A0A5K4F139_SCHMA Loading...

Protein kinase C

PKC is activated by diacylglycerol which in turn phosphorylates a range of cellular proteins. PKC also serves as the receptor for phorbol esters, a class of tumor promoters.

AlphaFold DB , UniProt , Accession A0A5K4F139, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 662 aa.

Structure Viewer

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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	30.2	Very low	30.2	Very low	244 Å²	244	182.7 Å²	182.7	100%	1.202	89%	0.886	S	S	*	*				0	105.1	0	-88.6	179.3	174.5	0	0	108.8
2	T	31.7	Very low	30.5	Very low	139 Å²	139	173.8 Å²	173.8	85%	0.853	88%	0.877	S	S	*	*			trans	-75.9	120.9	171	31.7	0	0	0	0	108.7	D4	T2-D4 PolarHBondContact O-N 3.34Å
3	L	31.2	Very low	30.7	Very low	160 Å²	160	169 Å²	169	84%	0.838	87%	0.87	S	S	*	*			trans	-88.7	75.2	176.2	-79.3	165.4	0	0	0	108.8
4	D	31	Very low	31.2	Very low	151 Å²	151	170.9 Å²	170.9	81%	0.807	87%	0.872	S	S	*	*			trans	-146.9	98.4	162.3	-77.5	-45.1	0	0	0	106.8	T2	T2-D4 PolarHBondContact O-N 3.34Å
5	K	33.5	Very low	31.7	Very low	205 Å²	205	165.3 Å²	165.3	89%	0.891	86%	0.862	S	S	*	*			trans	-124.1	114.5	161.6	-84.5	-166.6	175	-174	0	108.1
6	E	26.2	Very low	32.1	Very low	182 Å²	182	165.5 Å²	165.5	85%	0.85	86%	0.862	S	S	*	*			trans	-65.1	120.1	171.3	-61	172.5	146.9	0	0	109
7	D	34.5	Very low	32.4	Very low	158 Å²	158	165.5 Å²	165.5	85%	0.845	86%	0.857	S	S	*	*			trans	-97.7	106.3	163.3	-81.7	-31.5	0	0	0	108.4
8	N	25.9	Very low	32.7	Very low	146 Å²	146	169.2 Å²	169.2	78%	0.781	86%	0.858	S	S	*	*			trans	-75.7	112.3	162.8	-86.7	-42.2	0	0	0	108.8
9	F	31.4	Very low	33	Very low	201 Å²	201	173.2 Å²	173.2	88%	0.882	86%	0.861	S	S	*	*			trans	-139.3	140.9	158.2	-103.1	-84.7	0	0	0	112.6
10	Q	28.6	Very low	33.6	Very low	178 Å²	178	167.5 Å²	167.5	83%	0.832	85%	0.849	S	S	*	*			trans	-78.1	152.8	-160	-67	169.6	-39.6	0	0	115.1
11	Y	27.5	Very low	33.9	Very low	246 Å²	246	163.7 Å²	163.7	97%	0.965	84%	0.843	S	S	*	*			trans	-1.5	114.4	156.9	-85.2	-101.8	0	0	0	118.8
12	G	34.8	Very low	34.5	Very low	76 Å²	76	160 Å²	160	78%	0.784	83%	0.828	S	S	*	*			trans	-145.7	124.7	157.9	0	0	0	0	0	109.7
13	S	32.8	Very low	35.4	Very low	111 Å²	111	164.7 Å²	164.7	78%	0.776	83%	0.83	S	S	*	*			trans	-61.9	134.1	-170.9	54.9	0	0	0	0	115.1	A15	S13-A15 PolarHBondContact O-N 2.95Å
14	H	37	Very low	36.3	Very low	196 Å²	196	165.3 Å²	165.3	91%	0.907	83%	0.828	S	S	*	*			trans	43.4	62.9	152.6	-69.6	-76.5	0	0	0	117.9
15	A	38.7	Very low	37.9	Very low	87 Å²	87	164 Å²	164	72%	0.719	82%	0.815	S	S	*	*			trans	-96.8	127.1	150.2	0	0	0	0	0	108.5	S13 E17	S13-A15 PolarHBondContact O-N 2.95Å; A15-E17 VanDerWaalsContact C-N 3.34Å; A15-E17 PolarHBondContact O-N 3.17Å
16	I	38.9	Very low	40.3	Very low	168 Å²	168	160.8 Å²	160.8	86%	0.862	81%	0.808	S	S	*	*			trans	-58.7	95.4	176.8	-64.1	167.5	0	0	0	108	R18	I16-R18 PolarHBondContact O-N 2.94Å; I16-R18 VanDerWaalsContact O-N 3.09Å
17	E	36.7	Very low	43.4	Very low	166 Å²	166	154.9 Å²	154.9	78%	0.776	78%	0.784	S	S	*	*			trans	-62.1	113	174.2	-82.8	-171.8	147	0	0	108.5	A15 R19	A15-E17 VanDerWaalsContact C-N 3.34Å; A15-E17 PolarHBondContact O-N 3.17Å; E17-R19 PolarHBondContact O-N 3.3Å
18	R	37.2	Very low	46.1	Very low	231 Å²	231	150.7 Å²	150.7	87%	0.872	76%	0.761	S	S	*	*			trans	-61.8	89.3	165	-68.5	-178.3	179.5	178.5	0	108	I16 G20 A21	I16-R18 PolarHBondContact O-N 2.94Å; I16-R18 VanDerWaalsContact O-N 3.09Å; R18-G20 PolarHBondContact O-N 3.13Å; R18-A21 PolarHBondContact O-N 3.36Å
19	R	39.6	Very low	49.3	Very low	245 Å²	245	149.6 Å²	149.6	93%	0.925	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	79.5	166.2	-75.8	-176.1	175.8	179.1	-0.7	108.8	E17	E17-R19 PolarHBondContact O-N 3.3Å
20	G	44.5	Very low	52.1	Low	60 Å²	60	141.1 Å²	141.1	62%	0.619	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	173.3	-4.1	-175.1	0	0	0	0	0	115.3	R18 L22	R18-G20 PolarHBondContact O-N 3.13Å; G20-L22 PolarHBondContact O-N 3.08Å
21	A	39.1	Very low	54.9	Low	87 Å²	87	134.2 Å²	134.2	72%	0.719	69%	0.685	S	S	*	*			trans	-65.4	89.6	166.1	0	0	0	0	0	108.7	R18 R23	R18-A21 PolarHBondContact O-N 3.36Å; A21-R23 VanDerWaalsContact C-N 3.34Å; A21-R23 PolarHBondContact O-N 2.83Å
22	L	44.7	Very low	57.8	Low	168 Å²	168	123.5 Å²	123.5	88%	0.88	65%	0.649	S	S	*	*			trans	-49.9	102.6	163.1	-86.3	151.6	0	0	0	106.3	G20 Q24	G20-L22 PolarHBondContact O-N 3.08Å; L22-Q24 PolarHBondContact O-N 3.11Å
23	R	50	Low	60.6	Low	237 Å²	237	119.9 Å²	119.9	89%	0.894	61%	0.611	S	S	*	*			trans	-49.9	111.7	170.9	-78.2	-178.4	174.6	173.5	-2.4	106.3	A21 K25	A21-R23 VanDerWaalsContact C-N 3.34Å; A21-R23 PolarHBondContact O-N 2.83Å; R23-K25 PolarHBondContact O-N 3.08Å
24	Q	48.7	Very low	63.6	Low	172 Å²	172	118.8 Å²	118.8	80%	0.804	59%	0.593	S	S	*	*			trans	-53.6	115.6	177.8	-167.6	170.1	6.1	0	0	105.9	L22 N26	L22-Q24 PolarHBondContact O-N 3.11Å; Q24-N26 PolarHBondContact O-N 2.95Å
25	K	65.1	Low	66.4	Low	123 Å²	123	109.5 Å²	109.5	54%	0.535	55%	0.55	S	S	.	.			trans	-55.2	133.8	-179.5	-69.3	176.6	-178.1	172.9	0	107	R23 V27 V36	R23-K25 PolarHBondContact O-N 3.08Å; K25-V27 VanDerWaalsContact O-CG2 3.3Å; K25-V27 WeakPolarHBondContact O-CG2 3.49Å; K25-V27 PolarHBondContact O-N 3.24Å; K25-V36 HydrophobicContact CB-CG1 4.31Å
26	N	84.1	Confident	69.1	Low	139 Å²	139	105.9 Å²	105.9	74%	0.743	52%	0.519	S	S	*	.			trans	-51.4	105.4	173.6	-66.4	-6.6	0	0	0	108.7	Q24	Q24-N26 PolarHBondContact O-N 2.95Å
27	V	91.4	Very high	71.8	Confident	57 Å²	57	99.7 Å²	99.7	35%	0.345	49%	0.492	S	S	.	.			trans	-88.2	125.2	175.8	-177.9	0	0	0	0	106.2	K25 K34 F35 V36	K25-V27 VanDerWaalsContact O-CG2 3.3Å; K25-V27 WeakPolarHBondContact O-CG2 3.49Å; K25-V27 PolarHBondContact O-N 3.24Å; V27-K34 HydrophobicContact CG1-CB 3.58Å; V27-K34 HydrophobicContact CG1-CD 4.46Å; V27-K34 HydrophobicContact CG1-CG 3.97Å; V27-F35 WeakPolarHBondContact CA-O 3.44Å; V27-V36 HydrophobicContact CB-CG1 4.45Å; V27-V36 HydrophobicContact CG2-CG1 3.86Å
28	I	92.4	Very high	74.5	Confident	70 Å²	70	95.1 Å²	95.1	36%	0.359	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.6	175	-53.2	174.8	0	0	0	107	V30 F35 Y75	I28-V30 HydrophobicContact CG2-CG2 4.31Å; I28-F35 PolarHBondContact N-O 3.1Å; I28-F35 WeakPolarHBondContact O-CB 3.48Å; I28-F35 PolarHBondContact O-N 2.67Å; I28-Y75 HydrophobicContact CB-CE2 4.32Å; I28-Y75 HydrophobicContact CD1-CE2 4.42Å; I28-Y75 HydrophobicContact CG2-CE2 3.62Å
29	E	92.4	Very high	77.2	Confident	123 Å²	123	89.4 Å²	89.4	58%	0.575	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.6	179.3	-165.4	160.8	165.7	0	0	110.9	H33	E29-H33 VanDerWaalsContact CA-O 3.26Å; E29-H33 WeakPolarHBondContact CA-O 3.24Å
30	V	89.6	Confident	79.8	Confident	23 Å²	23	78.5 Å²	78.5	14%	0.139	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	121.6	175.5	179.3	0	0	0	0	107.8	I28 G32 H33 F35 Y75	I28-V30 HydrophobicContact CG2-CG2 4.31Å; V30-G32 PolarHBondContact O-N 3.09Å; V30-G32 VanDerWaalsContact O-N 3.15Å; V30-H33 PolarHBondContact N-O 3.17Å; V30-H33 VanDerWaalsContact N-O 3.08Å; V30-H33 WeakPolarHBondContact O-CA 3.24Å; V30-H33 VanDerWaalsContact O-CB 3.23Å; V30-H33 WeakPolarHBondContact O-CB 3.12Å; V30-H33 PolarHBondContact O-N 3.4Å; V30-F35 HydrophobicContact CB-CD2 4.31Å; V30-F35 HydrophobicContact CB-CE2 4.2Å; V30-F35 HydrophobicContact CG2-CD2 4.5Å; V30-Y75 HydrophobicContact CG2-CD2 3.74Å; V30-Y75 HydrophobicContact CG2-CE2 3.7Å
31	N	86.9	Confident	82	Confident	34 Å²	34	85.1 Å²	85.1	18%	0.182	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	40.9	-179.7	-71.8	-45.1	0	0	0	113.6	H33 V78 K81 C82 E288	N31-H33 PolarHBondContact O-N 2.82Å; N31-V78 PolarHBondContact ND2-O 3.13Å; N31-K81 CarbonylContact O-C 3.53Å; N31-K81 VanDerWaalsContact O-CA 3.3Å; N31-K81 WeakPolarHBondContact O-CA 3.27Å; N31-C82 PolarHBondContact O-N 3.47Å; N31-E288 PolarHBondContact ND2-OE1 3.46Å; N31-E288 PolarHBondContact OD1-OE1 2.76Å
32	G	90.2	Very high	84.4	Confident	20 Å²	20	84.5 Å²	84.5	21%	0.206	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	-2	-176.6	0	0	0	0	0	115.2	V30 C82	V30-G32 PolarHBondContact O-N 3.09Å; V30-G32 VanDerWaalsContact O-N 3.15Å; G32-C82 VanDerWaalsContact O-CB 3.31Å; G32-C82 WeakPolarHBondContact O-CB 3.44Å
33	H	92.9	Very high	86.7	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.6	172.1	-70.4	-95.9	0	0	0	110.6	E29 V30 N31 F35 C63 C66 F80 C82	E29-H33 VanDerWaalsContact CA-O 3.26Å; E29-H33 WeakPolarHBondContact CA-O 3.24Å; V30-H33 PolarHBondContact N-O 3.17Å; V30-H33 VanDerWaalsContact N-O 3.08Å; V30-H33 WeakPolarHBondContact O-CA 3.24Å; V30-H33 VanDerWaalsContact O-CB 3.23Å; V30-H33 WeakPolarHBondContact O-CB 3.12Å; V30-H33 PolarHBondContact O-N 3.4Å; N31-H33 PolarHBondContact O-N 2.82Å; H33-F35 HydrophobicContact CB-CD2 3.7Å; H33-F35 HydrophobicContact CB-CE1 4.36Å; H33-F35 HydrophobicContact CB-CE2 3.26Å; H33-F35 HydrophobicContact CB-CG 4.43Å; H33-F35 HydrophobicContact CB-CZ 3.62Å; H33-F35 AromaticContact CG-CE2 3.84Å; H33-F35 AromaticContact CG-CZ 3.78Å; H33-F35 AromaticContact ND1-CZ 3.95Å; H33-F35 PolarHBondContact O-N 3.44Å; H33-C63 HydrophobicContact CB-CB 4.17Å; H33-C66 PolarHBondContact CE1-SG 2.8Å; H33-C66 PolarHBondContact ND1-SG 3.24Å; H33-C66 VanDerWaalsContact ND1-SG 3.39Å; H33-F80 AromaticContact CE1-CE2 3.62Å; H33-F80 AromaticContact NE2-CD2 3.77Å; H33-F80 AromaticContact NE2-CE2 3.43Å; H33-F80 WeakPolarHBondContact NE2-CE2 3.49Å; H33-F80 PolarHBondContact NE2-O 2.69Å; H33-C82 HydrophobicContact CB-CB 4.27Å; H33-C82 VanDerWaalsContact NE2-CA 3.34Å; H33-C82 WeakPolarHBondContact NE2-CA 3.46Å; H33-C82 PolarHBondContact NE2-N 3.41Å
34	K	95.1	Very high	88.9	Confident	89 Å²	89	71.9 Å²	71.9	39%	0.387	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	83.2	171.9	-70.1	-175.7	-176.2	179.1	0	110.8	V27 C63 Q64 I65	V27-K34 HydrophobicContact CG1-CB 3.58Å; V27-K34 HydrophobicContact CG1-CD 4.46Å; V27-K34 HydrophobicContact CG1-CG 3.97Å; K34-C63 PolarHBondContact N-SG 3.06Å; K34-C63 CarbonylContact O-C 3.56Å; K34-C63 WeakPolarHBondContact O-CA 3.45Å; K34-Q64 PolarHBondContact O-N 2.98Å; K34-I65 HydrophobicContact CB-CD1 4.23Å; K34-I65 HydrophobicContact CB-CG1 4.35Å; K34-I65 HydrophobicContact CD-CD1 4.02Å; K34-I65 HydrophobicContact CD-CG1 4.46Å; K34-I65 HydrophobicContact CG-CD1 3.94Å
35	F	96.2	Very high	91.1	Very high	1 Å²	1	66.8 Å²	66.8	0%	0.004	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.3	-178.3	-72.6	-69.2	0	0	0	112.3	V27 I28 V30 H33 V61 C63 F68 Y75 V78	V27-F35 WeakPolarHBondContact CA-O 3.44Å; I28-F35 PolarHBondContact N-O 3.1Å; I28-F35 WeakPolarHBondContact O-CB 3.48Å; I28-F35 PolarHBondContact O-N 2.67Å; V30-F35 HydrophobicContact CB-CD2 4.31Å; V30-F35 HydrophobicContact CB-CE2 4.2Å; V30-F35 HydrophobicContact CG2-CD2 4.5Å; H33-F35 HydrophobicContact CB-CD2 3.7Å; H33-F35 HydrophobicContact CB-CE1 4.36Å; H33-F35 HydrophobicContact CB-CE2 3.26Å; H33-F35 HydrophobicContact CB-CG 4.43Å; H33-F35 HydrophobicContact CB-CZ 3.62Å; H33-F35 AromaticContact CG-CE2 3.84Å; H33-F35 AromaticContact CG-CZ 3.78Å; H33-F35 AromaticContact ND1-CZ 3.95Å; H33-F35 PolarHBondContact O-N 3.44Å; F35-V61 HydrophobicContact CB-CB 4.23Å; F35-V61 HydrophobicContact CB-CG2 4.3Å; F35-V61 HydrophobicContact CD1-CB 4.19Å; F35-V61 HydrophobicContact CD1-CG2 3.68Å; F35-V61 HydrophobicContact CE1-CG2 4.3Å; F35-V61 HydrophobicContact CG-CG2 4.14Å; F35-C63 HydrophobicContact CD1-CB 4.13Å; F35-C63 HydrophobicContact CE1-CB 3.96Å; F35-F68 HydrophobicContact CE1-CD1 4.06Å; F35-F68 HydrophobicContact CZ-CD1 4.08Å; F35-Y75 AromaticContact CD2-CD2 3.87Å; F35-Y75 HydrophobicContact CD2-CD2 3.87Å; F35-Y75 HydrophobicContact CD2-CG 4.36Å; F35-Y75 HydrophobicContact CE2-CD2 4.34Å; F35-Y75 HydrophobicContact CG-CD2 4.36Å; F35-V78 HydrophobicContact CZ-CG2 4.37Å
36	V	95.4	Very high	92.7	Very high	11 Å²	11	61 Å²	61	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141	170.4	-66.4	0	0	0	0	110.8	K25 V27 K38 V61 Q62 Q64	K25-V36 HydrophobicContact CB-CG1 4.31Å; V27-V36 HydrophobicContact CB-CG1 4.45Å; V27-V36 HydrophobicContact CG2-CG1 3.86Å; V36-K38 PolarHBondContact O-N 2.94Å; V36-V61 CarbonylContact O-C 3.57Å; V36-V61 VanDerWaalsContact O-CA 3.27Å; V36-V61 WeakPolarHBondContact O-CA 3.33Å; V36-Q62 PolarHBondContact N-O 2.97Å; V36-Q62 PolarHBondContact O-N 2.94Å; V36-Q64 HydrophobicContact CB-CG 4.28Å; V36-Q64 VanDerWaalsContact CG1-CD 3.43Å; V36-Q64 HydrophobicContact CG1-CG 3.73Å; V36-Q64 HydrophobicContact CG2-CG 3.55Å
37	A	95.2	Very high	93.1	Very high	37 Å²	37	54.7 Å²	54.7	31%	0.306	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	127.8	172.7	0	0	0	0	0	110.6	K58 G60	A37-K58 HydrophobicContact CB-CB 4.25Å; A37-K58 HydrophobicContact CB-CD 3.74Å; A37-G60 WeakPolarHBondContact CA-O 3.21Å
38	K	93.8	Very high	93.3	Very high	71 Å²	71	52.1 Å²	52.1	31%	0.309	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.6	-172.9	-174.3	167.8	-179.6	-175.6	0	111.6	V36 F40 K58 Q59 G60 Q62	V36-K38 PolarHBondContact O-N 2.94Å; K38-F40 HydrophobicContact CB-CD2 4.44Å; K38-F40 HydrophobicContact CB-CE2 3.96Å; K38-F40 HydrophobicContact CB-CZ 4.01Å; K38-F40 HydrophobicContact CD-CD1 4.05Å; K38-F40 HydrophobicContact CD-CE1 3.61Å; K38-F40 HydrophobicContact CD-CZ 3.9Å; K38-F40 HydrophobicContact CG-CD1 4.29Å; K38-F40 HydrophobicContact CG-CD2 4.45Å; K38-F40 HydrophobicContact CG-CE1 4.13Å; K38-F40 HydrophobicContact CG-CE2 4.28Å; K38-F40 HydrophobicContact CG-CG 4.47Å; K38-F40 HydrophobicContact CG-CZ 4.13Å; K38-K58 CarbonylContact O-C 3.57Å; K38-K58 WeakPolarHBondContact O-CA 3.15Å; K38-Q59 PolarHBondContact O-N 3.47Å; K38-G60 PolarHBondContact N-O 2.76Å; K38-Q62 HydrophobicContact CB-CB 4.37Å; K38-Q62 HydrophobicContact CD-CB 3.83Å; K38-Q62 HydrophobicContact CD-CG 4.49Å
39	F	93.8	Very high	93.4	Very high	111 Å²	111	48.9 Å²	48.9	49%	0.487	24%	0.235	S	C	.	.			trans	-86.6	113.1	164.4	-175.7	-89	0	0	0	108	K41 G57 K58	F39-K41 HydrophobicContact CD1-CG 3.96Å; F39-K41 HydrophobicContact CE1-CG 3.97Å; F39-G57 WeakPolarHBondContact CD2-O 3.35Å; F39-K58 HydrophobicContact CB-CG 4.34Å
40	F	93.7	Very high	93.4	Very high	15 Å²	15	45.1 Å²	45.1	7%	0.066	22%	0.217	C	C	.	.			trans	-90.7	112.8	177.3	-65.7	-83.7	0	0	0	108.8	K38 Q42 T44 I53 Q62 A69	K38-F40 HydrophobicContact CB-CD2 4.44Å; K38-F40 HydrophobicContact CB-CE2 3.96Å; K38-F40 HydrophobicContact CB-CZ 4.01Å; K38-F40 HydrophobicContact CD-CD1 4.05Å; K38-F40 HydrophobicContact CD-CE1 3.61Å; K38-F40 HydrophobicContact CD-CZ 3.9Å; K38-F40 HydrophobicContact CG-CD1 4.29Å; K38-F40 HydrophobicContact CG-CD2 4.45Å; K38-F40 HydrophobicContact CG-CE1 4.13Å; K38-F40 HydrophobicContact CG-CE2 4.28Å; K38-F40 HydrophobicContact CG-CG 4.47Å; K38-F40 HydrophobicContact CG-CZ 4.13Å; F40-Q42 PolarHBondContact O-N 3.14Å; F40-T44 HydrophobicContact CD1-CG2 3.72Å; F40-T44 WeakPolarHBondContact CD1-OG1 3.18Å; F40-T44 HydrophobicContact CE1-CG2 3.82Å; F40-T44 HydrophobicContact CG-CG2 4.23Å; F40-T44 HydrophobicContact CZ-CG2 4.41Å; F40-I53 HydrophobicContact CD2-CG2 4.34Å; F40-I53 HydrophobicContact CE2-CD1 4.29Å; F40-I53 HydrophobicContact CE2-CG2 4.47Å; F40-Q62 HydrophobicContact CZ-CB 4.13Å; F40-A69 HydrophobicContact CE1-CB 4.12Å; F40-A69 HydrophobicContact CZ-CB 3.95Å
41	K	90.7	Very high	93.6	Very high	199 Å²	199	47.2 Å²	47.2	87%	0.865	23%	0.227	S	C	*	.	S	Bend	trans	-71.7	-17.2	-179.7	-65.2	-174.3	177.2	-174.8	0	113.6	F39	F39-K41 HydrophobicContact CD1-CG 3.96Å; F39-K41 HydrophobicContact CE1-CG 3.97Å
42	Q	90.7	Very high	94	Very high	74 Å²	74	49 Å²	49	35%	0.346	23%	0.234	S	C	.	.	S	Bend	trans	-125.5	160.3	-176	68.9	-166.5	3.9	0	0	110	F40 T44 S115 Y118	F40-Q42 PolarHBondContact O-N 3.14Å; Q42-T44 PolarHBondContact O-N 3.32Å; Q42-T44 VanDerWaalsContact O-N 3.08Å; Q42-T44 PolarHBondContact O-OG1 3.29Å; Q42-S115 PolarHBondContact NE2-OG 2.91Å; Q42-Y118 PolarHBondContact OE1-OH 2.76Å
43	F	92.5	Very high	94.2	Very high	141 Å²	141	48.2 Å²	48.2	62%	0.618	23%	0.225	S	C	*	.			trans	-52.4	118.4	172	-69.4	-72.6	0	0	0	110	F52 F109	F43-F52 HydrophobicContact CB-CE2 4.23Å; F43-F52 HydrophobicContact CD1-CD2 4.1Å; F43-F52 HydrophobicContact CD1-CE1 4Å; F43-F52 AromaticContact CD1-CE2 3.47Å; F43-F52 HydrophobicContact CD1-CE2 3.47Å; F43-F52 VanDerWaalsContact CD1-CE2 3.47Å; F43-F52 AromaticContact CD1-CZ 3.4Å; F43-F52 HydrophobicContact CD1-CZ 3.4Å; F43-F52 HydrophobicContact CE1-CE1 4.06Å; F43-F52 HydrophobicContact CE1-CE2 4.28Å; F43-F52 AromaticContact CE1-CZ 3.75Å; F43-F52 HydrophobicContact CE1-CZ 3.75Å; F43-F52 HydrophobicContact CG-CE2 4.31Å; F43-F109 HydrophobicContact CB-CE1 4.04Å; F43-F109 HydrophobicContact CB-CZ 4.38Å
44	T	95.7	Very high	94	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-133	128.3	-175.9	-54.9	0	0	0	0	108.7	F40 Q42 F52 I53 A69 G114	F40-T44 HydrophobicContact CD1-CG2 3.72Å; F40-T44 WeakPolarHBondContact CD1-OG1 3.18Å; F40-T44 HydrophobicContact CE1-CG2 3.82Å; F40-T44 HydrophobicContact CG-CG2 4.23Å; F40-T44 HydrophobicContact CZ-CG2 4.41Å; Q42-T44 PolarHBondContact O-N 3.32Å; Q42-T44 VanDerWaalsContact O-N 3.08Å; Q42-T44 PolarHBondContact O-OG1 3.29Å; T44-F52 WeakPolarHBondContact O-CD2 3.15Å; T44-I53 HydrophobicContact CG2-CD1 4.16Å; T44-I53 WeakPolarHBondContact O-CB 3.45Å; T44-I53 WeakPolarHBondContact O-CG1 3.23Å; T44-I53 PolarHBondContact O-N 3.28Å; T44-A69 HydrophobicContact CG2-CB 4.13Å; T44-G114 WeakPolarHBondContact CA-O 3.28Å
45	F	96.4	Very high	93.6	Very high	64 Å²	64	53.1 Å²	53.1	28%	0.281	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-97.4	147.5	178.5	-70.9	-98.6	0	0	0	111.2	K50 D51 F52 F109 G114	F45-K50 WeakPolarHBondContact CD1-O 3.46Å; F45-D51 CarbonylContact C-O 3.57Å; F45-D51 WeakPolarHBondContact CA-O 3.33Å; F45-F52 HydrophobicContact CD1-CB 4.19Å; F45-F52 HydrophobicContact CE1-CB 3.87Å; F45-F52 HydrophobicContact CZ-CB 4.26Å; F45-F109 HydrophobicContact CD2-CB 4.12Å; F45-F109 AromaticContact CD2-CD1 3.65Å; F45-F109 HydrophobicContact CD2-CD1 3.65Å; F45-F109 AromaticContact CD2-CD2 3.98Å; F45-F109 HydrophobicContact CD2-CD2 3.98Å; F45-F109 HydrophobicContact CD2-CE1 4.04Å; F45-F109 HydrophobicContact CD2-CE2 4.35Å; F45-F109 AromaticContact CD2-CG 3.64Å; F45-F109 HydrophobicContact CD2-CG 3.64Å; F45-F109 HydrophobicContact CD2-CZ 4.38Å; F45-F109 AromaticContact CE2-CD1 3.82Å; F45-F109 HydrophobicContact CE2-CD1 3.82Å; F45-F109 AromaticContact CE2-CD2 3.7Å; F45-F109 HydrophobicContact CE2-CD2 3.7Å; F45-F109 AromaticContact CE2-CE1 3.76Å; F45-F109 HydrophobicContact CE2-CE1 3.76Å; F45-F109 AromaticContact CE2-CE2 3.65Å; F45-F109 HydrophobicContact CE2-CE2 3.65Å; F45-F109 AromaticContact CE2-CG 3.81Å; F45-F109 HydrophobicContact CE2-CG 3.81Å; F45-F109 AromaticContact CE2-CZ 3.69Å; F45-F109 HydrophobicContact CE2-CZ 3.69Å; F45-F109 HydrophobicContact CZ-CE2 4.4Å; F45-G114 PolarHBondContact N-O 2.95Å; F45-G114 WeakPolarHBondContact O-CA 3.41Å
46	C	96.8	Very high	93	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.007	30%	0.295	C	S	.	.			trans	-73.1	129	176.3	174.4	0	0	0	0	110.5	H48 C49 K50 D51 I53 A70 H71	C46-H48 PolarHBondContact O-N 2.8Å; C46-H48 PolarHBondContact SG-N 2.94Å; C46-C49 PolarHBondContact SG-N 2.77Å; C46-K50 WeakPolarHBondContact O-CA 3.34Å; C46-K50 PolarHBondContact O-N 3.48Å; C46-D51 PolarHBondContact N-O 3.27Å; C46-I53 HydrophobicContact CB-CD1 4.22Å; C46-I53 HydrophobicContact CB-CG1 3.97Å; C46-A70 VanDerWaalsContact SG-CA 3.54Å; C46-H71 WeakPolarHBondContact CB-CE1 3.43Å; C46-H71 WeakPolarHBondContact CB-ND1 3.32Å
