Å; R336-D399 PolarHBondContact NH1-OD1 3.3Å; R336-D399 IonicContact NH1-OD2 3.35Å; R336-D399 PolarHBondContact NH1-OD2 3.47Å; R336-D399 IonicContact NH2-OD2 3.71Å; R336-D399 PolarHBondContact NH2-OD2 2.99Å; A397-D399 PolarHBondContact O-N 3.27Å; D399-D401 VanDerWaalsContact C-N 3.29Å; D399-D401 PolarHBondContact O-N 2.87Å
400	F	98.5	Very high	98.6	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.009	19%	0.191	C	C	.	.			trans	50.2	48.5	175	-50.3	-82	0	0	0	111.8	I39 L87 I90 L91 L396 D398 T402	I39-F400 HydrophobicContact CD1-CE1 4.26Å; I39-F400 HydrophobicContact CD1-CZ 4.42Å; I39-F400 HydrophobicContact CG2-CE1 4.48Å; I39-F400 HydrophobicContact CG2-CE2 4.35Å; I39-F400 HydrophobicContact CG2-CZ 4.11Å; L87-F400 HydrophobicContact CB-CD1 4.44Å; L87-F400 HydrophobicContact CB-CE1 4.46Å; L87-F400 HydrophobicContact CD1-CB 3.92Å; L87-F400 HydrophobicContact CD1-CG 4.14Å; L87-F400 HydrophobicContact CD2-CD2 3.77Å; L87-F400 HydrophobicContact CD2-CE2 4.01Å; L87-F400 HydrophobicContact CD2-CG 4.17Å; L87-F400 HydrophobicContact CG-CB 3.98Å; L87-F400 HydrophobicContact CG-CD1 3.88Å; L87-F400 HydrophobicContact CG-CD2 3.74Å; L87-F400 HydrophobicContact CG-CE1 4.25Å; L87-F400 HydrophobicContact CG-CE2 4.11Å; L87-F400 HydrophobicContact CG-CG 3.61Å; L87-F400 HydrophobicContact CG-CZ 4.35Å; I90-F400 HydrophobicContact CB-CD1 4.17Å; I90-F400 HydrophobicContact CB-CE1 4.35Å; I90-F400 HydrophobicContact CD1-CD1 4.07Å; I90-F400 HydrophobicContact CG2-CD1 3.81Å; I90-F400 HydrophobicContact CG2-CE1 3.99Å; L91-F400 HydrophobicContact CD2-CE1 3.93Å; L91-F400 HydrophobicContact CD2-CZ 3.86Å; L91-F400 HydrophobicContact CG-CE1 4.04Å; L91-F400 HydrophobicContact CG-CZ 4.09Å; L396-F400 WeakPolarHBondContact O-CA 3.44Å; L396-F400 PolarHBondContact O-N 3.48Å; L396-F400 VanDerWaalsContact O-N 3.16Å; D398-F400 VanDerWaalsContact C-N 3.33Å; D398-F400 PolarHBondContact O-N 3.46Å; F400-T402 PolarHBondContact O-N 3.31Å
401	D	98.6	Very high	98.6	Very high	14 Å²	14	35.5 Å²	35.5	8%	0.075	19%	0.192	C	C	.	.			trans	-72.2	74.7	-176.4	-159.4	-32.5	0	0	0	111.3	K334 A395 D399 P403 R404 A405	K334-D401 WeakPolarHBondContact CE-OD2 3.34Å; K334-D401 IonicContact NZ-OD2 3.61Å; K334-D401 PolarHBondContact NZ-OD2 2.93Å; A395-D401 HydrophobicContact CB-CB 4.44Å; A395-D401 WeakPolarHBondContact O-CB 3.32Å; A395-D401 PolarHBondContact O-N 3.5Å; D399-D401 VanDerWaalsContact C-N 3.29Å; D399-D401 PolarHBondContact O-N 2.87Å; D401-P403 VanDerWaalsContact C-CD 3.47Å; D401-P403 WeakPolarHBondContact OD1-CD 3.48Å; D401-R404 HydrophobicContact CB-CB 4.25Å; D401-R404 PolarHBondContact O-N 3.08Å; D401-R404 WeakPolarHBondContact OD1-CB 3.4Å; D401-R404 PolarHBondContact OD1-N 2.81Å; D401-R404 IonicContact OD2-NE 2.6Å; D401-R404 IonicContact OD2-NH2 2.77Å; D401-A405 PolarHBondContact O-N 2.63Å
402	T	98.6	Very high	98.6	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-61.1	-37	-179.7	57.5	0	0	0	0	113.3	I86 I90 L331 L396 F400 R404 A405 V406 F450	I86-T402 HydrophobicContact CG2-CG2 4.08Å; I90-T402 HydrophobicContact CD1-CG2 4.25Å; L331-T402 HydrophobicContact CD2-CG2 3.65Å; L331-T402 CarbonylContact O-C 3.05Å; L331-T402 PolarHBondContact O-OG1 3.15Å; L331-T402 VanDerWaalsContact O-OG1 3.08Å; L396-T402 HydrophobicContact CD2-CG2 4.12Å; F400-T402 PolarHBondContact O-N 3.31Å; T402-R404 VanDerWaalsContact C-N 3.35Å; T402-R404 PolarHBondContact O-N 2.97Å; T402-A405 PolarHBondContact O-N 3.25Å; T402-V406 WeakPolarHBondContact O-CG2 3.25Å; T402-V406 PolarHBondContact O-N 3.22Å; T402-F450 HydrophobicContact CG2-CE1 4.46Å
403	P	98.5	Very high	98.6	Very high	36 Å²	36	31.6 Å²	31.6	23%	0.234	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-43.2	175.6	-24	35	0	0	0	112.4	T333 K334 D401 V406 S407	T333-P403 VanDerWaalsContact C-CG 3.43Å; K334-P403 HydrophobicContact CG-CG 4.3Å; D401-P403 VanDerWaalsContact C-CD 3.47Å; D401-P403 WeakPolarHBondContact OD1-CD 3.48Å; P403-V406 PolarHBondContact O-N 3.34Å; P403-S407 WeakPolarHBondContact O-CB 3.3Å; P403-S407 PolarHBondContact O-N 3.3Å
404	R	98.7	Very high	98.6	Very high	102 Å²	102	34.5 Å²	34.5	39%	0.385	18%	0.177	S	C	.	.	H	α-helix	trans	-67	-37.9	177.3	-176.4	172.6	56.3	-174.9	-12.2	111.6	A395 D398 D401 T402 S407 A408	A395-R404 HydrophobicContact CB-CB 3.94Å; A395-R404 HydrophobicContact CB-CG 3.84Å; A395-R404 VanDerWaalsContact CB-NE 3.32Å; D398-R404 IonicContact OD2-CZ 3.02Å; D398-R404 IonicContact OD2-NH1 3.5Å; D398-R404 IonicContact OD2-NH2 3.49Å; D398-R404 PolarHBondContact OD2-NH2 3.29Å; D401-R404 HydrophobicContact CB-CB 4.25Å; D401-R404 PolarHBondContact O-N 3.08Å; D401-R404 WeakPolarHBondContact OD1-CB 3.4Å; D401-R404 PolarHBondContact OD1-N 2.81Å; D401-R404 IonicContact OD2-NE 2.6Å; D401-R404 IonicContact OD2-NH2 2.77Å; T402-R404 VanDerWaalsContact C-N 3.35Å; T402-R404 PolarHBondContact O-N 2.97Å; R404-S407 PolarHBondContact O-N 3.32Å; R404-A408 PolarHBondContact O-N 2.84Å
405	A	98.8	Very high	98.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-47	174.5	0	0	0	0	0	112.1	I392 A395 L396 D401 T402 S407 A408 L409 F450	I392-A405 HydrophobicContact CG1-CB 4.47Å; I392-A405 HydrophobicContact CG2-CB 4.23Å; A395-A405 HydrophobicContact CB-CB 4.21Å; L396-A405 HydrophobicContact CD1-CB 4.45Å; L396-A405 HydrophobicContact CD2-CB 3.71Å; L396-A405 HydrophobicContact CG-CB 3.96Å; D401-A405 PolarHBondContact O-N 2.63Å; T402-A405 PolarHBondContact O-N 3.25Å; A405-S407 VanDerWaalsContact C-N 3.33Å; A405-S407 PolarHBondContact O-N 3.48Å; A405-A408 PolarHBondContact O-N 3.2Å; A405-L409 PolarHBondContact O-N 3.49Å; A405-F450 HydrophobicContact CB-CZ 4.12Å
406	V	98.6	Very high	98.4	Very high	18 Å²	18	32.4 Å²	32.4	11%	0.109	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-41	176.1	171.6	0	0	0	0	111	M328 L331 T402 P403 A408 L409 M410 F450	M328-V406 HydrophobicContact SD-CG1 4.25Å; M328-V406 HydrophobicContact SD-CG2 4.5Å; L331-V406 HydrophobicContact CB-CG2 3.89Å; L331-V406 HydrophobicContact CD1-CG2 4.05Å; T402-V406 WeakPolarHBondContact O-CG2 3.25Å; T402-V406 PolarHBondContact O-N 3.22Å; P403-V406 PolarHBondContact O-N 3.34Å; V406-A408 PolarHBondContact O-N 3.34Å; V406-L409 WeakPolarHBondContact O-CB 3.46Å; V406-L409 PolarHBondContact O-N 3.17Å; V406-M410 HydrophobicContact CG1-CG 4.25Å; V406-M410 WeakPolarHBondContact O-CG 3.48Å; V406-M410 PolarHBondContact O-N 3.37Å; V406-F450 HydrophobicContact CG2-CE2 4.36Å
407	S	98.6	Very high	98.2	Very high	82 Å²	82	34.7 Å²	34.7	57%	0.573	17%	0.174	S	C	*	.	H	α-helix	trans	-59.8	-44.4	175.6	-176.8	0	0	0	0	112.3	P403 R404 A405 L409 M410 K411	P403-S407 WeakPolarHBondContact O-CB 3.3Å; P403-S407 PolarHBondContact O-N 3.3Å; R404-S407 PolarHBondContact O-N 3.32Å; A405-S407 VanDerWaalsContact C-N 3.33Å; A405-S407 PolarHBondContact O-N 3.48Å; S407-L409 PolarHBondContact O-N 3Å; S407-M410 PolarHBondContact O-N 2.97Å; S407-K411 WeakPolarHBondContact O-CB 3.35Å; S407-K411 PolarHBondContact O-N 3.12Å
408	A	98.8	Very high	98	Very high	11 Å²	11	36.3 Å²	36.3	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-63.7	-39.4	175.7	0	0	0	0	0	112.3	N391 I392 R404 A405 V406 K411 L412	N391-A408 HydrophobicContact CB-CB 4Å; I392-A408 HydrophobicContact CD1-CB 4.45Å; I392-A408 HydrophobicContact CG1-CB 3.79Å; R404-A408 PolarHBondContact O-N 2.84Å; A405-A408 PolarHBondContact O-N 3.2Å; V406-A408 PolarHBondContact O-N 3.34Å; A408-K411 PolarHBondContact O-N 3.26Å; A408-L412 PolarHBondContact O-N 3.02Å; A408-L412 VanDerWaalsContact O-N 3.12Å
409	L	98.4	Very high	97.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-47.3	174.8	-170	71.4	0	0	0	111.8	I356 I392 A405 V406 S407 K411 L412 V413 I443 V446 L447	I356-L409 HydrophobicContact CD1-CD2 4.31Å; I392-L409 HydrophobicContact CD1-CB 4.21Å; I392-L409 HydrophobicContact CD1-CD1 4.16Å; A405-L409 PolarHBondContact O-N 3.49Å; V406-L409 WeakPolarHBondContact O-CB 3.46Å; V406-L409 PolarHBondContact O-N 3.17Å; S407-L409 PolarHBondContact O-N 3Å; L409-K411 VanDerWaalsContact C-N 3.3Å; L409-K411 PolarHBondContact O-N 3.17Å; L409-L412 WeakPolarHBondContact O-CB 3.39Å; L409-L412 PolarHBondContact O-N 3.29Å; L409-L412 VanDerWaalsContact O-N 3.17Å; L409-V413 WeakPolarHBondContact O-CG2 3.43Å; L409-V413 PolarHBondContact O-N 3.38Å; L409-I443 HydrophobicContact CD1-CB 4.2Å; L409-I443 HydrophobicContact CD1-CG1 3.69Å; L409-I443 HydrophobicContact CD1-CG2 4.27Å; L409-V446 HydrophobicContact CD1-CB 4.32Å; L409-V446 HydrophobicContact CD1-CG1 4.26Å; L409-V446 HydrophobicContact CD2-CG1 4.25Å; L409-L447 HydrophobicContact CD2-CD2 4.01Å; L409-L447 HydrophobicContact CD2-CG 4.29Å
410	M	98.6	Very high	97.5	Very high	46 Å²	46	36 Å²	36	23%	0.227	18%	0.181	C	C	.	.	H	α-helix	trans	-64.8	-34	178	-70.7	-59.6	-68.9	0	0	112.1	T355 I356 V406 S407 V413 Y414	T355-M410 HydrophobicContact CG2-CE 3.72Å; I356-M410 HydrophobicContact CD1-SD 3.84Å; I356-M410 HydrophobicContact CG1-SD 3.65Å; V406-M410 HydrophobicContact CG1-CG 4.25Å; V406-M410 WeakPolarHBondContact O-CG 3.48Å; V406-M410 PolarHBondContact O-N 3.37Å; S407-M410 PolarHBondContact O-N 2.97Å; M410-V413 WeakPolarHBondContact O-CB 3.31Å; M410-V413 PolarHBondContact O-N 3.22Å; M410-Y414 WeakPolarHBondContact O-CB 3.36Å; M410-Y414 PolarHBondContact O-N 2.98Å
411	K	98.6	Very high	97	Very high	114 Å²	114	41.1 Å²	41.1	50%	0.496	21%	0.205	S	C	.	.	H	α-helix	trans	-64.6	-39.2	173.3	-170.6	176	-178.2	-178	0	112	S407 A408 L409 Y414 H415	S407-K411 WeakPolarHBondContact O-CB 3.35Å; S407-K411 PolarHBondContact O-N 3.12Å; A408-K411 PolarHBondContact O-N 3.26Å; L409-K411 VanDerWaalsContact C-N 3.3Å; L409-K411 PolarHBondContact O-N 3.17Å; K411-Y414 WeakPolarHBondContact O-CB 3.43Å; K411-Y414 PolarHBondContact O-N 2.59Å; K411-H415 PolarHBondContact O-CD2 3.12Å; K411-H415 PolarHBondContact O-N 3.13Å; K411-H415 VanDerWaalsContact O-N 3.07Å
412	L	98.7	Very high	96.4	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-46.6	173.4	-178.4	65.4	0	0	0	111.3	R384 L385 A388 A408 L409 Y414 H415 G416 M439 Y442 I443	R384-L412 HydrophobicContact CB-CD1 4.14Å; L385-L412 HydrophobicContact CB-CD1 4.27Å; L385-L412 HydrophobicContact CD1-CD2 3.82Å; A388-L412 HydrophobicContact CB-CB 4Å; A388-L412 HydrophobicContact CB-CD1 4.24Å; A388-L412 HydrophobicContact CB-CD2 4Å; A388-L412 HydrophobicContact CB-CG 4.31Å; A408-L412 PolarHBondContact O-N 3.02Å; A408-L412 VanDerWaalsContact O-N 3.12Å; L409-L412 WeakPolarHBondContact O-CB 3.39Å; L409-L412 PolarHBondContact O-N 3.29Å; L409-L412 VanDerWaalsContact O-N 3.17Å; L412-Y414 VanDerWaalsContact C-N 3.32Å; L412-Y414 PolarHBondContact O-N 2.9Å; L412-H415 PolarHBondContact O-N 3.4Å; L412-G416 PolarHBondContact O-N 2.85Å; L412-M439 HydrophobicContact CD1-CE 3.68Å; L412-M439 HydrophobicContact CD1-CG 4.34Å; L412-M439 HydrophobicContact CG-CE 3.83Å; L412-M439 WeakPolarHBondContact O-CE 3.29Å; L412-Y442 HydrophobicContact CD2-CD1 4.12Å; L412-I443 HydrophobicContact CD2-CD1 4.29Å; L412-I443 HydrophobicContact CD2-CG1 4.15Å
413	V	98.4	Very high	95.6	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-44.3	175.6	167.7	0	0	0	0	111.4	T355 I356 F359 L409 M410 G416 N417 I443	T355-V413 HydrophobicContact CG2-CG1 4.09Å; I356-V413 HydrophobicContact CG1-CG2 4.28Å; F359-V413 HydrophobicContact CB-CG1 3.64Å; F359-V413 HydrophobicContact CD1-CG1 4.34Å; F359-V413 HydrophobicContact CD1-CG2 4Å; F359-V413 HydrophobicContact CG-CB 4.46Å; F359-V413 HydrophobicContact CG-CG1 3.9Å; F359-V413 HydrophobicContact CG-CG2 4.4Å; L409-V413 WeakPolarHBondContact O-CG2 3.43Å; L409-V413 PolarHBondContact O-N 3.38Å; M410-V413 WeakPolarHBondContact O-CB 3.31Å; M410-V413 PolarHBondContact O-N 3.22Å; V413-G416 PolarHBondContact O-N 3.47Å; V413-N417 WeakPolarHBondContact O-CB 2.98Å; V413-N417 PolarHBondContact O-N 2.89Å; V413-N417 PolarHBondContact O-ND2 3.09Å; V413-I443 HydrophobicContact CG2-CD1 3.81Å
414	Y	98.1	Very high	94.3	Very high	147 Å²	147	47.8 Å²	47.8	58%	0.576	25%	0.25	S	C	*	.	H	α-helix	trans	-57.4	-51.9	175.6	169.9	-98.1	0	0	0	112	M410 K411 L412 G416 N417 C418	M410-Y414 WeakPolarHBondContact O-CB 3.36Å; M410-Y414 PolarHBondContact O-N 2.98Å; K411-Y414 WeakPolarHBondContact O-CB 3.43Å; K411-Y414 PolarHBondContact O-N 2.59Å; L412-Y414 VanDerWaalsContact C-N 3.32Å; L412-Y414 PolarHBondContact O-N 2.9Å; Y414-G416 VanDerWaalsContact C-N 3.3Å; Y414-G416 PolarHBondContact O-N 3.39Å; Y414-N417 PolarHBondContact O-N 2.98Å; Y414-C418 VanDerWaalsContact CZ-SG 3.58Å; Y414-C418 PolarHBondContact O-N 3.46Å; Y414-C418 PolarHBondContact O-SG 3.31Å; Y414-C418 VanDerWaalsContact O-SG 3.34Å
415	H	97.4	Very high	92.7	Very high	34 Å²	34	48 Å²	48	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-37.4	179.8	-73	-57.7	0	0	0	112.7	R384 K411 L412 C418	R384-H415 HydrophobicContact CG-CB 4.12Å; K411-H415 PolarHBondContact O-CD2 3.12Å; K411-H415 PolarHBondContact O-N 3.13Å; K411-H415 VanDerWaalsContact O-N 3.07Å; L412-H415 PolarHBondContact O-N 3.4Å; H415-C418 PolarHBondContact O-N 2.95Å
416	G	96.4	Very high	90.7	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-45.9	173.2	0	0	0	0	0	112.8	L412 V413 Y414 C418 Q419 L420	L412-G416 PolarHBondContact O-N 2.85Å; V413-G416 PolarHBondContact O-N 3.47Å; Y414-G416 VanDerWaalsContact C-N 3.3Å; Y414-G416 PolarHBondContact O-N 3.39Å; G416-C418 VanDerWaalsContact C-N 3.31Å; G416-C418 PolarHBondContact O-N 3.02Å; G416-Q419 PolarHBondContact O-N 3.22Å; G416-Q419 VanDerWaalsContact O-N 3.08Å; G416-L420 WeakPolarHBondContact O-CG 3.45Å; G416-L420 PolarHBondContact O-N 3.37Å
417	N	95.6	Very high	88.8	Confident	48 Å²	48	58.5 Å²	58.5	26%	0.257	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-38.4	176.1	-81.7	-33.5	0	0	0	112.4	F359 V413 Y414 Q419 L420 Q421	F359-N417 WeakPolarHBondContact CD2-OD1 3.41Å; V413-N417 WeakPolarHBondContact O-CB 2.98Å; V413-N417 PolarHBondContact O-N 2.89Å; V413-N417 PolarHBondContact O-ND2 3.09Å; Y414-N417 PolarHBondContact O-N 2.98Å; N417-Q419 PolarHBondContact O-N 2.93Å; N417-L420 PolarHBondContact O-N 3.4Å; N417-L420 VanDerWaalsContact O-N 3.11Å; N417-Q421 PolarHBondContact O-NE2 3.04Å
418	C	94.4	Very high	86.9	Confident	54 Å²	54	59 Å²	59	37%	0.365	34%	0.339	S	S	.	.	H	α-helix	trans	-58.9	-28.7	175.3	-70.1	0	0	0	0	113.3	Y414 H415 G416 Q421	Y414-C418 VanDerWaalsContact CZ-SG 3.58Å; Y414-C418 PolarHBondContact O-N 3.46Å; Y414-C418 PolarHBondContact O-SG 3.31Å; Y414-C418 VanDerWaalsContact O-SG 3.34Å; H415-C418 PolarHBondContact O-N 2.95Å; G416-C418 VanDerWaalsContact C-N 3.31Å; G416-C418 PolarHBondContact O-N 3.02Å; C418-Q421 WeakPolarHBondContact O-CG 3.45Å
419	Q	93.7	Very high	85.4	Confident	31 Å²	31	60.9 Å²	60.9	15%	0.145	36%	0.36	C	S	.	.	H	α-helix	trans	-88.9	-26.3	177	-60.5	-65.8	-48.8	0	0	111.8	M376 L381 G416 N417 Q421 F436	M376-Q419 HydrophobicContact CE-CB 3.85Å; M376-Q419 WeakPolarHBondContact CE-O 3.31Å; M376-Q419 HydrophobicContact CG-CB 4.17Å; L381-Q419 HydrophobicContact CD1-CB 4.23Å; L381-Q419 HydrophobicContact CD1-CG 4.03Å; L381-Q419 HydrophobicContact CD2-CG 3.89Å; L381-Q419 HydrophobicContact CG-CG 4.09Å; G416-Q419 PolarHBondContact O-N 3.22Å; G416-Q419 VanDerWaalsContact O-N 3.08Å; N417-Q419 PolarHBondContact O-N 2.93Å; Q419-Q421 PolarHBondContact O-N 3.49Å; Q419-Q421 VanDerWaalsContact O-N 3.08Å; Q419-F436 HydrophobicContact CB-CZ 4.12Å
420	L	91.9	Very high	84.3	Confident	8 Å²	8	68.9 Å²	68.9	4%	0.042	40%	0.401	C	S	.	.			trans	-84.1	43.8	179.6	-69.3	168.5	0	0	0	113.8	F359 A362 A363 Y366 L371 M376 G416 N417 P422 F436	F359-L420 HydrophobicContact CD2-CD1 3.9Å; F359-L420 HydrophobicContact CE2-CD1 3.66Å; A362-L420 HydrophobicContact CB-CD1 4Å; A363-L420 HydrophobicContact CB-CD1 4.12Å; Y366-L420 VanDerWaalsContact CB-CD2 3.49Å; Y366-L420 HydrophobicContact CD1-CD2 4.34Å; Y366-L420 HydrophobicContact CD2-CD2 4.08Å; Y366-L420 HydrophobicContact CG-CD2 3.71Å; L371-L420 HydrophobicContact CD2-CD2 4.11Å; M376-L420 HydrophobicContact CE-CD2 3.68Å; M376-L420 HydrophobicContact CE-CG 4.11Å; G416-L420 WeakPolarHBondContact O-CG 3.45Å; G416-L420 PolarHBondContact O-N 3.37Å; N417-L420 PolarHBondContact O-N 3.4Å; N417-L420 VanDerWaalsContact O-N 3.11Å; L420-P422 WeakPolarHBondContact O-CD 3.47Å; L420-F436 HydrophobicContact CD1-CD1 3.96Å; L420-F436 HydrophobicContact CD1-CE1 3.57Å; L420-F436 HydrophobicContact CD1-CZ 4.34Å; L420-F436 HydrophobicContact CD2-CD1 4.34Å; L420-F436 HydrophobicContact CD2-CE1 3.9Å; L420-F436 HydrophobicContact CD2-CE2 4.38Å; L420-F436 HydrophobicContact CD2-CZ 3.92Å; L420-F436 HydrophobicContact CG-CD1 4.27Å; L420-F436 HydrophobicContact CG-CE1 3.53Å; L420-F436 HydrophobicContact CG-CZ 3.8Å
421	Q	88.3	Confident	83.7	Confident	108 Å²	108	70.8 Å²	70.8	51%	0.505	41%	0.405	S	S	.	.			trans	-83.1	120	177.1	-62.3	-57.4	-52.9	0	0	110.2	C373 P374 N417 C418 Q419	C373-Q421 WeakPolarHBondContact CA-O 3.44Å; C373-Q421 PolarHBondContact SG-O 3.42Å; C373-Q421 VanDerWaalsContact SG-O 3.35Å; P374-Q421 VanDerWaalsContact CD-O 3.24Å; P374-Q421 WeakPolarHBondContact CD-O 3.2Å; N417-Q421 PolarHBondContact O-NE2 3.04Å; C418-Q421 WeakPolarHBondContact O-CG 3.45Å; Q419-Q421 PolarHBondContact O-N 3.49Å; Q419-Q421 VanDerWaalsContact O-N 3.08Å
422	P	84.6	Confident	83.4	Confident	63 Å²	63	66 Å²	66	41%	0.409	39%	0.386	S	S	.	.			trans	-67.3	139	-177	-18.4	31.4	0	0	0	112.5	L371 H372 L420 R528	L371-P422 HydrophobicContact CD1-CB 3.89Å; L371-P422 HydrophobicContact CD1-CG 4.07Å; H372-P422 WeakPolarHBondContact O-CA 3.31Å; L420-P422 WeakPolarHBondContact O-CD 3.47Å; P422-R528 HydrophobicContact CB-CG 4.37Å
423	V	83.2	Confident	83.1	Confident	46 Å²	46	68.3 Å²	68.3	28%	0.279	40%	0.402	S	S	.	.			trans	-121.2	148.9	169	-68.6	0	0	0	0	111.5	H372 P374	H372-V423 HydrophobicContact CB-CG2 4.2Å; H372-V423 PolarHBondContact O-N 2.85Å; P374-V423 HydrophobicContact CG-CG1 3.77Å
424	S	71.2	Confident	83	Confident	87 Å²	87	71.2 Å²	71.2	61%	0.608	43%	0.425	S	S	*	.	S	Bend	trans	-77	-22.5	-176.2	-57.1	0	0	0	0	114
425	T	64	Low	83	Confident	108 Å²	108	64.2 Å²	64.2	66%	0.663	40%	0.398	S	S	*	.	S	Bend	trans	-129.7	123	-177.3	48	0	0	0	0	109.2	E427	T425-E427 PolarHBondContact O-N 3.18Å
426	A	57.6	Low	83	Confident	61 Å²	61	62.6 Å²	62.6	50%	0.504	39%	0.39	S	S	.	.			trans	-82.6	104	174.6	0	0	0	0	0	108.9	H372 G428	H372-A426 HydrophobicContact CB-CB 4.29Å; H372-A426 VanDerWaalsContact CD2-CB 3.4Å; H372-A426 WeakPolarHBondContact CD2-CB 3.36Å; A426-G428 PolarHBondContact O-N 3.5Å
427	E	58.5	Low	83	Confident	176 Å²	176	63.5 Å²	63.5	82%	0.822	40%	0.4	S	S	*	.			trans	-67.4	127.9	156.4	-69.3	-178.4	179.9	0	0	106.3	T425 G429	T425-E427 PolarHBondContact O-N 3.18Å; E427-G429 PolarHBondContact O-N 3.18Å
428	G	59.1	Low	83.1	Confident	92 Å²	92	62.5 Å²	62.5	95%	0.948	40%	0.398	S	S	*	.			trans	-67.1	54.1	-170.4	0	0	0	0	0	115.2	A426	A426-G428 PolarHBondContact O-N 3.5Å
429	G	67.3	Low	83.3	Confident	51 Å²	51	59.9 Å²	59.9	53%	0.526	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-82.6	162.1	179.8	0	0	0	0	0	113.6	E427 R431	E427-G429 PolarHBondContact O-N 3.18Å; G429-R431 PolarHBondContact O-N 3.43Å
430	I	74.9	Confident	83.5	Confident	168 Å²	168	58.6 Å²	58.6	86%	0.862	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-62.6	132.6	174.2	-60.3	170.5	0	0	0	108.9
431	R	86.7	Confident	83.8	Confident	86 Å²	86	61.9 Å²	61.9	33%	0.325	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-98.7	150.5	177.7	-58.9	173.3	69.9	127.3	20.8	110.1	Y366 G369 L371 G429 P433	Y366-R431 PolarHBondContact O-NH2 3.41Å; G369-R431 VanDerWaalsContact CA-CZ 3.5Å; L371-R431 PolarHBondContact O-NH2 3.46Å; G429-R431 PolarHBondContact O-N 3.43Å; R431-P433 WeakPolarHBondContact O-CD 3.42Å
432	S	91.1	Very high	84.2	Confident	13 Å²	13	58.4 Å²	58.4	9%	0.091	38%	0.378	C	S	.	.			trans	-115.4	61	178.6	-62.1	0	0	0	0	111.6	Y366 E378 A434 V435	Y366-S432 PolarHBondContact OH-N 3.16Å; E378-S432 WeakPolarHBondContact OE2-CB 3.34Å; E378-S432 PolarHBondContact OE2-OG 3.03Å; S432-A434 VanDerWaalsContact C-N 3.27Å; S432-A434 PolarHBondContact O-N 3.22Å; S432-V435 WeakPolarHBondContact O-CG1 3.47Å
433	P	93.9	Very high	84.9	Confident	53 Å²	53	55.4 Å²	55.4	34%	0.344	36%	0.358	S	S	.	.	H	α-helix	trans	-66.7	-28.1	-177.4	29.2	-35.6	0	0	0	112.7	M367 R431 V435 F436 G437	M367-P433 HydrophobicContact CB-CB 4.26Å; M367-P433 HydrophobicContact CG-CB 3.91Å; M367-P433 WeakPolarHBondContact CG-O 3.24Å; R431-P433 WeakPolarHBondContact O-CD 3.42Å; P433-V435 PolarHBondContact O-N 2.95Å; P433-F436 PolarHBondContact O-N 2.78Å; P433-G437 PolarHBondContact O-N 2.87Å
434	A	96	Very high	85.5	Confident	61 Å²	61	56.3 Å²	56.3	50%	0.504	36%	0.357	S	S	.	.	H	α-helix	trans	-60.8	-43.5	-173.9	0	0	0	0	0	113.1	W382 S432 F436 G437 A438	W382-A434 HydrophobicContact CZ2-CB 4.36Å; S432-A434 VanDerWaalsContact C-N 3.27Å; S432-A434 PolarHBondContact O-N 3.22Å; A434-F436 PolarHBondContact O-N 2.82Å; A434-G437 PolarHBondContact O-N 3.15Å; A434-A438 PolarHBondContact O-N 3Å
435	V	97.1	Very high	86.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-65.7	-38.4	-179.5	69.4	0	0	0	0	112.1	E378 L381 W382 S432 P433 A438 M439	E378-V435 HydrophobicContact CG-CB 4.43Å; E378-V435 HydrophobicContact CG-CG1 4.3Å; L381-V435 HydrophobicContact CB-CB 4.46Å; L381-V435 HydrophobicContact CB-CG1 4.13Å; L381-V435 HydrophobicContact CB-CG2 3.51Å; L381-V435 HydrophobicContact CD1-CG1 3.75Å; W382-V435 HydrophobicContact CD2-CB 4.11Å; W382-V435 HydrophobicContact CD2-CG2 3.62Å; W382-V435 HydrophobicContact CE3-CG2 4.06Å; W382-V435 HydrophobicContact CG-CG2 3.87Å; W382-V435 HydrophobicContact CH2-CB 4.45Å; W382-V435 HydrophobicContact CZ2-CB 3.8Å; W382-V435 HydrophobicContact CZ2-CG2 4.17Å; S432-V435 WeakPolarHBondContact O-CG1 3.47Å; P433-V435 PolarHBondContact O-N 2.95Å; V435-A438 PolarHBondContact O-N 3.28Å; V435-M439 HydrophobicContact CG2-SD 4.4Å; V435-M439 VanDerWaalsContact O-CG 3.24Å; V435-M439 WeakPolarHBondContact O-CG 3.27Å; V435-M439 PolarHBondContact O-N 2.94Å