47	G	93.9	Very high	92.7	Very high	7 Å²	7	62.9 Å²	62.9	7%	0.072	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.1	176.4	0	0	0	0	0	114	K50 A69	G47-K50 VanDerWaalsContact O-CE 3.24Å; G47-K50 WeakPolarHBondContact O-CE 3.49Å; G47-A69 PolarHBondContact N-O 2.8Å
48	H	94.2	Very high	92.5	Very high	4 Å²	4	66.1 Å²	66.1	2%	0.019	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-60.2	-178	175.5	76.5	0	0	0	113.3	C46 C74 Y77 T151 E152 N177	C46-H48 PolarHBondContact O-N 2.8Å; C46-H48 PolarHBondContact SG-N 2.94Å; H48-C74 HydrophobicContact CB-CB 4.18Å; H48-Y77 PolarHBondContact CE1-O 2.74Å; H48-Y77 VanDerWaalsContact CE1-O 3.28Å; H48-Y77 WeakPolarHBondContact NE2-CB 3.12Å; H48-T151 WeakPolarHBondContact O-CA 3.44Å; H48-T151 VanDerWaalsContact O-CB 3.23Å; H48-T151 WeakPolarHBondContact O-CB 3.25Å; H48-E152 IonicContact CE1-OE1 3.29Å; H48-E152 IonicContact CE1-OE2 3.72Å; H48-E152 IonicContact NE2-OE2 3.37Å; H48-E152 PolarHBondContact O-N 3.37Å; H48-E152 VanDerWaalsContact O-N 3.14Å; H48-N177 PolarHBondContact NE2-ND2 2.56Å
49	C	94.6	Very high	92.4	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.007	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-8	179.7	80.9	0	0	0	0	114	C46 D51 H71 E152 R153	C46-C49 PolarHBondContact SG-N 2.77Å; C49-D51 PolarHBondContact O-N 3.48Å; C49-H71 PolarHBondContact SG-CE1 2.86Å; C49-H71 PolarHBondContact SG-ND1 3.38Å; C49-H71 VanDerWaalsContact SG-ND1 3.4Å; C49-E152 VanDerWaalsContact CA-O 3.29Å; C49-E152 WeakPolarHBondContact CA-O 3.41Å; C49-E152 VanDerWaalsContact CB-O 3.24Å; C49-E152 WeakPolarHBondContact CB-O 3.39Å; C49-R153 WeakPolarHBondContact O-CA 3.39Å
50	K	93.9	Very high	92.5	Very high	44 Å²	44	58.9 Å²	58.9	19%	0.191	29%	0.288	C	S	.	.			trans	66.4	6.8	-179.8	-54.4	-63.3	-175.9	170	0	115.8	F45 C46 G47 D111 T151	F45-K50 WeakPolarHBondContact CD1-O 3.46Å; C46-K50 WeakPolarHBondContact O-CA 3.34Å; C46-K50 PolarHBondContact O-N 3.48Å; G47-K50 VanDerWaalsContact O-CE 3.24Å; G47-K50 WeakPolarHBondContact O-CE 3.49Å; K50-D111 PolarHBondContact NZ-O 3Å; K50-D111 VanDerWaalsContact NZ-O 3.15Å; K50-D111 IonicContact NZ-OD1 2.72Å; K50-D111 PolarHBondContact NZ-OD1 2.87Å; K50-T151 HydrophobicContact CD-CG2 4.43Å; K50-T151 VanDerWaalsContact CE-CG2 3.43Å; K50-T151 HydrophobicContact CG-CG2 4.27Å
51	D	94.2	Very high	92.6	Very high	67 Å²	67	58.5 Å²	58.5	36%	0.358	29%	0.287	S	S	.	.	S	Bend	trans	-89.4	162.3	174.2	-62.6	-42.3	0	0	0	113.5	F45 C46 C49 H71	F45-D51 CarbonylContact C-O 3.57Å; F45-D51 WeakPolarHBondContact CA-O 3.33Å; C46-D51 PolarHBondContact N-O 3.27Å; C49-D51 PolarHBondContact O-N 3.48Å; D51-H71 PolarHBondContact O-CE1 2.68Å
52	F	94.6	Very high	92.9	Very high	72 Å²	72	50.2 Å²	50.2	32%	0.316	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-63.6	132.2	177.4	175.7	-133.6	0	0	0	111.8	F43 T44 F45 W54 H71	F43-F52 HydrophobicContact CB-CE2 4.23Å; F43-F52 HydrophobicContact CD1-CD2 4.1Å; F43-F52 HydrophobicContact CD1-CE1 4Å; F43-F52 AromaticContact CD1-CE2 3.47Å; F43-F52 HydrophobicContact CD1-CE2 3.47Å; F43-F52 VanDerWaalsContact CD1-CE2 3.47Å; F43-F52 AromaticContact CD1-CZ 3.4Å; F43-F52 HydrophobicContact CD1-CZ 3.4Å; F43-F52 HydrophobicContact CE1-CE1 4.06Å; F43-F52 HydrophobicContact CE1-CE2 4.28Å; F43-F52 AromaticContact CE1-CZ 3.75Å; F43-F52 HydrophobicContact CE1-CZ 3.75Å; F43-F52 HydrophobicContact CG-CE2 4.31Å; T44-F52 WeakPolarHBondContact O-CD2 3.15Å; F45-F52 HydrophobicContact CD1-CB 4.19Å; F45-F52 HydrophobicContact CE1-CB 3.87Å; F45-F52 HydrophobicContact CZ-CB 4.26Å; F52-W54 HydrophobicContact CD1-CB 3.83Å; F52-W54 HydrophobicContact CD1-CG 4.46Å; F52-W54 HydrophobicContact CE1-CB 3.54Å; F52-W54 HydrophobicContact CZ-CB 4.09Å; F52-W54 PolarHBondContact O-N 3.03Å; F52-H71 PolarHBondContact O-NE2 2.83Å
53	I	94.1	Very high	93.1	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	24%	0.235	C	C	.	.			trans	-85.3	103.1	174.8	-54.9	174.9	0	0	0	108.9	F40 T44 C46 Q59 A69 H71	F40-I53 HydrophobicContact CD2-CG2 4.34Å; F40-I53 HydrophobicContact CE2-CD1 4.29Å; F40-I53 HydrophobicContact CE2-CG2 4.47Å; T44-I53 HydrophobicContact CG2-CD1 4.16Å; T44-I53 WeakPolarHBondContact O-CB 3.45Å; T44-I53 WeakPolarHBondContact O-CG1 3.23Å; T44-I53 PolarHBondContact O-N 3.28Å; C46-I53 HydrophobicContact CB-CD1 4.22Å; C46-I53 HydrophobicContact CB-CG1 3.97Å; I53-Q59 HydrophobicContact CG2-CB 3.77Å; I53-A69 HydrophobicContact CD1-CB 4.41Å; I53-H71 WeakPolarHBondContact CA-NE2 3.44Å
54	W	89.7	Confident	93.2	Very high	158 Å²	158	45.2 Å²	45.2	60%	0.598	23%	0.23	S	C	*	.			trans	-122.6	166	-179.8	70	-87	0	0	0	111.9	F52	F52-W54 HydrophobicContact CD1-CB 3.83Å; F52-W54 HydrophobicContact CD1-CG 4.46Å; F52-W54 HydrophobicContact CE1-CB 3.54Å; F52-W54 HydrophobicContact CZ-CB 4.09Å; F52-W54 PolarHBondContact O-N 3.03Å
55	G	85.8	Confident	93.1	Very high	34 Å²	34	47.9 Å²	47.9	35%	0.351	24%	0.244	S	C	.	.			trans	141.5	173.5	179.2	0	0	0	0	0	112.7	Q59	G55-Q59 WeakPolarHBondContact O-CG 3.37Å
56	L	83.9	Confident	93	Very high	175 Å²	175	44.9 Å²	44.9	92%	0.916	23%	0.231	S	C	*	.	S	Bend	trans	-83.5	140.8	175.1	-61	176.9	0	0	0	110.9
57	G	89.8	Confident	92.9	Very high	42 Å²	42	47.2 Å²	47.2	43%	0.433	25%	0.247	S	C	.	.	S	Bend	trans	65.4	-140.7	179.4	0	0	0	0	0	112.5	F39 Q59	F39-G57 WeakPolarHBondContact CD2-O 3.35Å; G57-Q59 WeakPolarHBondContact O-CG 3.26Å; G57-Q59 PolarHBondContact O-N 3.32Å; G57-Q59 PolarHBondContact O-NE2 3.19Å; G57-Q59 VanDerWaalsContact O-NE2 3.07Å; G57-Q59 PolarHBondContact O-OE1 3.38Å; G57-Q59 VanDerWaalsContact O-OE1 3.07Å
58	K	90.4	Very high	92.9	Very high	105 Å²	105	47.2 Å²	47.2	46%	0.457	25%	0.245	S	C	.	.	S	Bend	trans	-68.2	100.2	-179.9	-64.3	173.3	-176.4	171.3	0	109.4	A37 K38 F39 K72	A37-K58 HydrophobicContact CB-CB 4.25Å; A37-K58 HydrophobicContact CB-CD 3.74Å; K38-K58 CarbonylContact O-C 3.57Å; K38-K58 WeakPolarHBondContact O-CA 3.15Å; F39-K58 HydrophobicContact CB-CG 4.34Å; K58-K72 WeakPolarHBondContact O-CE 3.44Å; K58-K72 PolarHBondContact O-NZ 2.81Å
59	Q	91.9	Very high	93.1	Very high	29 Å²	29	47 Å²	47	14%	0.136	24%	0.244	C	C	.	.			trans	-75	-30.7	-168.4	-54.4	89.4	-11	0	0	113.3	K38 I53 G55 G57	K38-Q59 PolarHBondContact O-N 3.47Å; I53-Q59 HydrophobicContact CG2-CB 3.77Å; G55-Q59 WeakPolarHBondContact O-CG 3.37Å; G57-Q59 WeakPolarHBondContact O-CG 3.26Å; G57-Q59 PolarHBondContact O-N 3.32Å; G57-Q59 PolarHBondContact O-NE2 3.19Å; G57-Q59 VanDerWaalsContact O-NE2 3.07Å; G57-Q59 PolarHBondContact O-OE1 3.38Å; G57-Q59 VanDerWaalsContact O-OE1 3.07Å
60	G	95.3	Very high	93.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	-164.6	-176.9	0	0	0	0	0	112.7	A37 K38 A70	A37-G60 WeakPolarHBondContact CA-O 3.21Å; K38-G60 PolarHBondContact N-O 2.76Å; G60-A70 WeakPolarHBondContact CA-O 3.45Å
61	V	96.3	Very high	93.3	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	154.8	174.8	-59.4	0	0	0	0	110.4	F35 V36 A70 K72 Y75	F35-V61 HydrophobicContact CB-CB 4.23Å; F35-V61 HydrophobicContact CB-CG2 4.3Å; F35-V61 HydrophobicContact CD1-CB 4.19Å; F35-V61 HydrophobicContact CD1-CG2 3.68Å; F35-V61 HydrophobicContact CE1-CG2 4.3Å; F35-V61 HydrophobicContact CG-CG2 4.14Å; V36-V61 CarbonylContact O-C 3.57Å; V36-V61 VanDerWaalsContact O-CA 3.27Å; V36-V61 WeakPolarHBondContact O-CA 3.33Å; V61-A70 HydrophobicContact CG2-CB 4.29Å; V61-A70 PolarHBondContact N-O 2.8Å; V61-A70 PolarHBondContact O-N 3.08Å; V61-K72 HydrophobicContact CG1-CG 4.35Å; V61-Y75 HydrophobicContact CG1-CD1 4.44Å; V61-Y75 VanDerWaalsContact CG2-CB 3.49Å; V61-Y75 HydrophobicContact CG2-CD1 4.09Å; V61-Y75 HydrophobicContact CG2-CG 3.97Å
62	Q	96.5	Very high	93.3	Very high	25 Å²	25	47.8 Å²	47.8	12%	0.117	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.8	172	-165.1	-176.2	31.6	0	0	110.1	V36 K38 F40 Q64 C67 F68	V36-Q62 PolarHBondContact N-O 2.97Å; V36-Q62 PolarHBondContact O-N 2.94Å; K38-Q62 HydrophobicContact CB-CB 4.37Å; K38-Q62 HydrophobicContact CD-CB 3.83Å; K38-Q62 HydrophobicContact CD-CG 4.49Å; F40-Q62 HydrophobicContact CZ-CB 4.13Å; Q62-Q64 PolarHBondContact O-N 2.91Å; Q62-C67 WeakPolarHBondContact CG-O 3.46Å; Q62-C67 PolarHBondContact NE2-O 3.14Å; Q62-F68 CarbonylContact C-O 3.56Å; Q62-F68 VanDerWaalsContact CA-O 3.28Å; Q62-F68 WeakPolarHBondContact CA-O 3.41Å; Q62-F68 WeakPolarHBondContact CG-O 3.21Å
63	C	96.1	Very high	93.2	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.007	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	127	170.2	-179.7	0	0	0	0	109.6	H33 K34 F35 I65 C67 F68	H33-C63 HydrophobicContact CB-CB 4.17Å; K34-C63 PolarHBondContact N-SG 3.06Å; K34-C63 CarbonylContact O-C 3.56Å; K34-C63 WeakPolarHBondContact O-CA 3.45Å; F35-C63 HydrophobicContact CD1-CB 4.13Å; F35-C63 HydrophobicContact CE1-CB 3.96Å; C63-I65 PolarHBondContact O-N 3.3Å; C63-I65 PolarHBondContact SG-N 3.12Å; C63-I65 VanDerWaalsContact SG-N 3.42Å; C63-C67 WeakPolarHBondContact O-CA 3.35Å; C63-C67 PolarHBondContact O-N 3.27Å; C63-F68 HydrophobicContact CB-CB 4.37Å; C63-F68 PolarHBondContact N-O 3.3Å
64	Q	94.3	Very high	93.2	Very high	109 Å²	109	47.1 Å²	47.1	51%	0.509	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.8	178	-65.8	-172.7	-65.9	0	0	113.3	K34 V36 Q62	K34-Q64 PolarHBondContact O-N 2.98Å; V36-Q64 HydrophobicContact CB-CG 4.28Å; V36-Q64 VanDerWaalsContact CG1-CD 3.43Å; V36-Q64 HydrophobicContact CG1-CG 3.73Å; V36-Q64 HydrophobicContact CG2-CG 3.55Å; Q62-Q64 PolarHBondContact O-N 2.91Å
65	I	92.9	Very high	93.5	Very high	57 Å²	57	40.9 Å²	40.9	29%	0.292	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-72.7	-177.4	-56	171.4	0	0	0	109.3	K34 C63 G84	K34-I65 HydrophobicContact CB-CD1 4.23Å; K34-I65 HydrophobicContact CB-CG1 4.35Å; K34-I65 HydrophobicContact CD-CD1 4.02Å; K34-I65 HydrophobicContact CD-CG1 4.46Å; K34-I65 HydrophobicContact CG-CD1 3.94Å; C63-I65 PolarHBondContact O-N 3.3Å; C63-I65 PolarHBondContact SG-N 3.12Å; C63-I65 VanDerWaalsContact SG-N 3.42Å; I65-G84 WeakPolarHBondContact CG2-O 3.36Å
66	C	93.3	Very high	93.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.2	-173.2	69.2	0	0	0	0	114.2	H33 F68 P83 H112 N141	H33-C66 PolarHBondContact CE1-SG 2.8Å; H33-C66 PolarHBondContact ND1-SG 3.24Å; H33-C66 VanDerWaalsContact ND1-SG 3.39Å; C66-F68 VanDerWaalsContact C-N 3.26Å; C66-F68 PolarHBondContact O-N 3.28Å; C66-F68 VanDerWaalsContact SG-CB 3.53Å; C66-P83 HydrophobicContact CB-CG 4.05Å; C66-H112 PolarHBondContact O-NE2 2.89Å; C66-N141 HydrophobicContact CB-CB 4.1Å
67	C	94.9	Very high	94.2	Very high	51 Å²	51	37.9 Å²	37.9	35%	0.345	19%	0.187	S	C	.	.			trans	67	12.3	-174.6	-63.8	0	0	0	0	116.4	Q62 C63 A69 C113	Q62-C67 WeakPolarHBondContact CG-O 3.46Å; Q62-C67 PolarHBondContact NE2-O 3.14Å; C63-C67 WeakPolarHBondContact O-CA 3.35Å; C63-C67 PolarHBondContact O-N 3.27Å; C67-A69 PolarHBondContact O-N 3.37Å; C67-C113 WeakPolarHBondContact O-CB 3.17Å
68	F	95.6	Very high	94.2	Very high	7 Å²	7	36 Å²	36	3%	0.031	17%	0.167	C	C	.	.			trans	-58	129.9	173.8	-174	-102.5	0	0	0	111.2	F35 Q62 C63 C66 A70 V78 F80 H112	F35-F68 HydrophobicContact CE1-CD1 4.06Å; F35-F68 HydrophobicContact CZ-CD1 4.08Å; Q62-F68 CarbonylContact C-O 3.56Å; Q62-F68 VanDerWaalsContact CA-O 3.28Å; Q62-F68 WeakPolarHBondContact CA-O 3.41Å; Q62-F68 WeakPolarHBondContact CG-O 3.21Å; C63-F68 HydrophobicContact CB-CB 4.37Å; C63-F68 PolarHBondContact N-O 3.3Å; C66-F68 VanDerWaalsContact C-N 3.26Å; C66-F68 PolarHBondContact O-N 3.28Å; C66-F68 VanDerWaalsContact SG-CB 3.53Å; F68-A70 HydrophobicContact CE1-CB 4.15Å; F68-V78 HydrophobicContact CD1-CG2 4.36Å; F68-V78 HydrophobicContact CE1-CG1 4.19Å; F68-V78 HydrophobicContact CE1-CG2 3.58Å; F68-V78 HydrophobicContact CZ-CG2 4.34Å; F68-F80 HydrophobicContact CD1-CZ 4.5Å; F68-F80 AromaticContact CD2-CZ 3.82Å; F68-F80 HydrophobicContact CD2-CZ 3.82Å; F68-F80 HydrophobicContact CE1-CZ 4.42Å; F68-F80 HydrophobicContact CE2-CE1 4.06Å; F68-F80 AromaticContact CE2-CZ 3.7Å; F68-F80 HydrophobicContact CE2-CZ 3.7Å; F68-F80 HydrophobicContact CG-CZ 4.2Å; F68-F80 HydrophobicContact CZ-CE1 4.08Å; F68-F80 HydrophobicContact CZ-CZ 4.02Å; F68-H112 WeakPolarHBondContact CA-O 3.37Å; F68-H112 AromaticContact CD2-CE1 3.94Å; F68-H112 AromaticContact CD2-ND1 3.59Å; F68-H112 WeakPolarHBondContact CD2-O 3.43Å
69	A	96.8	Very high	93.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.6	-176.2	0	0	0	0	0	111.7	F40 T44 G47 I53 C67 H112 C113	F40-A69 HydrophobicContact CE1-CB 4.12Å; F40-A69 HydrophobicContact CZ-CB 3.95Å; T44-A69 HydrophobicContact CG2-CB 4.13Å; G47-A69 PolarHBondContact N-O 2.8Å; I53-A69 HydrophobicContact CD1-CB 4.41Å; C67-A69 PolarHBondContact O-N 3.37Å; A69-H112 PolarHBondContact N-O 3.04Å; A69-C113 WeakPolarHBondContact CB-O 3.45Å
70	A	96.7	Very high	93.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	159.6	178.6	0	0	0	0	0	112.7	C46 G60 V61 F68 C74	C46-A70 VanDerWaalsContact SG-CA 3.54Å; G60-A70 WeakPolarHBondContact CA-O 3.45Å; V61-A70 HydrophobicContact CG2-CB 4.29Å; V61-A70 PolarHBondContact N-O 2.8Å; V61-A70 PolarHBondContact O-N 3.08Å; F68-A70 HydrophobicContact CE1-CB 4.15Å; A70-C74 HydrophobicContact CB-CB 4.31Å
71	H	95.6	Very high	93.3	Very high	16 Å²	16	38.4 Å²	38.4	7%	0.074	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	155.7	166.2	-60.1	95.7	0	0	0	110.5	C46 C49 D51 F52 I53 R73 C74 Y75	C46-H71 WeakPolarHBondContact CB-CE1 3.43Å; C46-H71 WeakPolarHBondContact CB-ND1 3.32Å; C49-H71 PolarHBondContact SG-CE1 2.86Å; C49-H71 PolarHBondContact SG-ND1 3.38Å; C49-H71 VanDerWaalsContact SG-ND1 3.4Å; D51-H71 PolarHBondContact O-CE1 2.68Å; F52-H71 PolarHBondContact O-NE2 2.83Å; I53-H71 WeakPolarHBondContact CA-NE2 3.44Å; H71-R73 HydrophobicContact CB-CG 3.85Å; H71-R73 PolarHBondContact O-N 2.78Å; H71-R73 VanDerWaalsContact O-N 3.16Å; H71-C74 HydrophobicContact CB-CB 4.16Å; H71-C74 PolarHBondContact O-N 3.27Å; H71-Y75 PolarHBondContact O-N 2.87Å
72	K	94.3	Very high	93	Very high	112 Å²	112	38 Å²	38	49%	0.487	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.2	171.8	-67.8	179.4	-177.2	164.3	0	113.2	K58 V61 Y75	K58-K72 WeakPolarHBondContact O-CE 3.44Å; K58-K72 PolarHBondContact O-NZ 2.81Å; V61-K72 HydrophobicContact CG1-CG 4.35Å; K72-Y75 WeakPolarHBondContact O-CD1 3.42Å; K72-Y75 WeakPolarHBondContact O-CE1 3.43Å
73	R	92.7	Very high	92.6	Very high	62 Å²	62	38.5 Å²	38.5	23%	0.234	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-22	176.6	65.9	-173.7	-170.4	114.8	-6.6	113.6	H71 Y77 N177 L178 P180	H71-R73 HydrophobicContact CB-CG 3.85Å; H71-R73 PolarHBondContact O-N 2.78Å; H71-R73 VanDerWaalsContact O-N 3.16Å; R73-Y77 VanDerWaalsContact O-CD2 3.26Å; R73-Y77 WeakPolarHBondContact O-CD2 3.3Å; R73-Y77 WeakPolarHBondContact O-CE2 3.47Å; R73-N177 WeakPolarHBondContact CG-OD1 3.16Å; R73-N177 PolarHBondContact NH1-O 3.21Å; R73-N177 PolarHBondContact NH1-OD1 3.4Å; R73-L178 PolarHBondContact NH1-O 2.91Å; R73-P180 VanDerWaalsContact CZ-CD 3.42Å
74	C	95.6	Very high	92	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-22.7	-169.9	-65.5	0	0	0	0	114.3	H48 A70 H71 Q76 Y77 N177	H48-C74 HydrophobicContact CB-CB 4.18Å; A70-C74 HydrophobicContact CB-CB 4.31Å; H71-C74 HydrophobicContact CB-CB 4.16Å; H71-C74 PolarHBondContact O-N 3.27Å; C74-Q76 PolarHBondContact O-N 3.42Å; C74-Y77 PolarHBondContact O-N 3.3Å; C74-N177 PolarHBondContact SG-ND2 3.3Å; C74-N177 VanDerWaalsContact SG-ND2 3.45Å
75	Y	94.1	Very high	91.3	Very high	26 Å²	26	36.2 Å²	36.2	10%	0.102	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-63.8	-28.5	-169.4	79.6	-92	0	0	0	114.1	I28 V30 F35 V61 H71 K72 Y77 V78	I28-Y75 HydrophobicContact CB-CE2 4.32Å; I28-Y75 HydrophobicContact CD1-CE2 4.42Å; I28-Y75 HydrophobicContact CG2-CE2 3.62Å; V30-Y75 HydrophobicContact CG2-CD2 3.74Å; V30-Y75 HydrophobicContact CG2-CE2 3.7Å; F35-Y75 AromaticContact CD2-CD2 3.87Å; F35-Y75 HydrophobicContact CD2-CD2 3.87Å; F35-Y75 HydrophobicContact CD2-CG 4.36Å; F35-Y75 HydrophobicContact CE2-CD2 4.34Å; F35-Y75 HydrophobicContact CG-CD2 4.36Å; V61-Y75 HydrophobicContact CG1-CD1 4.44Å; V61-Y75 VanDerWaalsContact CG2-CB 3.49Å; V61-Y75 HydrophobicContact CG2-CD1 4.09Å; V61-Y75 HydrophobicContact CG2-CG 3.97Å; H71-Y75 PolarHBondContact O-N 2.87Å; K72-Y75 WeakPolarHBondContact O-CD1 3.42Å; K72-Y75 WeakPolarHBondContact O-CE1 3.43Å; Y75-Y77 PolarHBondContact O-N 3.02Å; Y75-V78 WeakPolarHBondContact O-CG2 3.2Å; Y75-V78 PolarHBondContact O-N 3.11Å
76	Q	92.4	Very high	90.1	Very high	119 Å²	119	41.9 Å²	41.9	56%	0.556	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-70.8	-18	176.9	-64.2	-178.8	-13.4	0	0	112.8	C74	C74-Q76 PolarHBondContact O-N 3.42Å
77	Y	91.9	Very high	88.7	Confident	27 Å²	27	44.8 Å²	44.8	11%	0.106	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-99.1	6.2	-177.2	-58.9	-75.7	0	0	0	112.4	H48 R73 C74 Y75 A79 R176 N177 N215	H48-Y77 PolarHBondContact CE1-O 2.74Å; H48-Y77 VanDerWaalsContact CE1-O 3.28Å; H48-Y77 WeakPolarHBondContact NE2-CB 3.12Å; R73-Y77 VanDerWaalsContact O-CD2 3.26Å; R73-Y77 WeakPolarHBondContact O-CD2 3.3Å; R73-Y77 WeakPolarHBondContact O-CE2 3.47Å; C74-Y77 PolarHBondContact O-N 3.3Å; Y75-Y77 PolarHBondContact O-N 3.02Å; Y77-A79 PolarHBondContact O-N 3.3Å; Y77-A79 VanDerWaalsContact O-N 3.12Å; Y77-R176 HydrophobicContact CE1-CB 3.95Å; Y77-R176 WeakPolarHBondContact OH-CB 3.39Å; Y77-N177 HydrophobicContact CD2-CB 3.8Å; Y77-N177 HydrophobicContact CE2-CB 3.54Å; Y77-N177 HydrophobicContact CG-CB 4.41Å; Y77-N215 PolarHBondContact OH-OD1 2.98Å
78	V	90.4	Very high	87.1	Confident	3 Å²	3	45 Å²	45	2%	0.018	24%	0.244	C	C	.	.			trans	-74	101.8	174.4	179.9	0	0	0	0	108.6	N31 F35 F68 Y75 F80	N31-V78 PolarHBondContact ND2-O 3.13Å; F35-V78 HydrophobicContact CZ-CG2 4.37Å; F68-V78 HydrophobicContact CD1-CG2 4.36Å; F68-V78 HydrophobicContact CE1-CG1 4.19Å; F68-V78 HydrophobicContact CE1-CG2 3.58Å; F68-V78 HydrophobicContact CZ-CG2 4.34Å; Y75-V78 WeakPolarHBondContact O-CG2 3.2Å; Y75-V78 PolarHBondContact O-N 3.11Å; V78-F80 HydrophobicContact CG1-CD1 3.8Å; V78-F80 HydrophobicContact CG1-CE1 3.57Å; V78-F80 HydrophobicContact CG1-CE2 4.35Å; V78-F80 HydrophobicContact CG1-CG 4.29Å; V78-F80 HydrophobicContact CG1-CZ 3.86Å
79	A	85.1	Confident	85.1	Confident	19 Å²	19	51.1 Å²	51.1	16%	0.157	29%	0.285	C	S	.	.			trans	-78.8	-15.8	-173.2	0	0	0	0	0	114.7	Y77 T286	Y77-A79 PolarHBondContact O-N 3.3Å; Y77-A79 VanDerWaalsContact O-N 3.12Å; A79-T286 WeakPolarHBondContact CB-OG1 3.42Å
80	F	86.3	Confident	82.9	Confident	25 Å²	25	60.3 Å²	60.3	11%	0.11	33%	0.328	C	S	.	.	S	Bend	trans	-93.8	149.1	-177.9	67.3	-94.1	0	0	0	112	H33 F68 V78 P143 L145	H33-F80 AromaticContact CE1-CE2 3.62Å; H33-F80 AromaticContact NE2-CD2 3.77Å; H33-F80 AromaticContact NE2-CE2 3.43Å; H33-F80 WeakPolarHBondContact NE2-CE2 3.49Å; H33-F80 PolarHBondContact NE2-O 2.69Å; F68-F80 HydrophobicContact CD1-CZ 4.5Å; F68-F80 AromaticContact CD2-CZ 3.82Å; F68-F80 HydrophobicContact CD2-CZ 3.82Å; F68-F80 HydrophobicContact CE1-CZ 4.42Å; F68-F80 HydrophobicContact CE2-CE1 4.06Å; F68-F80 AromaticContact CE2-CZ 3.7Å; F68-F80 HydrophobicContact CE2-CZ 3.7Å; F68-F80 HydrophobicContact CG-CZ 4.2Å; F68-F80 HydrophobicContact CZ-CE1 4.08Å; F68-F80 HydrophobicContact CZ-CZ 4.02Å; V78-F80 HydrophobicContact CG1-CD1 3.8Å; V78-F80 HydrophobicContact CG1-CE1 3.57Å; V78-F80 HydrophobicContact CG1-CE2 4.35Å; V78-F80 HydrophobicContact CG1-CG 4.29Å; V78-F80 HydrophobicContact CG1-CZ 3.86Å; F80-P143 HydrophobicContact CD1-CG 4.43Å; F80-P143 HydrophobicContact CD2-CB 3.66Å; F80-P143 HydrophobicContact CD2-CG 3.81Å; F80-P143 HydrophobicContact CE1-CG 4.34Å; F80-P143 HydrophobicContact CE2-CB 4Å; F80-P143 HydrophobicContact CE2-CG 3.72Å; F80-P143 HydrophobicContact CG-CB 4.12Å; F80-P143 HydrophobicContact CG-CG 4.18Å; F80-P143 HydrophobicContact CZ-CG 4.01Å; F80-L145 HydrophobicContact CB-CD1 3.44Å; F80-L145 VanDerWaalsContact CB-CD1 3.44Å; F80-L145 HydrophobicContact CD1-CD1 4.46Å; F80-L145 HydrophobicContact CG-CD1 4.07Å
81	K	87.8	Confident	80.7	Confident	140 Å²	140	62.9 Å²	62.9	61%	0.609	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-71.9	144.9	175.7	-64.7	-177.3	-179.8	176.7	0	111.6	N31 P83 L87	N31-K81 CarbonylContact O-C 3.53Å; N31-K81 VanDerWaalsContact O-CA 3.3Å; N31-K81 WeakPolarHBondContact O-CA 3.27Å; K81-P83 VanDerWaalsContact O-CD 3.31Å; K81-P83 WeakPolarHBondContact O-CD 3.35Å; K81-P83 VanDerWaalsContact O-N 3.14Å; K81-L87 HydrophobicContact CB-CD2 3.86Å; K81-L87 HydrophobicContact CD-CD2 3.98Å
82	C	90.5	Very high	78.5	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-58.7	117.7	177.8	-179	0	0	0	0	110.7	N31 G32 H33 G84 A85	N31-C82 PolarHBondContact O-N 3.47Å; G32-C82 VanDerWaalsContact O-CB 3.31Å; G32-C82 WeakPolarHBondContact O-CB 3.44Å; H33-C82 HydrophobicContact CB-CB 4.27Å; H33-C82 VanDerWaalsContact NE2-CA 3.34Å; H33-C82 WeakPolarHBondContact NE2-CA 3.46Å; H33-C82 PolarHBondContact NE2-N 3.41Å; C82-G84 PolarHBondContact O-N 3.21Å; C82-A85 HydrophobicContact CB-CB 4.02Å; C82-A85 WeakPolarHBondContact O-CB 3.47Å; C82-A85 PolarHBondContact O-N 3.03Å
83	P	87.1	Confident	76.9	Confident	34 Å²	34	64.7 Å²	64.7	22%	0.221	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.1	-176.4	25.7	-34	0	0	0	113.6	C66 K81 N141	C66-P83 HydrophobicContact CB-CG 4.05Å; K81-P83 VanDerWaalsContact O-CD 3.31Å; K81-P83 WeakPolarHBondContact O-CD 3.35Å; K81-P83 VanDerWaalsContact O-N 3.14Å; P83-N141 WeakPolarHBondContact CG-O 3.44Å
84	G	83	Confident	75.7	Confident	35 Å²	35	71.8 Å²	71.8	36%	0.361	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	1.9	174.3	0	0	0	0	0	114.3	I65 C82	I65-G84 WeakPolarHBondContact CG2-O 3.36Å; C82-G84 PolarHBondContact O-N 3.21Å
85	A	79.6	Confident	74.8	Confident	27 Å²	27	76.6 Å²	76.6	22%	0.223	42%	0.415	C	S	.	.	S	Bend	trans	-75.6	154.2	168.4	0	0	0	0	0	109.1	C82 L87	C82-A85 HydrophobicContact CB-CB 4.02Å; C82-A85 WeakPolarHBondContact O-CB 3.47Å; C82-A85 PolarHBondContact O-N 3.03Å; A85-L87 WeakPolarHBondContact O-CG 3.34Å; A85-L87 PolarHBondContact O-N 2.92Å
86	D	68.4	Low	74.3	Confident	176 Å²	176	81.8 Å²	81.8	94%	0.941	43%	0.434	S	S	*	.			trans	-64.1	97.2	171.8	-79.3	-35.8	0	0	0	109	G88	D86-G88 VanDerWaalsContact C-N 3.34Å
87	L	62.8	Low	74.1	Confident	62 Å²	62	77.6 Å²	77.6	33%	0.325	42%	0.415	S	S	.	.			trans	-87.6	0.1	-175.6	-71.8	169.9	0	0	0	113.6	K81 A85 C91	K81-L87 HydrophobicContact CB-CD2 3.86Å; K81-L87 HydrophobicContact CD-CD2 3.98Å; A85-L87 WeakPolarHBondContact O-CG 3.34Å; A85-L87 PolarHBondContact O-N 2.92Å; L87-C91 HydrophobicContact CB-CB 3.88Å; L87-C91 HydrophobicContact CD1-CB 4.27Å
88	G	61.2	Low	74.1	Confident	56 Å²	56	82.1 Å²	82.1	58%	0.577	44%	0.435	S	S	*	.			trans	63	-178.8	-173.4	0	0	0	0	0	113.3	D86 E90	D86-G88 VanDerWaalsContact C-N 3.34Å; G88-E90 VanDerWaalsContact C-N 3.29Å; G88-E90 PolarHBondContact O-N 3.35Å
89	P	55	Low	74.3	Confident	135 Å²	135	83.3 Å²	83.3	88%	0.877	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-9.6	-173.6	25.7	-32	0	0	0	115.4
90	E	50.1	Low	74.7	Confident	193 Å²	193	87.5 Å²	87.5	90%	0.902	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	0.2	-171.2	-65.5	-172.6	164.2	0	0	115	G88 D92	G88-E90 VanDerWaalsContact C-N 3.29Å; G88-E90 PolarHBondContact O-N 3.35Å; E90-D92 PolarHBondContact O-N 2.56Å
91	C	50.5	Low	75.2	Confident	53 Å²	53	90.4 Å²	90.4	36%	0.358	47%	0.471	S	S	.	.			trans	-96.3	36.3	-174.2	-150.4	0	0	0	0	114.5	L87 S93	L87-C91 HydrophobicContact CB-CB 3.88Å; L87-C91 HydrophobicContact CD1-CB 4.27Å; C91-S93 PolarHBondContact O-N 3.45Å
92	D	50.2	Low	75.4	Confident	116 Å²	116	87.1 Å²	87.1	62%	0.62	46%	0.457	S	S	*	.			trans	-81.8	65.6	173.1	-130	0.8	0	0	0	110.4	E90 K94 R96	E90-D92 PolarHBondContact O-N 2.56Å; D92-K94 PolarHBondContact O-N 3.45Å; D92-K94 VanDerWaalsContact O-N 3.16Å; D92-R96 IonicContact OD1-CZ 3.92Å; D92-R96 IonicContact OD1-NE 3.3Å; D92-R96 IonicContact OD1-NH2 2.98Å; D92-R96 PolarHBondContact OD1-NH2 2.9Å
93	S	60.2	Low	75.7	Confident	51 Å²	51	90.4 Å²	90.4	36%	0.357	48%	0.478	S	S	.	.			trans	-60	118.6	172.6	-78.8	0	0	0	0	109.7	C91 R95	C91-S93 PolarHBondContact O-N 3.45Å; S93-R95 PolarHBondContact O-N 3Å
94	K	67.5	Low	75.9	Confident	210 Å²	210	90 Å²	90	91%	0.913	47%	0.472	S	S	*	.	S	Bend	trans	-61	-13.5	179.8	-66	-178.7	179.5	177	0	114.1	D92 R96	D92-K94 PolarHBondContact O-N 3.45Å; D92-K94 VanDerWaalsContact O-N 3.16Å; K94-R96 VanDerWaalsContact C-N 3.29Å; K94-R96 PolarHBondContact O-N 2.98Å; K94-R96 VanDerWaalsContact O-N 3.11Å
95	R	77.3	Confident	76.2	Confident	102 Å²	102	94.6 Å²	94.6	39%	0.385	50%	0.499	S	S	.	.			trans	-88	53.5	-176.4	-61.4	-171.7	-177.3	-142	0.9	112.9	S93 H144 L145 C146 V148	S93-R95 PolarHBondContact O-N 3Å; R95-H144 CarbonylContact O-C 3.55Å; R95-L145 PolarHBondContact O-N 3.21Å; R95-C146 HydrophobicContact CB-CB 4.45Å; R95-C146 WeakPolarHBondContact O-CB 3.3Å; R95-C146 PolarHBondContact O-N 3.18Å; R95-V148 VanDerWaalsContact NH1-CG2 3.32Å
96	R	83.5	Confident	76.7	Confident	134 Å²	134	96.7 Å²	96.7	51%	0.506	51%	0.512	S	S	.	.			trans	-72.2	145.7	176.9	-68.8	178.6	176.5	-97.1	4.6	111.2	D92 K94 H144 C146	D92-R96 IonicContact OD1-CZ 3.92Å; D92-R96 IonicContact OD1-NE 3.3Å; D92-R96 IonicContact OD1-NH2 2.98Å; D92-R96 PolarHBondContact OD1-NH2 2.9Å; K94-R96 VanDerWaalsContact C-N 3.29Å; K94-R96 PolarHBondContact O-N 2.98Å; K94-R96 VanDerWaalsContact O-N 3.11Å; R96-H144 HydrophobicContact CG-CB 4.43Å; R96-H144 PolarHBondContact NH1-CE1 3.1Å; R96-H144 PolarHBondContact NH1-NE2 2.95Å; R96-H144 VanDerWaalsContact NH1-NE2 3.15Å; R96-C146 WeakPolarHBondContact O-CB 3.4Å
97	H	88.2	Confident	77.9	Confident	31 Å²	31	93.6 Å²	93.6	14%	0.144	50%	0.501	C	S	.	.			trans	-77.6	136.1	174.4	-67.7	-86.1	0	0	0	110.8	F99 C127 C130 P143 C146	H97-F99 HydrophobicContact CB-CD2 3.66Å; H97-F99 HydrophobicContact CB-CE1 4.34Å; H97-F99 HydrophobicContact CB-CE2 3.26Å; H97-F99 HydrophobicContact CB-CG 4.37Å; H97-F99 HydrophobicContact CB-CZ 3.63Å; H97-F99 AromaticContact CG-CE2 3.8Å; H97-F99 AromaticContact CG-CZ 3.79Å; H97-F99 PolarHBondContact O-N 2.86Å; H97-C127 HydrophobicContact CB-CB 4.39Å; H97-C130 PolarHBondContact CE1-SG 2.88Å; H97-C130 PolarHBondContact ND1-SG 2.71Å; H97-P143 PolarHBondContact CD2-O 3.32Å; H97-P143 PolarHBondContact NE2-O 2.81Å; H97-P143 VanDerWaalsContact NE2-O 3.16Å; H97-C146 VanDerWaalsContact CE1-CA 3.46Å; H97-C146 WeakPolarHBondContact CE1-CA 3.39Å
98	K	90.4	Very high	79.4	Confident	122 Å²	122	91.9 Å²	91.9	53%	0.53	49%	0.494	S	S	.	.			trans	-94.9	84.9	169.5	-169.6	174.2	-176.6	173.9	0	110.3	C127 Q128 N129	K98-C127 CarbonylContact O-C 3.55Å; K98-C127 WeakPolarHBondContact O-CA 3.17Å; K98-Q128 PolarHBondContact O-N 3.26Å; K98-N129 WeakPolarHBondContact CB-OD1 3.03Å
99	F	94.9	Very high	81	Confident	29 Å²	29	91.8 Å²	91.8	13%	0.127	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	140.3	-178.7	-76.4	-63.2	0	0	0	112.4	H97 L125 C127 M132 V134 E139 V142	H97-F99 HydrophobicContact CB-CD2 3.66Å; H97-F99 HydrophobicContact CB-CE1 4.34Å; H97-F99 HydrophobicContact CB-CE2 3.26Å; H97-F99 HydrophobicContact CB-CG 4.37Å; H97-F99 HydrophobicContact CB-CZ 3.63Å; H97-F99 AromaticContact CG-CE2 3.8Å; H97-F99 AromaticContact CG-CZ 3.79Å; H97-F99 PolarHBondContact O-N 2.86Å; F99-L125 HydrophobicContact CB-CB 4Å; F99-L125 HydrophobicContact CB-CD1 4.17Å; F99-L125 HydrophobicContact CD1-CB 3.87Å; F99-L125 HydrophobicContact CG-CB 4.15Å; F99-L125 HydrophobicContact CG-CD1 4.48Å; F99-C127 HydrophobicContact CD1-CB 3.97Å; F99-C127 HydrophobicContact CE1-CB 3.76Å; F99-C127 HydrophobicContact CZ-CB 4.44Å; F99-M132 HydrophobicContact CE1-CB 4.46Å; F99-M132 HydrophobicContact CZ-SD 4.37Å; F99-V134 HydrophobicContact CD1-CG2 3.86Å; F99-V134 HydrophobicContact CE1-CB 4.43Å; F99-V134 HydrophobicContact CE1-CG1 4.15Å; F99-V134 HydrophobicContact CE1-CG2 3.48Å; F99-V134 VanDerWaalsContact CE1-CG2 3.48Å; F99-V134 HydrophobicContact CE2-CG2 4.18Å; F99-V134 HydrophobicContact CG-CG2 4.41Å; F99-V134 HydrophobicContact CZ-CG1 4.05Å; F99-V134 HydrophobicContact CZ-CG2 3.66Å; F99-E139 HydrophobicContact CD2-CG 3.87Å; F99-E139 HydrophobicContact CE2-CG 4.43Å; F99-V142 HydrophobicContact CE2-CG1 4.43Å; F99-V142 HydrophobicContact CZ-CG1 4.26Å
100	K	94.6	Very high	83	Confident	107 Å²	107	85.4 Å²	85.4	47%	0.465	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.6	169	-73.7	-164.1	179.4	164.7	0	111.2	H102 L125 K126 Q128	K100-H102 PolarHBondContact O-N 2.92Å; K100-L125 CarbonylContact O-C 3.59Å; K100-L125 VanDerWaalsContact O-CA 3.29Å; K100-L125 WeakPolarHBondContact O-CA 3.37Å; K100-K126 PolarHBondContact N-O 2.82Å; K100-K126 PolarHBondContact O-N 2.87Å; K100-Q128 HydrophobicContact CB-CG 4.39Å; K100-Q128 HydrophobicContact CD-CG 4.01Å; K100-Q128 HydrophobicContact CG-CG 3.98Å; K100-Q128 VanDerWaalsContact NZ-OE1 3.11Å
101	L	95.8	Very high	85.1	Confident	86 Å²	86	78.1 Å²	78.1	45%	0.45	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	130.4	171.1	-74.8	168.8	0	0	0	110.3	Q122 L125 K136	L101-Q122 HydrophobicContact CD2-CB 4.41Å; L101-L125 HydrophobicContact CD2-CD2 3.85Å; L101-L125 HydrophobicContact CG-CD2 4.09Å; L101-K136 HydrophobicContact CD2-CD 4.11Å
102	H	93.6	Very high	87.2	Confident	70 Å²	70	75.7 Å²	75.7	32%	0.324	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.5	-175.9	-166.5	73.2	0	0	0	111.6	K100 Y104 Q122 Q123 G124 K126	K100-H102 PolarHBondContact O-N 2.92Å; H102-Y104 HydrophobicContact CB-CE2 4.09Å; H102-Y104 AromaticContact CD2-CD1 3.58Å; H102-Y104 AromaticContact CD2-CE1 3.41Å; H102-Y104 VanDerWaalsContact CD2-CE1 3.41Å; H102-Y104 WeakPolarHBondContact CD2-CE1 3.49Å; H102-Y104 AromaticContact CD2-CE2 3.87Å; H102-Y104 AromaticContact CD2-CG 3.87Å; H102-Y104 AromaticContact CD2-CZ 3.58Å; H102-Q122 CarbonylContact O-C 3.54Å; H102-Q122 VanDerWaalsContact O-CA 3.3Å; H102-Q122 WeakPolarHBondContact O-CA 3.5Å; H102-Q123 PolarHBondContact O-N 3.19Å; H102-G124 PolarHBondContact N-O 2.97Å; H102-K126 HydrophobicContact CB-CB 3.76Å
103	T	94.9	Very high	89.4	Confident	70 Å²	70	70.3 Å²	70.3	43%	0.429	36%	0.358	S	S	.	.			trans	-98	118.5	172.2	-63.9	0	0	0	0	108.9	V121 Q122	T103-V121 HydrophobicContact CG2-CB 4.47Å; T103-V121 HydrophobicContact CG2-CG1 4.38Å; T103-Q122 PolarHBondContact OG1-N 3.42Å
104	Y	92.6	Very high	91	Very high	24 Å²	24	68 Å²	68	9%	0.094	34%	0.342	C	S	.	.			trans	-92.9	134	-179.1	-61.1	-90.4	0	0	0	110.8	H102 T108 L117 Q123 L125 N133	H102-Y104 HydrophobicContact CB-CE2 4.09Å; H102-Y104 AromaticContact CD2-CD1 3.58Å; H102-Y104 AromaticContact CD2-CE1 3.41Å; H102-Y104 VanDerWaalsContact CD2-CE1 3.41Å; H102-Y104 WeakPolarHBondContact CD2-CE1 3.49Å; H102-Y104 AromaticContact CD2-CE2 3.87Å; H102-Y104 AromaticContact CD2-CG 3.87Å; H102-Y104 AromaticContact CD2-CZ 3.58Å; Y104-T108 HydrophobicContact CD1-CG2 3.69Å; Y104-T108 WeakPolarHBondContact CD1-OG1 3.4Å; Y104-T108 HydrophobicContact CE1-CG2 3.7Å; Y104-T108 HydrophobicContact CG-CG2 4.29Å; Y104-L117 HydrophobicContact CD2-CD1 4.2Å; Y104-L117 HydrophobicContact CE2-CD1 3.6Å; Y104-Q123 HydrophobicContact CD2-CB 4.27Å; Y104-Q123 PolarHBondContact O-NE2 3.05Å; Y104-L125 PolarHBondContact OH-O 2.84Å; Y104-N133 HydrophobicContact CE1-CB 4.27Å; Y104-N133 WeakPolarHBondContact CE1-OD1 3.49Å; Y104-N133 WeakPolarHBondContact OH-CB 3.18Å; Y104-N133 PolarHBondContact OH-OD1 3.39Å
105	S	89.4	Confident	92.4	Very high	133 Å²	133	58.3 Å²	58.3	93%	0.93	30%	0.301	S	S	*	.	S	Bend	trans	-82.5	-11	177.7	54	0	0	0	0	114
106	S	90.5	Very high	93.2	Very high	71 Å²	71	55.4 Å²	55.4	50%	0.497	29%	0.293	S	S	.	.	S	Bend	trans	-136.7	157.5	179.2	63.9	0	0	0	0	111.1	T108	S106-T108 PolarHBondContact O-N 3.06Å; S106-T108 PolarHBondContact O-OG1 3.26Å
107	P	92.5	Very high	93.7	Very high	111 Å²	111	49.4 Å²	49.4	72%	0.721	27%	0.271	S	S	*	.			trans	-50.3	117.1	173.3	-27	35.4	0	0	0	111	L116	P107-L116 HydrophobicContact CB-CD1 4.1Å
108	T	94.6	Very high	93.9	Very high	26 Å²	26	54.5 Å²	54.5	16%	0.16	29%	0.289	C	S	.	.			trans	-126.6	137.9	-175.5	-57.9	0	0	0	0	109.4	Y104 S106 L116 L117 N133	Y104-T108 HydrophobicContact CD1-CG2 3.69Å; Y104-T108 WeakPolarHBondContact CD1-OG1 3.4Å; Y104-T108 HydrophobicContact CE1-CG2 3.7Å; Y104-T108 HydrophobicContact CG-CG2 4.29Å; S106-T108 PolarHBondContact O-N 3.06Å; S106-T108 PolarHBondContact O-OG1 3.26Å; T108-L116 WeakPolarHBondContact O-CD1 3.25Å; T108-L117 HydrophobicContact CG2-CD1 3.96Å; T108-L117 VanDerWaalsContact O-CB 3.31Å; T108-L117 WeakPolarHBondContact O-CB 3.3Å; T108-L117 WeakPolarHBondContact O-CG 3.37Å; T108-L117 PolarHBondContact O-N 3.31Å; T108-N133 HydrophobicContact CG2-CB 4.12Å
109	F	95.7	Very high	93.8	Very high	53 Å²	53	51.1 Å²	51.1	23%	0.232	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-105.8	149.3	-176	-63.6	-98	0	0	0	110.7	F43 F45 D111 L116	F43-F109 HydrophobicContact CB-CE1 4.04Å; F43-F109 HydrophobicContact CB-CZ 4.38Å; F45-F109 HydrophobicContact CD2-CB 4.12Å; F45-F109 AromaticContact CD2-CD1 3.65Å; F45-F109 HydrophobicContact CD2-CD1 3.65Å; F45-F109 AromaticContact CD2-CD2 3.98Å; F45-F109 HydrophobicContact CD2-CD2 3.98Å; F45-F109 HydrophobicContact CD2-CE1 4.04Å; F45-F109 HydrophobicContact CD2-CE2 4.35Å; F45-F109 AromaticContact CD2-CG 3.64Å; F45-F109 HydrophobicContact CD2-CG 3.64Å; F45-F109 HydrophobicContact CD2-CZ 4.38Å; F45-F109 AromaticContact CE2-CD1 3.82Å; F45-F109 HydrophobicContact CE2-CD1 3.82Å; F45-F109 AromaticContact CE2-CD2 3.7Å; F45-F109 HydrophobicContact CE2-CD2 3.7Å; F45-F109 AromaticContact CE2-CE1 3.76Å; F45-F109 HydrophobicContact CE2-CE1 3.76Å; F45-F109 AromaticContact CE2-CE2 3.65Å; F45-F109 HydrophobicContact CE2-CE2 3.65Å; F45-F109 AromaticContact CE2-CG 3.81Å; F45-F109 HydrophobicContact CE2-CG 3.81Å; F45-F109 AromaticContact CE2-CZ 3.69Å; F45-F109 HydrophobicContact CE2-CZ 3.69Å; F45-F109 HydrophobicContact CZ-CE2 4.4Å; F109-D111 PolarHBondContact O-N 3.48Å; F109-L116 HydrophobicContact CD1-CB 4.04Å; F109-L116 HydrophobicContact CD1-CD1 4.16Å; F109-L116 HydrophobicContact CD2-CD1 4.33Å; F109-L116 HydrophobicContact CE1-CB 3.87Å; F109-L116 HydrophobicContact CE1-CD1 3.83Å; F109-L116 HydrophobicContact CE1-CG 4.45Å; F109-L116 HydrophobicContact CE2-CD1 4Å; F109-L116 HydrophobicContact CG-CD1 4.4Å; F109-L116 HydrophobicContact CZ-CD1 3.73Å
110	C	96.4	Very high	93.5	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.014	32%	0.324	C	S	.	.			trans	-68.3	123.2	173.9	177.8	0	0	0	0	109.9	H112 C113 G114 S115 L117 N133 H135	C110-H112 PolarHBondContact O-N 2.79Å; C110-H112 VanDerWaalsContact O-N 3.14Å; C110-C113 PolarHBondContact SG-N 2.89Å; C110-C113 VanDerWaalsContact SG-SG 3.61Å; C110-G114 WeakPolarHBondContact O-CA 3.07Å; C110-G114 PolarHBondContact O-N 2.88Å; C110-S115 WeakPolarHBondContact CB-O 3.48Å; C110-S115 PolarHBondContact N-O 3.11Å; C110-L117 HydrophobicContact CB-CD2 3.83Å; C110-N133 CarbonylContact C-O 3.59Å; C110-N133 WeakPolarHBondContact CA-O 3.5Å; C110-H135 WeakPolarHBondContact CB-CE1 3.41Å; C110-H135 VanDerWaalsContact CB-ND1 3.34Å; C110-H135 WeakPolarHBondContact CB-ND1 3.35Å; C110-H135 PolarHBondContact SG-ND1 2.79Å
111	D	94.7	Very high	93.3	Very high	40 Å²	40	57.4 Å²	57.4	21%	0.214	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.9	180	-82.3	-58.7	0	0	0	114.1	K50 F109 M132 N133	K50-D111 PolarHBondContact NZ-O 3Å; K50-D111 VanDerWaalsContact NZ-O 3.15Å; K50-D111 IonicContact NZ-OD1 2.72Å; K50-D111 PolarHBondContact NZ-OD1 2.87Å; F109-D111 PolarHBondContact O-N 3.48Å; D111-M132 HydrophobicContact CB-CE 3.79Å; D111-M132 HydrophobicContact CB-CG 3.73Å; D111-N133 WeakPolarHBondContact CB-O 3.43Å; D111-N133 PolarHBondContact N-O 2.93Å; D111-N133 PolarHBondContact OD2-N 3.46Å
112	H	94.4	Very high	93.1	Very high	1 Å²	1	58 Å²	58	1%	0.005	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-59.5	-176.6	-179.2	67.5	0	0	0	113.1	C66 F68 A69 C110 M132 V134 N141 V142	C66-H112 PolarHBondContact O-NE2 2.89Å; F68-H112 WeakPolarHBondContact CA-O 3.37Å; F68-H112 AromaticContact CD2-CE1 3.94Å; F68-H112 AromaticContact CD2-ND1 3.59Å; F68-H112 WeakPolarHBondContact CD2-O 3.43Å; A69-H112 PolarHBondContact N-O 3.04Å; C110-H112 PolarHBondContact O-N 2.79Å; C110-H112 VanDerWaalsContact O-N 3.14Å; H112-M132 HydrophobicContact CB-CE 4.18Å; H112-V134 HydrophobicContact CB-CG1 4.42Å; H112-N141 PolarHBondContact CE1-O 2.65Å; H112-N141 PolarHBondContact NE2-O 3.32Å; H112-V142 HydrophobicContact CB-CG2 4.05Å
113	C	95.1	Very high	93.1	Very high	4 Å²	4	55.9 Å²	55.9	3%	0.027	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.5	-179.7	77.7	0	0	0	0	113.7	C67 A69 C110 S115 H135	C67-C113 WeakPolarHBondContact O-CB 3.17Å; A69-C113 WeakPolarHBondContact CB-O 3.45Å; C110-C113 PolarHBondContact SG-N 2.89Å; C110-C113 VanDerWaalsContact SG-SG 3.61Å; C113-S115 PolarHBondContact O-N 3.02Å; C113-S115 PolarHBondContact O-OG 3.1Å; C113-H135 PolarHBondContact SG-CE1 3.05Å; C113-H135 PolarHBondContact SG-ND1 3.13Å
114	G	95.3	Very high	93.2	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.01	30%	0.302	C	S	.	.			trans	73.2	-10.4	176.9	0	0	0	0	0	115.8	T44 F45 C110	T44-G114 WeakPolarHBondContact CA-O 3.28Å; F45-G114 PolarHBondContact N-O 2.95Å; F45-G114 WeakPolarHBondContact O-CA 3.41Å; C110-G114 WeakPolarHBondContact O-CA 3.07Å; C110-G114 PolarHBondContact O-N 2.88Å
115	S	95.2	Very high	93.4	Very high	8 Å²	8	51.9 Å²	51.9	6%	0.056	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-86.5	154.7	-170.9	-64.9	0	0	0	0	112.7	Q42 C110 C113 H135	Q42-S115 PolarHBondContact NE2-OG 2.91Å; C110-S115 WeakPolarHBondContact CB-O 3.48Å; C110-S115 PolarHBondContact N-O 3.11Å; C113-S115 PolarHBondContact O-N 3.02Å; C113-S115 PolarHBondContact O-OG 3.1Å; S115-H135 PolarHBondContact O-CE1 2.84Å
116	L	95.1	Very high	93.6	Very high	40 Å²	40	49.2 Å²	49.2	21%	0.209	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-57.6	137.7	-180	-171.9	69.4	0	0	0	112.3	P107 T108 F109 Y118 H135	P107-L116 HydrophobicContact CB-CD1 4.1Å; T108-L116 WeakPolarHBondContact O-CD1 3.25Å; F109-L116 HydrophobicContact CD1-CB 4.04Å; F109-L116 HydrophobicContact CD1-CD1 4.16Å; F109-L116 HydrophobicContact CD2-CD1 4.33Å; F109-L116 HydrophobicContact CE1-CB 3.87Å; F109-L116 HydrophobicContact CE1-CD1 3.83Å; F109-L116 HydrophobicContact CE1-CG 4.45Å; F109-L116 HydrophobicContact CE2-CD1 4Å; F109-L116 HydrophobicContact CG-CD1 4.4Å; F109-L116 HydrophobicContact CZ-CD1 3.73Å; L116-Y118 HydrophobicContact CB-CD2 4.29Å; L116-Y118 HydrophobicContact CB-CE1 4.41Å; L116-Y118 HydrophobicContact CB-CE2 3.83Å; L116-Y118 HydrophobicContact CD2-CD1 3.92Å; L116-Y118 HydrophobicContact CD2-CE1 3.62Å; L116-Y118 HydrophobicContact CD2-CG 4.49Å; L116-Y118 HydrophobicContact CG-CE1 4.41Å; L116-Y118 WeakPolarHBondContact O-CD2 3.49Å; L116-Y118 WeakPolarHBondContact O-CE2 3.19Å; L116-Y118 PolarHBondContact O-N 3.08Å; L116-H135 PolarHBondContact O-NE2 2.82Å