436	F	96.8	Very high	88.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.7	-36.6	173.8	-74	-75.7	0	0	0	112.3	F359 A363 Y366 M367 M376 L381 Q419 L420 P433 A434 M439 V440	F359-F436 HydrophobicContact CE2-CD1 4.19Å; F359-F436 HydrophobicContact CE2-CE1 4.13Å; F359-F436 HydrophobicContact CZ-CD1 4.13Å; F359-F436 HydrophobicContact CZ-CE1 4.43Å; A363-F436 HydrophobicContact CB-CB 4.17Å; A363-F436 HydrophobicContact CB-CD1 3.96Å; A363-F436 HydrophobicContact CB-CG 4.4Å; Y366-F436 AromaticContact CD1-CD2 3.62Å; Y366-F436 HydrophobicContact CD1-CD2 3.62Å; Y366-F436 HydrophobicContact CD1-CE2 4.05Å; Y366-F436 HydrophobicContact CD1-CG 4.28Å; Y366-F436 AromaticContact CE1-CD2 3.69Å; Y366-F436 HydrophobicContact CE1-CD2 3.69Å; Y366-F436 AromaticContact CE1-CE2 3.92Å; Y366-F436 HydrophobicContact CE1-CE2 3.92Å; M367-F436 HydrophobicContact CG-CB 4.18Å; M367-F436 HydrophobicContact SD-CB 4.39Å; M376-F436 HydrophobicContact CE-CE2 3.42Å; M376-F436 VanDerWaalsContact CE-CE2 3.42Å; M376-F436 HydrophobicContact CE-CZ 3.38Å; M376-F436 HydrophobicContact SD-CD2 4.47Å; M376-F436 HydrophobicContact SD-CE2 3.41Å; M376-F436 WeakPolarHBondContact SD-CE2 3.31Å; M376-F436 HydrophobicContact SD-CZ 3.92Å; L381-F436 HydrophobicContact CD1-CE1 4.27Å; L381-F436 HydrophobicContact CD1-CE2 3.75Å; L381-F436 HydrophobicContact CD1-CZ 3.54Å; Q419-F436 HydrophobicContact CB-CZ 4.12Å; L420-F436 HydrophobicContact CD1-CD1 3.96Å; L420-F436 HydrophobicContact CD1-CE1 3.57Å; L420-F436 HydrophobicContact CD1-CZ 4.34Å; L420-F436 HydrophobicContact CD2-CD1 4.34Å; L420-F436 HydrophobicContact CD2-CE1 3.9Å; L420-F436 HydrophobicContact CD2-CE2 4.38Å; L420-F436 HydrophobicContact CD2-CZ 3.92Å; L420-F436 HydrophobicContact CG-CD1 4.27Å; L420-F436 HydrophobicContact CG-CE1 3.53Å; L420-F436 HydrophobicContact CG-CZ 3.8Å; P433-F436 PolarHBondContact O-N 2.78Å; A434-F436 PolarHBondContact O-N 2.82Å; F436-M439 HydrophobicContact CD1-SD 4.33Å; F436-M439 HydrophobicContact CE1-SD 4.49Å; F436-M439 PolarHBondContact O-N 3.14Å; F436-V440 WeakPolarHBondContact O-CB 3.21Å; F436-V440 VanDerWaalsContact O-CG2 3.28Å; F436-V440 WeakPolarHBondContact O-CG2 3.23Å; F436-V440 PolarHBondContact O-N 3.07Å
437	G	97	Very high	90.3	Very high	19 Å²	19	48.8 Å²	48.8	20%	0.196	30%	0.298	C	S	.	.	H	α-helix	trans	-57.7	-50.1	171.5	0	0	0	0	0	111.1	M367 P433 A434 M439 V440 T441	M367-G437 WeakPolarHBondContact SD-CA 3.32Å; M367-G437 PolarHBondContact SD-N 3.12Å; P433-G437 PolarHBondContact O-N 2.87Å; A434-G437 PolarHBondContact O-N 3.15Å; G437-M439 PolarHBondContact O-N 3.25Å; G437-V440 PolarHBondContact O-N 3Å; G437-T441 WeakPolarHBondContact O-CB 3.33Å; G437-T441 PolarHBondContact O-N 3.27Å; G437-T441 PolarHBondContact O-OG1 3.43Å; G437-T441 VanDerWaalsContact O-OG1 3.06Å
438	A	98.4	Very high	92.1	Very high	27 Å²	27	43.6 Å²	43.6	22%	0.223	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-40.7	178	0	0	0	0	0	113	W382 L385 A434 V435 Y442	W382-A438 HydrophobicContact CH2-CB 3.56Å; W382-A438 HydrophobicContact CZ3-CB 3.53Å; L385-A438 HydrophobicContact CD2-CB 3.7Å; A434-A438 PolarHBondContact O-N 3Å; V435-A438 PolarHBondContact O-N 3.28Å; A438-Y442 VanDerWaalsContact O-CB 3.28Å; A438-Y442 WeakPolarHBondContact O-CB 3.26Å; A438-Y442 PolarHBondContact O-N 2.94Å
439	M	98.4	Very high	94	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-47.8	175.3	-70.3	170.1	74.6	0	0	111.8	F359 L381 L385 L412 V435 F436 G437 Y442 I443	F359-M439 HydrophobicContact CE1-CE 4.46Å; F359-M439 HydrophobicContact CE2-CE 4.34Å; F359-M439 HydrophobicContact CZ-CB 4.38Å; F359-M439 HydrophobicContact CZ-CE 3.68Å; F359-M439 HydrophobicContact CZ-SD 4.44Å; L381-M439 HydrophobicContact CB-SD 4.42Å; L381-M439 HydrophobicContact CD2-CE 4.4Å; L381-M439 HydrophobicContact CD2-SD 4.24Å; L385-M439 HydrophobicContact CB-CG 4.45Å; L385-M439 HydrophobicContact CD1-CG 4.34Å; L385-M439 HydrophobicContact CD2-CG 4.34Å; L412-M439 HydrophobicContact CD1-CE 3.68Å; L412-M439 HydrophobicContact CD1-CG 4.34Å; L412-M439 HydrophobicContact CG-CE 3.83Å; L412-M439 WeakPolarHBondContact O-CE 3.29Å; V435-M439 HydrophobicContact CG2-SD 4.4Å; V435-M439 VanDerWaalsContact O-CG 3.24Å; V435-M439 WeakPolarHBondContact O-CG 3.27Å; V435-M439 PolarHBondContact O-N 2.94Å; F436-M439 HydrophobicContact CD1-SD 4.33Å; F436-M439 HydrophobicContact CE1-SD 4.49Å; F436-M439 PolarHBondContact O-N 3.14Å; G437-M439 PolarHBondContact O-N 3.25Å; M439-Y442 PolarHBondContact O-N 3.31Å; M439-I443 WeakPolarHBondContact O-CB 3.49Å; M439-I443 WeakPolarHBondContact O-CD1 3.37Å; M439-I443 WeakPolarHBondContact O-CG1 3.19Å; M439-I443 PolarHBondContact O-N 2.97Å
440	V	97.9	Very high	95.4	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.024	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-45.6	-179.9	168	0	0	0	0	111.1	F359 I360 A363 M367 F436 G437 I443 R444	F359-V440 HydrophobicContact CE1-CG2 4.39Å; I360-V440 HydrophobicContact CG1-CG1 4.43Å; I360-V440 HydrophobicContact CG1-CG2 4.43Å; I360-V440 HydrophobicContact CG2-CG1 4.03Å; A363-V440 HydrophobicContact CB-CG2 3.57Å; M367-V440 HydrophobicContact CE-CG2 4.28Å; F436-V440 WeakPolarHBondContact O-CB 3.21Å; F436-V440 VanDerWaalsContact O-CG2 3.28Å; F436-V440 WeakPolarHBondContact O-CG2 3.23Å; F436-V440 PolarHBondContact O-N 3.07Å; G437-V440 PolarHBondContact O-N 3Å; V440-I443 PolarHBondContact O-N 3.46Å; V440-R444 WeakPolarHBondContact O-CG 3.45Å; V440-R444 PolarHBondContact O-N 2.93Å
441	T	97.3	Very high	96.5	Very high	77 Å²	77	29.5 Å²	29.5	47%	0.472	17%	0.169	S	C	.	.	H	α-helix	trans	-58.2	-51.7	175.5	-61.8	0	0	0	0	110.3	G437 I443 R444 D445	G437-T441 WeakPolarHBondContact O-CB 3.33Å; G437-T441 PolarHBondContact O-N 3.27Å; G437-T441 PolarHBondContact O-OG1 3.43Å; G437-T441 VanDerWaalsContact O-OG1 3.06Å; T441-I443 PolarHBondContact O-N 2.87Å; T441-R444 WeakPolarHBondContact O-CB 3.24Å; T441-R444 PolarHBondContact O-N 2.9Å; T441-R444 VanDerWaalsContact O-N 3.13Å; T441-D445 PolarHBondContact O-N 3.25Å
442	Y	98.3	Very high	97	Very high	34 Å²	34	25.5 Å²	25.5	13%	0.133	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-41.1	-178.9	-179.5	-112.6	0	0	0	113.4	L385 K389 I392 L412 A438 M439 R444 D445 V446	L385-Y442 HydrophobicContact CD1-CD1 3.64Å; L385-Y442 HydrophobicContact CD1-CG 3.98Å; K389-Y442 WeakPolarHBondContact CA-OH 3.5Å; K389-Y442 HydrophobicContact CD-CD2 4.42Å; K389-Y442 HydrophobicContact CD-CE2 4.41Å; K389-Y442 HydrophobicContact CG-CD1 4.12Å; K389-Y442 HydrophobicContact CG-CD2 3.96Å; K389-Y442 HydrophobicContact CG-CE1 3.74Å; K389-Y442 HydrophobicContact CG-CE2 3.59Å; K389-Y442 HydrophobicContact CG-CG 4.23Å; K389-Y442 VanDerWaalsContact CG-CZ 3.49Å; I392-Y442 HydrophobicContact CD1-CE1 3.86Å; I392-Y442 WeakPolarHBondContact CD1-OH 3.26Å; L412-Y442 HydrophobicContact CD2-CD1 4.12Å; A438-Y442 VanDerWaalsContact O-CB 3.28Å; A438-Y442 WeakPolarHBondContact O-CB 3.26Å; A438-Y442 PolarHBondContact O-N 2.94Å; M439-Y442 PolarHBondContact O-N 3.31Å; Y442-R444 VanDerWaalsContact C-N 3.32Å; Y442-R444 PolarHBondContact O-N 3.14Å; Y442-D445 PolarHBondContact O-N 3.2Å; Y442-V446 HydrophobicContact CD1-CG2 4.49Å; Y442-V446 HydrophobicContact CD2-CG2 4.31Å; Y442-V446 HydrophobicContact CE1-CG2 3.94Å; Y442-V446 HydrophobicContact CE2-CG2 3.7Å; Y442-V446 VanDerWaalsContact CZ-CG2 3.47Å; Y442-V446 WeakPolarHBondContact O-CG2 3.45Å; Y442-V446 PolarHBondContact O-N 3.41Å
443	I	98.3	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-41.9	176.7	-71.7	160.1	0	0	0	110.8	I356 F359 I360 L409 L412 V413 M439 V440 T441 V446 L447	I356-I443 HydrophobicContact CG2-CG2 3.65Å; F359-I443 HydrophobicContact CD1-CD1 3.82Å; F359-I443 HydrophobicContact CE1-CD1 3.43Å; F359-I443 VanDerWaalsContact CE1-CD1 3.43Å; I360-I443 HydrophobicContact CD1-CG2 4.22Å; L409-I443 HydrophobicContact CD1-CB 4.2Å; L409-I443 HydrophobicContact CD1-CG1 3.69Å; L409-I443 HydrophobicContact CD1-CG2 4.27Å; L412-I443 HydrophobicContact CD2-CD1 4.29Å; L412-I443 HydrophobicContact CD2-CG1 4.15Å; V413-I443 HydrophobicContact CG2-CD1 3.81Å; M439-I443 WeakPolarHBondContact O-CB 3.49Å; M439-I443 WeakPolarHBondContact O-CD1 3.37Å; M439-I443 WeakPolarHBondContact O-CG1 3.19Å; M439-I443 PolarHBondContact O-N 2.97Å; V440-I443 PolarHBondContact O-N 3.46Å; T441-I443 PolarHBondContact O-N 2.87Å; I443-V446 PolarHBondContact O-N 2.72Å; I443-L447 HydrophobicContact CG2-CD1 4.06Å; I443-L447 VanDerWaalsContact O-CG 3.3Å; I443-L447 WeakPolarHBondContact O-CG 3.4Å; I443-L447 PolarHBondContact O-N 2.78Å
444	R	96.9	Very high	96.1	Very high	65 Å²	65	24.7 Å²	24.7	25%	0.245	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-44.6	176.2	-74.1	174.9	178.3	172.9	0	111.6	I360 V440 T441 Y442 V446 L447 D448	I360-R444 HydrophobicContact CD1-CG 4.41Å; V440-R444 WeakPolarHBondContact O-CG 3.45Å; V440-R444 PolarHBondContact O-N 2.93Å; T441-R444 WeakPolarHBondContact O-CB 3.24Å; T441-R444 PolarHBondContact O-N 2.9Å; T441-R444 VanDerWaalsContact O-N 3.13Å; Y442-R444 VanDerWaalsContact C-N 3.32Å; Y442-R444 PolarHBondContact O-N 3.14Å; R444-V446 VanDerWaalsContact C-N 3.34Å; R444-V446 PolarHBondContact O-N 3.17Å; R444-L447 PolarHBondContact O-N 2.82Å; R444-D448 PolarHBondContact O-N 2.95Å
445	D	96.7	Very high	94.5	Very high	89 Å²	89	24.7 Å²	24.7	48%	0.476	14%	0.137	S	C	.	.	H	α-helix	trans	-59.6	-45.2	178.9	-62	-19.9	0	0	0	111.1	T441 Y442 L447 D448 V449	T441-D445 PolarHBondContact O-N 3.25Å; Y442-D445 PolarHBondContact O-N 3.2Å; D445-L447 PolarHBondContact O-N 2.84Å; D445-D448 PolarHBondContact O-N 3.35Å; D445-V449 WeakPolarHBondContact O-CG2 3.49Å; D445-V449 PolarHBondContact O-N 3.45Å
446	V	98.1	Very high	92.3	Very high	9 Å²	9	30 Å²	30	6%	0.055	16%	0.162	C	C	.	.	H	α-helix	trans	-63.4	-41.6	177.3	172	0	0	0	0	111.7	I392 L409 Y442 I443 R444 V449 F450	I392-V446 HydrophobicContact CD1-CG2 4.33Å; I392-V446 HydrophobicContact CG2-CG2 4.45Å; L409-V446 HydrophobicContact CD1-CB 4.32Å; L409-V446 HydrophobicContact CD1-CG1 4.26Å; L409-V446 HydrophobicContact CD2-CG1 4.25Å; Y442-V446 HydrophobicContact CD1-CG2 4.49Å; Y442-V446 HydrophobicContact CD2-CG2 4.31Å; Y442-V446 HydrophobicContact CE1-CG2 3.94Å; Y442-V446 HydrophobicContact CE2-CG2 3.7Å; Y442-V446 VanDerWaalsContact CZ-CG2 3.47Å; Y442-V446 WeakPolarHBondContact O-CG2 3.45Å; Y442-V446 PolarHBondContact O-N 3.41Å; I443-V446 PolarHBondContact O-N 2.72Å; R444-V446 VanDerWaalsContact C-N 3.34Å; R444-V446 PolarHBondContact O-N 3.17Å; V446-V449 WeakPolarHBondContact O-CB 3.49Å; V446-V449 PolarHBondContact O-N 3.08Å; V446-F450 HydrophobicContact CG1-CD2 4.11Å; V446-F450 HydrophobicContact CG1-CE2 3.51Å; V446-F450 HydrophobicContact CG1-CZ 3.95Å; V446-F450 WeakPolarHBondContact O-CD2 3.34Å; V446-F450 WeakPolarHBondContact O-CG 3.44Å; V446-F450 PolarHBondContact O-N 3.1Å; V446-F450 VanDerWaalsContact O-N 3.16Å