117	L	94.7	Very high	93.7	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.047	25%	0.249	C	C	.	.			trans	-80	95	167.7	-57.7	177.2	0	0	0	108.1	Y104 T108 C110 Q123 N133 H135	Y104-L117 HydrophobicContact CD2-CD1 4.2Å; Y104-L117 HydrophobicContact CE2-CD1 3.6Å; T108-L117 HydrophobicContact CG2-CD1 3.96Å; T108-L117 VanDerWaalsContact O-CB 3.31Å; T108-L117 WeakPolarHBondContact O-CB 3.3Å; T108-L117 WeakPolarHBondContact O-CG 3.37Å; T108-L117 PolarHBondContact O-N 3.31Å; C110-L117 HydrophobicContact CB-CD2 3.83Å; L117-Q123 HydrophobicContact CB-CB 3.96Å; L117-N133 HydrophobicContact CD1-CB 4.05Å; L117-H135 HydrophobicContact CD2-CB 4.37Å; L117-H135 VanDerWaalsContact CD2-CD2 3.41Å; L117-H135 WeakPolarHBondContact CD2-CD2 3.23Å
118	Y	90.5	Very high	93.4	Very high	137 Å²	137	45.3 Å²	45.3	54%	0.537	24%	0.236	S	C	.	.			trans	-74.9	147.3	-175.5	-69.9	-86.3	0	0	0	113	Q42 L116 Q123	Q42-Y118 PolarHBondContact OE1-OH 2.76Å; L116-Y118 HydrophobicContact CB-CD2 4.29Å; L116-Y118 HydrophobicContact CB-CE1 4.41Å; L116-Y118 HydrophobicContact CB-CE2 3.83Å; L116-Y118 HydrophobicContact CD2-CD1 3.92Å; L116-Y118 HydrophobicContact CD2-CE1 3.62Å; L116-Y118 HydrophobicContact CD2-CG 4.49Å; L116-Y118 HydrophobicContact CG-CE1 4.41Å; L116-Y118 WeakPolarHBondContact O-CD2 3.49Å; L116-Y118 WeakPolarHBondContact O-CE2 3.19Å; L116-Y118 PolarHBondContact O-N 3.08Å; Y118-Q123 WeakPolarHBondContact O-CB 3.38Å
119	G	89.7	Confident	92.8	Very high	51 Å²	51	48.2 Å²	48.2	53%	0.526	25%	0.251	S	S	.	.	S	Bend	trans	126.3	170.5	172.4	0	0	0	0	0	113.1	Q123	G119-Q123 WeakPolarHBondContact O-CG 3.36Å; G119-Q123 PolarHBondContact O-NE2 3.35Å
120	L	88.1	Confident	92.2	Very high	164 Å²	164	47 Å²	47	86%	0.859	25%	0.249	S	C	*	.	S	Bend	trans	-93.6	-29.5	177	-60.8	177.7	0	0	0	112.5	Q123	L120-Q123 PolarHBondContact O-NE2 3.24Å
121	V	90.2	Very high	91.8	Very high	105 Å²	105	48 Å²	48	64%	0.636	26%	0.26	S	S	*	.	S	Bend	trans	-138.6	147.4	-179.3	-65.9	0	0	0	0	110.2	T103 Q123	T103-V121 HydrophobicContact CG2-CB 4.47Å; T103-V121 HydrophobicContact CG2-CG1 4.38Å; V121-Q123 PolarHBondContact O-N 3.2Å; V121-Q123 VanDerWaalsContact O-N 3.09Å
122	Q	91	Very high	91.7	Very high	98 Å²	98	47.6 Å²	47.6	46%	0.458	26%	0.257	S	S	.	.			trans	47.4	41.8	175.2	-61	-175	-12.5	0	0	114	L101 H102 T103 G124	L101-Q122 HydrophobicContact CD2-CB 4.41Å; H102-Q122 CarbonylContact O-C 3.54Å; H102-Q122 VanDerWaalsContact O-CA 3.3Å; H102-Q122 WeakPolarHBondContact O-CA 3.5Å; T103-Q122 PolarHBondContact OG1-N 3.42Å; Q122-G124 PolarHBondContact O-N 3.4Å; Q122-G124 VanDerWaalsContact O-N 3.14Å
123	Q	94.5	Very high	91.7	Very high	25 Å²	25	48.9 Å²	48.9	12%	0.117	26%	0.264	C	S	.	.			trans	-62.9	-22.9	-172	-59.1	93.3	-28.5	0	0	113.2	H102 Y104 L117 Y118 G119 L120 V121	H102-Q123 PolarHBondContact O-N 3.19Å; Y104-Q123 HydrophobicContact CD2-CB 4.27Å; Y104-Q123 PolarHBondContact O-NE2 3.05Å; L117-Q123 HydrophobicContact CB-CB 3.96Å; Y118-Q123 WeakPolarHBondContact O-CB 3.38Å; G119-Q123 WeakPolarHBondContact O-CG 3.36Å; G119-Q123 PolarHBondContact O-NE2 3.35Å; L120-Q123 PolarHBondContact O-NE2 3.24Å; V121-Q123 PolarHBondContact O-N 3.2Å; V121-Q123 VanDerWaalsContact O-N 3.09Å
124	G	96	Very high	91.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	-163.8	-178.2	0	0	0	0	0	112.8	H102 Q122 V134	H102-G124 PolarHBondContact N-O 2.97Å; Q122-G124 PolarHBondContact O-N 3.4Å; Q122-G124 VanDerWaalsContact O-N 3.14Å; G124-V134 CarbonylContact C-O 3.55Å; G124-V134 WeakPolarHBondContact CA-O 3.14Å
125	L	96.9	Very high	91.8	Very high	11 Å²	11	49.5 Å²	49.5	6%	0.058	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.4	179.7	-60.6	172.8	0	0	0	109.2	F99 K100 L101 Y104 N133 V134 K136 E139	F99-L125 HydrophobicContact CB-CB 4Å; F99-L125 HydrophobicContact CB-CD1 4.17Å; F99-L125 HydrophobicContact CD1-CB 3.87Å; F99-L125 HydrophobicContact CG-CB 4.15Å; F99-L125 HydrophobicContact CG-CD1 4.48Å; K100-L125 CarbonylContact O-C 3.59Å; K100-L125 VanDerWaalsContact O-CA 3.29Å; K100-L125 WeakPolarHBondContact O-CA 3.37Å; L101-L125 HydrophobicContact CD2-CD2 3.85Å; L101-L125 HydrophobicContact CG-CD2 4.09Å; Y104-L125 PolarHBondContact OH-O 2.84Å; L125-N133 CarbonylContact O-C 3.42Å; L125-N133 WeakPolarHBondContact O-CA 3.2Å; L125-V134 HydrophobicContact CB-CG2 3.93Å; L125-V134 HydrophobicContact CD1-CG2 4.38Å; L125-V134 PolarHBondContact N-O 2.84Å; L125-V134 PolarHBondContact O-N 3.15Å; L125-K136 HydrophobicContact CD2-CG 4.47Å; L125-K136 HydrophobicContact CG-CG 4.24Å; L125-E139 HydrophobicContact CD1-CB 3.81Å; L125-E139 HydrophobicContact CD1-CG 4.05Å; L125-E139 VanDerWaalsContact CD1-OE2 3.27Å; L125-E139 WeakPolarHBondContact CD1-OE2 3.47Å
126	K	95.2	Very high	91.8	Very high	77 Å²	77	54.5 Å²	54.5	34%	0.335	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.5	172.3	-172.4	171.5	-178.2	-176.6	0	109.7	K100 H102 Q128 M132 N133	K100-K126 PolarHBondContact N-O 2.82Å; K100-K126 PolarHBondContact O-N 2.87Å; H102-K126 HydrophobicContact CB-CB 3.76Å; K126-Q128 PolarHBondContact O-N 3.15Å; K126-M132 CarbonylContact C-O 3.55Å; K126-M132 WeakPolarHBondContact CA-O 3.3Å; K126-N133 WeakPolarHBondContact CG-OD1 3.37Å
127	C	92.7	Very high	91.7	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.007	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	126.4	171.7	-174.6	0	0	0	0	109	H97 K98 F99 N129 C130 G131 M132 C146	H97-C127 HydrophobicContact CB-CB 4.39Å; K98-C127 CarbonylContact O-C 3.55Å; K98-C127 WeakPolarHBondContact O-CA 3.17Å; F99-C127 HydrophobicContact CD1-CB 3.97Å; F99-C127 HydrophobicContact CE1-CB 3.76Å; F99-C127 HydrophobicContact CZ-CB 4.44Å; C127-N129 VanDerWaalsContact C-N 3.28Å; C127-N129 PolarHBondContact O-N 3.29Å; C127-C130 VanDerWaalsContact SG-SG 3.62Å; C127-G131 VanDerWaalsContact O-CA 3.24Å; C127-G131 WeakPolarHBondContact O-CA 3.42Å; C127-G131 PolarHBondContact O-N 3.41Å; C127-M132 HydrophobicContact CB-CB 4.15Å; C127-M132 PolarHBondContact N-O 3.13Å; C127-C146 VanDerWaalsContact SG-SG 3.62Å
128	Q	84.9	Confident	91.7	Very high	98 Å²	98	60.7 Å²	60.7	46%	0.458	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-29.1	179.4	-62.1	-162	-75.7	0	0	112.8	K98 K100 K126	K98-Q128 PolarHBondContact O-N 3.26Å; K100-Q128 HydrophobicContact CB-CG 4.39Å; K100-Q128 HydrophobicContact CD-CG 4.01Å; K100-Q128 HydrophobicContact CG-CG 3.98Å; K100-Q128 VanDerWaalsContact NZ-OE1 3.11Å; K126-Q128 PolarHBondContact O-N 3.15Å
129	N	82.4	Confident	91.9	Very high	88 Å²	88	58.4 Å²	58.4	47%	0.471	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-59.3	-177.8	-62.4	64	0	0	0	110.8	K98 C127 L589	K98-N129 WeakPolarHBondContact CB-OD1 3.03Å; C127-N129 VanDerWaalsContact C-N 3.28Å; C127-N129 PolarHBondContact O-N 3.29Å; N129-L589 WeakPolarHBondContact O-CD1 2.9Å; N129-L589 VanDerWaalsContact O-CG 3.25Å; N129-L589 WeakPolarHBondContact O-CG 3.44Å
130	C	83.2	Confident	91.9	Very high	27 Å²	27	61.6 Å²	61.6	18%	0.182	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-0.8	-173.1	76.1	0	0	0	0	115.5	H97 C127 M132 L589	H97-C130 PolarHBondContact CE1-SG 2.88Å; H97-C130 PolarHBondContact ND1-SG 2.71Å; C127-C130 VanDerWaalsContact SG-SG 3.62Å; C130-M132 PolarHBondContact O-N 2.75Å; C130-M132 VanDerWaalsContact O-N 3.14Å; C130-M132 WeakPolarHBondContact SG-CB 3.35Å; C130-L589 HydrophobicContact CB-CD2 4.32Å
131	G	87.7	Confident	92	Very high	24 Å²	24	55.8 Å²	55.8	25%	0.247	28%	0.28	C	S	.	.			trans	71.8	3.1	178	0	0	0	0	0	115.9	C127 N133	C127-G131 VanDerWaalsContact O-CA 3.24Å; C127-G131 WeakPolarHBondContact O-CA 3.42Å; C127-G131 PolarHBondContact O-N 3.41Å; G131-N133 PolarHBondContact O-ND2 3.01Å; G131-N133 VanDerWaalsContact O-ND2 3.08Å; G131-N133 PolarHBondContact O-OD1 2.83Å
132	M	92.1	Very high	92	Very high	30 Å²	30	51 Å²	51	15%	0.148	25%	0.251	C	S	.	.			trans	-59.2	135.8	178.5	-174.2	178.1	-175.1	0	0	111.8	F99 D111 H112 K126 C127 C130 V134 V142	F99-M132 HydrophobicContact CE1-CB 4.46Å; F99-M132 HydrophobicContact CZ-SD 4.37Å; D111-M132 HydrophobicContact CB-CE 3.79Å; D111-M132 HydrophobicContact CB-CG 3.73Å; H112-M132 HydrophobicContact CB-CE 4.18Å; K126-M132 CarbonylContact C-O 3.55Å; K126-M132 WeakPolarHBondContact CA-O 3.3Å; C127-M132 HydrophobicContact CB-CB 4.15Å; C127-M132 PolarHBondContact N-O 3.13Å; C130-M132 PolarHBondContact O-N 2.75Å; C130-M132 VanDerWaalsContact O-N 3.14Å; C130-M132 WeakPolarHBondContact SG-CB 3.35Å; M132-V134 HydrophobicContact CE-CG1 3.8Å; M132-V134 HydrophobicContact CG-CG1 4.03Å; M132-V134 HydrophobicContact SD-CG1 4.3Å; M132-V142 HydrophobicContact CE-CG1 3.68Å; M132-V142 HydrophobicContact CE-CG2 4.08Å; M132-V142 HydrophobicContact SD-CG1 3.7Å
133	N	95.2	Very high	91.9	Very high	28 Å²	28	47.1 Å²	47.1	15%	0.15	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.9	-175.9	-53.7	-70.3	0	0	0	110.2	Y104 T108 C110 D111 L117 L125 K126 G131	Y104-N133 HydrophobicContact CE1-CB 4.27Å; Y104-N133 WeakPolarHBondContact CE1-OD1 3.49Å; Y104-N133 WeakPolarHBondContact OH-CB 3.18Å; Y104-N133 PolarHBondContact OH-OD1 3.39Å; T108-N133 HydrophobicContact CG2-CB 4.12Å; C110-N133 CarbonylContact C-O 3.59Å; C110-N133 WeakPolarHBondContact CA-O 3.5Å; D111-N133 WeakPolarHBondContact CB-O 3.43Å; D111-N133 PolarHBondContact N-O 2.93Å; D111-N133 PolarHBondContact OD2-N 3.46Å; L117-N133 HydrophobicContact CD1-CB 4.05Å; L125-N133 CarbonylContact O-C 3.42Å; L125-N133 WeakPolarHBondContact O-CA 3.2Å; K126-N133 WeakPolarHBondContact CG-OD1 3.37Å; G131-N133 PolarHBondContact O-ND2 3.01Å; G131-N133 VanDerWaalsContact O-ND2 3.08Å; G131-N133 PolarHBondContact O-OD1 2.83Å
134	V	96.6	Very high	91.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157	-176.4	-57.6	0	0	0	0	112.1	F99 H112 G124 L125 M132 C138 V142	F99-V134 HydrophobicContact CD1-CG2 3.86Å; F99-V134 HydrophobicContact CE1-CB 4.43Å; F99-V134 HydrophobicContact CE1-CG1 4.15Å; F99-V134 HydrophobicContact CE1-CG2 3.48Å; F99-V134 VanDerWaalsContact CE1-CG2 3.48Å; F99-V134 HydrophobicContact CE2-CG2 4.18Å; F99-V134 HydrophobicContact CG-CG2 4.41Å; F99-V134 HydrophobicContact CZ-CG1 4.05Å; F99-V134 HydrophobicContact CZ-CG2 3.66Å; H112-V134 HydrophobicContact CB-CG1 4.42Å; G124-V134 CarbonylContact C-O 3.55Å; G124-V134 WeakPolarHBondContact CA-O 3.14Å; L125-V134 HydrophobicContact CB-CG2 3.93Å; L125-V134 HydrophobicContact CD1-CG2 4.38Å; L125-V134 PolarHBondContact N-O 2.84Å; L125-V134 PolarHBondContact O-N 3.15Å; M132-V134 HydrophobicContact CE-CG1 3.8Å; M132-V134 HydrophobicContact CG-CG1 4.03Å; M132-V134 HydrophobicContact SD-CG1 4.3Å; V134-C138 HydrophobicContact CB-CB 4.18Å; V134-V142 HydrophobicContact CB-CG2 4.4Å; V134-V142 HydrophobicContact CG1-CG2 3.74Å
135	H	96.5	Very high	90.8	Very high	18 Å²	18	51.1 Å²	51.1	8%	0.083	25%	0.254	C	S	.	.			trans	-68.2	153.7	167.1	-59.6	102.1	0	0	0	109.9	C110 C113 S115 L116 L117 R137 C138 E139	C110-H135 WeakPolarHBondContact CB-CE1 3.41Å; C110-H135 VanDerWaalsContact CB-ND1 3.34Å; C110-H135 WeakPolarHBondContact CB-ND1 3.35Å; C110-H135 PolarHBondContact SG-ND1 2.79Å; C113-H135 PolarHBondContact SG-CE1 3.05Å; C113-H135 PolarHBondContact SG-ND1 3.13Å; S115-H135 PolarHBondContact O-CE1 2.84Å; L116-H135 PolarHBondContact O-NE2 2.82Å; L117-H135 HydrophobicContact CD2-CB 4.37Å; L117-H135 VanDerWaalsContact CD2-CD2 3.41Å; L117-H135 WeakPolarHBondContact CD2-CD2 3.23Å; H135-R137 HydrophobicContact CB-CG 3.77Å; H135-R137 PolarHBondContact O-N 3.48Å; H135-C138 HydrophobicContact CB-CB 4.18Å; H135-C138 WeakPolarHBondContact O-CA 3.44Å; H135-C138 WeakPolarHBondContact O-CB 3.3Å; H135-C138 PolarHBondContact O-N 2.76Å; H135-E139 PolarHBondContact O-N 3.15Å
136	K	94.9	Very high	90.1	Very high	113 Å²	113	51.2 Å²	51.2	49%	0.491	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-51.5	-43.8	170.5	-55.3	-174.2	-166.3	-169.3	0	112	L101 L125 C138 E139	L101-K136 HydrophobicContact CD2-CD 4.11Å; L125-K136 HydrophobicContact CD2-CG 4.47Å; L125-K136 HydrophobicContact CG-CG 4.24Å; K136-C138 PolarHBondContact O-N 3.46Å; K136-E139 WeakPolarHBondContact O-CB 3.48Å; K136-E139 PolarHBondContact O-N 2.81Å
137	R	93.4	Very high	89.2	Confident	175 Å²	175	49.7 Å²	49.7	66%	0.66	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-66.5	-19.3	176.1	68.2	175.6	180	-172.4	-2.3	115.1	H135	H135-R137 HydrophobicContact CB-CG 3.77Å; H135-R137 PolarHBondContact O-N 3.48Å
138	C	94.7	Very high	88.5	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.034	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-90.6	-17.6	-178.3	-70.9	0	0	0	0	112.1	V134 H135 K136 V140 N141 V142	V134-C138 HydrophobicContact CB-CB 4.18Å; H135-C138 HydrophobicContact CB-CB 4.18Å; H135-C138 WeakPolarHBondContact O-CA 3.44Å; H135-C138 WeakPolarHBondContact O-CB 3.3Å; H135-C138 PolarHBondContact O-N 2.76Å; K136-C138 PolarHBondContact O-N 3.46Å; C138-V140 VanDerWaalsContact C-N 3.32Å; C138-V140 PolarHBondContact O-N 2.97Å; C138-N141 CarbonylContact O-C 3.59Å; C138-N141 WeakPolarHBondContact O-CA 3.49Å; C138-N141 PolarHBondContact O-N 2.92Å; C138-V142 VanDerWaalsContact O-CG2 3.27Å; C138-V142 WeakPolarHBondContact O-CG2 3.42Å; C138-V142 PolarHBondContact O-N 3.39Å
139	E	93.9	Very high	88.2	Confident	88 Å²	88	49.2 Å²	49.2	41%	0.411	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-48.6	-50.1	-176.8	-177.8	171	-155.7	0	0	113.1	F99 L125 H135 K136 N141 V142	F99-E139 HydrophobicContact CD2-CG 3.87Å; F99-E139 HydrophobicContact CE2-CG 4.43Å; L125-E139 HydrophobicContact CD1-CB 3.81Å; L125-E139 HydrophobicContact CD1-CG 4.05Å; L125-E139 VanDerWaalsContact CD1-OE2 3.27Å; L125-E139 WeakPolarHBondContact CD1-OE2 3.47Å; H135-E139 PolarHBondContact O-N 3.15Å; K136-E139 WeakPolarHBondContact O-CB 3.48Å; K136-E139 PolarHBondContact O-N 2.81Å; E139-N141 PolarHBondContact O-N 3.27Å; E139-V142 PolarHBondContact O-N 3.44Å
140	V	90	Very high	88.3	Confident	119 Å²	119	46.4 Å²	46.4	72%	0.721	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-68.7	-15	-179.4	-58.9	0	0	0	0	114.1	C138	C138-V140 VanDerWaalsContact C-N 3.32Å; C138-V140 PolarHBondContact O-N 2.97Å
141	N	91	Very high	88.6	Confident	41 Å²	41	46.5 Å²	46.5	22%	0.219	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-109.8	8.2	-174.1	-77.3	-54.8	0	0	0	112.7	C66 P83 H112 C138 E139	C66-N141 HydrophobicContact CB-CB 4.1Å; P83-N141 WeakPolarHBondContact CG-O 3.44Å; H112-N141 PolarHBondContact CE1-O 2.65Å; H112-N141 PolarHBondContact NE2-O 3.32Å; C138-N141 CarbonylContact O-C 3.59Å; C138-N141 WeakPolarHBondContact O-CA 3.49Å; C138-N141 PolarHBondContact O-N 2.92Å; E139-N141 PolarHBondContact O-N 3.27Å
142	V	90.1	Very high	88.9	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.024	24%	0.237	C	C	.	.	S	Bend	trans	-89.9	136.9	178.1	168.8	0	0	0	0	109.1	F99 H112 M132 V134 C138 E139	F99-V142 HydrophobicContact CE2-CG1 4.43Å; F99-V142 HydrophobicContact CZ-CG1 4.26Å; H112-V142 HydrophobicContact CB-CG2 4.05Å; M132-V142 HydrophobicContact CE-CG1 3.68Å; M132-V142 HydrophobicContact CE-CG2 4.08Å; M132-V142 HydrophobicContact SD-CG1 3.7Å; V134-V142 HydrophobicContact CB-CG2 4.4Å; V134-V142 HydrophobicContact CG1-CG2 3.74Å; C138-V142 VanDerWaalsContact O-CG2 3.27Å; C138-V142 WeakPolarHBondContact O-CG2 3.42Å; C138-V142 PolarHBondContact O-N 3.39Å; E139-V142 PolarHBondContact O-N 3.44Å
143	P	87.4	Confident	89.1	Confident	17 Å²	17	51.3 Å²	51.3	11%	0.11	26%	0.258	C	S	.	.			trans	-62.4	145.2	176.6	27.2	-36.8	0	0	0	112	F80 H97 L145	F80-P143 HydrophobicContact CD1-CG 4.43Å; F80-P143 HydrophobicContact CD2-CB 3.66Å; F80-P143 HydrophobicContact CD2-CG 3.81Å; F80-P143 HydrophobicContact CE1-CG 4.34Å; F80-P143 HydrophobicContact CE2-CB 4Å; F80-P143 HydrophobicContact CE2-CG 3.72Å; F80-P143 HydrophobicContact CG-CB 4.12Å; F80-P143 HydrophobicContact CG-CG 4.18Å; F80-P143 HydrophobicContact CZ-CG 4.01Å; H97-P143 PolarHBondContact CD2-O 3.32Å; H97-P143 PolarHBondContact NE2-O 2.81Å; H97-P143 VanDerWaalsContact NE2-O 3.16Å; P143-L145 HydrophobicContact CB-CD1 3.91Å; P143-L145 HydrophobicContact CB-CG 4.13Å; P143-L145 HydrophobicContact CG-CD1 4.36Å; P143-L145 PolarHBondContact O-N 3.05Å
144	H	85.7	Confident	89.1	Confident	65 Å²	65	53.3 Å²	53.3	30%	0.301	26%	0.263	S	S	.	.	S	Bend	trans	-76.8	61.4	175.7	-62.2	155.9	0	0	0	112.1	R95 R96	R95-H144 CarbonylContact O-C 3.55Å; R96-H144 HydrophobicContact CG-CB 4.43Å; R96-H144 PolarHBondContact NH1-CE1 3.1Å; R96-H144 PolarHBondContact NH1-NE2 2.95Å; R96-H144 VanDerWaalsContact NH1-NE2 3.15Å
145	L	82.3	Confident	89.2	Confident	44 Å²	44	53.4 Å²	53.4	23%	0.23	26%	0.264	C	S	.	.			trans	-123.7	38.6	-175.3	-66.3	172.7	0	0	0	111.5	F80 R95 P143 G147 V148 N150	F80-L145 HydrophobicContact CB-CD1 3.44Å; F80-L145 VanDerWaalsContact CB-CD1 3.44Å; F80-L145 HydrophobicContact CD1-CD1 4.46Å; F80-L145 HydrophobicContact CG-CD1 4.07Å; R95-L145 PolarHBondContact O-N 3.21Å; P143-L145 HydrophobicContact CB-CD1 3.91Å; P143-L145 HydrophobicContact CB-CG 4.13Å; P143-L145 HydrophobicContact CG-CD1 4.36Å; P143-L145 PolarHBondContact O-N 3.05Å; L145-G147 PolarHBondContact O-N 2.63Å; L145-V148 HydrophobicContact CB-CB 4.22Å; L145-V148 HydrophobicContact CB-CG2 4.48Å; L145-V148 HydrophobicContact CD2-CG2 4.46Å; L145-V148 WeakPolarHBondContact O-CB 3.22Å; L145-V148 PolarHBondContact O-N 2.87Å; L145-N150 WeakPolarHBondContact CB-ND2 3.49Å; L145-N150 VanDerWaalsContact CD1-ND2 3.32Å; L145-N150 WeakPolarHBondContact CD1-ND2 3.31Å
146	C	82.8	Confident	89.2	Confident	14 Å²	14	53.4 Å²	53.4	10%	0.095	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	128.7	179.5	-169.2	0	0	0	0	111.2	R95 R96 H97 C127 V148	R95-C146 HydrophobicContact CB-CB 4.45Å; R95-C146 WeakPolarHBondContact O-CB 3.3Å; R95-C146 PolarHBondContact O-N 3.18Å; R96-C146 WeakPolarHBondContact O-CB 3.4Å; H97-C146 VanDerWaalsContact CE1-CA 3.46Å; H97-C146 WeakPolarHBondContact CE1-CA 3.39Å; C127-C146 VanDerWaalsContact SG-SG 3.62Å; C146-V148 PolarHBondContact O-N 3.28Å
147	G	75.8	Confident	89.3	Confident	44 Å²	44	48 Å²	48	45%	0.454	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	-6	-178.6	0	0	0	0	0	115.1	L145	L145-G147 PolarHBondContact O-N 2.63Å
148	V	78.5	Confident	89.6	Confident	44 Å²	44	42.6 Å²	42.6	27%	0.267	22%	0.22	S	C	.	.			trans	-89.1	122.2	176.4	-174.6	0	0	0	0	109.5	R95 L145 C146 N150	R95-V148 VanDerWaalsContact NH1-CG2 3.32Å; L145-V148 HydrophobicContact CB-CB 4.22Å; L145-V148 HydrophobicContact CB-CG2 4.48Å; L145-V148 HydrophobicContact CD2-CG2 4.46Å; L145-V148 WeakPolarHBondContact O-CB 3.22Å; L145-V148 PolarHBondContact O-N 2.87Å; C146-V148 PolarHBondContact O-N 3.28Å; V148-N150 WeakPolarHBondContact CG1-ND2 3.02Å; V148-N150 WeakPolarHBondContact CG1-OD1 3.3Å; V148-N150 PolarHBondContact O-N 2.82Å; V148-N150 VanDerWaalsContact O-N 3.12Å; V148-N150 PolarHBondContact O-ND2 3.32Å
149	D	78.9	Confident	89.7	Confident	45 Å²	45	42.4 Å²	42.4	24%	0.241	22%	0.218	C	C	.	.			trans	-76.7	97.5	171.6	178.4	17.4	0	0	0	110.2	T151 K271 R593	D149-T151 PolarHBondContact OD1-N 3Å; D149-T151 PolarHBondContact OD1-OG1 2.85Å; D149-K271 PolarHBondContact O-NZ 3.07Å; D149-K271 IonicContact OD1-NZ 3.84Å; D149-K271 PolarHBondContact OD1-NZ 2.99Å; D149-K271 IonicContact OD2-NZ 4Å; D149-K271 PolarHBondContact OD2-NZ 2.94Å; D149-R593 IonicContact OD2-CZ 2.73Å; D149-R593 IonicContact OD2-NH1 2.87Å; D149-R593 PolarHBondContact OD2-NH1 3.44Å; D149-R593 IonicContact OD2-NH2 2.71Å; D149-R593 PolarHBondContact OD2-NH2 2.89Å
150	N	83.9	Confident	89.9	Confident	30 Å²	30	41.7 Å²	41.7	16%	0.16	21%	0.214	C	C	.	.			trans	-99.9	11.3	173.8	-60.6	-69.8	0	0	0	112.8	L145 V148	L145-N150 WeakPolarHBondContact CB-ND2 3.49Å; L145-N150 VanDerWaalsContact CD1-ND2 3.32Å; L145-N150 WeakPolarHBondContact CD1-ND2 3.31Å; V148-N150 WeakPolarHBondContact CG1-ND2 3.02Å; V148-N150 WeakPolarHBondContact CG1-OD1 3.3Å; V148-N150 PolarHBondContact O-N 2.82Å; V148-N150 VanDerWaalsContact O-N 3.12Å; V148-N150 PolarHBondContact O-ND2 3.32Å
151	T	89.6	Confident	90.2	Very high	28 Å²	28	36 Å²	36	17%	0.172	18%	0.18	C	C	.	.			trans	-95.5	150.3	-177.7	64.6	0	0	0	0	110.7	H48 K50 D149 K271	H48-T151 WeakPolarHBondContact O-CA 3.44Å; H48-T151 VanDerWaalsContact O-CB 3.23Å; H48-T151 WeakPolarHBondContact O-CB 3.25Å; K50-T151 HydrophobicContact CD-CG2 4.43Å; K50-T151 VanDerWaalsContact CE-CG2 3.43Å; K50-T151 HydrophobicContact CG-CG2 4.27Å; D149-T151 PolarHBondContact OD1-N 3Å; D149-T151 PolarHBondContact OD1-OG1 2.85Å; T151-K271 PolarHBondContact O-NZ 3.24Å
152	E	94.3	Very high	90.5	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	18%	0.184	C	C	.	.			trans	-133.5	90.9	172.7	-78.6	160.6	-121.9	0	0	108.6	H48 C49 R154 R156 K271	H48-E152 IonicContact CE1-OE1 3.29Å; H48-E152 IonicContact CE1-OE2 3.72Å; H48-E152 IonicContact NE2-OE2 3.37Å; H48-E152 PolarHBondContact O-N 3.37Å; H48-E152 VanDerWaalsContact O-N 3.14Å; C49-E152 VanDerWaalsContact CA-O 3.29Å; C49-E152 WeakPolarHBondContact CA-O 3.41Å; C49-E152 VanDerWaalsContact CB-O 3.24Å; C49-E152 WeakPolarHBondContact CB-O 3.39Å; E152-R154 VanDerWaalsContact C-N 3.27Å; E152-R154 PolarHBondContact O-N 3.5Å; E152-R156 IonicContact OE1-CZ 2.71Å; E152-R156 IonicContact OE1-NE 2.84Å; E152-R156 IonicContact OE1-NH2 3.71Å; E152-R156 PolarHBondContact OE1-NH2 3.24Å; E152-R156 IonicContact OE2-CZ 3.79Å; E152-R156 IonicContact OE2-NE 3.14Å; E152-R156 PolarHBondContact OE2-NE 3.13Å; E152-R156 IonicContact OE2-NH2 3.54Å; E152-R156 PolarHBondContact OE2-NH2 3.1Å; E152-K271 HydrophobicContact CG-CD 4.13Å; E152-K271 HydrophobicContact CG-CG 3.98Å
153	R	94.8	Very high	90.7	Very high	153 Å²	153	41.2 Å²	41.2	58%	0.577	20%	0.203	S	C	*	.	S	Bend	trans	-70.1	-28.7	-173.9	-62.3	177.6	-178.8	-117.9	6.5	112.4	C49	C49-R153 WeakPolarHBondContact O-CA 3.39Å
154	R	96.8	Very high	91	Very high	71 Å²	71	46.7 Å²	46.7	27%	0.268	23%	0.227	S	C	.	.	S	Bend	trans	-122.7	9.9	-170.7	-52	-175	158.4	-89.4	-1.1	114.4	E152 I179 M251 L272 L273	E152-R154 VanDerWaalsContact C-N 3.27Å; E152-R154 PolarHBondContact O-N 3.5Å; R154-I179 HydrophobicContact CB-CD1 3.62Å; R154-I179 HydrophobicContact CB-CG1 4.06Å; R154-I179 HydrophobicContact CG-CD1 3.53Å; R154-I179 HydrophobicContact CG-CG1 4.43Å; R154-M251 WeakPolarHBondContact CD-O 3.47Å; R154-M251 PolarHBondContact NH1-O 3.16Å; R154-L272 HydrophobicContact CB-CB 3.86Å; R154-L272 WeakPolarHBondContact CB-O 3.41Å; R154-L273 VanDerWaalsContact CD-C 3.48Å; R154-L273 WeakPolarHBondContact CD-O 3.36Å
155	G	96.7	Very high	91.2	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.01	24%	0.241	C	C	.	.			trans	82.6	-161.1	-171.8	0	0	0	0	0	112.6	R176 N177 L272	G155-R176 WeakPolarHBondContact CA-O 3.46Å; G155-N177 VanDerWaalsContact CA-O 3.24Å; G155-N177 WeakPolarHBondContact CA-O 3.37Å; G155-L272 PolarHBondContact O-N 3.29Å
156	R	97.3	Very high	91.7	Very high	19 Å²	19	51 Å²	51	7%	0.072	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	159.2	-173.8	61.6	175.4	75.7	-175.5	4.5	112.2	E152 G175 R176 W269 F270 C285	E152-R156 IonicContact OE1-CZ 2.71Å; E152-R156 IonicContact OE1-NE 2.84Å; E152-R156 IonicContact OE1-NH2 3.71Å; E152-R156 PolarHBondContact OE1-NH2 3.24Å; E152-R156 IonicContact OE2-CZ 3.79Å; E152-R156 IonicContact OE2-NE 3.14Å; E152-R156 PolarHBondContact OE2-NE 3.13Å; E152-R156 IonicContact OE2-NH2 3.54Å; E152-R156 PolarHBondContact OE2-NH2 3.1Å; R156-G175 CarbonylContact O-C 3.51Å; R156-G175 VanDerWaalsContact O-CA 3.31Å; R156-G175 WeakPolarHBondContact O-CA 3.47Å; R156-R176 HydrophobicContact CG-CB 3.85Å; R156-R176 PolarHBondContact N-O 3.34Å; R156-R176 PolarHBondContact O-N 3.12Å; R156-W269 HydrophobicContact CB-CE3 3.94Å; R156-W269 HydrophobicContact CB-CZ3 4.46Å; R156-W269 VanDerWaalsContact CD-CE3 3.43Å; R156-W269 HydrophobicContact CG-CD2 4.35Å; R156-W269 HydrophobicContact CG-CE3 3.5Å; R156-W269 HydrophobicContact CG-CZ3 3.73Å; R156-F270 CarbonylContact C-O 3.57Å; R156-F270 WeakPolarHBondContact CA-O 3.27Å; R156-F270 VanDerWaalsContact CB-O 3.28Å; R156-F270 WeakPolarHBondContact CB-O 3.5Å; R156-C285 VanDerWaalsContact CB-SG 3.58Å
157	I	98	Very high	92.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.8	177.4	-172.1	168.7	0	0	0	110.3	L159 V172 V191 W218 V239 L254 W269 F270 L272	I157-L159 HydrophobicContact CD1-CD2 3.9Å; I157-L159 HydrophobicContact CD1-CG 4.46Å; I157-L159 HydrophobicContact CG1-CD2 4.02Å; I157-L159 HydrophobicContact CG1-CG 4.24Å; I157-L159 HydrophobicContact CG2-CD1 4.38Å; I157-L159 HydrophobicContact CG2-CG 4.31Å; I157-V172 HydrophobicContact CD1-CG1 4.2Å; I157-V191 HydrophobicContact CD1-CG1 4.32Å; I157-V191 HydrophobicContact CD1-CG2 3.93Å; I157-W218 HydrophobicContact CD1-CZ3 4.17Å; I157-W218 HydrophobicContact CG1-CZ3 4.28Å; I157-V239 HydrophobicContact CD1-CG2 4.07Å; I157-L254 HydrophobicContact CG2-CD2 3.6Å; I157-W269 VanDerWaalsContact C-CE3 3.44Å; I157-W269 CarbonylContact O-C 3.1Å; I157-W269 WeakPolarHBondContact O-CA 3.46Å; I157-F270 HydrophobicContact CG2-CB 4.32Å; I157-F270 PolarHBondContact N-O 2.74Å; I157-F270 PolarHBondContact O-N 3.11Å; I157-L272 HydrophobicContact CB-CD2 4.27Å; I157-L272 HydrophobicContact CG2-CD2 3.8Å; I157-L272 HydrophobicContact CG2-CG 4.3Å
158	Y	97.9	Very high	93.2	Very high	61 Å²	61	53 Å²	53	24%	0.239	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.9	173.3	-168.4	-70.1	0	0	0	109.1	K173 E174 D267 W269	Y158-K173 HydrophobicContact CD1-CB 3.66Å; Y158-K173 HydrophobicContact CD1-CG 3.53Å; Y158-K173 HydrophobicContact CE1-CB 4.5Å; Y158-K173 HydrophobicContact CE1-CG 3.97Å; Y158-K173 HydrophobicContact CG-CB 4.17Å; Y158-K173 HydrophobicContact CG-CG 4.49Å; Y158-K173 PolarHBondContact O-N 3.25Å; Y158-K173 VanDerWaalsContact O-N 3.16Å; Y158-E174 PolarHBondContact N-O 3.41Å; Y158-D267 VanDerWaalsContact CE1-OD1 3.25Å; Y158-D267 WeakPolarHBondContact CE1-OD1 3.23Å; Y158-D267 PolarHBondContact OH-OD1 3.4Å; Y158-W269 AromaticContact CD2-CD1 3.76Å; Y158-W269 AromaticContact CD2-CD2 3.9Å; Y158-W269 HydrophobicContact CD2-CD2 3.9Å; Y158-W269 AromaticContact CD2-CE2 3.62Å; Y158-W269 AromaticContact CD2-CG 4Å; Y158-W269 HydrophobicContact CD2-CG 4Å; Y158-W269 HydrophobicContact CD2-CZ2 4.1Å; Y158-W269 AromaticContact CD2-NE1 3.54Å; Y158-W269 HydrophobicContact CG-CD2 4.45Å
159	L	97.8	Very high	94.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.1	178.6	-62.9	176.4	0	0	0	109.4	I157 I161 V172 F237 L254 F256 C268 F270	I157-L159 HydrophobicContact CD1-CD2 3.9Å; I157-L159 HydrophobicContact CD1-CG 4.46Å; I157-L159 HydrophobicContact CG1-CD2 4.02Å; I157-L159 HydrophobicContact CG1-CG 4.24Å; I157-L159 HydrophobicContact CG2-CD1 4.38Å; I157-L159 HydrophobicContact CG2-CG 4.31Å; L159-I161 HydrophobicContact CB-CG1 4.47Å; L159-V172 HydrophobicContact CD2-CB 4.45Å; L159-V172 HydrophobicContact CD2-CG1 4.32Å; L159-V172 HydrophobicContact CD2-CG2 4.15Å; L159-F237 HydrophobicContact CD1-CB 4.46Å; L159-F237 HydrophobicContact CD1-CD1 3.81Å; L159-F237 HydrophobicContact CD1-CD2 4.08Å; L159-F237 HydrophobicContact CD1-CE1 4.01Å; L159-F237 HydrophobicContact CD1-CE2 4.3Å; L159-F237 HydrophobicContact CD1-CG 3.85Å; L159-F237 HydrophobicContact CD1-CZ 4.26Å; L159-F237 HydrophobicContact CD2-CD1 3.89Å; L159-F237 HydrophobicContact CD2-CE1 3.91Å; L159-L254 HydrophobicContact CD1-CD1 4.08Å; L159-L254 HydrophobicContact CD1-CD2 4.49Å; L159-F256 HydrophobicContact CD1-CE2 3.93Å; L159-F256 HydrophobicContact CD1-CZ 4.31Å; L159-C268 PolarHBondContact N-O 2.85Å; L159-C268 VanDerWaalsContact N-O 3.13Å; L159-C268 PolarHBondContact O-N 3.23Å; L159-C268 VanDerWaalsContact O-N 3.17Å; L159-F270 HydrophobicContact CB-CD2 4.46Å
160	K	97.5	Very high	94.9	Very high	73 Å²	73	50 Å²	50	32%	0.317	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.8	166.4	175.3	175.7	-169.6	139.3	0	109	E171 I266 D267	K160-E171 HydrophobicContact CB-CB 4.13Å; K160-E171 PolarHBondContact N-O 3.25Å; K160-E171 PolarHBondContact O-N 2.94Å; K160-I266 CarbonylContact C-O 3.45Å; K160-I266 WeakPolarHBondContact CA-O 3.36Å; K160-D267 WeakPolarHBondContact CD-OD2 3.21Å; K160-D267 WeakPolarHBondContact CE-OD2 3.31Å; K160-D267 HydrophobicContact CG-CB 4.3Å; K160-D267 IonicContact NZ-OD2 2.66Å; K160-D267 PolarHBondContact NZ-OD2 2.88Å
161	I	97	Very high	95.6	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.4	-176	-47.3	170.5	0	0	0	109.2	L159 F168 V169 V170 F237 F256 L261 P265 I266	L159-I161 HydrophobicContact CB-CG1 4.47Å; I161-F168 HydrophobicContact CG2-CD1 4.28Å; I161-V169 VanDerWaalsContact CA-O 3.32Å; I161-V169 WeakPolarHBondContact CA-O 3.32Å; I161-V170 HydrophobicContact CG1-CG1 4.34Å; I161-V170 HydrophobicContact CG1-CG2 4.46Å; I161-V170 HydrophobicContact CG2-CG2 3.92Å; I161-F237 HydrophobicContact CD1-CE2 3.86Å; I161-F237 HydrophobicContact CD1-CZ 3.58Å; I161-F237 HydrophobicContact CG1-CZ 4.43Å; I161-F256 HydrophobicContact CD1-CD2 4.14Å; I161-F256 HydrophobicContact CD1-CE2 3.93Å; I161-F256 HydrophobicContact CD1-CZ 4.5Å; I161-L261 HydrophobicContact CB-CD1 3.97Å; I161-L261 HydrophobicContact CD1-CD1 4.08Å; I161-L261 HydrophobicContact CD1-CD2 4.42Å; I161-L261 HydrophobicContact CG2-CD1 3.81Å; I161-L261 HydrophobicContact CG2-CD2 3.83Å; I161-L261 HydrophobicContact CG2-CG 4.03Å; I161-P265 CarbonylContact O-C 3.29Å; I161-P265 VanDerWaalsContact O-CA 3.27Å; I161-P265 WeakPolarHBondContact O-CA 3.22Å; I161-P265 WeakPolarHBondContact O-CB 3.35Å; I161-I266 HydrophobicContact CB-CB 4.17Å; I161-I266 HydrophobicContact CG1-CB 4.41Å; I161-I266 PolarHBondContact N-O 3.13Å; I161-I266 PolarHBondContact O-N 2.88Å
162	S	96.4	Very high	96	Very high	46 Å²	46	49 Å²	49	32%	0.322	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157.3	172.6	62.1	0	0	0	0	110.7	F168 V169	S162-F168 WeakPolarHBondContact O-CA 3.42Å; S162-V169 PolarHBondContact N-O 3.25Å; S162-V169 PolarHBondContact O-N 3.18Å
163	W	94.1	Very high	96.2	Very high	108 Å²	108	51.4 Å²	51.4	41%	0.409	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.9	178.5	178.5	77.4	0	0	0	110.1	R167 F168 I262	W163-R167 WeakPolarHBondContact CA-O 3.5Å; W163-F168 HydrophobicContact CB-CD1 3.78Å; W163-F168 HydrophobicContact CB-CE1 3.73Å; W163-F168 AromaticContact CD1-CD1 3.72Å; W163-F168 AromaticContact CD1-CE1 3.57Å; W163-F168 HydrophobicContact CG-CD1 4.13Å; W163-F168 AromaticContact CG-CE1 3.91Å; W163-F168 HydrophobicContact CG-CE1 3.91Å; W163-I262 HydrophobicContact CD2-CB 4.36Å; W163-I262 HydrophobicContact CD2-CG1 4.13Å; W163-I262 HydrophobicContact CD2-CG2 3.95Å; W163-I262 HydrophobicContact CE3-CG2 3.84Å; W163-I262 HydrophobicContact CG-CG1 4.12Å; W163-I262 HydrophobicContact CH2-CG2 4.01Å; W163-I262 HydrophobicContact CZ2-CG2 4.12Å; W163-I262 HydrophobicContact CZ3-CG2 3.87Å
164	Q	93.7	Very high	96.4	Very high	131 Å²	131	46 Å²	46	61%	0.612	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-157.4	141.6	175.7	-168.8	-179.6	-0.1	0	0	109.8	N166 R167	Q164-N166 VanDerWaalsContact C-N 3.34Å; Q164-N166 PolarHBondContact O-N 3.27Å; Q164-R167 PolarHBondContact N-O 2.79Å; Q164-R167 WeakPolarHBondContact O-CB 3.26Å; Q164-R167 PolarHBondContact O-N 2.96Å
165	D	91.5	Very high	96.4	Very high	111 Å²	111	42.6 Å²	42.6	59%	0.594	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	48.9	174.7	-52.4	-34	0	0	0	113.6	R167	D165-R167 WeakPolarHBondContact O-CG 3.5Å; D165-R167 PolarHBondContact O-N 3.16Å; D165-R167 IonicContact OD2-NH2 3.05Å
166	N	92.5	Very high	96.5	Very high	88 Å²	88	47 Å²	47	47%	0.471	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	25.7	-177.9	-162.6	44.8	0	0	0	115	Q164 L226	Q164-N166 VanDerWaalsContact C-N 3.34Å; Q164-N166 PolarHBondContact O-N 3.27Å; N166-L226 PolarHBondContact ND2-O 3.03Å; N166-L226 PolarHBondContact O-N 3.44Å
167	R	94	Very high	96.4	Very high	102 Å²	102	46.2 Å²	46.2	39%	0.385	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.6	-178	-64.7	177	-70.1	-176.8	-2.5	111.3	W163 Q164 D165 T223 I224 D225	W163-R167 WeakPolarHBondContact CA-O 3.5Å; Q164-R167 PolarHBondContact N-O 2.79Å; Q164-R167 WeakPolarHBondContact O-CB 3.26Å; Q164-R167 PolarHBondContact O-N 2.96Å; D165-R167 WeakPolarHBondContact O-CG 3.5Å; D165-R167 PolarHBondContact O-N 3.16Å; D165-R167 IonicContact OD2-NH2 3.05Å; R167-T223 HydrophobicContact CB-CG2 4.25Å; R167-I224 CarbonylContact C-O 3.48Å; R167-I224 WeakPolarHBondContact CA-O 3.11Å; R167-D225 WeakPolarHBondContact CD-OD1 3.19Å; R167-D225 WeakPolarHBondContact CG-OD1 3.24Å
168	F	95.5	Very high	96.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.2	164.5	-70	-54.9	0	0	0	110.4	I161 S162 W163 V170 T223 I224 L226 L235 V258 L261 I262	I161-F168 HydrophobicContact CG2-CD1 4.28Å; S162-F168 WeakPolarHBondContact O-CA 3.42Å; W163-F168 HydrophobicContact CB-CD1 3.78Å; W163-F168 HydrophobicContact CB-CE1 3.73Å; W163-F168 AromaticContact CD1-CD1 3.72Å; W163-F168 AromaticContact CD1-CE1 3.57Å; W163-F168 HydrophobicContact CG-CD1 4.13Å; W163-F168 AromaticContact CG-CE1 3.91Å; W163-F168 HydrophobicContact CG-CE1 3.91Å; F168-V170 HydrophobicContact CB-CG2 4.06Å; F168-T223 WeakPolarHBondContact O-CA 3.34Å; F168-I224 HydrophobicContact CB-CB 4.47Å; F168-I224 PolarHBondContact N-O 2.85Å; F168-I224 PolarHBondContact O-N 3.43Å; F168-L226 HydrophobicContact CD2-CD1 4.01Å; F168-L226 HydrophobicContact CD2-CD2 3.63Å; F168-L226 HydrophobicContact CD2-CG 3.96Å; F168-L226 HydrophobicContact CE1-CD1 4.48Å; F168-L226 HydrophobicContact CE2-CD1 3.62Å; F168-L226 HydrophobicContact CE2-CD2 3.36Å; F168-L226 HydrophobicContact CE2-CG 3.88Å; F168-L226 HydrophobicContact CZ-CD1 3.87Å; F168-L226 HydrophobicContact CZ-CD2 4.35Å; F168-L235 HydrophobicContact CD2-CD2 4.39Å; F168-V258 HydrophobicContact CE2-CG1 4.05Å; F168-V258 HydrophobicContact CE2-CG2 4.3Å; F168-V258 HydrophobicContact CZ-CG1 4.11Å; F168-L261 HydrophobicContact CD1-CD2 3.88Å; F168-L261 HydrophobicContact CD1-CG 4.06Å; F168-L261 HydrophobicContact CD2-CD2 4.23Å; F168-L261 HydrophobicContact CE1-CB 3.93Å; F168-L261 HydrophobicContact CE1-CD2 3.57Å; F168-L261 HydrophobicContact CE1-CG 3.49Å; F168-L261 VanDerWaalsContact CE1-CG 3.49Å; F168-L261 HydrophobicContact CE2-CD2 3.91Å; F168-L261 HydrophobicContact CG-CD2 4.22Å; F168-L261 HydrophobicContact CZ-CB 3.88Å; F168-L261 HydrophobicContact CZ-CD2 3.59Å; F168-L261 HydrophobicContact CZ-CG 3.82Å; F168-I262 HydrophobicContact CE1-CG1 4.12Å; F168-I262 HydrophobicContact CZ-CG1 3.88Å
169	V	96.8	Very high	96.3	Very high	26 Å²	26	44.4 Å²	44.4	16%	0.158	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	108.7	164.7	174.1	0	0	0	0	107.2	I161 S162 K221	I161-V169 VanDerWaalsContact CA-O 3.32Å; I161-V169 WeakPolarHBondContact CA-O 3.32Å; S162-V169 PolarHBondContact N-O 3.25Å; S162-V169 PolarHBondContact O-N 3.18Å; V169-K221 HydrophobicContact CG1-CD 4.09Å; V169-K221 VanDerWaalsContact CG1-CE 3.42Å; V169-K221 HydrophobicContact CG1-CG 4.23Å
170	V	97.5	Very high	96.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.1	-176	178.4	0	0	0	0	109.2	I161 F168 V172 I193 K221 F222 I224 L235 F237	I161-V170 HydrophobicContact CG1-CG1 4.34Å; I161-V170 HydrophobicContact CG1-CG2 4.46Å; I161-V170 HydrophobicContact CG2-CG2 3.92Å; F168-V170 HydrophobicContact CB-CG2 4.06Å; V170-V172 HydrophobicContact CG1-CG2 4.24Å; V170-I193 HydrophobicContact CG1-CD1 3.92Å; V170-K221 CarbonylContact O-C 3.23Å; V170-K221 WeakPolarHBondContact O-CA 3.43Å; V170-F222 HydrophobicContact CB-CB 4.4Å; V170-F222 PolarHBondContact N-O 2.97Å; V170-F222 PolarHBondContact O-N 3.29Å; V170-I224 HydrophobicContact CG2-CD1 4.02Å; V170-L235 HydrophobicContact CG2-CD2 4.23Å; V170-F237 HydrophobicContact CG1-CE1 3.51Å; V170-F237 HydrophobicContact CG1-CZ 3.67Å
171	E	98.2	Very high	96	Very high	37 Å²	37	45.5 Å²	45.5	17%	0.173	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	111	173.4	-61.5	-179.5	-128.3	0	0	109.5	K160 K173 E220 K221	K160-E171 HydrophobicContact CB-CB 4.13Å; K160-E171 PolarHBondContact N-O 3.25Å; K160-E171 PolarHBondContact O-N 2.94Å; E171-K173 HydrophobicContact CB-CD 4.45Å; E171-K173 PolarHBondContact O-N 3.24Å; E171-K173 WeakPolarHBondContact OE2-CE 3.48Å; E171-K173 IonicContact OE2-NZ 3.27Å; E171-K173 PolarHBondContact OE2-NZ 3.3Å; E171-E220 CarbonylContact C-O 3.6Å; E171-E220 WeakPolarHBondContact CA-O 2.98Å; E171-K221 HydrophobicContact CG-CB 4.12Å; E171-K221 HydrophobicContact CG-CD 4.18Å; E171-K221 HydrophobicContact CG-CG 4.04Å
172	V	98.4	Very high	95.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	100.1	173.2	-176.4	0	0	0	0	107.7	I157 L159 V170 V191 I193 T207 W218 D219 E220 F222 F237	I157-V172 HydrophobicContact CD1-CG1 4.2Å; L159-V172 HydrophobicContact CD2-CB 4.45Å; L159-V172 HydrophobicContact CD2-CG1 4.32Å; L159-V172 HydrophobicContact CD2-CG2 4.15Å; V170-V172 HydrophobicContact CG1-CG2 4.24Å; V172-V191 HydrophobicContact CG1-CB 4.2Å; V172-V191 HydrophobicContact CG1-CG1 4.43Å; V172-V191 HydrophobicContact CG1-CG2 3.79Å; V172-I193 HydrophobicContact CG2-CD1 3.98Å; V172-T207 HydrophobicContact CB-CG2 3.97Å; V172-T207 HydrophobicContact CG1-CG2 3.93Å; V172-T207 HydrophobicContact CG2-CG2 4.25Å; V172-W218 HydrophobicContact CG1-CB 4.45Å; V172-W218 HydrophobicContact CG1-CD2 4.26Å; V172-W218 HydrophobicContact CG1-CE3 3.83Å; V172-W218 HydrophobicContact CG1-CZ3 4.41Å; V172-D219 WeakPolarHBondContact O-CA 3.45Å; V172-D219 PolarHBondContact O-N 3.48Å; V172-D219 VanDerWaalsContact O-N 3.11Å; V172-E220 PolarHBondContact N-O 2.91Å; V172-E220 PolarHBondContact O-N 2.98Å; V172-E220 VanDerWaalsContact O-N 3.09Å; V172-F222 HydrophobicContact CG2-CD2 4.26Å; V172-F222 HydrophobicContact CG2-CE2 4.01Å; V172-F237 HydrophobicContact CG2-CE1 4.43Å
173	K	98.2	Very high	95.5	Very high	51 Å²	51	50.9 Å²	50.9	22%	0.222	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-77.7	-171.6	-65.3	-62.9	-174.8	-176.4	0	112	Y158 E171 W218 D219	Y158-K173 HydrophobicContact CD1-CB 3.66Å; Y158-K173 HydrophobicContact CD1-CG 3.53Å; Y158-K173 HydrophobicContact CE1-CB 4.5Å; Y158-K173 HydrophobicContact CE1-CG 3.97Å; Y158-K173 HydrophobicContact CG-CB 4.17Å; Y158-K173 HydrophobicContact CG-CG 4.49Å; Y158-K173 PolarHBondContact O-N 3.25Å; Y158-K173 VanDerWaalsContact O-N 3.16Å; E171-K173 HydrophobicContact CB-CD 4.45Å; E171-K173 PolarHBondContact O-N 3.24Å; E171-K173 WeakPolarHBondContact OE2-CE 3.48Å; E171-K173 IonicContact OE2-NZ 3.27Å; E171-K173 PolarHBondContact OE2-NZ 3.3Å; K173-W218 PolarHBondContact O-N 2.86Å; K173-D219 VanDerWaalsContact CD-OD1 3.3Å; K173-D219 WeakPolarHBondContact CD-OD1 3.28Å; K173-D219 IonicContact NZ-OD1 2.59Å; K173-D219 PolarHBondContact NZ-OD1 3.23Å; K173-D219 PolarHBondContact O-N 3.26Å