447	L	98.1	Very high	89.9	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-68.3	-37.5	177.6	-70	176.6	0	0	0	112.3	M328 I356 L409 I443 R444 D445 V449 F450 G451 I452 L454	M328-L447 HydrophobicContact CE-CD2 4.33Å; I356-L447 HydrophobicContact CD1-CD2 4.47Å; I356-L447 HydrophobicContact CG2-CD1 3.98Å; L409-L447 HydrophobicContact CD2-CD2 4.01Å; L409-L447 HydrophobicContact CD2-CG 4.29Å; I443-L447 HydrophobicContact CG2-CD1 4.06Å; I443-L447 VanDerWaalsContact O-CG 3.3Å; I443-L447 WeakPolarHBondContact O-CG 3.4Å; I443-L447 PolarHBondContact O-N 2.78Å; R444-L447 PolarHBondContact O-N 2.82Å; D445-L447 PolarHBondContact O-N 2.84Å; L447-V449 VanDerWaalsContact C-N 3.33Å; L447-V449 PolarHBondContact O-N 3.24Å; L447-F450 CarbonylContact O-C 3.56Å; L447-F450 VanDerWaalsContact O-C 3.31Å; L447-F450 WeakPolarHBondContact O-CA 3.34Å; L447-F450 PolarHBondContact O-N 3.01Å; L447-G451 PolarHBondContact O-N 2.98Å; L447-G451 VanDerWaalsContact O-N 3.08Å; L447-I452 CarbonylContact C-O 3.48Å; L447-I452 HydrophobicContact CB-CB 4.13Å; L447-I452 HydrophobicContact CB-CG2 4.27Å; L447-I452 WeakPolarHBondContact CB-O 3.46Å; L447-I452 HydrophobicContact CD1-CG2 4.5Å; L447-I452 HydrophobicContact CD2-CB 4.26Å; L447-I452 HydrophobicContact CD2-CD1 4.16Å; L447-I452 HydrophobicContact CD2-CG2 4.18Å; L447-I452 PolarHBondContact O-N 2.69Å; L447-L454 HydrophobicContact CD1-CD1 3.28Å; L447-L454 HydrophobicContact CD1-CG 3.8Å
448	D	96.6	Very high	87.2	Confident	66 Å²	66	36.5 Å²	36.5	35%	0.353	19%	0.189	S	C	.	.	H	α-helix	trans	-61	-41	173.1	-178.4	65.2	0	0	0	111.7	R93 R444 D445 F450 G451	R93-D448 IonicContact CZ-OD2 3.27Å; R93-D448 IonicContact NH1-OD2 3.78Å; R93-D448 PolarHBondContact NH1-OD2 3.3Å; R444-D448 PolarHBondContact O-N 2.95Å; D445-D448 PolarHBondContact O-N 3.35Å; D448-F450 PolarHBondContact O-N 2.76Å; D448-G451 WeakPolarHBondContact O-CA 3.4Å; D448-G451 PolarHBondContact O-N 3Å
449	V	97.6	Very high	84.1	Confident	11 Å²	11	40.4 Å²	40.4	7%	0.067	20%	0.202	C	C	.	.	H	α-helix	trans	-57.8	-38.8	171.4	173.4	0	0	0	0	110.7	R89 I90 R93 L94 D445 V446 L447 G451	R89-V449 WeakPolarHBondContact CB-O 3.49Å; R89-V449 VanDerWaalsContact CD-O 3.27Å; R89-V449 WeakPolarHBondContact CD-O 3.49Å; I90-V449 HydrophobicContact CG1-CG1 3.91Å; R93-V449 HydrophobicContact CB-CG2 3.79Å; R93-V449 HydrophobicContact CG-CG2 4.43Å; L94-V449 HydrophobicContact CD1-CG1 4.08Å; L94-V449 HydrophobicContact CD2-CG2 4.09Å; L94-V449 HydrophobicContact CG-CG1 4.16Å; L94-V449 HydrophobicContact CG-CG2 4.21Å; D445-V449 WeakPolarHBondContact O-CG2 3.49Å; D445-V449 PolarHBondContact O-N 3.45Å; V446-V449 WeakPolarHBondContact O-CB 3.49Å; V446-V449 PolarHBondContact O-N 3.08Å; L447-V449 VanDerWaalsContact C-N 3.33Å; L447-V449 PolarHBondContact O-N 3.24Å; V449-G451 PolarHBondContact O-N 3.26Å
450	F	98.3	Very high	81.1	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	5.9	173.7	-56.8	-32.5	0	0	0	114.1	I86 I90 R327 L331 L396 T402 A405 V406 V446 L447 D448 I452	I86-F450 HydrophobicContact CG2-CD1 4.04Å; I90-F450 HydrophobicContact CD1-CE1 4.24Å; I90-F450 HydrophobicContact CG1-CE1 4.32Å; R327-F450 PolarHBondContact NE-O 3.36Å; R327-F450 PolarHBondContact NH2-O 3.4Å; L331-F450 HydrophobicContact CD1-CB 3.81Å; L331-F450 HydrophobicContact CD1-CD2 3.56Å; L331-F450 HydrophobicContact CD1-CE2 4.27Å; L331-F450 HydrophobicContact CD1-CG 3.77Å; L331-F450 HydrophobicContact CD2-CB 4.18Å; L331-F450 HydrophobicContact CD2-CD1 3.87Å; L331-F450 HydrophobicContact CD2-CD2 4.17Å; L331-F450 HydrophobicContact CD2-CE1 4.28Å; L331-F450 HydrophobicContact CD2-CG 3.82Å; L331-F450 HydrophobicContact CG-CG 4.47Å; L396-F450 HydrophobicContact CD1-CE1 4.1Å; L396-F450 HydrophobicContact CD1-CZ 4.19Å; L396-F450 HydrophobicContact CD2-CE1 4.11Å; L396-F450 HydrophobicContact CD2-CZ 4.27Å; T402-F450 HydrophobicContact CG2-CE1 4.46Å; A405-F450 HydrophobicContact CB-CZ 4.12Å; V406-F450 HydrophobicContact CG2-CE2 4.36Å; V446-F450 HydrophobicContact CG1-CD2 4.11Å; V446-F450 HydrophobicContact CG1-CE2 3.51Å; V446-F450 HydrophobicContact CG1-CZ 3.95Å; V446-F450 WeakPolarHBondContact O-CD2 3.34Å; V446-F450 WeakPolarHBondContact O-CG 3.44Å; V446-F450 PolarHBondContact O-N 3.1Å; V446-F450 VanDerWaalsContact O-N 3.16Å; L447-F450 CarbonylContact O-C 3.56Å; L447-F450 VanDerWaalsContact O-C 3.31Å; L447-F450 WeakPolarHBondContact O-CA 3.34Å; L447-F450 PolarHBondContact O-N 3.01Å; D448-F450 PolarHBondContact O-N 2.76Å; F450-I452 HydrophobicContact CB-CD1 4.29Å; F450-I452 HydrophobicContact CB-CG1 4.46Å; F450-I452 PolarHBondContact O-N 3.49Å
451	G	96.8	Very high	78.3	Confident	4 Å²	4	45.5 Å²	45.5	4%	0.041	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	22.5	-176.6	0	0	0	0	0	113.7	K142 R327 L447 D448 V449	K142-G451 WeakPolarHBondContact CD-O 3.23Å; R327-G451 VanDerWaalsContact CD-O 3.28Å; R327-G451 WeakPolarHBondContact CD-O 3.43Å; R327-G451 PolarHBondContact NE-O 2.84Å; R327-G451 VanDerWaalsContact NE-O 3.14Å; L447-G451 PolarHBondContact O-N 2.98Å; L447-G451 VanDerWaalsContact O-N 3.08Å; D448-G451 WeakPolarHBondContact O-CA 3.4Å; D448-G451 PolarHBondContact O-N 3Å; V449-G451 PolarHBondContact O-N 3.26Å
452	I	97.1	Very high	75.4	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	24%	0.237	C	C	.	.			trans	-98.4	110.6	174.3	-66.1	169.2	0	0	0	107	E324 R327 M328 L331 L353 L447 F450 L454	E324-I452 HydrophobicContact CB-CG2 4.1Å; E324-I452 HydrophobicContact CG-CG2 4.08Å; R327-I452 HydrophobicContact CB-CD1 4.25Å; R327-I452 HydrophobicContact CB-CG1 3.85Å; M328-I452 HydrophobicContact CB-CD1 4.14Å; M328-I452 HydrophobicContact CE-CD1 4.23Å; L331-I452 HydrophobicContact CD1-CD1 3.68Å; L353-I452 HydrophobicContact CD2-CD1 4.42Å; L353-I452 HydrophobicContact CD2-CG2 3.74Å; L447-I452 CarbonylContact C-O 3.48Å; L447-I452 HydrophobicContact CB-CB 4.13Å; L447-I452 HydrophobicContact CB-CG2 4.27Å; L447-I452 WeakPolarHBondContact CB-O 3.46Å; L447-I452 HydrophobicContact CD1-CG2 4.5Å; L447-I452 HydrophobicContact CD2-CB 4.26Å; L447-I452 HydrophobicContact CD2-CD1 4.16Å; L447-I452 HydrophobicContact CD2-CG2 4.18Å; L447-I452 PolarHBondContact O-N 2.69Å; F450-I452 HydrophobicContact CB-CD1 4.29Å; F450-I452 HydrophobicContact CB-CG1 4.46Å; F450-I452 PolarHBondContact O-N 3.49Å; I452-L454 HydrophobicContact CG2-CD2 3.92Å; I452-L454 HydrophobicContact CG2-CG 4.31Å
453	D	88.4	Confident	72.5	Confident	30 Å²	30	51.6 Å²	51.6	16%	0.16	27%	0.271	C	S	.	.			trans	-102.9	117.7	175.4	-178.3	16.9	0	0	0	110.2	L455 H456	D453-L455 WeakPolarHBondContact OD1-CA 3.38Å; D453-L455 VanDerWaalsContact OD1-CB 3.27Å; D453-L455 WeakPolarHBondContact OD1-CB 3.27Å; D453-L455 PolarHBondContact OD1-N 2.87Å; D453-H456 WeakPolarHBondContact OD2-CB 3.33Å; D453-H456 IonicContact OD2-CD2 2.76Å; D453-H456 PolarHBondContact OD2-CD2 2.97Å; D453-H456 IonicContact OD2-CG 3.72Å; D453-H456 PolarHBondContact OD2-N 3.2Å; D453-H456 IonicContact OD2-NE2 3.77Å
454	L	78.6	Confident	69.8	Low	19 Å²	19	54.1 Å²	54.1	10%	0.099	29%	0.289	C	S	.	.	S	Bend	trans	-93.5	-4.7	175.8	-59.4	-173.6	0	0	0	112.9	L353 I356 R357 I360 L447 I452	L353-L454 HydrophobicContact CD2-CD2 4.16Å; I356-L454 HydrophobicContact CB-CD1 4.49Å; I356-L454 HydrophobicContact CG2-CD1 3.79Å; R357-L454 HydrophobicContact CG-CD1 4.16Å; R357-L454 HydrophobicContact CG-CD2 4.06Å; I360-L454 HydrophobicContact CD1-CD1 3.79Å; L447-L454 HydrophobicContact CD1-CD1 3.28Å; L447-L454 HydrophobicContact CD1-CG 3.8Å; I452-L454 HydrophobicContact CG2-CD2 3.92Å; I452-L454 HydrophobicContact CG2-CG 4.31Å
455	L	62.4	Low	67.6	Low	60 Å²	60	56 Å²	56	31%	0.314	31%	0.312	S	S	.	.	S	Bend	trans	-91.1	-42.6	-179.5	-63.2	174.1	0	0	0	112.4	D453 S457 R458 E459	D453-L455 WeakPolarHBondContact OD1-CA 3.38Å; D453-L455 VanDerWaalsContact OD1-CB 3.27Å; D453-L455 WeakPolarHBondContact OD1-CB 3.27Å; D453-L455 PolarHBondContact OD1-N 2.87Å; L455-S457 PolarHBondContact O-N 3.48Å; L455-R458 WeakPolarHBondContact O-CA 2.84Å; L455-R458 WeakPolarHBondContact O-CB 3.46Å; L455-R458 PolarHBondContact O-N 2.95Å; L455-E459 PolarHBondContact O-N 3.05Å
456	H	49.9	Very low	65.4	Low	113 Å²	113	54.5 Å²	54.5	52%	0.523	30%	0.304	S	S	.	.	H	α-helix	trans	-67.3	-20.5	-178.4	-84.8	-42.8	0	0	0	115	D453 R458 A460	D453-H456 WeakPolarHBondContact OD2-CB 3.33Å; D453-H456 IonicContact OD2-CD2 2.76Å; D453-H456 PolarHBondContact OD2-CD2 2.97Å; D453-H456 IonicContact OD2-CG 3.72Å; D453-H456 PolarHBondContact OD2-N 3.2Å; D453-H456 IonicContact OD2-NE2 3.77Å; H456-R458 PolarHBondContact O-N 2.77Å; H456-R458 VanDerWaalsContact O-N 3.13Å; H456-A460 WeakPolarHBondContact O-CB 3.34Å; H456-A460 PolarHBondContact O-N 3.27Å
457	S	46.5	Very low	63.2	Low	53 Å²	53	54.9 Å²	54.9	37%	0.371	31%	0.309	S	S	.	.	H	α-helix	trans	-63.2	-12	166	168	0	0	0	0	112.8	L455	L455-S457 PolarHBondContact O-N 3.48Å
458	R	40.3	Very low	61.5	Low	102 Å²	102	60.9 Å²	60.9	39%	0.385	34%	0.342	S	S	.	.	H	α-helix	trans	-115.8	-36.4	177.4	-79.9	-178.5	152.6	-177	-7.1	112.9	L455 H456 V462	L455-R458 WeakPolarHBondContact O-CA 2.84Å; L455-R458 WeakPolarHBondContact O-CB 3.46Å; L455-R458 PolarHBondContact O-N 2.95Å; H456-R458 PolarHBondContact O-N 2.77Å; H456-R458 VanDerWaalsContact O-N 3.13Å; R458-V462 WeakPolarHBondContact O-CG2 3.11Å; R458-V462 PolarHBondContact O-N 2.57Å
459	E	33.8	Very low	60.4	Low	109 Å²	109	61.4 Å²	61.4	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-85.4	-30	-175	-78	176.8	179.6	0	0	114.7	L455 D461 V462 L463	L455-E459 PolarHBondContact O-N 3.05Å; E459-D461 PolarHBondContact O-N 3.35Å; E459-V462 PolarHBondContact O-N 3.07Å; E459-L463 PolarHBondContact O-N 2.88Å
460	A	35.6	Very low	59	Low	58 Å²	58	63.1 Å²	63.1	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-29.5	168	0	0	0	0	0	111.2	H456 S464	H456-A460 WeakPolarHBondContact O-CB 3.34Å; H456-A460 PolarHBondContact O-N 3.27Å; A460-S464 PolarHBondContact O-N 2.78Å; A460-S464 VanDerWaalsContact O-N 3.15Å
461	D	37.8	Very low	57.8	Low	52 Å²	52	65.6 Å²	65.6	28%	0.278	37%	0.372	S	S	.	.	H	α-helix	trans	-77.3	-23.4	171.9	-78.7	-15.9	0	0	0	113.6	E459 L463 S464 D466 G467	E459-D461 PolarHBondContact O-N 3.35Å; D461-L463 VanDerWaalsContact C-N 3.34Å; D461-S464 WeakPolarHBondContact CA-OG 3.42Å; D461-S464 PolarHBondContact O-OG 3.04Å; D461-D466 HydrophobicContact CB-CB 4.11Å; D461-D466 CarbonylContact O-C 3.31Å; D461-D466 VanDerWaalsContact O-CB 3.3Å; D461-D466 WeakPolarHBondContact O-CB 3.35Å; D461-G467 PolarHBondContact O-N 2.93Å
462	V	38.1	Very low	57	Low	76 Å²	76	69.6 Å²	69.6	46%	0.461	40%	0.395	S	S	.	.	H	α-helix	trans	-74.9	-26.8	174.6	169.7	0	0	0	0	111.7	R458 E459	R458-V462 WeakPolarHBondContact O-CG2 3.11Å; R458-V462 PolarHBondContact O-N 2.57Å; E459-V462 PolarHBondContact O-N 3.07Å
463	L	35.7	Very low	56.5	Low	163 Å²	163	69.7 Å²	69.7	85%	0.853	40%	0.396	S	S	*	.	H	α-helix	trans	-93.5	-16.7	175.6	-72.4	166.5	0	0	0	113.5	E459 D461	E459-L463 PolarHBondContact O-N 2.88Å; D461-L463 VanDerWaalsContact C-N 3.34Å
464	S	43.2	Very low	56.2	Low	53 Å²	53	71.7 Å²	71.7	37%	0.371	41%	0.405	S	S	.	.	S	Bend	trans	-84.1	173.3	164.1	80.9	0	0	0	0	109.8	A460 D461 D466 G467	A460-S464 PolarHBondContact O-N 2.78Å; A460-S464 VanDerWaalsContact O-N 3.15Å; D461-S464 WeakPolarHBondContact CA-OG 3.42Å; D461-S464 PolarHBondContact O-OG 3.04Å; S464-D466 PolarHBondContact O-N 2.79Å; S464-G467 PolarHBondContact O-N 2.7Å
465	S	50.3	Low	56.5	Low	106 Å²	106	76.2 Å²	76.2	74%	0.741	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-7.9	-176.3	57.1	0	0	0	0	115.5
466	D	50.6	Low	57.7	Low	57 Å²	57	76 Å²	76	31%	0.305	42%	0.424	S	S	.	.	H	α-helix	trans	-79.5	-18.9	-179.2	-92.7	-6.7	0	0	0	115	D461 S464 N468 L469 Q470	D461-D466 HydrophobicContact CB-CB 4.11Å; D461-D466 CarbonylContact O-C 3.31Å; D461-D466 VanDerWaalsContact O-CB 3.3Å; D461-D466 WeakPolarHBondContact O-CB 3.35Å; S464-D466 PolarHBondContact O-N 2.79Å; D466-N468 VanDerWaalsContact C-N 3.27Å; D466-N468 PolarHBondContact O-N 3.38Å; D466-L469 CarbonylContact O-C 3.19Å; D466-L469 WeakPolarHBondContact O-CA 3.36Å; D466-L469 WeakPolarHBondContact O-CB 3.25Å; D466-L469 PolarHBondContact O-N 2.79Å; D466-L469 VanDerWaalsContact OD1-CD2 3.3Å; D466-L469 WeakPolarHBondContact OD1-CD2 3.38Å; D466-Q470 PolarHBondContact O-N 3.36Å
467	G	52	Low	59.5	Low	16 Å²	16	70.7 Å²	70.7	17%	0.165	40%	0.4	C	S	.	.	H	α-helix	trans	-60.9	-38.9	172.6	0	0	0	0	0	112.3	D461 S464 A471	D461-G467 PolarHBondContact O-N 2.93Å; S464-G467 PolarHBondContact O-N 2.7Å; G467-A471 PolarHBondContact O-N 3Å
468	N	61.4	Low	61.3	Low	128 Å²	128	75.1 Å²	75.1	68%	0.684	41%	0.408	S	S	*	.	H	α-helix	trans	-67.5	-37.9	170.6	-78.2	-23.5	0	0	0	111.5	D466 A471 V472	D466-N468 VanDerWaalsContact C-N 3.27Å; D466-N468 PolarHBondContact O-N 3.38Å; N468-A471 PolarHBondContact O-N 2.98Å; N468-V472 WeakPolarHBondContact O-CB 3.4Å; N468-V472 WeakPolarHBondContact O-CG2 3.48Å; N468-V472 PolarHBondContact O-N 3.26Å
469	L	73.3	Confident	63.5	Low	77 Å²	77	76.2 Å²	76.2	40%	0.403	42%	0.416	S	S	.	.	H	α-helix	trans	-63.1	-44.4	177.7	-176.5	64.5	0	0	0	111.5	D466 A471 V472 V473	D466-L469 CarbonylContact O-C 3.19Å; D466-L469 WeakPolarHBondContact O-CA 3.36Å; D466-L469 WeakPolarHBondContact O-CB 3.25Å; D466-L469 PolarHBondContact O-N 2.79Å; D466-L469 VanDerWaalsContact OD1-CD2 3.3Å; D466-L469 WeakPolarHBondContact OD1-CD2 3.38Å; L469-A471 PolarHBondContact O-N 3.08Å; L469-V472 PolarHBondContact O-N 3.15Å; L469-V473 HydrophobicContact CD1-CG2 4.24Å; L469-V473 HydrophobicContact CG-CG2 4.28Å; L469-V473 WeakPolarHBondContact O-CB 3.42Å; L469-V473 WeakPolarHBondContact O-CG2 3.49Å; L469-V473 PolarHBondContact O-N 3.32Å
470	Q	69.8	Low	66.3	Low	46 Å²	46	71.1 Å²	71.1	22%	0.215	39%	0.392	C	S	.	.	H	α-helix	trans	-63.5	-42.5	177.2	-71.6	-172.9	12.2	0	0	112.2	D466 V472 V473 E474 W534 I536	D466-Q470 PolarHBondContact O-N 3.36Å; Q470-V472 VanDerWaalsContact C-N 3.32Å; Q470-V472 PolarHBondContact O-N 2.89Å; Q470-V473 PolarHBondContact O-N 3.01Å; Q470-E474 WeakPolarHBondContact O-CB 3.28Å; Q470-E474 PolarHBondContact O-N 3.36Å; Q470-W534 HydrophobicContact CB-CH2 3.8Å; Q470-W534 HydrophobicContact CB-CZ2 4.39Å; Q470-W534 HydrophobicContact CG-CH2 3.76Å; Q470-W534 HydrophobicContact CG-CZ3 4.35Å; Q470-I536 HydrophobicContact CG-CD1 4.03Å
471	A	72.6	Confident	68.6	Low	54 Å²	54	69 Å²	69	45%	0.446	37%	0.374	S	S	.	.	H	α-helix	trans	-62	-40.9	174.7	0	0	0	0	0	111.6	G467 N468 L469 E474 Q475	G467-A471 PolarHBondContact O-N 3Å; N468-A471 PolarHBondContact O-N 2.98Å; L469-A471 PolarHBondContact O-N 3.08Å; A471-E474 PolarHBondContact O-N 3.44Å; A471-Q475 WeakPolarHBondContact O-CG 3.4Å; A471-Q475 PolarHBondContact O-N 3.37Å
472	V	80.2	Confident	70.9	Confident	87 Å²	87	71 Å²	71	53%	0.527	38%	0.382	S	S	.	.	H	α-helix	trans	-65	-45.4	175.1	168.7	0	0	0	0	111.2	N468 L469 Q470 E474 Q475 L476	N468-V472 WeakPolarHBondContact O-CB 3.4Å; N468-V472 WeakPolarHBondContact O-CG2 3.48Å; N468-V472 PolarHBondContact O-N 3.26Å; L469-V472 PolarHBondContact O-N 3.15Å; Q470-V472 VanDerWaalsContact C-N 3.32Å; Q470-V472 PolarHBondContact O-N 2.89Å; V472-E474 VanDerWaalsContact C-N 3.32Å; V472-E474 PolarHBondContact O-N 3.44Å; V472-Q475 PolarHBondContact O-N 3.2Å; V472-L476 WeakPolarHBondContact O-CB 3.47Å; V472-L476 PolarHBondContact O-N 2.98Å
473	V	85.6	Confident	73.3	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.024	37%	0.369	C	S	.	.	H	α-helix	trans	-63.7	-38.5	178.1	171.7	0	0	0	0	111	L469 Q470 L476 T477 V523 W534	L469-V473 HydrophobicContact CD1-CG2 4.24Å; L469-V473 HydrophobicContact CG-CG2 4.28Å; L469-V473 WeakPolarHBondContact O-CB 3.42Å; L469-V473 WeakPolarHBondContact O-CG2 3.49Å; L469-V473 PolarHBondContact O-N 3.32Å; Q470-V473 PolarHBondContact O-N 3.01Å; V473-L476 PolarHBondContact O-N 3.1Å; V473-T477 VanDerWaalsContact O-CB 3.26Å; V473-T477 WeakPolarHBondContact O-CB 3.32Å; V473-T477 PolarHBondContact O-N 3.17Å; V473-T477 PolarHBondContact O-OG1 3.01Å; V473-V523 HydrophobicContact CG1-CG1 3.57Å; V473-V523 HydrophobicContact CG1-CG2 4.42Å; V473-V523 HydrophobicContact CG2-CG2 4.05Å; V473-W534 HydrophobicContact CG1-CB 4.4Å; V473-W534 HydrophobicContact CG1-CD2 3.49Å; V473-W534 VanDerWaalsContact CG1-CD2 3.49Å; V473-W534 HydrophobicContact CG1-CE3 3.69Å; V473-W534 HydrophobicContact CG1-CG 3.81Å; V473-W534 HydrophobicContact CG1-CZ2 4.36Å; V473-W534 HydrophobicContact CG1-CZ3 4.23Å
474	E	82.8	Confident	75.7	Confident	73 Å²	73	63.9 Å²	63.9	34%	0.341	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-51	173.1	-177.9	71.2	-161.3	0	0	111.1	Q470 A471 V472 L476 T477 R478 W534	Q470-E474 WeakPolarHBondContact O-CB 3.28Å; Q470-E474 PolarHBondContact O-N 3.36Å; A471-E474 PolarHBondContact O-N 3.44Å; V472-E474 VanDerWaalsContact C-N 3.32Å; V472-E474 PolarHBondContact O-N 3.44Å; E474-L476 VanDerWaalsContact C-N 3.31Å; E474-L476 PolarHBondContact O-N 3.09Å; E474-T477 PolarHBondContact O-N 3.24Å; E474-R478 WeakPolarHBondContact O-CB 3.36Å; E474-R478 PolarHBondContact O-N 3.31Å; E474-W534 HydrophobicContact CB-CZ2 4.29Å; E474-W534 PolarHBondContact OE2-NE1 3.38Å
475	Q	84.1	Confident	77.7	Confident	114 Å²	114	65.8 Å²	65.8	53%	0.533	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-39.4	177.9	-68.2	-52.4	-44.8	0	0	112.2	A471 V472 R478 F479	A471-Q475 WeakPolarHBondContact O-CG 3.4Å; A471-Q475 PolarHBondContact O-N 3.37Å; V472-Q475 PolarHBondContact O-N 3.2Å; Q475-R478 PolarHBondContact O-N 3Å; Q475-F479 WeakPolarHBondContact O-CB 3.19Å; Q475-F479 PolarHBondContact O-N 3.38Å
476	L	88.6	Confident	79.3	Confident	54 Å²	54	66.1 Å²	66.1	28%	0.283	33%	0.33	S	S	.	.	H	α-helix	trans	-67.7	-41	178.4	-173.2	63.4	0	0	0	111.7	V472 V473 E474 R480 L514 L518	V472-L476 WeakPolarHBondContact O-CB 3.47Å; V472-L476 PolarHBondContact O-N 2.98Å; V473-L476 PolarHBondContact O-N 3.1Å; E474-L476 VanDerWaalsContact C-N 3.31Å; E474-L476 PolarHBondContact O-N 3.09Å; L476-R480 VanDerWaalsContact O-CB 3.3Å; L476-R480 WeakPolarHBondContact O-CB 3.3Å; L476-R480 PolarHBondContact O-N 2.89Å; L476-L514 HydrophobicContact CD1-CD2 3.97Å; L476-L514 HydrophobicContact CD2-CD1 4.24Å; L476-L514 HydrophobicContact CG-CD2 4.13Å; L476-L518 HydrophobicContact CD2-CD1 3.86Å; L476-L518 HydrophobicContact CD2-CD2 4.08Å; L476-L518 HydrophobicContact CD2-CG 4.49Å; L476-L518 HydrophobicContact CG-CD1 4.49Å
477	T	86.8	Confident	80.9	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.018	32%	0.317	C	S	.	.	H	α-helix	trans	-66.7	-39	175.7	-58.6	0	0	0	0	111	V473 E474 S481 I525	V473-T477 VanDerWaalsContact O-CB 3.26Å; V473-T477 WeakPolarHBondContact O-CB 3.32Å; V473-T477 PolarHBondContact O-N 3.17Å; V473-T477 PolarHBondContact O-OG1 3.01Å; E474-T477 PolarHBondContact O-N 3.24Å; T477-S481 WeakPolarHBondContact O-CB 3.26Å; T477-S481 PolarHBondContact O-N 2.75Å; T477-S481 PolarHBondContact O-OG 2.96Å; T477-I525 HydrophobicContact CG2-CD1 4.41Å; T477-I525 HydrophobicContact CG2-CG2 4.24Å
478	R	84.3	Confident	82.3	Confident	145 Å²	145	66.3 Å²	66.3	55%	0.547	33%	0.327	S	S	.	.	H	α-helix	trans	-62.5	-54.1	173.5	180	-178.4	173	167.4	2.4	111.4	E474 Q475 R480 S481 E482	E474-R478 WeakPolarHBondContact O-CB 3.36Å; E474-R478 PolarHBondContact O-N 3.31Å; Q475-R478 PolarHBondContact O-N 3Å; R478-R480 VanDerWaalsContact C-N 3.32Å; R478-R480 PolarHBondContact O-N 3.38Å; R478-S481 WeakPolarHBondContact O-CA 3.44Å; R478-S481 WeakPolarHBondContact O-CB 3.46Å; R478-S481 PolarHBondContact O-N 3.06Å; R478-E482 WeakPolarHBondContact CG-OE1 3.3Å; R478-E482 IonicContact CZ-OE1 3.77Å; R478-E482 IonicContact NE-OE1 2.7Å; R478-E482 PolarHBondContact NE-OE1 3.28Å; R478-E482 IonicContact NH2-OE1 2.65Å; R478-E482 PolarHBondContact O-N 3.32Å
479	F	87.8	Confident	83.1	Confident	125 Å²	125	63.7 Å²	63.7	55%	0.548	32%	0.316	S	S	.	.	H	α-helix	trans	-54.8	-47.4	177.4	172.5	-100.8	0	0	0	111.6	Q475 S481 E482 V483	Q475-F479 WeakPolarHBondContact O-CB 3.19Å; Q475-F479 PolarHBondContact O-N 3.38Å; F479-S481 VanDerWaalsContact C-N 3.28Å; F479-S481 PolarHBondContact O-N 2.73Å; F479-E482 PolarHBondContact O-N 2.89Å; F479-V483 HydrophobicContact CD1-CG2 4.36Å; F479-V483 HydrophobicContact CD2-CG2 4.33Å; F479-V483 HydrophobicContact CE1-CG2 3.92Å; F479-V483 HydrophobicContact CE2-CG2 3.9Å; F479-V483 HydrophobicContact CZ-CG2 3.68Å; F479-V483 WeakPolarHBondContact O-CG2 3.49Å; F479-V483 PolarHBondContact O-N 2.99Å
480	R	91.5	Very high	82.7	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-57.6	-42.2	174.9	-179.7	-168	159.7	-90.6	0.1	111.7	L476 R478 V483 R484 C511 L514 D527 S532	L476-R480 VanDerWaalsContact O-CB 3.3Å; L476-R480 WeakPolarHBondContact O-CB 3.3Å; L476-R480 PolarHBondContact O-N 2.89Å; R478-R480 VanDerWaalsContact C-N 3.32Å; R478-R480 PolarHBondContact O-N 3.38Å; R480-V483 PolarHBondContact O-N 3.28Å; R480-R484 WeakPolarHBondContact O-CB 3.39Å; R480-R484 PolarHBondContact O-N 3.48Å; R480-C511 HydrophobicContact CG-CB 4.03Å; R480-C511 PolarHBondContact NE-O 3.4Å; R480-L514 HydrophobicContact CB-CD2 4.12Å; R480-L514 HydrophobicContact CG-CD2 4.3Å; R480-D527 IonicContact CZ-OD1 3.24Å; R480-D527 IonicContact NH1-OD1 3.55Å; R480-D527 PolarHBondContact NH1-OD1 3.42Å; R480-D527 IonicContact NH2-OD1 3.75Å; R480-D527 PolarHBondContact NH2-OD1 3.39Å; R480-D527 IonicContact NH2-OD2 3.77Å; R480-D527 PolarHBondContact NH2-OD2 3.09Å; R480-S532 PolarHBondContact NH1-OG 3.24Å
481	S	85.3	Confident	82.1	Confident	15 Å²	15	69.7 Å²	69.7	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-64.2	-44.6	179.8	-57.3	0	0	0	0	111.2	T477 R478 F479 R484 E485 S532	T477-S481 WeakPolarHBondContact O-CB 3.26Å; T477-S481 PolarHBondContact O-N 2.75Å; T477-S481 PolarHBondContact O-OG 2.96Å; R478-S481 WeakPolarHBondContact O-CA 3.44Å; R478-S481 WeakPolarHBondContact O-CB 3.46Å; R478-S481 PolarHBondContact O-N 3.06Å; F479-S481 VanDerWaalsContact C-N 3.28Å; F479-S481 PolarHBondContact O-N 2.73Å; S481-R484 PolarHBondContact O-N 2.72Å; S481-E485 VanDerWaalsContact O-CB 3.3Å; S481-E485 WeakPolarHBondContact O-CB 3.31Å; S481-E485 PolarHBondContact O-N 3.47Å; S481-S532 WeakPolarHBondContact OG-CB 3.39Å; S481-S532 PolarHBondContact OG-OG 3.38Å