174	E	98.3	Very high	95.3	Very high	40 Å²	40	50 Å²	50	19%	0.187	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	154.7	-175.2	49.3	165.6	-162.3	0	0	112.2	Y158 R176 P216 V217 W269	Y158-E174 PolarHBondContact N-O 3.41Å; E174-R176 IonicContact OE1-CZ 2.69Å; E174-R176 VanDerWaalsContact OE1-CZ 3.29Å; E174-R176 IonicContact OE1-NE 3.74Å; E174-R176 PolarHBondContact OE1-NE 3.39Å; E174-R176 VanDerWaalsContact OE1-NE 3.14Å; E174-R176 IonicContact OE1-NH2 3.76Å; E174-R176 PolarHBondContact OE1-NH2 3.05Å; E174-R176 IonicContact OE2-NE 2.85Å; E174-R176 IonicContact OE2-NH2 3.66Å; E174-P216 CarbonylContact C-O 3.53Å; E174-P216 WeakPolarHBondContact CA-O 3.48Å; E174-P216 WeakPolarHBondContact CB-O 3.46Å; E174-V217 HydrophobicContact CB-CB 4.4Å; E174-V217 HydrophobicContact CB-CG2 4.11Å; E174-W269 HydrophobicContact CG-CH2 3.69Å; E174-W269 HydrophobicContact CG-CZ2 4.17Å; E174-W269 WeakPolarHBondContact O-CZ3 3.41Å; E174-W269 WeakPolarHBondContact OE1-CH2 2.98Å; E174-W269 VanDerWaalsContact OE1-CZ2 3.26Å; E174-W269 WeakPolarHBondContact OE1-CZ2 3.09Å
175	G	98.1	Very high	95.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	150.8	170.4	0	0	0	0	0	109.7	R156 N215 P216	R156-G175 CarbonylContact O-C 3.51Å; R156-G175 VanDerWaalsContact O-CA 3.31Å; R156-G175 WeakPolarHBondContact O-CA 3.47Å; G175-N215 CarbonylContact O-C 3.59Å; G175-N215 VanDerWaalsContact O-C 3.29Å; G175-N215 WeakPolarHBondContact O-CA 3.39Å; G175-P216 PolarHBondContact N-O 3.16Å; G175-P216 WeakPolarHBondContact O-CD 3.18Å
176	R	97.4	Very high	95.4	Very high	93 Å²	93	42.6 Å²	42.6	35%	0.351	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.3	176.1	-78.5	-176.4	-166.8	-166.3	6.9	111.7	Y77 G155 R156 E174 L178 N215 W269	Y77-R176 HydrophobicContact CE1-CB 3.95Å; Y77-R176 WeakPolarHBondContact OH-CB 3.39Å; G155-R176 WeakPolarHBondContact CA-O 3.46Å; R156-R176 HydrophobicContact CG-CB 3.85Å; R156-R176 PolarHBondContact N-O 3.34Å; R156-R176 PolarHBondContact O-N 3.12Å; E174-R176 IonicContact OE1-CZ 2.69Å; E174-R176 VanDerWaalsContact OE1-CZ 3.29Å; E174-R176 IonicContact OE1-NE 3.74Å; E174-R176 PolarHBondContact OE1-NE 3.39Å; E174-R176 VanDerWaalsContact OE1-NE 3.14Å; E174-R176 IonicContact OE1-NH2 3.76Å; E174-R176 PolarHBondContact OE1-NH2 3.05Å; E174-R176 IonicContact OE2-NE 2.85Å; E174-R176 IonicContact OE2-NH2 3.66Å; R176-L178 PolarHBondContact O-N 3.33Å; R176-N215 WeakPolarHBondContact CA-OD1 3.44Å; R176-N215 HydrophobicContact CG-CB 4.45Å; R176-W269 HydrophobicContact CB-CH2 4.01Å; R176-W269 HydrophobicContact CB-CZ3 4.05Å; R176-W269 VanDerWaalsContact CD-CH2 3.44Å; R176-W269 HydrophobicContact CG-CH2 3.54Å; R176-W269 HydrophobicContact CG-CZ2 4.29Å; R176-W269 HydrophobicContact CG-CZ3 4.1Å
177	N	96.4	Very high	95.5	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	20%	0.2	C	C	.	.	S	Bend	trans	52.2	35.7	179.2	-165.7	33	0	0	0	113.4	H48 R73 C74 Y77 G155 L214 N215	H48-N177 PolarHBondContact NE2-ND2 2.56Å; R73-N177 WeakPolarHBondContact CG-OD1 3.16Å; R73-N177 PolarHBondContact NH1-O 3.21Å; R73-N177 PolarHBondContact NH1-OD1 3.4Å; C74-N177 PolarHBondContact SG-ND2 3.3Å; C74-N177 VanDerWaalsContact SG-ND2 3.45Å; Y77-N177 HydrophobicContact CD2-CB 3.8Å; Y77-N177 HydrophobicContact CE2-CB 3.54Å; Y77-N177 HydrophobicContact CG-CB 4.41Å; G155-N177 VanDerWaalsContact CA-O 3.24Å; G155-N177 WeakPolarHBondContact CA-O 3.37Å; N177-L214 PolarHBondContact N-O 3.04Å; N177-N215 PolarHBondContact N-OD1 2.95Å
178	L	97.8	Very high	95.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-60.9	156.9	178.8	-58.5	-175.2	0	0	0	111.4	R73 R176 P189 L214 P216 W218 V239 M251 L272	R73-L178 PolarHBondContact NH1-O 2.91Å; R176-L178 PolarHBondContact O-N 3.33Å; L178-P189 HydrophobicContact CD1-CB 3.66Å; L178-P189 HydrophobicContact CD1-CG 3.88Å; L178-L214 HydrophobicContact CB-CB 4.46Å; L178-L214 HydrophobicContact CB-CD2 4.38Å; L178-L214 WeakPolarHBondContact CG-O 3.23Å; L178-L214 PolarHBondContact N-O 3.25Å; L178-P216 HydrophobicContact CD1-CG 3.58Å; L178-W218 HydrophobicContact CD1-CH2 4.33Å; L178-V239 HydrophobicContact CD1-CG1 4.29Å; L178-M251 HydrophobicContact CB-CE 3.75Å; L178-M251 HydrophobicContact CD1-CE 4.24Å; L178-L272 HydrophobicContact CD2-CD1 3.33Å
179	I	95.2	Very high	95.9	Very high	23 Å²	23	34.4 Å²	34.4	12%	0.118	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-68.7	133.8	-179	-51.3	174	0	0	0	110.1	R154 M181 M251	R154-I179 HydrophobicContact CB-CD1 3.62Å; R154-I179 HydrophobicContact CB-CG1 4.06Å; R154-I179 HydrophobicContact CG-CD1 3.53Å; R154-I179 HydrophobicContact CG-CG1 4.43Å; I179-M181 HydrophobicContact CB-SD 4.06Å; I179-M181 HydrophobicContact CG2-SD 3.82Å; I179-M181 PolarHBondContact O-N 3.21Å; I179-M251 WeakPolarHBondContact O-CE 3.37Å
180	P	94.6	Very high	96	Very high	37 Å²	37	33.5 Å²	33.5	24%	0.24	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-65	120	165.4	-14.2	26.6	0	0	0	110.2	R73 L186 L214	R73-P180 VanDerWaalsContact CZ-CD 3.42Å; P180-L186 CarbonylContact C-O 3.1Å; P180-L186 VanDerWaalsContact CA-O 3.28Å; P180-L186 WeakPolarHBondContact CA-O 3.49Å; P180-L214 HydrophobicContact CB-CD1 4.43Å; P180-L214 HydrophobicContact CG-CD1 3.82Å
181	M	94.5	Very high	96	Very high	58 Å²	58	33.5 Å²	33.5	29%	0.286	18%	0.18	S	C	.	.			trans	-110	-26.5	178.2	-60.6	-54.5	-76.2	0	0	110.8	I179 L186 D241 D249 M251	I179-M181 HydrophobicContact CB-SD 4.06Å; I179-M181 HydrophobicContact CG2-SD 3.82Å; I179-M181 PolarHBondContact O-N 3.21Å; M181-L186 PolarHBondContact N-O 3.27Å; M181-D241 HydrophobicContact CB-CB 3.9Å; M181-D241 WeakPolarHBondContact CB-OD2 3.46Å; M181-D241 HydrophobicContact CG-CB 3.95Å; M181-D249 HydrophobicContact CE-CB 3.59Å; M181-M251 HydrophobicContact CG-CE 4.11Å; M181-M251 HydrophobicContact CG-CG 3.97Å
182	D	93.4	Very high	95.9	Very high	27 Å²	27	34.9 Å²	34.9	14%	0.144	19%	0.185	C	C	.	.	S	Bend	trans	-83.5	153	179.5	-75.7	-44.7	0	0	0	113.9	N184 G185 L186 A187	D182-N184 WeakPolarHBondContact CB-OD1 3.37Å; D182-N184 PolarHBondContact O-N 2.89Å; D182-N184 VanDerWaalsContact O-N 3.09Å; D182-G185 PolarHBondContact O-N 2.98Å; D182-L186 WeakPolarHBondContact CB-O 3.28Å; D182-L186 PolarHBondContact N-O 3.37Å; D182-A187 WeakPolarHBondContact OD2-CA 3.36Å
183	P	90.1	Very high	95.8	Very high	133 Å²	133	34.9 Å²	34.9	86%	0.864	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.2	171.2	-25.2	34.4	0	0	0	115	G185	P183-G185 PolarHBondContact O-N 3.43Å
184	N	89.5	Confident	95.5	Very high	91 Å²	91	34.4 Å²	34.4	49%	0.487	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-5.5	177.1	65.8	18.1	0	0	0	113	D182 L186	D182-N184 WeakPolarHBondContact CB-OD1 3.37Å; D182-N184 PolarHBondContact O-N 2.89Å; D182-N184 VanDerWaalsContact O-N 3.09Å; N184-L186 WeakPolarHBondContact OD1-CA 3.44Å; N184-L186 WeakPolarHBondContact OD1-CB 3.4Å; N184-L186 PolarHBondContact OD1-N 3.08Å
185	G	90.8	Very high	95	Very high	23 Å²	23	32.6 Å²	32.6	24%	0.237	18%	0.175	C	C	.	.	S	Bend	trans	80.2	19.6	-175.8	0	0	0	0	0	114.4	D182 P183	D182-G185 PolarHBondContact O-N 2.98Å; P183-G185 PolarHBondContact O-N 3.43Å
186	L	95.2	Very high	93.9	Very high	63 Å²	63	33 Å²	33	33%	0.33	18%	0.178	S	C	.	.			trans	-126.3	-160.7	177.3	-56.1	166.2	0	0	0	109.5	P180 M181 D182 N184 S212 L214	P180-L186 CarbonylContact C-O 3.1Å; P180-L186 VanDerWaalsContact CA-O 3.28Å; P180-L186 WeakPolarHBondContact CA-O 3.49Å; M181-L186 PolarHBondContact N-O 3.27Å; D182-L186 WeakPolarHBondContact CB-O 3.28Å; D182-L186 PolarHBondContact N-O 3.37Å; N184-L186 WeakPolarHBondContact OD1-CA 3.44Å; N184-L186 WeakPolarHBondContact OD1-CB 3.4Å; N184-L186 PolarHBondContact OD1-N 3.08Å; L186-S212 WeakPolarHBondContact CD1-O 3.45Å; L186-L214 HydrophobicContact CD2-CD1 4.38Å; L186-L214 HydrophobicContact CD2-CG 4.13Å
187	A	96.6	Very high	92.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.191	C	C	.	.			trans	-157	162	174.9	0	0	0	0	0	108.5	D182 P189 S212 N213 L214 D241 M251	D182-A187 WeakPolarHBondContact OD2-CA 3.36Å; A187-P189 WeakPolarHBondContact O-CD 3.39Å; A187-S212 CarbonylContact O-C 3.1Å; A187-S212 WeakPolarHBondContact O-CA 3.42Å; A187-S212 PolarHBondContact O-N 3.5Å; A187-S212 VanDerWaalsContact O-N 3.1Å; A187-N213 PolarHBondContact O-N 3.4Å; A187-L214 HydrophobicContact CB-CD2 3.77Å; A187-D241 WeakPolarHBondContact CA-OD1 3.43Å; A187-D241 WeakPolarHBondContact CB-OD1 3.27Å; A187-M251 HydrophobicContact CB-CE 3.41Å; A187-M251 VanDerWaalsContact CB-CE 3.41Å; A187-M251 HydrophobicContact CB-SD 4.3Å
188	D	98	Very high	90.9	Very high	18 Å²	18	37.1 Å²	37.1	10%	0.096	22%	0.216	C	C	.	.			trans	-106.5	67.9	170.8	-72.8	-15	0	0	0	111.1	T209 I210 K211 S212 D241 W242	D188-T209 HydrophobicContact CB-CG2 3.96Å; D188-T209 VanDerWaalsContact O-CG2 3.3Å; D188-T209 WeakPolarHBondContact O-CG2 3.35Å; D188-I210 CarbonylContact C-O 3.56Å; D188-I210 WeakPolarHBondContact CA-O 3.49Å; D188-K211 HydrophobicContact CB-CD 4.06Å; D188-K211 WeakPolarHBondContact OD1-CA 3.44Å; D188-K211 WeakPolarHBondContact OD1-CD 3.13Å; D188-K211 WeakPolarHBondContact OD2-CD 3.41Å; D188-K211 IonicContact OD2-NZ 3.12Å; D188-K211 PolarHBondContact OD2-NZ 3.13Å; D188-S212 PolarHBondContact OD1-N 2.85Å; D188-D241 WeakPolarHBondContact CA-OD1 3.4Å; D188-D241 PolarHBondContact N-OD1 2.94Å; D188-W242 HydrophobicContact CB-CB 4.22Å; D188-W242 PolarHBondContact O-N 3.06Å
189	P	98.4	Very high	89.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	144.6	-167.1	32.6	-42.5	0	0	0	114.6	L178 A187 I210 N213 P216 W218 V239 W240 M251	L178-P189 HydrophobicContact CD1-CB 3.66Å; L178-P189 HydrophobicContact CD1-CG 3.88Å; A187-P189 WeakPolarHBondContact O-CD 3.39Å; P189-I210 WeakPolarHBondContact CD-O 3.5Å; P189-I210 PolarHBondContact O-N 2.73Å; P189-N213 VanDerWaalsContact CD-O 3.25Å; P189-N213 WeakPolarHBondContact CD-O 3.07Å; P189-N213 VanDerWaalsContact CG-O 3.26Å; P189-N213 WeakPolarHBondContact CG-O 3.39Å; P189-P216 HydrophobicContact CB-CG 4.23Å; P189-P216 HydrophobicContact CG-CB 3.78Å; P189-P216 HydrophobicContact CG-CG 3.56Å; P189-W218 HydrophobicContact CB-CZ2 3.96Å; P189-W218 HydrophobicContact CG-CZ2 4.31Å; P189-W218 PolarHBondContact O-NE1 2.95Å; P189-V239 HydrophobicContact CB-CG1 4.27Å; P189-W240 CarbonylContact C-O 3.59Å; P189-W240 VanDerWaalsContact CA-O 3.28Å; P189-W240 WeakPolarHBondContact CA-O 3.43Å; P189-M251 HydrophobicContact CB-CE 4.42Å; P189-M251 HydrophobicContact CB-SD 3.84Å
190	Y	98.5	Very high	87.7	Confident	7 Å²	7	44.2 Å²	44.2	3%	0.027	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	161.9	166.2	72.4	-83.5	0	0	0	110.8	K192 V239 W240 W242 D248	Y190-K192 HydrophobicContact CD2-CG 4.26Å; Y190-K192 HydrophobicContact CE2-CD 4.15Å; Y190-K192 HydrophobicContact CE2-CG 3.64Å; Y190-K192 WeakPolarHBondContact OH-CE 3.3Å; Y190-K192 PolarHBondContact OH-NZ 2.79Å; Y190-V239 WeakPolarHBondContact O-CA 3.44Å; Y190-W240 HydrophobicContact CD1-CB 4.01Å; Y190-W240 WeakPolarHBondContact CD1-O 3.27Å; Y190-W240 HydrophobicContact CE1-CB 3.44Å; Y190-W240 VanDerWaalsContact CE1-CB 3.44Å; Y190-W240 HydrophobicContact CE1-CG 4.49Å; Y190-W240 HydrophobicContact CE2-CB 4.07Å; Y190-W240 HydrophobicContact CE2-CG 4.49Å; Y190-W240 VanDerWaalsContact CZ-CB 3.46Å; Y190-W240 PolarHBondContact N-O 3.09Å; Y190-W240 PolarHBondContact O-N 3.29Å; Y190-W242 HydrophobicContact CD1-CB 3.92Å; Y190-W242 HydrophobicContact CE1-CB 3.91Å; Y190-D248 WeakPolarHBondContact CE1-OD2 3.44Å; Y190-D248 PolarHBondContact OH-OD2 3.4Å
191	V	98.3	Very high	86.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.3	-176.8	-171.3	0	0	0	0	109.7	I157 V172 R206 T207 W218 F237 E238 V239	I157-V191 HydrophobicContact CD1-CG1 4.32Å; I157-V191 HydrophobicContact CD1-CG2 3.93Å; V172-V191 HydrophobicContact CG1-CB 4.2Å; V172-V191 HydrophobicContact CG1-CG1 4.43Å; V172-V191 HydrophobicContact CG1-CG2 3.79Å; V191-R206 CarbonylContact O-C 3.6Å; V191-R206 WeakPolarHBondContact O-CA 3.4Å; V191-T207 HydrophobicContact CB-CG2 4.04Å; V191-T207 HydrophobicContact CG2-CG2 4.43Å; V191-T207 PolarHBondContact N-OG1 3.17Å; V191-T207 PolarHBondContact O-N 2.97Å; V191-W218 HydrophobicContact CG2-CD2 4.13Å; V191-W218 HydrophobicContact CG2-CE3 4.14Å; V191-W218 HydrophobicContact CG2-CH2 3.63Å; V191-W218 HydrophobicContact CG2-CZ2 3.62Å; V191-W218 HydrophobicContact CG2-CZ3 3.89Å; V191-F237 HydrophobicContact CG1-CD1 4.34Å; V191-E238 CarbonylContact C-O 3.54Å; V191-E238 WeakPolarHBondContact CA-O 3.24Å; V191-V239 HydrophobicContact CG2-CG2 4.22Å
192	K	96.2	Very high	85.5	Confident	65 Å²	65	46.4 Å²	46.4	28%	0.283	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.8	166.9	-63.9	-178	-170	154.8	0	109.5	Y190 F205 F237 E238 W240	Y190-K192 HydrophobicContact CD2-CG 4.26Å; Y190-K192 HydrophobicContact CE2-CD 4.15Å; Y190-K192 HydrophobicContact CE2-CG 3.64Å; Y190-K192 WeakPolarHBondContact OH-CE 3.3Å; Y190-K192 PolarHBondContact OH-NZ 2.79Å; K192-F205 WeakPolarHBondContact CA-O 3.37Å; K192-F237 WeakPolarHBondContact O-CA 3.26Å; K192-E238 HydrophobicContact CB-CB 4.47Å; K192-E238 PolarHBondContact N-O 3.22Å; K192-E238 PolarHBondContact O-N 2.77Å; K192-W240 HydrophobicContact CD-CG 4.48Å
193	I	95.6	Very high	84.9	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.6	173.3	-43.7	161.5	0	0	0	108.1	V170 V172 F205 F222 I224 L235 H236 F237	V170-I193 HydrophobicContact CG1-CD1 3.92Å; V172-I193 HydrophobicContact CG2-CD1 3.98Å; I193-F205 HydrophobicContact CB-CB 4.08Å; I193-F205 HydrophobicContact CD1-CB 4.21Å; I193-F205 HydrophobicContact CG1-CB 4.49Å; I193-F205 PolarHBondContact N-O 2.99Å; I193-F205 PolarHBondContact O-N 3.14Å; I193-F222 HydrophobicContact CD1-CD2 3.55Å; I193-F222 HydrophobicContact CD1-CE2 3.91Å; I193-F222 HydrophobicContact CD1-CG 4.01Å; I193-I224 HydrophobicContact CG2-CD1 4.05Å; I193-L235 HydrophobicContact CG2-CD1 3.64Å; I193-L235 HydrophobicContact CG2-CG 4.07Å; I193-H236 VanDerWaalsContact CA-O 3.3Å; I193-H236 WeakPolarHBondContact CA-O 3.44Å; I193-F237 HydrophobicContact CD1-CE1 4.1Å; I193-F237 HydrophobicContact CG1-CD1 3.95Å; I193-F237 HydrophobicContact CG1-CE1 3.88Å; I193-F237 HydrophobicContact CG2-CD1 4.46Å; I193-F237 HydrophobicContact CG2-CE1 4.09Å; I193-F237 HydrophobicContact CG2-CZ 4.13Å
194	K	91.7	Very high	84.3	Confident	41 Å²	41	49.6 Å²	49.6	18%	0.178	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	154.8	-178.1	63.9	-178.6	-175	-168.1	0	112.1	G196 H236 E238	K194-G196 WeakPolarHBondContact CD-O 3.26Å; K194-G196 WeakPolarHBondContact CE-O 3.34Å; K194-G196 WeakPolarHBondContact CG-O 3.34Å; K194-H236 HydrophobicContact CG-CB 3.97Å; K194-H236 PolarHBondContact N-O 2.96Å; K194-H236 VanDerWaalsContact N-O 3.14Å; K194-H236 PolarHBondContact O-N 2.78Å; K194-E238 WeakPolarHBondContact CE-OE1 3.37Å; K194-E238 IonicContact NZ-OE1 3.55Å; K194-E238 PolarHBondContact NZ-OE1 2.53Å; K194-E238 IonicContact NZ-OE2 2.78Å; K194-E238 PolarHBondContact NZ-OE2 2.87Å
195	F	87.7	Confident	84.5	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	116.1	170.4	-67.1	-88	0	0	0	109.8	I224 L226 D230 K233 R234 L235 V258	F195-I224 HydrophobicContact CE2-CG2 3.37Å; F195-I224 HydrophobicContact CZ-CG2 3.56Å; F195-L226 HydrophobicContact CE1-CD2 3.67Å; F195-L226 HydrophobicContact CZ-CD2 3.72Å; F195-D230 HydrophobicContact CD1-CB 3.96Å; F195-D230 HydrophobicContact CE1-CB 4Å; F195-K233 HydrophobicContact CB-CD 4.28Å; F195-R234 WeakPolarHBondContact CA-O 3.45Å; F195-L235 HydrophobicContact CD1-CD1 4.07Å; F195-L235 HydrophobicContact CD2-CD1 4.37Å; F195-L235 HydrophobicContact CE1-CD1 3.82Å; F195-L235 HydrophobicContact CE2-CD1 4.16Å; F195-L235 HydrophobicContact CG-CD1 4.34Å; F195-L235 HydrophobicContact CZ-CD1 3.88Å; F195-V258 HydrophobicContact CD1-CG2 4.06Å; F195-V258 HydrophobicContact CE1-CG2 3.89Å
196	G	75.7	Confident	84.7	Confident	7 Å²	7	55.2 Å²	55.2	7%	0.072	28%	0.278	C	S	.	.	S	Bend	trans	65.4	-179.6	-176.8	0	0	0	0	0	115.6	K194 R234 H236	K194-G196 WeakPolarHBondContact CD-O 3.26Å; K194-G196 WeakPolarHBondContact CE-O 3.34Å; K194-G196 WeakPolarHBondContact CG-O 3.34Å; G196-R234 PolarHBondContact N-O 3.26Å; G196-H236 WeakPolarHBondContact CA-NE2 3.27Å; G196-H236 PolarHBondContact N-CD2 2.93Å; G196-H236 VanDerWaalsContact N-CD2 3.34Å
197	P	67.4	Low	84.9	Confident	96 Å²	96	52.4 Å²	52.4	62%	0.623	26%	0.264	S	S	*	.	S	Bend	trans	-72	-34.8	176.5	26.6	-32.1	0	0	0	112.7
198	T	63.4	Low	85	Confident	87 Å²	87	59.9 Å²	59.9	53%	0.534	30%	0.296	S	S	.	.	S	Bend	trans	-104	108.4	177.5	41.8	0	0	0	0	110	E200	T198-E200 PolarHBondContact O-N 2.78Å
199	D	61.6	Low	85	Confident	33 Å²	33	61.4 Å²	61.4	18%	0.176	31%	0.307	C	S	.	.			trans	-78.8	74.8	173.2	179.2	22.5	0	0	0	110	L201 G202 R203 K204	D199-L201 PolarHBondContact O-N 2.86Å; D199-G202 PolarHBondContact O-N 2.98Å; D199-G202 PolarHBondContact OD1-N 3.01Å; D199-G202 VanDerWaalsContact OD1-N 3.11Å; D199-G202 VanDerWaalsContact OD2-CA 3.24Å; D199-G202 WeakPolarHBondContact OD2-CA 3.24Å; D199-R203 PolarHBondContact OD1-N 2.83Å; D199-R203 PolarHBondContact OD2-N 2.94Å; D199-K204 WeakPolarHBondContact OD2-CG 3.12Å
200	E	65.4	Low	84.9	Confident	140 Å²	140	63.2 Å²	63.2	65%	0.654	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.2	-177.6	-69.4	162.5	172.8	0	0	112.9	T198 K233	T198-E200 PolarHBondContact O-N 2.78Å; E200-K233 IonicContact OE2-NZ 3.88Å; E200-K233 PolarHBondContact OE2-NZ 2.72Å
201	L	70.7	Confident	84.9	Confident	90 Å²	90	67.8 Å²	67.8	47%	0.471	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.9	179	-69.6	170.9	0	0	0	113	D199 R203 H227	D199-L201 PolarHBondContact O-N 2.86Å; L201-R203 HydrophobicContact CB-CG 4.07Å; L201-R203 VanDerWaalsContact CD1-CZ 3.47Å; L201-R203 PolarHBondContact O-N 3.39Å; L201-H227 HydrophobicContact CD1-CB 4.22Å
202	G	70.8	Confident	84.8	Confident	51 Å²	51	70.6 Å²	70.6	53%	0.526	36%	0.356	S	S	.	.			trans	63.7	20.2	179.9	0	0	0	0	0	114.8	D199 K204	D199-G202 PolarHBondContact O-N 2.98Å; D199-G202 PolarHBondContact OD1-N 3.01Å; D199-G202 VanDerWaalsContact OD1-N 3.11Å; D199-G202 VanDerWaalsContact OD2-CA 3.24Å; D199-G202 WeakPolarHBondContact OD2-CA 3.24Å; G202-K204 PolarHBondContact O-N 3.02Å
203	R	81.4	Confident	84.9	Confident	52 Å²	52	70.1 Å²	70.1	20%	0.196	36%	0.356	C	S	.	.			trans	-81.5	90.8	179.4	-65.2	177.5	-62.8	171.6	2.2	110.1	D199 L201 F205 D225 D230	D199-R203 PolarHBondContact OD1-N 2.83Å; D199-R203 PolarHBondContact OD2-N 2.94Å; L201-R203 HydrophobicContact CB-CG 4.07Å; L201-R203 VanDerWaalsContact CD1-CZ 3.47Å; L201-R203 PolarHBondContact O-N 3.39Å; R203-F205 HydrophobicContact CB-CE2 4.11Å; R203-D225 PolarHBondContact NH1-O 2.81Å; R203-D230 IonicContact CZ-OD1 3.55Å; R203-D230 IonicContact CZ-OD2 2.63Å; R203-D230 VanDerWaalsContact CZ-OD2 3.3Å; R203-D230 IonicContact NH1-OD1 3.73Å; R203-D230 IonicContact NH1-OD2 3.97Å; R203-D230 PolarHBondContact NH1-OD2 3.27Å; R203-D230 IonicContact NH2-OD1 2.68Å; R203-D230 PolarHBondContact NH2-OD1 3.41Å; R203-D230 IonicContact NH2-OD2 3.18Å; R203-D230 PolarHBondContact NH2-OD2 3.27Å