482	E	84.9	Confident	80.8	Confident	93 Å²	93	75.7 Å²	75.7	44%	0.435	37%	0.366	S	S	.	.	H	α-helix	trans	-61.5	-44.5	176.4	-68.1	171.8	-174.8	0	0	111.5	R478 F479 E485 F486	R478-E482 WeakPolarHBondContact CG-OE1 3.3Å; R478-E482 IonicContact CZ-OE1 3.77Å; R478-E482 IonicContact NE-OE1 2.7Å; R478-E482 PolarHBondContact NE-OE1 3.28Å; R478-E482 IonicContact NH2-OE1 2.65Å; R478-E482 PolarHBondContact O-N 3.32Å; F479-E482 PolarHBondContact O-N 2.89Å; E482-E485 PolarHBondContact O-N 3.04Å; E482-F486 WeakPolarHBondContact O-CB 3.23Å; E482-F486 PolarHBondContact O-N 3.15Å
483	V	88.1	Confident	79.2	Confident	32 Å²	32	75.2 Å²	75.2	19%	0.194	37%	0.367	C	S	.	.	H	α-helix	trans	-65.3	-42.6	176.6	174.9	0	0	0	0	111.7	F479 R480 A487 L507	F479-V483 HydrophobicContact CD1-CG2 4.36Å; F479-V483 HydrophobicContact CD2-CG2 4.33Å; F479-V483 HydrophobicContact CE1-CG2 3.92Å; F479-V483 HydrophobicContact CE2-CG2 3.9Å; F479-V483 HydrophobicContact CZ-CG2 3.68Å; F479-V483 WeakPolarHBondContact O-CG2 3.49Å; F479-V483 PolarHBondContact O-N 2.99Å; R480-V483 PolarHBondContact O-N 3.28Å; V483-A487 WeakPolarHBondContact O-CB 3.29Å; V483-A487 PolarHBondContact O-N 2.89Å; V483-L507 HydrophobicContact CG1-CB 4.16Å; V483-L507 HydrophobicContact CG1-CD2 4.3Å
484	R	87.1	Confident	77.4	Confident	57 Å²	57	84.7 Å²	84.7	22%	0.215	41%	0.411	C	S	.	.	H	α-helix	trans	-64.5	-44.1	177.6	-179.2	-178.3	174.8	91.7	1.1	110.9	R480 S481 A487 L488 L508 D512	R480-R484 WeakPolarHBondContact O-CB 3.39Å; R480-R484 PolarHBondContact O-N 3.48Å; S481-R484 PolarHBondContact O-N 2.72Å; R484-A487 PolarHBondContact O-N 2.83Å; R484-L488 HydrophobicContact CG-CD1 3.92Å; R484-L488 VanDerWaalsContact O-CG 3.24Å; R484-L488 WeakPolarHBondContact O-CG 3.33Å; R484-L488 PolarHBondContact O-N 3.17Å; R484-L508 HydrophobicContact CG-CD2 4.2Å; R484-D512 IonicContact NH1-OD1 3.84Å
485	E	84.5	Confident	75.6	Confident	93 Å²	93	88.4 Å²	88.4	44%	0.435	43%	0.433	S	S	.	.	H	α-helix	trans	-61.3	-49.3	177.4	-174.3	174.3	-167.2	0	0	110.8	S481 E482 A487 L488 T489 T530	S481-E485 VanDerWaalsContact O-CB 3.3Å; S481-E485 WeakPolarHBondContact O-CB 3.31Å; S481-E485 PolarHBondContact O-N 3.47Å; E482-E485 PolarHBondContact O-N 3.04Å; E485-A487 VanDerWaalsContact C-N 3.29Å; E485-A487 PolarHBondContact O-N 3.4Å; E485-L488 CarbonylContact O-C 3.42Å; E485-L488 WeakPolarHBondContact O-CA 3.37Å; E485-L488 PolarHBondContact O-N 3.09Å; E485-T489 PolarHBondContact O-N 2.79Å; E485-T489 PolarHBondContact O-OG1 3.17Å; E485-T530 HydrophobicContact CG-CG2 4.44Å
486	F	84.4	Confident	73.9	Confident	114 Å²	114	93.3 Å²	93.3	50%	0.5	45%	0.452	S	S	.	.	H	α-helix	trans	-56.9	-40.8	174.8	175.3	-97.1	0	0	0	112.7	E482 L488 T489 R504 L507	E482-F486 WeakPolarHBondContact O-CB 3.23Å; E482-F486 PolarHBondContact O-N 3.15Å; F486-L488 PolarHBondContact O-N 2.9Å; F486-T489 WeakPolarHBondContact CA-OG1 3.31Å; F486-T489 PolarHBondContact O-N 3.36Å; F486-R504 PolarHBondContact O-NH1 3.48Å; F486-L507 HydrophobicContact CD1-CD1 4.15Å; F486-L507 HydrophobicContact CE1-CD1 4.24Å
487	A	84.7	Confident	71.9	Confident	3 Å²	3	99.4 Å²	99.4	3%	0.025	48%	0.477	C	S	.	.	H	α-helix	trans	-67.4	-26.8	177.8	0	0	0	0	0	112.8	V483 R484 E485 R504 L507 L508	V483-A487 WeakPolarHBondContact O-CB 3.29Å; V483-A487 PolarHBondContact O-N 2.89Å; R484-A487 PolarHBondContact O-N 2.83Å; E485-A487 VanDerWaalsContact C-N 3.29Å; E485-A487 PolarHBondContact O-N 3.4Å; A487-R504 HydrophobicContact CB-CB 4.4Å; A487-L507 HydrophobicContact CB-CB 4.05Å; A487-L507 HydrophobicContact CB-CD1 4.46Å; A487-L508 HydrophobicContact CB-CD2 3.76Å; A487-L508 HydrophobicContact CB-CG 3.84Å
488	L	81.7	Confident	70.2	Confident	74 Å²	74	104.6 Å²	104.6	39%	0.387	51%	0.513	S	S	.	.	H	α-helix	trans	-92.8	-15.6	178.1	-65.9	171	0	0	0	113.5	R484 E485 F486 H490 L500 L508	R484-L488 HydrophobicContact CG-CD1 3.92Å; R484-L488 VanDerWaalsContact O-CG 3.24Å; R484-L488 WeakPolarHBondContact O-CG 3.33Å; R484-L488 PolarHBondContact O-N 3.17Å; E485-L488 CarbonylContact O-C 3.42Å; E485-L488 WeakPolarHBondContact O-CA 3.37Å; E485-L488 PolarHBondContact O-N 3.09Å; F486-L488 PolarHBondContact O-N 2.9Å; L488-H490 PolarHBondContact O-N 2.85Å; L488-L500 HydrophobicContact CD2-CD2 4.16Å; L488-L508 HydrophobicContact CD2-CD1 4.2Å; L488-L508 HydrophobicContact CD2-CD2 4.08Å; L488-L508 HydrophobicContact CG-CD2 4.09Å
489	T	77.3	Confident	68.8	Low	73 Å²	73	103.4 Å²	103.4	45%	0.448	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-73.1	118	-179.5	-30.8	0	0	0	0	111.2	E485 F486 R504	E485-T489 PolarHBondContact O-N 2.79Å; E485-T489 PolarHBondContact O-OG1 3.17Å; F486-T489 WeakPolarHBondContact CA-OG1 3.31Å; F486-T489 PolarHBondContact O-N 3.36Å; T489-R504 PolarHBondContact O-NH1 3.12Å
490	H	65.9	Low	67.5	Low	116 Å²	116	101 Å²	101	54%	0.537	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-74.5	129.5	168.6	-69.8	-78	0	0	0	109.7	L488	L488-H490 PolarHBondContact O-N 2.85Å
491	Q	55.3	Low	66.2	Low	133 Å²	133	104.3 Å²	104.3	62%	0.621	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-86.3	131.4	167.1	-89	-175.1	-32.7	0	0	108.5	S493 Y501	Q491-S493 VanDerWaalsContact C-N 3.31Å; Q491-S493 PolarHBondContact O-N 3.23Å; Q491-S493 PolarHBondContact O-OG 3.3Å; Q491-Y501 PolarHBondContact O-OH 3.1Å
492	D	46.9	Very low	65.5	Low	179 Å²	179	108 Å²	108	96%	0.957	55%	0.547	S	S	*	.			trans	-50.6	91.7	173.5	-83.2	-37.1	0	0	0	111
493	S	45.6	Very low	65.2	Low	77 Å²	77	110.4 Å²	110.4	54%	0.538	56%	0.563	S	S	.	*			trans	-122	124	167.6	-42	0	0	0	0	104.5	Q491 D495 Y501	Q491-S493 VanDerWaalsContact C-N 3.31Å; Q491-S493 PolarHBondContact O-N 3.23Å; Q491-S493 PolarHBondContact O-OG 3.3Å; S493-D495 PolarHBondContact O-N 2.67Å; S493-Y501 PolarHBondContact OG-OH 3.13Å
494	Q	47.3	Very low	64.9	Low	203 Å²	203	110.2 Å²	110.2	95%	0.949	56%	0.559	S	S	*	*	S	Bend	trans	-60.9	15.3	-165.1	-75.9	-177.5	-32.8	0	0	117.4
495	D	46.5	Very low	64.7	Low	151 Å²	151	110.9 Å²	110.9	81%	0.807	57%	0.566	S	S	*	*			trans	-110.3	111.5	177.9	-88.2	-39.5	0	0	0	112.5	S493 K497	S493-D495 PolarHBondContact O-N 2.67Å; D495-K497 VanDerWaalsContact C-N 3.27Å; D495-K497 PolarHBondContact O-N 2.93Å
496	K	47.2	Very low	64.9	Low	217 Å²	217	110 Å²	110	94%	0.943	57%	0.568	S	S	*	*			trans	-66.7	75.3	173.7	-72.1	178.1	175	176.2	0	111.6
497	K	46.7	Very low	65.1	Low	182 Å²	182	107.5 Å²	107.5	79%	0.791	56%	0.559	S	S	*	*			trans	-132.1	125.4	156.8	-86.7	-173.9	176.6	176.5	0	110.9	D495 D499	D495-K497 VanDerWaalsContact C-N 3.27Å; D495-K497 PolarHBondContact O-N 2.93Å; K497-D499 PolarHBondContact O-N 3.19Å
498	S	50.5	Low	65.3	Low	112 Å²	112	108.5 Å²	108.5	78%	0.783	56%	0.564	S	S	*	*			trans	-78.7	43.9	-166.4	67.2	0	0	0	0	114.2
499	D	55.3	Low	65.6	Low	121 Å²	121	111.6 Å²	111.6	65%	0.647	58%	0.575	S	S	*	*			trans	-109.5	131.7	-177.6	-69.6	-33.1	0	0	0	110.9	K497 Y501	K497-D499 PolarHBondContact O-N 3.19Å; D499-Y501 PolarHBondContact O-N 3.13Å
500	L	59.9	Low	66.2	Low	73 Å²	73	111.7 Å²	111.7	38%	0.382	58%	0.578	S	S	.	*			trans	-53.6	136.2	167.6	-72.7	160.9	0	0	0	108.5	L488 P502 L508	L488-L500 HydrophobicContact CD2-CD2 4.16Å; L500-P502 WeakPolarHBondContact O-CD 3.11Å; L500-P502 VanDerWaalsContact O-N 3.13Å; L500-L508 HydrophobicContact CD1-CD1 4.04Å; L500-L508 HydrophobicContact CD2-CD1 4.3Å
501	Y	65.5	Low	67.4	Low	72 Å²	72	106.4 Å²	106.4	28%	0.282	55%	0.554	S	S	.	*			trans	-53.8	122.9	174.7	-69.2	-84.4	0	0	0	109.3	Q491 S493 D499 D503 R504	Q491-Y501 PolarHBondContact O-OH 3.1Å; S493-Y501 PolarHBondContact OG-OH 3.13Å; D499-Y501 PolarHBondContact O-N 3.13Å; Y501-D503 PolarHBondContact O-N 3.34Å; Y501-R504 PolarHBondContact O-N 2.98Å
502	P	70.3	Confident	69	Low	94 Å²	94	102.4 Å²	102.4	61%	0.61	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-51	-35.9	-177.7	-28.1	33.8	0	0	0	112.6	L500 R504 I505	L500-P502 WeakPolarHBondContact O-CD 3.11Å; L500-P502 VanDerWaalsContact O-N 3.13Å; P502-R504 VanDerWaalsContact C-N 3.25Å; P502-R504 PolarHBondContact O-N 3.06Å; P502-I505 WeakPolarHBondContact O-CB 3.45Å; P502-I505 PolarHBondContact O-N 2.96Å
503	D	77.6	Confident	71.2	Confident	142 Å²	142	97.5 Å²	97.5	76%	0.759	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-71.6	-16.2	-177.8	-54.2	-23	0	0	0	113.6	Y501 P506	Y501-D503 PolarHBondContact O-N 3.34Å; D503-P506 WeakPolarHBondContact O-CD 3.27Å
504	R	82.4	Confident	73.2	Confident	29 Å²	29	96.1 Å²	96.1	11%	0.109	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-98.2	-12.2	178.7	-59.9	-171.4	-170	178.4	9.8	113.4	F486 A487 T489 Y501 P502 P506 L507 L508	F486-R504 PolarHBondContact O-NH1 3.48Å; A487-R504 HydrophobicContact CB-CB 4.4Å; T489-R504 PolarHBondContact O-NH1 3.12Å; Y501-R504 PolarHBondContact O-N 2.98Å; P502-R504 VanDerWaalsContact C-N 3.25Å; P502-R504 PolarHBondContact O-N 3.06Å; R504-P506 VanDerWaalsContact C-CD 3.42Å; R504-P506 VanDerWaalsContact C-N 3.33Å; R504-L507 WeakPolarHBondContact O-CB 3.34Å; R504-L507 PolarHBondContact O-N 3.49Å; R504-L508 PolarHBondContact O-N 2.68Å
505	I	82.6	Confident	75.3	Confident	71 Å²	71	90.3 Å²	90.3	36%	0.364	47%	0.469	S	S	.	.	H	α-helix	trans	-55.2	-40.4	174.3	-62.7	174.9	0	0	0	112.5	P502 L507 L508 K509	P502-I505 WeakPolarHBondContact O-CB 3.45Å; P502-I505 PolarHBondContact O-N 2.96Å; I505-L507 VanDerWaalsContact C-N 3.27Å; I505-L507 PolarHBondContact O-N 2.55Å; I505-L508 PolarHBondContact O-N 3.34Å; I505-K509 HydrophobicContact CG2-CD 4.48Å; I505-K509 PolarHBondContact O-N 3.2Å; I505-K509 VanDerWaalsContact O-N 3.07Å
506	P	89.3	Confident	77.3	Confident	74 Å²	74	89.6 Å²	89.6	48%	0.481	46%	0.459	S	S	.	.	H	α-helix	trans	-59.7	-34.3	175.4	-25.2	35.9	0	0	0	113.6	D503 R504 K509 S510	D503-P506 WeakPolarHBondContact O-CD 3.27Å; R504-P506 VanDerWaalsContact C-CD 3.42Å; R504-P506 VanDerWaalsContact C-N 3.33Å; P506-K509 PolarHBondContact O-N 3.3Å; P506-S510 PolarHBondContact O-N 3.04Å; P506-S510 PolarHBondContact O-OG 3.19Å; P506-S510 VanDerWaalsContact O-OG 3.09Å
507	L	89	Confident	79.3	Confident	61 Å²	61	83.2 Å²	83.2	32%	0.319	44%	0.435	S	S	.	.	H	α-helix	trans	-66.9	-42	178.4	-61.6	174.5	0	0	0	111.5	V483 F486 A487 R504 I505 S510 C511	V483-L507 HydrophobicContact CG1-CB 4.16Å; V483-L507 HydrophobicContact CG1-CD2 4.3Å; F486-L507 HydrophobicContact CD1-CD1 4.15Å; F486-L507 HydrophobicContact CE1-CD1 4.24Å; A487-L507 HydrophobicContact CB-CB 4.05Å; A487-L507 HydrophobicContact CB-CD1 4.46Å; R504-L507 WeakPolarHBondContact O-CB 3.34Å; R504-L507 PolarHBondContact O-N 3.49Å; I505-L507 VanDerWaalsContact C-N 3.27Å; I505-L507 PolarHBondContact O-N 2.55Å; L507-S510 PolarHBondContact O-N 3.34Å; L507-C511 PolarHBondContact O-N 2.75Å; L507-C511 PolarHBondContact O-SG 3.11Å