204	K	77.3	Confident	84.9	Confident	175 Å²	175	70.7 Å²	70.7	76%	0.761	36%	0.359	S	S	*	.			trans	-105.6	110.7	179.4	-61.4	-178.3	-177.2	171.9	0	111.5	D199 G202	D199-K204 WeakPolarHBondContact OD2-CG 3.12Å; G202-K204 PolarHBondContact O-N 3.02Å
205	F	94	Very high	85.3	Confident	50 Å²	50	72.1 Å²	72.1	22%	0.219	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.3	169.3	-49.7	-89.4	0	0	0	109	K192 I193 R203 F222 I224	K192-F205 WeakPolarHBondContact CA-O 3.37Å; I193-F205 HydrophobicContact CB-CB 4.08Å; I193-F205 HydrophobicContact CD1-CB 4.21Å; I193-F205 HydrophobicContact CG1-CB 4.49Å; I193-F205 PolarHBondContact N-O 2.99Å; I193-F205 PolarHBondContact O-N 3.14Å; R203-F205 HydrophobicContact CB-CE2 4.11Å; F205-F222 HydrophobicContact CB-CD1 3.9Å; F205-F222 HydrophobicContact CB-CE1 4.2Å; F205-F222 HydrophobicContact CB-CG 4.41Å; F205-F222 HydrophobicContact CD1-CB 4.47Å; F205-F222 AromaticContact CD1-CD1 3.99Å; F205-F222 HydrophobicContact CD1-CD1 3.99Å; F205-F222 HydrophobicContact CG-CD1 4.36Å; F205-I224 HydrophobicContact CD1-CG1 4.35Å; F205-I224 HydrophobicContact CD2-CD1 3.81Å; F205-I224 HydrophobicContact CD2-CG1 4.14Å; F205-I224 HydrophobicContact CE1-CG1 4.02Å; F205-I224 HydrophobicContact CE2-CB 4.35Å; F205-I224 HydrophobicContact CE2-CD1 3.86Å; F205-I224 HydrophobicContact CE2-CG1 3.8Å; F205-I224 HydrophobicContact CE2-CG2 3.77Å; F205-I224 HydrophobicContact CG-CD1 4.23Å; F205-I224 HydrophobicContact CG-CG1 4.41Å; F205-I224 HydrophobicContact CZ-CB 4.2Å; F205-I224 HydrophobicContact CZ-CD1 4.31Å; F205-I224 HydrophobicContact CZ-CG1 3.74Å; F205-I224 HydrophobicContact CZ-CG2 3.89Å
206	R	95.7	Very high	85.8	Confident	181 Å²	181	72 Å²	72	68%	0.683	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.7	174.7	71	178.8	-174.7	174.3	0.9	111.2	V191	V191-R206 CarbonylContact O-C 3.6Å; V191-R206 WeakPolarHBondContact O-CA 3.4Å
207	T	98.3	Very high	86.9	Confident	5 Å²	5	76 Å²	76	3%	0.031	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-76.7	169.3	169.3	64.4	0	0	0	0	111.3	V172 V191 W218 E220 F222	V172-T207 HydrophobicContact CB-CG2 3.97Å; V172-T207 HydrophobicContact CG1-CG2 3.93Å; V172-T207 HydrophobicContact CG2-CG2 4.25Å; V191-T207 HydrophobicContact CB-CG2 4.04Å; V191-T207 HydrophobicContact CG2-CG2 4.43Å; V191-T207 PolarHBondContact N-OG1 3.17Å; V191-T207 PolarHBondContact O-N 2.97Å; T207-W218 HydrophobicContact CG2-CB 4.23Å; T207-W218 HydrophobicContact CG2-CG 4.16Å; T207-W218 VanDerWaalsContact OG1-CD1 3.24Å; T207-W218 PolarHBondContact OG1-NE1 3.13Å; T207-E220 WeakPolarHBondContact CA-OE2 3.26Å; T207-E220 HydrophobicContact CG2-CB 4.22Å; T207-F222 HydrophobicContact CG2-CE2 3.81Å; T207-F222 HydrophobicContact CG2-CZ 3.85Å
208	K	97.9	Very high	88.3	Confident	156 Å²	156	72.2 Å²	72.2	68%	0.678	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-64.4	146.1	165.1	-65.3	171	-175	169.6	0	110.6	W218 E220	K208-W218 PolarHBondContact O-NE1 3.29Å; K208-E220 VanDerWaalsContact CB-OE1 3.31Å; K208-E220 WeakPolarHBondContact CB-OE1 3.27Å; K208-E220 WeakPolarHBondContact CG-OE1 3.48Å; K208-E220 PolarHBondContact N-OE1 3.08Å
209	T	98	Very high	90	Very high	51 Å²	51	73 Å²	73	31%	0.313	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-75.2	124.1	170.1	-53.2	0	0	0	0	110.3	D188 K211 W242	D188-T209 HydrophobicContact CB-CG2 3.96Å; D188-T209 VanDerWaalsContact O-CG2 3.3Å; D188-T209 WeakPolarHBondContact O-CG2 3.35Å; T209-K211 HydrophobicContact CG2-CD 4.28Å; T209-W242 HydrophobicContact CG2-CB 3.56Å; T209-W242 HydrophobicContact CG2-CG 4.14Å
210	I	98.2	Very high	91.7	Very high	38 Å²	38	73.2 Å²	73.2	20%	0.195	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-99.1	125.7	174.2	-66.8	175.7	0	0	0	108	D188 P189 N213 P216 V217 W218	D188-I210 CarbonylContact C-O 3.56Å; D188-I210 WeakPolarHBondContact CA-O 3.49Å; P189-I210 WeakPolarHBondContact CD-O 3.5Å; P189-I210 PolarHBondContact O-N 2.73Å; I210-N213 HydrophobicContact CG2-CB 3.85Å; I210-P216 HydrophobicContact CB-CB 4Å; I210-P216 HydrophobicContact CD1-CB 3.64Å; I210-P216 HydrophobicContact CG1-CB 4.35Å; I210-P216 HydrophobicContact CG2-CB 4.12Å; I210-V217 VanDerWaalsContact CD1-C 3.44Å; I210-V217 WeakPolarHBondContact CD1-O 3.48Å; I210-W218 HydrophobicContact CD1-CG 4.03Å
211	K	97.5	Very high	93.3	Very high	103 Å²	103	73 Å²	73	45%	0.448	36%	0.362	S	S	.	.	S	Bend	trans	-83.3	136.7	-171.4	-63.1	-59.8	-172.1	-175.9	0	113.4	D188 T209 N213	D188-K211 HydrophobicContact CB-CD 4.06Å; D188-K211 WeakPolarHBondContact OD1-CA 3.44Å; D188-K211 WeakPolarHBondContact OD1-CD 3.13Å; D188-K211 WeakPolarHBondContact OD2-CD 3.41Å; D188-K211 IonicContact OD2-NZ 3.12Å; D188-K211 PolarHBondContact OD2-NZ 3.13Å; T209-K211 HydrophobicContact CG2-CD 4.28Å; K211-N213 PolarHBondContact O-N 2.71Å
212	S	96.6	Very high	94.5	Very high	59 Å²	59	69.9 Å²	69.9	41%	0.413	35%	0.345	S	S	.	.	S	Bend	trans	49.1	52.5	168.8	-57.7	0	0	0	0	112.4	L186 A187 D188	L186-S212 WeakPolarHBondContact CD1-O 3.45Å; A187-S212 CarbonylContact O-C 3.1Å; A187-S212 WeakPolarHBondContact O-CA 3.42Å; A187-S212 PolarHBondContact O-N 3.5Å; A187-S212 VanDerWaalsContact O-N 3.1Å; D188-S212 PolarHBondContact OD1-N 2.85Å
213	N	97.6	Very high	95.7	Very high	54 Å²	54	70.9 Å²	70.9	29%	0.289	34%	0.34	S	S	.	.			trans	-147	124.3	-174.2	-166.8	-9.4	0	0	0	112.2	A187 P189 I210 K211 N215	A187-N213 PolarHBondContact O-N 3.4Å; P189-N213 VanDerWaalsContact CD-O 3.25Å; P189-N213 WeakPolarHBondContact CD-O 3.07Å; P189-N213 VanDerWaalsContact CG-O 3.26Å; P189-N213 WeakPolarHBondContact CG-O 3.39Å; I210-N213 HydrophobicContact CG2-CB 3.85Å; K211-N213 PolarHBondContact O-N 2.71Å; N213-N215 PolarHBondContact ND2-O 2.69Å; N213-N215 VanDerWaalsContact OD1-C 3.28Å; N213-N215 WeakPolarHBondContact OD1-CA 3.12Å; N213-N215 PolarHBondContact OD1-N 2.93Å; N213-N215 PolarHBondContact OD1-O 3.27Å
214	L	97.1	Very high	96.2	Very high	14 Å²	14	68.4 Å²	68.4	7%	0.073	33%	0.331	C	S	.	.	S	Bend	trans	-92.1	-1.3	174.8	-57.5	-179.4	0	0	0	113.8	N177 L178 P180 L186 A187	N177-L214 PolarHBondContact N-O 3.04Å; L178-L214 HydrophobicContact CB-CB 4.46Å; L178-L214 HydrophobicContact CB-CD2 4.38Å; L178-L214 WeakPolarHBondContact CG-O 3.23Å; L178-L214 PolarHBondContact N-O 3.25Å; P180-L214 HydrophobicContact CB-CD1 4.43Å; P180-L214 HydrophobicContact CG-CD1 3.82Å; L186-L214 HydrophobicContact CD2-CD1 4.38Å; L186-L214 HydrophobicContact CD2-CG 4.13Å; A187-L214 HydrophobicContact CB-CD2 3.77Å
215	N	98.1	Very high	96.9	Very high	71 Å²	71	65 Å²	65	38%	0.38	32%	0.322	S	S	.	.	S	Bend	trans	-130.2	61	175	-48.7	-79.6	0	0	0	109.9	Y77 G175 R176 N177 N213	Y77-N215 PolarHBondContact OH-OD1 2.98Å; G175-N215 CarbonylContact O-C 3.59Å; G175-N215 VanDerWaalsContact O-C 3.29Å; G175-N215 WeakPolarHBondContact O-CA 3.39Å; R176-N215 WeakPolarHBondContact CA-OD1 3.44Å; R176-N215 HydrophobicContact CG-CB 4.45Å; N177-N215 PolarHBondContact N-OD1 2.95Å; N213-N215 PolarHBondContact ND2-O 2.69Å; N213-N215 VanDerWaalsContact OD1-C 3.28Å; N213-N215 WeakPolarHBondContact OD1-CA 3.12Å; N213-N215 PolarHBondContact OD1-N 2.93Å; N213-N215 PolarHBondContact OD1-O 3.27Å
216	P	98.4	Very high	96.8	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.314	C	S	.	.			trans	-66.7	139.9	-178	29.2	-37.9	0	0	0	112.3	E174 G175 L178 P189 I210 W218	E174-P216 CarbonylContact C-O 3.53Å; E174-P216 WeakPolarHBondContact CA-O 3.48Å; E174-P216 WeakPolarHBondContact CB-O 3.46Å; G175-P216 PolarHBondContact N-O 3.16Å; G175-P216 WeakPolarHBondContact O-CD 3.18Å; L178-P216 HydrophobicContact CD1-CG 3.58Å; P189-P216 HydrophobicContact CB-CG 4.23Å; P189-P216 HydrophobicContact CG-CB 3.78Å; P189-P216 HydrophobicContact CG-CG 3.56Å; I210-P216 HydrophobicContact CB-CB 4Å; I210-P216 HydrophobicContact CD1-CB 3.64Å; I210-P216 HydrophobicContact CG1-CB 4.35Å; I210-P216 HydrophobicContact CG2-CB 4.12Å; P216-W218 HydrophobicContact CB-CD2 4.25Å; P216-W218 HydrophobicContact CB-CH2 4.13Å; P216-W218 HydrophobicContact CB-CZ2 3.8Å; P216-W218 HydrophobicContact CB-CZ3 4.46Å; P216-W218 HydrophobicContact CG-CD2 4.42Å; P216-W218 HydrophobicContact CG-CE3 4.32Å; P216-W218 HydrophobicContact CG-CH2 3.31Å; P216-W218 HydrophobicContact CG-CZ2 3.4Å; P216-W218 VanDerWaalsContact CG-CZ2 3.4Å; P216-W218 HydrophobicContact CG-CZ3 3.81Å
217	V	98.6	Very high	96.4	Very high	89 Å²	89	58.3 Å²	58.3	54%	0.539	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	102.7	168.1	-177.3	0	0	0	0	107.8	E174 I210 D219	E174-V217 HydrophobicContact CB-CB 4.4Å; E174-V217 HydrophobicContact CB-CG2 4.11Å; I210-V217 VanDerWaalsContact CD1-C 3.44Å; I210-V217 WeakPolarHBondContact CD1-O 3.48Å; V217-D219 HydrophobicContact CG1-CB 4.4Å
218	W	98.5	Very high	95.8	Very high	17 Å²	17	62.3 Å²	62.3	6%	0.064	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-49.6	177.9	-62.7	-77.5	0	0	0	110.8	I157 V172 K173 L178 P189 V191 T207 K208 I210 P216 E220 V239	I157-W218 HydrophobicContact CD1-CZ3 4.17Å; I157-W218 HydrophobicContact CG1-CZ3 4.28Å; V172-W218 HydrophobicContact CG1-CB 4.45Å; V172-W218 HydrophobicContact CG1-CD2 4.26Å; V172-W218 HydrophobicContact CG1-CE3 3.83Å; V172-W218 HydrophobicContact CG1-CZ3 4.41Å; K173-W218 PolarHBondContact O-N 2.86Å; L178-W218 HydrophobicContact CD1-CH2 4.33Å; P189-W218 HydrophobicContact CB-CZ2 3.96Å; P189-W218 HydrophobicContact CG-CZ2 4.31Å; P189-W218 PolarHBondContact O-NE1 2.95Å; V191-W218 HydrophobicContact CG2-CD2 4.13Å; V191-W218 HydrophobicContact CG2-CE3 4.14Å; V191-W218 HydrophobicContact CG2-CH2 3.63Å; V191-W218 HydrophobicContact CG2-CZ2 3.62Å; V191-W218 HydrophobicContact CG2-CZ3 3.89Å; T207-W218 HydrophobicContact CG2-CB 4.23Å; T207-W218 HydrophobicContact CG2-CG 4.16Å; T207-W218 VanDerWaalsContact OG1-CD1 3.24Å; T207-W218 PolarHBondContact OG1-NE1 3.13Å; K208-W218 PolarHBondContact O-NE1 3.29Å; I210-W218 HydrophobicContact CD1-CG 4.03Å; P216-W218 HydrophobicContact CB-CD2 4.25Å; P216-W218 HydrophobicContact CB-CH2 4.13Å; P216-W218 HydrophobicContact CB-CZ2 3.8Å; P216-W218 HydrophobicContact CB-CZ3 4.46Å; P216-W218 HydrophobicContact CG-CD2 4.42Å; P216-W218 HydrophobicContact CG-CE3 4.32Å; P216-W218 HydrophobicContact CG-CH2 3.31Å; P216-W218 HydrophobicContact CG-CZ2 3.4Å; P216-W218 VanDerWaalsContact CG-CZ2 3.4Å; P216-W218 HydrophobicContact CG-CZ3 3.81Å; W218-E220 HydrophobicContact CB-CG 4.43Å; W218-E220 PolarHBondContact O-N 2.71Å; W218-V239 HydrophobicContact CH2-CG1 4.44Å
219	D	97.9	Very high	95.2	Very high	103 Å²	103	59.5 Å²	59.5	55%	0.551	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	46.4	47.8	-174.2	-161.8	34.5	0	0	0	112.7	V172 K173 V217	V172-D219 WeakPolarHBondContact O-CA 3.45Å; V172-D219 PolarHBondContact O-N 3.48Å; V172-D219 VanDerWaalsContact O-N 3.11Å; K173-D219 VanDerWaalsContact CD-OD1 3.3Å; K173-D219 WeakPolarHBondContact CD-OD1 3.28Å; K173-D219 IonicContact NZ-OD1 2.59Å; K173-D219 PolarHBondContact NZ-OD1 3.23Å; K173-D219 PolarHBondContact O-N 3.26Å; V217-D219 HydrophobicContact CG1-CB 4.4Å
220	E	98.5	Very high	94.7	Very high	39 Å²	39	57 Å²	57	18%	0.182	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.3	-178.7	-70.2	-174.5	-135	0	0	111	E171 V172 T207 K208 W218 F222	E171-E220 CarbonylContact C-O 3.6Å; E171-E220 WeakPolarHBondContact CA-O 2.98Å; V172-E220 PolarHBondContact N-O 2.91Å; V172-E220 PolarHBondContact O-N 2.98Å; V172-E220 VanDerWaalsContact O-N 3.09Å; T207-E220 WeakPolarHBondContact CA-OE2 3.26Å; T207-E220 HydrophobicContact CG2-CB 4.22Å; K208-E220 VanDerWaalsContact CB-OE1 3.31Å; K208-E220 WeakPolarHBondContact CB-OE1 3.27Å; K208-E220 WeakPolarHBondContact CG-OE1 3.48Å; K208-E220 PolarHBondContact N-OE1 3.08Å; W218-E220 HydrophobicContact CB-CG 4.43Å; W218-E220 PolarHBondContact O-N 2.71Å; E220-F222 HydrophobicContact CB-CE2 3.88Å; E220-F222 HydrophobicContact CB-CZ 4.06Å
221	K	98	Very high	94.2	Very high	134 Å²	134	60.3 Å²	60.3	58%	0.583	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.4	179.8	176.6	169.5	164.6	159.6	0	110.5	V169 V170 E171	V169-K221 HydrophobicContact CG1-CD 4.09Å; V169-K221 VanDerWaalsContact CG1-CE 3.42Å; V169-K221 HydrophobicContact CG1-CG 4.23Å; V170-K221 CarbonylContact O-C 3.23Å; V170-K221 WeakPolarHBondContact O-CA 3.43Å; E171-K221 HydrophobicContact CG-CB 4.12Å; E171-K221 HydrophobicContact CG-CD 4.18Å; E171-K221 HydrophobicContact CG-CG 4.04Å
222	F	96.6	Very high	93.7	Very high	26 Å²	26	57.6 Å²	57.6	11%	0.114	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141.8	175.4	-55.6	-87	0	0	0	109.5	V170 V172 I193 F205 T207 E220 I224	V170-F222 HydrophobicContact CB-CB 4.4Å; V170-F222 PolarHBondContact N-O 2.97Å; V170-F222 PolarHBondContact O-N 3.29Å; V172-F222 HydrophobicContact CG2-CD2 4.26Å; V172-F222 HydrophobicContact CG2-CE2 4.01Å; I193-F222 HydrophobicContact CD1-CD2 3.55Å; I193-F222 HydrophobicContact CD1-CE2 3.91Å; I193-F222 HydrophobicContact CD1-CG 4.01Å; F205-F222 HydrophobicContact CB-CD1 3.9Å; F205-F222 HydrophobicContact CB-CE1 4.2Å; F205-F222 HydrophobicContact CB-CG 4.41Å; F205-F222 HydrophobicContact CD1-CB 4.47Å; F205-F222 AromaticContact CD1-CD1 3.99Å; F205-F222 HydrophobicContact CD1-CD1 3.99Å; F205-F222 HydrophobicContact CG-CD1 4.36Å; T207-F222 HydrophobicContact CG2-CE2 3.81Å; T207-F222 HydrophobicContact CG2-CZ 3.85Å; E220-F222 HydrophobicContact CB-CE2 3.88Å; E220-F222 HydrophobicContact CB-CZ 4.06Å; F222-I224 HydrophobicContact CB-CG1 4.31Å
223	T	94.9	Very high	93.4	Very high	71 Å²	71	56.6 Å²	56.6	44%	0.436	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.7	169.2	-59.7	0	0	0	0	107.4	R167 F168	R167-T223 HydrophobicContact CB-CG2 4.25Å; F168-T223 WeakPolarHBondContact O-CA 3.34Å
224	I	93.4	Very high	93.1	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	113.4	-170.6	-53.7	-178.7	0	0	0	108.1	R167 F168 V170 I193 F195 F205 F222 L235	R167-I224 CarbonylContact C-O 3.48Å; R167-I224 WeakPolarHBondContact CA-O 3.11Å; F168-I224 HydrophobicContact CB-CB 4.47Å; F168-I224 PolarHBondContact N-O 2.85Å; F168-I224 PolarHBondContact O-N 3.43Å; V170-I224 HydrophobicContact CG2-CD1 4.02Å; I193-I224 HydrophobicContact CG2-CD1 4.05Å; F195-I224 HydrophobicContact CE2-CG2 3.37Å; F195-I224 HydrophobicContact CZ-CG2 3.56Å; F205-I224 HydrophobicContact CD1-CG1 4.35Å; F205-I224 HydrophobicContact CD2-CD1 3.81Å; F205-I224 HydrophobicContact CD2-CG1 4.14Å; F205-I224 HydrophobicContact CE1-CG1 4.02Å; F205-I224 HydrophobicContact CE2-CB 4.35Å; F205-I224 HydrophobicContact CE2-CD1 3.86Å; F205-I224 HydrophobicContact CE2-CG1 3.8Å; F205-I224 HydrophobicContact CE2-CG2 3.77Å; F205-I224 HydrophobicContact CG-CD1 4.23Å; F205-I224 HydrophobicContact CG-CG1 4.41Å; F205-I224 HydrophobicContact CZ-CB 4.2Å; F205-I224 HydrophobicContact CZ-CD1 4.31Å; F205-I224 HydrophobicContact CZ-CG1 3.74Å; F205-I224 HydrophobicContact CZ-CG2 3.89Å; F222-I224 HydrophobicContact CB-CG1 4.31Å; I224-L235 HydrophobicContact CD1-CD1 4.49Å
225	D	92.1	Very high	93	Very high	104 Å²	104	54.6 Å²	54.6	56%	0.556	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.4	174.6	-55.6	-60	0	0	0	110.8	R167 R203	R167-D225 WeakPolarHBondContact CD-OD1 3.19Å; R167-D225 WeakPolarHBondContact CG-OD1 3.24Å; R203-D225 PolarHBondContact NH1-O 2.81Å
226	L	90.7	Very high	92.8	Very high	13 Å²	13	51.8 Å²	51.8	7%	0.068	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-86.5	127.6	177.6	-71.5	169.6	0	0	0	111.6	N166 F168 F195 D230 V258 I262	N166-L226 PolarHBondContact ND2-O 3.03Å; N166-L226 PolarHBondContact O-N 3.44Å; F168-L226 HydrophobicContact CD2-CD1 4.01Å; F168-L226 HydrophobicContact CD2-CD2 3.63Å; F168-L226 HydrophobicContact CD2-CG 3.96Å; F168-L226 HydrophobicContact CE1-CD1 4.48Å; F168-L226 HydrophobicContact CE2-CD1 3.62Å; F168-L226 HydrophobicContact CE2-CD2 3.36Å; F168-L226 HydrophobicContact CE2-CG 3.88Å; F168-L226 HydrophobicContact CZ-CD1 3.87Å; F168-L226 HydrophobicContact CZ-CD2 4.35Å; F195-L226 HydrophobicContact CE1-CD2 3.67Å; F195-L226 HydrophobicContact CZ-CD2 3.72Å; L226-D230 HydrophobicContact CD2-CB 4.07Å; L226-V258 HydrophobicContact CD1-CG1 4.45Å; L226-V258 HydrophobicContact CD2-CG1 4.05Å; L226-I262 HydrophobicContact CD1-CD1 4.26Å; L226-I262 HydrophobicContact CD1-CG1 4.46Å
227	H	88.6	Confident	92.8	Very high	77 Å²	77	51.8 Å²	51.8	36%	0.356	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-88.6	147.5	166.9	-168.5	-97	0	0	0	109.2	L201 D229 D230	L201-H227 HydrophobicContact CD1-CB 4.22Å; H227-D229 IonicContact CE1-OD2 3.76Å; H227-D229 PolarHBondContact CE1-OD2 3.47Å; H227-D229 PolarHBondContact ND1-N 2.97Å; H227-D229 IonicContact ND1-OD2 2.76Å; H227-D229 PolarHBondContact ND1-OD2 2.95Å; H227-D229 PolarHBondContact O-N 3.43Å; H227-D229 VanDerWaalsContact O-N 3.13Å; H227-D230 WeakPolarHBondContact CB-OD2 3.2Å; H227-D230 PolarHBondContact N-OD2 3.46Å; H227-D230 VanDerWaalsContact O-CB 3.22Å; H227-D230 WeakPolarHBondContact O-CB 3.37Å; H227-D230 PolarHBondContact O-N 3.44Å
228	P	85.4	Confident	92.7	Very high	89 Å²	89	48.1 Å²	48.1	58%	0.578	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-51.2	-37.7	176.8	-30.1	36.6	0	0	0	114	D230 E231	P228-D230 PolarHBondContact O-N 2.93Å; P228-D230 VanDerWaalsContact O-N 3.16Å; P228-E231 WeakPolarHBondContact O-CG 3.47Å; P228-E231 PolarHBondContact O-N 2.93Å
229	D	84.3	Confident	92.7	Very high	96 Å²	96	47.3 Å²	47.3	51%	0.513	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-65.7	-16.4	177.5	-58.6	-25.5	0	0	0	114.1	H227 E231 S232	H227-D229 IonicContact CE1-OD2 3.76Å; H227-D229 PolarHBondContact CE1-OD2 3.47Å; H227-D229 PolarHBondContact ND1-N 2.97Å; H227-D229 IonicContact ND1-OD2 2.76Å; H227-D229 PolarHBondContact ND1-OD2 2.95Å; H227-D229 PolarHBondContact O-N 3.43Å; H227-D229 VanDerWaalsContact O-N 3.13Å; D229-E231 VanDerWaalsContact C-N 3.33Å; D229-S232 PolarHBondContact O-OG 3.36Å
230	D	88.7	Confident	92.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-76.4	-20.1	179.2	-63	-37	0	0	0	112.8	F195 R203 L226 H227 P228 S232 K233 V258	F195-D230 HydrophobicContact CD1-CB 3.96Å; F195-D230 HydrophobicContact CE1-CB 4Å; R203-D230 IonicContact CZ-OD1 3.55Å; R203-D230 IonicContact CZ-OD2 2.63Å; R203-D230 VanDerWaalsContact CZ-OD2 3.3Å; R203-D230 IonicContact NH1-OD1 3.73Å; R203-D230 IonicContact NH1-OD2 3.97Å; R203-D230 PolarHBondContact NH1-OD2 3.27Å; R203-D230 IonicContact NH2-OD1 2.68Å; R203-D230 PolarHBondContact NH2-OD1 3.41Å; R203-D230 IonicContact NH2-OD2 3.18Å; R203-D230 PolarHBondContact NH2-OD2 3.27Å; L226-D230 HydrophobicContact CD2-CB 4.07Å; H227-D230 WeakPolarHBondContact CB-OD2 3.2Å; H227-D230 PolarHBondContact N-OD2 3.46Å; H227-D230 VanDerWaalsContact O-CB 3.22Å; H227-D230 WeakPolarHBondContact O-CB 3.37Å; H227-D230 PolarHBondContact O-N 3.44Å; P228-D230 PolarHBondContact O-N 2.93Å; P228-D230 VanDerWaalsContact O-N 3.16Å; D230-S232 PolarHBondContact O-N 3.35Å; D230-S232 VanDerWaalsContact O-N 3.13Å; D230-K233 WeakPolarHBondContact O-CA 3.31Å; D230-K233 WeakPolarHBondContact O-CB 3.31Å; D230-K233 PolarHBondContact O-N 3.07Å; D230-V258 WeakPolarHBondContact O-CB 3.16Å; D230-V258 WeakPolarHBondContact O-CG2 3.45Å
231	E	87.6	Confident	92.6	Very high	106 Å²	106	42.7 Å²	42.7	50%	0.495	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-58.5	-30.5	-177.7	-69.4	-178.2	176.6	0	0	112.8	P228 D229 Q605	P228-E231 WeakPolarHBondContact O-CG 3.47Å; P228-E231 PolarHBondContact O-N 2.93Å; D229-E231 VanDerWaalsContact C-N 3.33Å; E231-Q605 PolarHBondContact O-NE2 2.93Å