508	L	87.8	Confident	81.1	Confident	24 Å²	24	75.2 Å²	75.2	13%	0.126	40%	0.401	C	S	.	.	H	α-helix	trans	-63.4	-43.2	174.7	-69	175.1	0	0	0	111.4	R484 A487 L488 L500 R504 I505 S510 C511 D512	R484-L508 HydrophobicContact CG-CD2 4.2Å; A487-L508 HydrophobicContact CB-CD2 3.76Å; A487-L508 HydrophobicContact CB-CG 3.84Å; L488-L508 HydrophobicContact CD2-CD1 4.2Å; L488-L508 HydrophobicContact CD2-CD2 4.08Å; L488-L508 HydrophobicContact CG-CD2 4.09Å; L500-L508 HydrophobicContact CD1-CD1 4.04Å; L500-L508 HydrophobicContact CD2-CD1 4.3Å; R504-L508 PolarHBondContact O-N 2.68Å; I505-L508 PolarHBondContact O-N 3.34Å; L508-S510 VanDerWaalsContact C-N 3.35Å; L508-S510 PolarHBondContact O-N 3.45Å; L508-C511 PolarHBondContact O-N 2.9Å; L508-D512 PolarHBondContact O-N 3.3Å
509	K	89.1	Confident	82.7	Confident	140 Å²	140	72.2 Å²	72.2	61%	0.609	38%	0.383	S	S	*	.	H	α-helix	trans	-58.5	-45.8	174.3	-74.3	-178.9	179.1	177.9	0	111.5	I505 P506 C511 D512 T513	I505-K509 HydrophobicContact CG2-CD 4.48Å; I505-K509 PolarHBondContact O-N 3.2Å; I505-K509 VanDerWaalsContact O-N 3.07Å; P506-K509 PolarHBondContact O-N 3.3Å; K509-C511 PolarHBondContact O-N 3.46Å; K509-D512 PolarHBondContact O-N 3.38Å; K509-T513 PolarHBondContact O-N 3.39Å; K509-T513 PolarHBondContact O-OG1 3.37Å; K509-T513 VanDerWaalsContact O-OG1 3.08Å
510	S	88.9	Confident	83.9	Confident	74 Å²	74	73.2 Å²	73.2	52%	0.517	39%	0.387	S	S	.	.	H	α-helix	trans	-62.3	-40.2	176.7	-63.6	0	0	0	0	112.6	P506 L507 L508 D512 T513 L514	P506-S510 PolarHBondContact O-N 3.04Å; P506-S510 PolarHBondContact O-OG 3.19Å; P506-S510 VanDerWaalsContact O-OG 3.09Å; L507-S510 PolarHBondContact O-N 3.34Å; L508-S510 VanDerWaalsContact C-N 3.35Å; L508-S510 PolarHBondContact O-N 3.45Å; S510-D512 VanDerWaalsContact C-N 3.32Å; S510-D512 PolarHBondContact O-N 2.89Å; S510-T513 PolarHBondContact O-N 2.82Å; S510-L514 WeakPolarHBondContact O-CB 3.34Å; S510-L514 PolarHBondContact O-N 3.07Å
511	C	91.4	Very high	84.9	Confident	5 Å²	5	75.9 Å²	75.9	3%	0.034	40%	0.402	C	S	.	.	H	α-helix	trans	-64.7	-35	175.4	-68.6	0	0	0	0	112.8	R480 L507 L508 K509 R515	R480-C511 HydrophobicContact CG-CB 4.03Å; R480-C511 PolarHBondContact NE-O 3.4Å; L507-C511 PolarHBondContact O-N 2.75Å; L507-C511 PolarHBondContact O-SG 3.11Å; L508-C511 PolarHBondContact O-N 2.9Å; K509-C511 PolarHBondContact O-N 3.46Å; C511-R515 WeakPolarHBondContact O-CB 3.25Å; C511-R515 PolarHBondContact O-N 3.04Å
512	D	90.1	Very high	85.5	Confident	50 Å²	50	72.7 Å²	72.7	27%	0.267	39%	0.391	S	S	.	.	H	α-helix	trans	-74.9	-39.2	176.3	-83.1	-30.4	0	0	0	112.5	R484 L508 K509 S510 R515 K516	R484-D512 IonicContact NH1-OD1 3.84Å; L508-D512 PolarHBondContact O-N 3.3Å; K509-D512 PolarHBondContact O-N 3.38Å; S510-D512 VanDerWaalsContact C-N 3.32Å; S510-D512 PolarHBondContact O-N 2.89Å; D512-R515 PolarHBondContact O-N 2.82Å; D512-R515 IonicContact OD1-CZ 4Å; D512-R515 IonicContact OD1-NE 3.93Å; D512-R515 IonicContact OD1-NH2 3.59Å; D512-R515 PolarHBondContact OD1-NH2 2.72Å; D512-K516 WeakPolarHBondContact O-CG 3.41Å; D512-K516 PolarHBondContact O-N 3.15Å
513	T	91.6	Very high	86.2	Confident	75 Å²	75	68.6 Å²	68.6	46%	0.46	36%	0.364	S	S	.	.	H	α-helix	trans	-59.3	-51.2	172.2	-62.3	0	0	0	0	110.2	K509 S510 R515 K516 D517	K509-T513 PolarHBondContact O-N 3.39Å; K509-T513 PolarHBondContact O-OG1 3.37Å; K509-T513 VanDerWaalsContact O-OG1 3.08Å; S510-T513 PolarHBondContact O-N 2.82Å; T513-R515 VanDerWaalsContact C-N 3.3Å; T513-R515 PolarHBondContact O-N 3.37Å; T513-K516 WeakPolarHBondContact O-CB 3.32Å; T513-K516 PolarHBondContact O-N 2.93Å; T513-D517 WeakPolarHBondContact CG2-OD2 3.4Å; T513-D517 VanDerWaalsContact O-CG 3.26Å; T513-D517 PolarHBondContact O-N 3.38Å
514	L	88.6	Confident	86.5	Confident	49 Å²	49	63.6 Å²	63.6	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-56.7	-42.7	177.9	-176.6	63.4	0	0	0	112.3	L476 R480 S510 K516 D517 L518	L476-L514 HydrophobicContact CD1-CD2 3.97Å; L476-L514 HydrophobicContact CD2-CD1 4.24Å; L476-L514 HydrophobicContact CG-CD2 4.13Å; R480-L514 HydrophobicContact CB-CD2 4.12Å; R480-L514 HydrophobicContact CG-CD2 4.3Å; S510-L514 WeakPolarHBondContact O-CB 3.34Å; S510-L514 PolarHBondContact O-N 3.07Å; L514-K516 PolarHBondContact O-N 3.29Å; L514-D517 PolarHBondContact O-N 3.33Å; L514-L518 HydrophobicContact CD1-CD1 4.11Å; L514-L518 HydrophobicContact CD1-CG 4.23Å; L514-L518 HydrophobicContact CG-CD1 3.98Å; L514-L518 HydrophobicContact CG-CG 4.48Å; L514-L518 VanDerWaalsContact O-CB 3.28Å; L514-L518 WeakPolarHBondContact O-CB 3.36Å; L514-L518 VanDerWaalsContact O-CG 3.24Å; L514-L518 WeakPolarHBondContact O-CG 3.42Å; L514-L518 PolarHBondContact O-N 3.12Å
515	R	91.1	Very high	86.7	Confident	81 Å²	81	62.7 Å²	62.7	31%	0.306	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-40.8	176.1	175.5	174.9	63.4	160	7.7	112.3	C511 D512 T513 A519 I525 D527	C511-R515 WeakPolarHBondContact O-CB 3.25Å; C511-R515 PolarHBondContact O-N 3.04Å; D512-R515 PolarHBondContact O-N 2.82Å; D512-R515 IonicContact OD1-CZ 4Å; D512-R515 IonicContact OD1-NE 3.93Å; D512-R515 IonicContact OD1-NH2 3.59Å; D512-R515 PolarHBondContact OD1-NH2 2.72Å; T513-R515 VanDerWaalsContact C-N 3.3Å; T513-R515 PolarHBondContact O-N 3.37Å; R515-A519 WeakPolarHBondContact O-CB 3.48Å; R515-A519 PolarHBondContact O-N 3.04Å; R515-A519 VanDerWaalsContact O-N 3.14Å; R515-I525 HydrophobicContact CG-CB 4.21Å; R515-D527 IonicContact CZ-OD2 2.96Å; R515-D527 IonicContact NE-OD2 3.76Å; R515-D527 IonicContact NH1-OD2 3.73Å; R515-D527 PolarHBondContact NH1-OD2 2.92Å
516	K	88.3	Confident	86.7	Confident	136 Å²	136	63 Å²	63	59%	0.591	33%	0.334	S	S	*	.	H	α-helix	trans	-68.3	-44.8	178.3	-73.5	173.9	-178.1	178	0	111.4	D512 T513 L514 A519 L520	D512-K516 WeakPolarHBondContact O-CG 3.41Å; D512-K516 PolarHBondContact O-N 3.15Å; T513-K516 WeakPolarHBondContact O-CB 3.32Å; T513-K516 PolarHBondContact O-N 2.93Å; L514-K516 PolarHBondContact O-N 3.29Å; K516-A519 WeakPolarHBondContact O-CB 3.43Å; K516-A519 PolarHBondContact O-N 2.64Å; K516-L520 PolarHBondContact O-N 3.47Å
517	D	88.9	Confident	86.2	Confident	82 Å²	82	61.6 Å²	61.6	44%	0.439	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-43.6	-178.9	-64.2	-14.1	0	0	0	110.9	T513 L514 A519 L520 L521	T513-D517 WeakPolarHBondContact CG2-OD2 3.4Å; T513-D517 VanDerWaalsContact O-CG 3.26Å; T513-D517 PolarHBondContact O-N 3.38Å; L514-D517 PolarHBondContact O-N 3.33Å; D517-A519 VanDerWaalsContact C-N 3.3Å; D517-A519 PolarHBondContact O-N 3.03Å; D517-L520 WeakPolarHBondContact O-CB 3.35Å; D517-L520 PolarHBondContact O-N 3.42Å; D517-L521 PolarHBondContact O-N 3.45Å
518	L	85.8	Confident	85.4	Confident	15 Å²	15	61.1 Å²	61.1	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-37.4	174.2	-75.4	176.4	0	0	0	112.3	L476 L514 L520 L521 G522 V523 I525	L476-L518 HydrophobicContact CD2-CD1 3.86Å; L476-L518 HydrophobicContact CD2-CD2 4.08Å; L476-L518 HydrophobicContact CD2-CG 4.49Å; L476-L518 HydrophobicContact CG-CD1 4.49Å; L514-L518 HydrophobicContact CD1-CD1 4.11Å; L514-L518 HydrophobicContact CD1-CG 4.23Å; L514-L518 HydrophobicContact CG-CD1 3.98Å; L514-L518 HydrophobicContact CG-CG 4.48Å; L514-L518 VanDerWaalsContact O-CB 3.28Å; L514-L518 WeakPolarHBondContact O-CB 3.36Å; L514-L518 VanDerWaalsContact O-CG 3.24Å; L514-L518 WeakPolarHBondContact O-CG 3.42Å; L514-L518 PolarHBondContact O-N 3.12Å; L518-L520 VanDerWaalsContact C-N 3.29Å; L518-L520 PolarHBondContact O-N 3.15Å; L518-L521 CarbonylContact O-C 3.57Å; L518-L521 WeakPolarHBondContact O-CA 3.19Å; L518-L521 PolarHBondContact O-N 2.88Å; L518-G522 PolarHBondContact O-N 3.1Å; L518-V523 CarbonylContact C-O 3.58Å; L518-V523 HydrophobicContact CB-CB 4Å; L518-V523 HydrophobicContact CB-CG1 4.24Å; L518-V523 HydrophobicContact CD2-CB 4.4Å; L518-V523 CarbonylContact O-C 3.59Å; L518-V523 WeakPolarHBondContact O-CA 3.34Å; L518-V523 WeakPolarHBondContact O-CB 3.28Å; L518-V523 PolarHBondContact O-N 3.47Å; L518-V523 VanDerWaalsContact O-O 3.11Å; L518-I525 HydrophobicContact CD1-CD1 3.58Å; L518-I525 HydrophobicContact CD1-CG1 4.45Å
519	A	83.9	Confident	84.5	Confident	49 Å²	49	61.6 Å²	61.6	41%	0.405	33%	0.327	S	S	.	.	H	α-helix	trans	-63.9	-34	176.8	0	0	0	0	0	112.7	R515 K516 D517 L521 G522 V523	R515-A519 WeakPolarHBondContact O-CB 3.48Å; R515-A519 PolarHBondContact O-N 3.04Å; R515-A519 VanDerWaalsContact O-N 3.14Å; K516-A519 WeakPolarHBondContact O-CB 3.43Å; K516-A519 PolarHBondContact O-N 2.64Å; D517-A519 VanDerWaalsContact C-N 3.3Å; D517-A519 PolarHBondContact O-N 3.03Å; A519-L521 VanDerWaalsContact C-N 3.25Å; A519-L521 PolarHBondContact O-N 3.02Å; A519-G522 PolarHBondContact O-N 3.25Å; A519-V523 VanDerWaalsContact CA-O 3.23Å; A519-V523 WeakPolarHBondContact CA-O 3.18Å; A519-V523 PolarHBondContact N-O 2.69Å; A519-V523 VanDerWaalsContact N-O 3.1Å
520	L	81.1	Confident	83.2	Confident	141 Å²	141	58.7 Å²	58.7	74%	0.738	32%	0.321	S	S	*	.	H	α-helix	trans	-67.1	-29.2	173.4	-64	172.6	0	0	0	112.2	K516 D517 L518 G522	K516-L520 PolarHBondContact O-N 3.47Å; D517-L520 WeakPolarHBondContact O-CB 3.35Å; D517-L520 PolarHBondContact O-N 3.42Å; L518-L520 VanDerWaalsContact C-N 3.29Å; L518-L520 PolarHBondContact O-N 3.15Å; L520-G522 PolarHBondContact O-N 2.95Å
521	L	79.8	Confident	81.9	Confident	130 Å²	130	56.9 Å²	56.9	68%	0.681	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	10.8	175.4	-59	174.8	0	0	0	112.7	D517 L518 A519 V523	D517-L521 PolarHBondContact O-N 3.45Å; L518-L521 CarbonylContact O-C 3.57Å; L518-L521 WeakPolarHBondContact O-CA 3.19Å; L518-L521 PolarHBondContact O-N 2.88Å; A519-L521 VanDerWaalsContact C-N 3.25Å; A519-L521 PolarHBondContact O-N 3.02Å; L521-V523 VanDerWaalsContact C-N 3.33Å; L521-V523 PolarHBondContact O-N 2.9Å
522	G	78.2	Confident	81.4	Confident	5 Å²	5	57.7 Å²	57.7	5%	0.052	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-1.3	179.9	0	0	0	0	0	114.7	L518 A519 L520 I536 K537	L518-G522 PolarHBondContact O-N 3.1Å; A519-G522 PolarHBondContact O-N 3.25Å; L520-G522 PolarHBondContact O-N 2.95Å; G522-I536 CarbonylContact O-C 3.48Å; G522-I536 WeakPolarHBondContact O-CA 3.45Å; G522-K537 PolarHBondContact O-N 3.34Å
523	V	84.1	Confident	80.9	Confident	7 Å²	7	56.3 Å²	56.3	4%	0.042	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	106.1	177.2	178.6	0	0	0	0	110	V473 L518 A519 L521 I525 W534 E535 I536	V473-V523 HydrophobicContact CG1-CG1 3.57Å; V473-V523 HydrophobicContact CG1-CG2 4.42Å; V473-V523 HydrophobicContact CG2-CG2 4.05Å; L518-V523 CarbonylContact C-O 3.58Å; L518-V523 HydrophobicContact CB-CB 4Å; L518-V523 HydrophobicContact CB-CG1 4.24Å; L518-V523 HydrophobicContact CD2-CB 4.4Å; L518-V523 CarbonylContact O-C 3.59Å; L518-V523 WeakPolarHBondContact O-CA 3.34Å; L518-V523 WeakPolarHBondContact O-CB 3.28Å; L518-V523 PolarHBondContact O-N 3.47Å; L518-V523 VanDerWaalsContact O-O 3.11Å; A519-V523 VanDerWaalsContact CA-O 3.23Å; A519-V523 WeakPolarHBondContact CA-O 3.18Å; A519-V523 PolarHBondContact N-O 2.69Å; A519-V523 VanDerWaalsContact N-O 3.1Å; L521-V523 VanDerWaalsContact C-N 3.33Å; L521-V523 PolarHBondContact O-N 2.9Å; V523-I525 HydrophobicContact CG1-CG1 4.41Å; V523-W534 HydrophobicContact CG1-CB 4.43Å; V523-E535 CarbonylContact C-O 3.53Å; V523-I536 HydrophobicContact CG2-CG1 4.02Å
524	V	85.8	Confident	80.6	Confident	37 Å²	37	54.7 Å²	54.7	22%	0.224	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	112	178.1	-178.1	0	0	0	0	110	K526 W534 E535 K537	V524-K526 HydrophobicContact CG1-CG 4.4Å; V524-W534 CarbonylContact O-C 3.59Å; V524-W534 VanDerWaalsContact O-CA 3.3Å; V524-W534 WeakPolarHBondContact O-CA 3.44Å; V524-E535 HydrophobicContact CB-CG 3.9Å; V524-E535 PolarHBondContact N-O 3.28Å; V524-E535 PolarHBondContact O-N 3.16Å; V524-K537 HydrophobicContact CG2-CD 3.95Å; V524-K537 HydrophobicContact CG2-CG 4.22Å
525	I	85.9	Confident	79.9	Confident	10 Å²	10	54.6 Å²	54.6	5%	0.051	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	127.4	171.9	-57.9	179.4	0	0	0	110	T477 R515 L518 V523 T533 W534	T477-I525 HydrophobicContact CG2-CD1 4.41Å; T477-I525 HydrophobicContact CG2-CG2 4.24Å; R515-I525 HydrophobicContact CG-CB 4.21Å; L518-I525 HydrophobicContact CD1-CD1 3.58Å; L518-I525 HydrophobicContact CD1-CG1 4.45Å; V523-I525 HydrophobicContact CG1-CG1 4.41Å; I525-T533 CarbonylContact C-O 3.55Å; I525-T533 WeakPolarHBondContact CA-O 3.41Å; I525-W534 HydrophobicContact CG1-CB 4.22Å
526	K	81.5	Confident	79.3	Confident	78 Å²	78	54.1 Å²	54.1	34%	0.339	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	110.2	175.9	-65.3	175	-177.3	166.8	0	109.3	V524 T533 E535	V524-K526 HydrophobicContact CG1-CG 4.4Å; K526-T533 PolarHBondContact N-O 2.94Å; K526-T533 PolarHBondContact O-N 2.95Å; K526-T533 PolarHBondContact O-OG1 3.2Å; K526-E535 VanDerWaalsContact CE-OE1 3.27Å; K526-E535 WeakPolarHBondContact CE-OE1 3.15Å; K526-E535 PolarHBondContact NZ-OE1 2.66Å; K526-E535 IonicContact NZ-OE1 3.87Å; K526-E535 PolarHBondContact NZ-OE2 3.13Å; K526-E535 IonicContact NZ-OE2 2.84Å
527	D	80.5	Confident	78.3	Confident	44 Å²	44	53.4 Å²	53.4	24%	0.235	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	130.1	174.5	-61.4	-46.8	0	0	0	110.3	R480 R515 S532	R480-D527 IonicContact CZ-OD1 3.24Å; R480-D527 IonicContact NH1-OD1 3.55Å; R480-D527 PolarHBondContact NH1-OD1 3.42Å; R480-D527 IonicContact NH2-OD1 3.75Å; R480-D527 PolarHBondContact NH2-OD1 3.39Å; R480-D527 IonicContact NH2-OD2 3.77Å; R480-D527 PolarHBondContact NH2-OD2 3.09Å; R515-D527 IonicContact CZ-OD2 2.96Å; R515-D527 IonicContact NE-OD2 3.76Å; R515-D527 IonicContact NH1-OD2 3.73Å; R515-D527 PolarHBondContact NH1-OD2 2.92Å; D527-S532 PolarHBondContact OD1-OG 3.18Å
528	R	70.9	Confident	76.5	Confident	51 Å²	51	57.1 Å²	57.1	19%	0.192	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	83.3	179.9	-61	-175.2	-170	-149.8	2.2	109.2	L371 P422 T530 T531 T533	L371-R528 VanDerWaalsContact CD2-NH1 3.33Å; P422-R528 HydrophobicContact CB-CG 4.37Å; R528-T530 PolarHBondContact O-N 3.16Å; R528-T531 CarbonylContact C-O 3.57Å; R528-T531 WeakPolarHBondContact CA-O 3.27Å; R528-T531 PolarHBondContact N-O 3.4Å; R528-T531 PolarHBondContact O-N 3.48Å; R528-T531 VanDerWaalsContact O-N 3.16Å; R528-T531 VanDerWaalsContact O-O 3.09Å; R528-T531 PolarHBondContact O-OG1 3.08Å; R528-T533 PolarHBondContact NE-OG1 3.26Å
529	G	69.1	Low	74.4	Confident	34 Å²	34	61.5 Å²	61.5	35%	0.351	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	-125	-174.4	0	0	0	0	0	112	T531	G529-T531 VanDerWaalsContact C-N 3.3Å
530	T	62.4	Low	72.2	Confident	80 Å²	80	67.7 Å²	67.7	49%	0.491	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-13.1	174.2	52.2	0	0	0	0	113.4	E485 R528	E485-T530 HydrophobicContact CG-CG2 4.44Å; R528-T530 PolarHBondContact O-N 3.16Å
531	T	60.3	Low	70	Confident	36 Å²	36	66.9 Å²	66.9	22%	0.221	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	147.9	-177.4	58.7	0	0	0	0	111.8	R528 G529	R528-T531 CarbonylContact C-O 3.57Å; R528-T531 WeakPolarHBondContact CA-O 3.27Å; R528-T531 PolarHBondContact N-O 3.4Å; R528-T531 PolarHBondContact O-N 3.48Å; R528-T531 VanDerWaalsContact O-N 3.16Å; R528-T531 VanDerWaalsContact O-O 3.09Å; R528-T531 PolarHBondContact O-OG1 3.08Å; G529-T531 VanDerWaalsContact C-N 3.3Å
532	S	80.9	Confident	67.7	Low	22 Å²	22	63.8 Å²	63.8	15%	0.154	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.3	170.5	-49.5	0	0	0	0	110.2	R480 S481 D527	R480-S532 PolarHBondContact NH1-OG 3.24Å; S481-S532 WeakPolarHBondContact OG-CB 3.39Å; S481-S532 PolarHBondContact OG-OG 3.38Å; D527-S532 PolarHBondContact OD1-OG 3.18Å
533	T	80.4	Confident	65.2	Low	21 Å²	21	72.4 Å²	72.4	13%	0.129	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	156.3	171	52	0	0	0	0	108.9	I525 K526 R528	I525-T533 CarbonylContact C-O 3.55Å; I525-T533 WeakPolarHBondContact CA-O 3.41Å; K526-T533 PolarHBondContact N-O 2.94Å; K526-T533 PolarHBondContact O-N 2.95Å; K526-T533 PolarHBondContact O-OG1 3.2Å; R528-T533 PolarHBondContact NE-OG1 3.26Å
534	W	84.3	Confident	62.5	Low	40 Å²	40	78.2 Å²	78.2	15%	0.152	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	156.1	178.6	62.2	-90.5	0	0	0	111.9	Q470 V473 E474 V523 V524 I525 I536	Q470-W534 HydrophobicContact CB-CH2 3.8Å; Q470-W534 HydrophobicContact CB-CZ2 4.39Å; Q470-W534 HydrophobicContact CG-CH2 3.76Å; Q470-W534 HydrophobicContact CG-CZ3 4.35Å; V473-W534 HydrophobicContact CG1-CB 4.4Å; V473-W534 HydrophobicContact CG1-CD2 3.49Å; V473-W534 VanDerWaalsContact CG1-CD2 3.49Å; V473-W534 HydrophobicContact CG1-CE3 3.69Å; V473-W534 HydrophobicContact CG1-CG 3.81Å; V473-W534 HydrophobicContact CG1-CZ2 4.36Å; V473-W534 HydrophobicContact CG1-CZ3 4.23Å; E474-W534 HydrophobicContact CB-CZ2 4.29Å; E474-W534 PolarHBondContact OE2-NE1 3.38Å; V523-W534 HydrophobicContact CG1-CB 4.43Å; V524-W534 CarbonylContact O-C 3.59Å; V524-W534 VanDerWaalsContact O-CA 3.3Å; V524-W534 WeakPolarHBondContact O-CA 3.44Å; I525-W534 HydrophobicContact CG1-CB 4.22Å; W534-I536 HydrophobicContact CZ3-CG1 3.76Å; W534-I536 HydrophobicContact CZ3-CD1 3.72Å; W534-I536 HydrophobicContact CH2-CD1 4.49Å; W534-I536 HydrophobicContact CE3-CD1 4.49Å; W534-I536 HydrophobicContact CE3-CG1 4.1Å
535	E	75.6	Confident	59.7	Low	48 Å²	48	82.1 Å²	82.1	22%	0.224	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.1	170.3	65.8	-170	-169.7	0	0	109.4	V523 V524 K526 K537	V523-E535 CarbonylContact C-O 3.53Å; V524-E535 HydrophobicContact CB-CG 3.9Å; V524-E535 PolarHBondContact N-O 3.28Å; V524-E535 PolarHBondContact O-N 3.16Å; K526-E535 VanDerWaalsContact CE-OE1 3.27Å; K526-E535 WeakPolarHBondContact CE-OE1 3.15Å; K526-E535 PolarHBondContact NZ-OE1 2.66Å; K526-E535 IonicContact NZ-OE1 3.87Å; K526-E535 PolarHBondContact NZ-OE2 3.13Å; K526-E535 IonicContact NZ-OE2 2.84Å; E535-K537 WeakPolarHBondContact OE1-CE 3.35Å
536	I	77.9	Confident	57	Low	71 Å²	71	87.8 Å²	87.8	36%	0.364	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.7	169.7	-65.6	164.5	0	0	0	107.5	Q470 G522 V523 W534	Q470-I536 HydrophobicContact CG-CD1 4.03Å; G522-I536 CarbonylContact O-C 3.48Å; G522-I536 WeakPolarHBondContact O-CA 3.45Å; V523-I536 HydrophobicContact CG2-CG1 4.02Å; W534-I536 HydrophobicContact CZ3-CG1 3.76Å; W534-I536 HydrophobicContact CZ3-CD1 3.72Å; W534-I536 HydrophobicContact CH2-CD1 4.49Å; W534-I536 HydrophobicContact CE3-CD1 4.49Å; W534-I536 HydrophobicContact CE3-CG1 4.1Å
537	K	67.2	Low	54.4	Low	121 Å²	121	95.7 Å²	95.7	53%	0.526	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-99.1	128.9	169.3	-69.2	-172.1	175.2	-174	0	108.3	G522 V524 E535 T539	G522-K537 PolarHBondContact O-N 3.34Å; V524-K537 HydrophobicContact CG2-CD 3.95Å; V524-K537 HydrophobicContact CG2-CG 4.22Å; E535-K537 WeakPolarHBondContact OE1-CE 3.35Å; K537-T539 PolarHBondContact O-N 2.59Å
538	Q	51.8	Low	51.9	Low	160 Å²	160	100 Å²	100	75%	0.748	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-63.2	119	169.5	-77.6	-177.2	-16.7	0	0	109
539	T	41.7	Very low	50	Low	106 Å²	106	102.6 Å²	102.6	65%	0.65	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-71.2	125.4	169.5	24.8	0	0	0	0	108.6	K537 S541	K537-T539 PolarHBondContact O-N 2.59Å; T539-S541 PolarHBondContact O-N 3.36Å
540	Q	36.7	Very low	48.3	Very low	179 Å²	179	110.4 Å²	110.4	84%	0.836	60%	0.599	S	S	*	*			trans	-59.9	104.1	167.6	-74.1	-178.1	-12.6	0	0	108.4	G542	Q540-G542 PolarHBondContact O-N 3Å
541	S	34.1	Very low	46.7	Very low	124 Å²	124	114.9 Å²	114.9	87%	0.867	61%	0.614	S	S	*	*			trans	-73	111.7	170.7	58.2	0	0	0	0	109	T539	T539-S541 PolarHBondContact O-N 3.36Å
542	G	31.4	Very low	45.3	Very low	66 Å²	66	121.4 Å²	121.4	68%	0.68	64%	0.642	S	S	*	*			trans	133.1	62.6	159.4	0	0	0	0	0	117.4	Q540	Q540-G542 PolarHBondContact O-N 3Å
543	Q	27.4	Very low	43	Very low	186 Å²	186	133.8 Å²	133.8	87%	0.869	69%	0.692	S	S	*	*			trans	-114.9	82.1	145.4	-86.6	-169.8	-6.7	0	0	108.5	T545	Q543-T545 VanDerWaalsContact O-N 3.1Å; Q543-T545 PolarHBondContact O-N 3.26Å; Q543-T545 VanDerWaalsContact C-N 3.34Å
544	T	27.4	Very low	41.1	Very low	128 Å²	128	139.4 Å²	139.4	79%	0.785	72%	0.721	S	S	*	*			trans	-74.6	94.5	162.3	-43.9	0	0	0	0	106.9	T546	T544-T546 PolarHBondContact O-N 2.95Å
545	T	27.3	Very low	38.8	Very low	120 Å²	120	144.6 Å²	144.6	74%	0.736	75%	0.75	S	S	*	*			trans	-60.7	100.7	167.5	39.4	0	0	0	0	109.4	Q543 R547	Q543-T545 VanDerWaalsContact O-N 3.1Å; Q543-T545 PolarHBondContact O-N 3.26Å; Q543-T545 VanDerWaalsContact C-N 3.34Å; T545-R547 PolarHBondContact O-N 3.07Å
546	T	27.6	Very low	36.8	Very low	128 Å²	128	150 Å²	150	79%	0.785	78%	0.78	S	S	*	*			trans	-68.6	97.3	163.9	21.4	0	0	0	0	108.7	T544 T548	T544-T546 PolarHBondContact O-N 2.95Å; T546-T548 PolarHBondContact O-N 3.17Å; T546-T548 VanDerWaalsContact O-N 3.12Å
547	R	27	Very low	34.4	Very low	244 Å²	244	154.6 Å²	154.6	92%	0.921	80%	0.804	S	S	*	*			trans	-65.7	101.8	159.2	-96.9	178.1	165.8	174.1	-3.9	107.7	T545 S549	T545-R547 PolarHBondContact O-N 3.07Å; R547-S549 PolarHBondContact O-N 2.85Å; R547-S549 VanDerWaalsContact O-N 3.13Å
548	T	29.6	Very low	32.3	Very low	135 Å²	135	156.8 Å²	156.8	83%	0.828	82%	0.822	S	S	*	*			trans	-67.1	104.1	164.3	43.6	0	0	0	0	109	T546 K550	T546-T548 PolarHBondContact O-N 3.17Å; T546-T548 VanDerWaalsContact O-N 3.12Å; T548-K550 PolarHBondContact O-N 3.08Å
549	S	29	Very low	31	Very low	106 Å²	106	156.5 Å²	156.5	74%	0.741	83%	0.826	S	S	*	*			trans	-72.2	114.6	163	53.2	0	0	0	0	108.7	R547 H551	R547-S549 PolarHBondContact O-N 2.85Å; R547-S549 VanDerWaalsContact O-N 3.13Å; S549-H551 PolarHBondContact O-N 3.42Å
550	K	33.9	Very low	30.2	Very low	198 Å²	198	160.1 Å²	160.1	86%	0.861	84%	0.839	S	S	*	*			trans	-59.5	122.8	155.4	-78.1	178.2	172.3	179.9	0	107.9	T548	T548-K550 PolarHBondContact O-N 3.08Å
551	H	29.4	Very low	29.7	Very low	174 Å²	174	158.7 Å²	158.7	81%	0.806	84%	0.839	S	S	*	*			trans	-144.6	139.4	147.8	-100	-48.9	0	0	0	110.9	S549	S549-H551 PolarHBondContact O-N 3.42Å
552	E	30.8	Very low	29.4	Very low	173 Å²	173	161.6 Å²	161.6	81%	0.808	84%	0.837	S	S	*	*			trans	-60.5	132.1	-178.1	-63.3	145.2	134.9	0	0	112.7
553	K	31.8	Very low	29.2	Very low	281 Å²	281	170.3 Å²	170.3	100%	1.222	85%	0.851	S	S	*	*				-176.7	0	111.6	-100.3	-178.6	-179.6	-179.6	0	110.8

Retrieved 553 of 553 residues in 510.3 ms (Link to these results)

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