232	S	85.9	Confident	92.6	Very high	47 Å²	47	40.5 Å²	40.5	33%	0.329	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-87.5	-8.1	177.1	70.6	0	0	0	0	114.2	D229 D230 Q605	D229-S232 PolarHBondContact O-OG 3.36Å; D230-S232 PolarHBondContact O-N 3.35Å; D230-S232 VanDerWaalsContact O-N 3.13Å; S232-Q605 PolarHBondContact O-NE2 3.29Å
233	K	90	Very high	92.5	Very high	38 Å²	38	40.7 Å²	40.7	17%	0.165	21%	0.208	C	C	.	.	S	Bend	trans	-97.5	167.8	-174.6	-61.5	-178.1	-179.6	-176.7	0	110.5	F195 E200 D230 V258 Q605	F195-K233 HydrophobicContact CB-CD 4.28Å; E200-K233 IonicContact OE2-NZ 3.88Å; E200-K233 PolarHBondContact OE2-NZ 2.72Å; D230-K233 WeakPolarHBondContact O-CA 3.31Å; D230-K233 WeakPolarHBondContact O-CB 3.31Å; D230-K233 PolarHBondContact O-N 3.07Å; K233-V258 WeakPolarHBondContact O-CB 3.45Å; K233-V258 VanDerWaalsContact O-CG2 3.24Å; K233-V258 WeakPolarHBondContact O-CG2 3.45Å; K233-V258 PolarHBondContact O-N 2.93Å; K233-Q605 PolarHBondContact O-NE2 2.86Å; K233-Q605 PolarHBondContact O-OE1 3.16Å; K233-Q605 VanDerWaalsContact O-OE1 3.08Å
234	R	92.7	Very high	92.2	Very high	26 Å²	26	47.2 Å²	47.2	10%	0.098	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142.5	170.7	-60	-173.5	69.6	77.7	0.6	110.2	F195 G196 H236 S255 F256 G257 E260 E279 Y280 Q605	F195-R234 WeakPolarHBondContact CA-O 3.45Å; G196-R234 PolarHBondContact N-O 3.26Å; R234-H236 PolarHBondContact O-CD2 2.8Å; R234-S255 PolarHBondContact NE-OG 3.01Å; R234-S255 PolarHBondContact NH2-O 2.88Å; R234-F256 CarbonylContact C-O 3.6Å; R234-F256 WeakPolarHBondContact CA-O 3.39Å; R234-F256 WeakPolarHBondContact CB-O 3.5Å; R234-G257 VanDerWaalsContact CZ-N 3.34Å; R234-E260 IonicContact CZ-OE1 3.69Å; R234-E260 IonicContact NH1-OE1 3.78Å; R234-E260 PolarHBondContact NH1-OE1 3.37Å; R234-E260 IonicContact NH2-OE1 2.77Å; R234-E279 WeakPolarHBondContact CD-O 3.45Å; R234-Y280 PolarHBondContact NH2-O 3.19Å; R234-Q605 VanDerWaalsContact CG-OE1 3.26Å
235	L	94.1	Very high	92	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	108.4	171	-173.8	66.5	0	0	0	108.9	F168 V170 I193 F195 I224 F237 S255 F256 L261	F168-L235 HydrophobicContact CD2-CD2 4.39Å; V170-L235 HydrophobicContact CG2-CD2 4.23Å; I193-L235 HydrophobicContact CG2-CD1 3.64Å; I193-L235 HydrophobicContact CG2-CG 4.07Å; F195-L235 HydrophobicContact CD1-CD1 4.07Å; F195-L235 HydrophobicContact CD2-CD1 4.37Å; F195-L235 HydrophobicContact CE1-CD1 3.82Å; F195-L235 HydrophobicContact CE2-CD1 4.16Å; F195-L235 HydrophobicContact CG-CD1 4.34Å; F195-L235 HydrophobicContact CZ-CD1 3.88Å; I224-L235 HydrophobicContact CD1-CD1 4.49Å; L235-F237 HydrophobicContact CD2-CE2 3.86Å; L235-F237 HydrophobicContact CD2-CZ 3.94Å; L235-F237 HydrophobicContact CG-CE2 3.85Å; L235-F237 HydrophobicContact CG-CZ 4.27Å; L235-S255 VanDerWaalsContact O-CA 3.27Å; L235-S255 WeakPolarHBondContact O-CA 3.24Å; L235-F256 PolarHBondContact N-O 3.33Å; L235-F256 PolarHBondContact O-N 3.28Å; L235-L261 HydrophobicContact CD2-CD2 3.77Å
236	H	94.8	Very high	91.9	Very high	11 Å²	11	51.8 Å²	51.8	5%	0.051	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	142.1	-177.2	-63.4	-100.5	0	0	0	111.8	I193 K194 G196 R234 E279	I193-H236 VanDerWaalsContact CA-O 3.3Å; I193-H236 WeakPolarHBondContact CA-O 3.44Å; K194-H236 HydrophobicContact CG-CB 3.97Å; K194-H236 PolarHBondContact N-O 2.96Å; K194-H236 VanDerWaalsContact N-O 3.14Å; K194-H236 PolarHBondContact O-N 2.78Å; G196-H236 WeakPolarHBondContact CA-NE2 3.27Å; G196-H236 PolarHBondContact N-CD2 2.93Å; G196-H236 VanDerWaalsContact N-CD2 3.34Å; R234-H236 PolarHBondContact O-CD2 2.8Å; H236-E279 PolarHBondContact CE1-O 3.25Å
237	F	96.8	Very high	92	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	115.9	171.1	-66.6	-99.1	0	0	0	108	L159 I161 V170 V172 V191 K192 I193 L235 A253 L254 F256	L159-F237 HydrophobicContact CD1-CB 4.46Å; L159-F237 HydrophobicContact CD1-CD1 3.81Å; L159-F237 HydrophobicContact CD1-CD2 4.08Å; L159-F237 HydrophobicContact CD1-CE1 4.01Å; L159-F237 HydrophobicContact CD1-CE2 4.3Å; L159-F237 HydrophobicContact CD1-CG 3.85Å; L159-F237 HydrophobicContact CD1-CZ 4.26Å; L159-F237 HydrophobicContact CD2-CD1 3.89Å; L159-F237 HydrophobicContact CD2-CE1 3.91Å; I161-F237 HydrophobicContact CD1-CE2 3.86Å; I161-F237 HydrophobicContact CD1-CZ 3.58Å; I161-F237 HydrophobicContact CG1-CZ 4.43Å; V170-F237 HydrophobicContact CG1-CE1 3.51Å; V170-F237 HydrophobicContact CG1-CZ 3.67Å; V172-F237 HydrophobicContact CG2-CE1 4.43Å; V191-F237 HydrophobicContact CG1-CD1 4.34Å; K192-F237 WeakPolarHBondContact O-CA 3.26Å; I193-F237 HydrophobicContact CD1-CE1 4.1Å; I193-F237 HydrophobicContact CG1-CD1 3.95Å; I193-F237 HydrophobicContact CG1-CE1 3.88Å; I193-F237 HydrophobicContact CG2-CD1 4.46Å; I193-F237 HydrophobicContact CG2-CE1 4.09Å; I193-F237 HydrophobicContact CG2-CZ 4.13Å; L235-F237 HydrophobicContact CD2-CE2 3.86Å; L235-F237 HydrophobicContact CD2-CZ 3.94Å; L235-F237 HydrophobicContact CG-CE2 3.85Å; L235-F237 HydrophobicContact CG-CZ 4.27Å; F237-A253 CarbonylContact O-C 3.4Å; F237-A253 WeakPolarHBondContact O-CA 3.43Å; F237-A253 WeakPolarHBondContact O-CB 3.44Å; F237-L254 HydrophobicContact CB-CD2 4.16Å; F237-L254 HydrophobicContact CB-CG 4.22Å; F237-L254 PolarHBondContact N-O 2.94Å; F237-L254 PolarHBondContact O-N 2.82Å; F237-F256 AromaticContact CD2-CD2 3.97Å; F237-F256 HydrophobicContact CD2-CD2 3.97Å; F237-F256 AromaticContact CD2-CE2 3.89Å; F237-F256 HydrophobicContact CD2-CE2 3.89Å; F237-F256 AromaticContact CE2-CD2 3.71Å; F237-F256 HydrophobicContact CE2-CD2 3.71Å; F237-F256 AromaticContact CE2-CE2 3.8Å; F237-F256 HydrophobicContact CE2-CE2 3.8Å
238	E	96.9	Very high	92.3	Very high	13 Å²	13	60.3 Å²	60.3	6%	0.061	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.3	178.8	-58.2	179.8	158.6	0	0	109.7	V191 K192 K194 W240 A253	V191-E238 CarbonylContact C-O 3.54Å; V191-E238 WeakPolarHBondContact CA-O 3.24Å; K192-E238 HydrophobicContact CB-CB 4.47Å; K192-E238 PolarHBondContact N-O 3.22Å; K192-E238 PolarHBondContact O-N 2.77Å; K194-E238 WeakPolarHBondContact CE-OE1 3.37Å; K194-E238 IonicContact NZ-OE1 3.55Å; K194-E238 PolarHBondContact NZ-OE1 2.53Å; K194-E238 IonicContact NZ-OE2 2.78Å; K194-E238 PolarHBondContact NZ-OE2 2.87Å; E238-W240 PolarHBondContact OE2-NE1 3.45Å; E238-A253 HydrophobicContact CG-CB 4.06Å
239	V	98.3	Very high	92.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.7	172.5	-171.3	0	0	0	0	108.1	I157 L178 P189 Y190 V191 W218 M251 G252 L272	I157-V239 HydrophobicContact CD1-CG2 4.07Å; L178-V239 HydrophobicContact CD1-CG1 4.29Å; P189-V239 HydrophobicContact CB-CG1 4.27Å; Y190-V239 WeakPolarHBondContact O-CA 3.44Å; V191-V239 HydrophobicContact CG2-CG2 4.22Å; W218-V239 HydrophobicContact CH2-CG1 4.44Å; V239-M251 HydrophobicContact CB-CB 4.27Å; V239-M251 HydrophobicContact CG1-CB 4.15Å; V239-M251 HydrophobicContact CG1-SD 3.84Å; V239-M251 WeakPolarHBondContact O-CB 3.48Å; V239-M251 PolarHBondContact O-N 3.15Å; V239-G252 PolarHBondContact N-O 3.48Å; V239-G252 PolarHBondContact O-N 3.01Å; V239-L272 HydrophobicContact CB-CD1 4.28Å; V239-L272 HydrophobicContact CB-CD2 4.39Å; V239-L272 HydrophobicContact CG2-CD1 3.89Å; V239-L272 HydrophobicContact CG2-CD2 3.53Å; V239-L272 HydrophobicContact CG2-CG 4.39Å
240	W	98.1	Very high	93.4	Very high	43 Å²	43	56.4 Å²	56.4	16%	0.163	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.9	-177.7	-69.5	85.9	0	0	0	109.7	P189 Y190 K192 E238 D248 D249 F250	P189-W240 CarbonylContact C-O 3.59Å; P189-W240 VanDerWaalsContact CA-O 3.28Å; P189-W240 WeakPolarHBondContact CA-O 3.43Å; Y190-W240 HydrophobicContact CD1-CB 4.01Å; Y190-W240 WeakPolarHBondContact CD1-O 3.27Å; Y190-W240 HydrophobicContact CE1-CB 3.44Å; Y190-W240 VanDerWaalsContact CE1-CB 3.44Å; Y190-W240 HydrophobicContact CE1-CG 4.49Å; Y190-W240 HydrophobicContact CE2-CB 4.07Å; Y190-W240 HydrophobicContact CE2-CG 4.49Å; Y190-W240 VanDerWaalsContact CZ-CB 3.46Å; Y190-W240 PolarHBondContact N-O 3.09Å; Y190-W240 PolarHBondContact O-N 3.29Å; K192-W240 HydrophobicContact CD-CG 4.48Å; E238-W240 PolarHBondContact OE2-NE1 3.45Å; W240-D248 HydrophobicContact CE3-CB 4.07Å; W240-D248 WeakPolarHBondContact CZ3-O 3.48Å; W240-D249 CarbonylContact C-O 3.49Å; W240-D249 WeakPolarHBondContact CA-O 3.45Å; W240-F250 HydrophobicContact CE3-CB 4.29Å; W240-F250 HydrophobicContact CH2-CB 4.19Å; W240-F250 HydrophobicContact CH2-CD2 4.33Å; W240-F250 HydrophobicContact CZ2-CD2 4.11Å; W240-F250 HydrophobicContact CZ3-CB 3.96Å
241	D	98	Very high	93.9	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	118.7	168.8	-175.7	43.2	0	0	0	108.5	M181 A187 D188 D248 D249 M251	M181-D241 HydrophobicContact CB-CB 3.9Å; M181-D241 WeakPolarHBondContact CB-OD2 3.46Å; M181-D241 HydrophobicContact CG-CB 3.95Å; A187-D241 WeakPolarHBondContact CA-OD1 3.43Å; A187-D241 WeakPolarHBondContact CB-OD1 3.27Å; D188-D241 WeakPolarHBondContact CA-OD1 3.4Å; D188-D241 PolarHBondContact N-OD1 2.94Å; D241-D248 CarbonylContact O-C 3.5Å; D241-D248 WeakPolarHBondContact O-CA 3.47Å; D241-D248 WeakPolarHBondContact O-CB 3.33Å; D241-D249 HydrophobicContact CB-CB 4.11Å; D241-D249 PolarHBondContact N-O 2.77Å; D241-D249 PolarHBondContact O-N 3.02Å; D241-M251 HydrophobicContact CB-CG 3.86Å; D241-M251 HydrophobicContact CB-SD 3.89Å
242	W	97.4	Very high	94.3	Very high	88 Å²	88	51.3 Å²	51.3	33%	0.333	24%	0.24	S	C	.	.			trans	-76.5	134.5	179.1	179	84	0	0	0	110.5	D188 Y190 T209 R244	D188-W242 HydrophobicContact CB-CB 4.22Å; D188-W242 PolarHBondContact O-N 3.06Å; Y190-W242 HydrophobicContact CD1-CB 3.92Å; Y190-W242 HydrophobicContact CE1-CB 3.91Å; T209-W242 HydrophobicContact CG2-CB 3.56Å; T209-W242 HydrophobicContact CG2-CG 4.14Å; W242-R244 HydrophobicContact CH2-CB 3.68Å; W242-R244 HydrophobicContact CH2-CG 4.08Å; W242-R244 HydrophobicContact CZ3-CB 3.74Å
243	D	94.4	Very high	94.9	Very high	30 Å²	30	49.2 Å²	49.2	16%	0.16	23%	0.225	C	C	.	.			trans	-121.2	140.8	-179.9	-111.2	-35.1	0	0	0	112.4	S246 D248	D243-S246 WeakPolarHBondContact CB-OG 3.36Å; D243-S246 PolarHBondContact OD1-OG 2.81Å; D243-S246 WeakPolarHBondContact OD2-CB 3.48Å; D243-S246 PolarHBondContact OD2-OG 3.19Å; D243-D248 PolarHBondContact N-OD1 3.39Å
244	R	89.1	Confident	95.2	Very high	209 Å²	209	47.4 Å²	47.4	79%	0.789	22%	0.217	S	C	*	.	S	Bend	trans	-78.4	-40.7	179.4	-175.6	178.9	170.7	83.8	2.3	112.4	W242	W242-R244 HydrophobicContact CH2-CB 3.68Å; W242-R244 HydrophobicContact CH2-CG 4.08Å; W242-R244 HydrophobicContact CZ3-CB 3.74Å
245	T	87.8	Confident	95.4	Very high	133 Å²	133	46.1 Å²	46.1	82%	0.816	21%	0.213	S	C	*	.	S	Bend	trans	-116.5	-6.1	-167.2	49.2	0	0	0	0	113.7
246	S	90.3	Very high	95.4	Very high	67 Å²	67	46.4 Å²	46.4	47%	0.469	21%	0.214	S	C	.	.	S	Bend	trans	-124.9	177.7	-179.1	18.1	0	0	0	0	110	D243	D243-S246 WeakPolarHBondContact CB-OG 3.36Å; D243-S246 PolarHBondContact OD1-OG 2.81Å; D243-S246 WeakPolarHBondContact OD2-CB 3.48Å; D243-S246 PolarHBondContact OD2-OG 3.19Å
247	R	93.2	Very high	95.3	Very high	227 Å²	227	45.9 Å²	45.9	86%	0.857	21%	0.211	S	C	*	.	P	Polyproline II helix	trans	-74.4	141	165	-67.1	-177.9	178.9	179.7	-0.4	108.1	D249	R247-D249 PolarHBondContact O-N 3.01Å
248	D	95.2	Very high	95.1	Very high	43 Å²	43	45.9 Å²	45.9	23%	0.23	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-50.4	136.6	173.2	-62.6	-5.5	0	0	0	111.8	Y190 W240 D241 D243	Y190-D248 WeakPolarHBondContact CE1-OD2 3.44Å; Y190-D248 PolarHBondContact OH-OD2 3.4Å; W240-D248 HydrophobicContact CE3-CB 4.07Å; W240-D248 WeakPolarHBondContact CZ3-O 3.48Å; D241-D248 CarbonylContact O-C 3.5Å; D241-D248 WeakPolarHBondContact O-CA 3.47Å; D241-D248 WeakPolarHBondContact O-CB 3.33Å; D243-D248 PolarHBondContact N-OD1 3.39Å
249	D	96.5	Very high	94.7	Very high	71 Å²	71	47.8 Å²	47.8	38%	0.38	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	140.3	-176.4	-87.3	-34.4	0	0	0	111.9	M181 W240 D241 R247 M251	M181-D249 HydrophobicContact CE-CB 3.59Å; W240-D249 CarbonylContact C-O 3.49Å; W240-D249 WeakPolarHBondContact CA-O 3.45Å; D241-D249 HydrophobicContact CB-CB 4.11Å; D241-D249 PolarHBondContact N-O 2.77Å; D241-D249 PolarHBondContact O-N 3.02Å; R247-D249 PolarHBondContact O-N 3.01Å; D249-M251 PolarHBondContact O-N 3.35Å
250	F	96.9	Very high	94.3	Very high	31 Å²	31	50.1 Å²	50.1	14%	0.136	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	120.8	179.2	176.4	-96	0	0	0	111.4	W240 G252 A253 Q275	W240-F250 HydrophobicContact CE3-CB 4.29Å; W240-F250 HydrophobicContact CH2-CB 4.19Å; W240-F250 HydrophobicContact CH2-CD2 4.33Å; W240-F250 HydrophobicContact CZ2-CD2 4.11Å; W240-F250 HydrophobicContact CZ3-CB 3.96Å; F250-G252 VanDerWaalsContact CE1-CA 3.47Å; F250-A253 HydrophobicContact CE2-CB 3.71Å; F250-A253 HydrophobicContact CZ-CB 3.62Å; F250-Q275 HydrophobicContact CD1-CB 4.39Å; F250-Q275 HydrophobicContact CE1-CB 3.88Å; F250-Q275 HydrophobicContact CE2-CB 4.24Å; F250-Q275 HydrophobicContact CE2-CG 4.39Å; F250-Q275 VanDerWaalsContact CZ-CA 3.49Å; F250-Q275 HydrophobicContact CZ-CB 3.78Å; F250-Q275 HydrophobicContact CZ-CG 4.38Å
251	M	97.5	Very high	94	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-43.8	179	-54.9	-178.8	81.7	0	0	111.6	R154 L178 I179 M181 A187 P189 V239 D241 D249	R154-M251 WeakPolarHBondContact CD-O 3.47Å; R154-M251 PolarHBondContact NH1-O 3.16Å; L178-M251 HydrophobicContact CB-CE 3.75Å; L178-M251 HydrophobicContact CD1-CE 4.24Å; I179-M251 WeakPolarHBondContact O-CE 3.37Å; M181-M251 HydrophobicContact CG-CE 4.11Å; M181-M251 HydrophobicContact CG-CG 3.97Å; A187-M251 HydrophobicContact CB-CE 3.41Å; A187-M251 VanDerWaalsContact CB-CE 3.41Å; A187-M251 HydrophobicContact CB-SD 4.3Å; P189-M251 HydrophobicContact CB-CE 4.42Å; P189-M251 HydrophobicContact CB-SD 3.84Å; V239-M251 HydrophobicContact CB-CB 4.27Å; V239-M251 HydrophobicContact CG1-CB 4.15Å; V239-M251 HydrophobicContact CG1-SD 3.84Å; V239-M251 WeakPolarHBondContact O-CB 3.48Å; V239-M251 PolarHBondContact O-N 3.15Å; D241-M251 HydrophobicContact CB-CG 3.86Å; D241-M251 HydrophobicContact CB-SD 3.89Å; D249-M251 PolarHBondContact O-N 3.35Å
252	G	97.8	Very high	93.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.6	164.4	178.1	0	0	0	0	0	113.3	V239 F250 L273	V239-G252 PolarHBondContact N-O 3.48Å; V239-G252 PolarHBondContact O-N 3.01Å; F250-G252 VanDerWaalsContact CE1-CA 3.47Å; G252-L273 CarbonylContact C-O 3.6Å; G252-L273 WeakPolarHBondContact CA-O 3.45Å
253	A	97.5	Very high	93.3	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.017	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	166.4	-179.1	0	0	0	0	0	113.2	F237 E238 F250 L273	F237-A253 CarbonylContact O-C 3.4Å; F237-A253 WeakPolarHBondContact O-CA 3.43Å; F237-A253 WeakPolarHBondContact O-CB 3.44Å; E238-A253 HydrophobicContact CG-CB 4.06Å; F250-A253 HydrophobicContact CE2-CB 3.71Å; F250-A253 HydrophobicContact CZ-CB 3.62Å; A253-L273 PolarHBondContact N-O 3.38Å; A253-L273 WeakPolarHBondContact O-CA 3.28Å; A253-L273 VanDerWaalsContact O-CB 3.29Å; A253-L273 WeakPolarHBondContact O-CB 3.4Å; A253-L273 PolarHBondContact O-N 2.88Å
254	L	97.1	Very high	92.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	167.3	163.6	64.6	144.2	0	0	0	109.5	I157 L159 F237 F256 F270 L272 G278 Y281	I157-L254 HydrophobicContact CG2-CD2 3.6Å; L159-L254 HydrophobicContact CD1-CD1 4.08Å; L159-L254 HydrophobicContact CD1-CD2 4.49Å; F237-L254 HydrophobicContact CB-CD2 4.16Å; F237-L254 HydrophobicContact CB-CG 4.22Å; F237-L254 PolarHBondContact N-O 2.94Å; F237-L254 PolarHBondContact O-N 2.82Å; L254-F256 HydrophobicContact CD1-CE1 4.45Å; L254-F256 HydrophobicContact CD1-CE2 3.51Å; L254-F256 HydrophobicContact CD1-CZ 3.48Å; L254-F256 VanDerWaalsContact CD1-CZ 3.48Å; L254-F256 HydrophobicContact CG-CE2 4.46Å; L254-F270 HydrophobicContact CD1-CB 3.71Å; L254-F270 HydrophobicContact CD1-CD1 3.96Å; L254-F270 HydrophobicContact CD1-CD2 4.35Å; L254-F270 HydrophobicContact CD1-CG 3.73Å; L254-F270 HydrophobicContact CD2-CB 4.41Å; L254-L272 HydrophobicContact CD2-CD2 3.9Å; L254-G278 CarbonylContact C-O 3.46Å; L254-G278 WeakPolarHBondContact CA-O 3.47Å; L254-Y281 WeakPolarHBondContact CA-O 3.5Å; L254-Y281 WeakPolarHBondContact CB-O 3.45Å
255	S	95.5	Very high	92.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	152.8	175.4	64	0	0	0	0	112.5	R234 L235 G278 E279 Y280 Y281 S282	R234-S255 PolarHBondContact NE-OG 3.01Å; R234-S255 PolarHBondContact NH2-O 2.88Å; L235-S255 VanDerWaalsContact O-CA 3.27Å; L235-S255 WeakPolarHBondContact O-CA 3.24Å; S255-G278 VanDerWaalsContact CB-O 3.31Å; S255-G278 WeakPolarHBondContact CB-O 3.47Å; S255-G278 PolarHBondContact N-O 3.07Å; S255-G278 VanDerWaalsContact N-O 3.16Å; S255-G278 PolarHBondContact OG-O 3.33Å; S255-G278 VanDerWaalsContact OG-O 3.07Å; S255-E279 PolarHBondContact OG-O 3.18Å; S255-Y280 PolarHBondContact OG-N 2.97Å; S255-Y281 PolarHBondContact N-O 2.94Å; S255-Y281 CarbonylContact O-C 3.53Å; S255-S282 WeakPolarHBondContact O-CB 3.47Å
256	F	94.3	Very high	93.1	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.6	176.4	-57.9	-87.2	0	0	0	109.7	L159 I161 R234 L235 F237 L254 L261 I266 F270 S282	L159-F256 HydrophobicContact CD1-CE2 3.93Å; L159-F256 HydrophobicContact CD1-CZ 4.31Å; I161-F256 HydrophobicContact CD1-CD2 4.14Å; I161-F256 HydrophobicContact CD1-CE2 3.93Å; I161-F256 HydrophobicContact CD1-CZ 4.5Å; R234-F256 CarbonylContact C-O 3.6Å; R234-F256 WeakPolarHBondContact CA-O 3.39Å; R234-F256 WeakPolarHBondContact CB-O 3.5Å; L235-F256 PolarHBondContact N-O 3.33Å; L235-F256 PolarHBondContact O-N 3.28Å; F237-F256 AromaticContact CD2-CD2 3.97Å; F237-F256 HydrophobicContact CD2-CD2 3.97Å; F237-F256 AromaticContact CD2-CE2 3.89Å; F237-F256 HydrophobicContact CD2-CE2 3.89Å; F237-F256 AromaticContact CE2-CD2 3.71Å; F237-F256 HydrophobicContact CE2-CD2 3.71Å; F237-F256 AromaticContact CE2-CE2 3.8Å; F237-F256 HydrophobicContact CE2-CE2 3.8Å; L254-F256 HydrophobicContact CD1-CE1 4.45Å; L254-F256 HydrophobicContact CD1-CE2 3.51Å; L254-F256 HydrophobicContact CD1-CZ 3.48Å; L254-F256 VanDerWaalsContact CD1-CZ 3.48Å; L254-F256 HydrophobicContact CG-CE2 4.46Å; F256-L261 HydrophobicContact CB-CB 4.43Å; F256-L261 HydrophobicContact CB-CD1 4.49Å; F256-L261 HydrophobicContact CB-CD2 4.4Å; F256-L261 HydrophobicContact CG-CD1 4.49Å; F256-I266 HydrophobicContact CD1-CG1 4.46Å; F256-I266 HydrophobicContact CE1-CD1 4.19Å; F256-I266 HydrophobicContact CE1-CG1 4.14Å; F256-I266 HydrophobicContact CZ-CG2 4.45Å; F256-F270 HydrophobicContact CE1-CD1 4.33Å; F256-F270 AromaticContact CE1-CE1 3.63Å; F256-F270 HydrophobicContact CE1-CE1 3.63Å; F256-F270 HydrophobicContact CE1-CE2 4.27Å; F256-F270 AromaticContact CE1-CZ 3.6Å; F256-F270 HydrophobicContact CE1-CZ 3.6Å; F256-F270 HydrophobicContact CZ-CD1 4.14Å; F256-F270 HydrophobicContact CZ-CD2 4.18Å; F256-F270 AromaticContact CZ-CE1 3.79Å; F256-F270 HydrophobicContact CZ-CE1 3.79Å; F256-F270 AromaticContact CZ-CE2 3.86Å; F256-F270 HydrophobicContact CZ-CE2 3.86Å; F256-F270 HydrophobicContact CZ-CG 4.32Å; F256-F270 AromaticContact CZ-CZ 3.65Å; F256-F270 HydrophobicContact CZ-CZ 3.65Å; F256-S282 WeakPolarHBondContact CD1-OG 3.28Å; F256-S282 WeakPolarHBondContact CE1-OG 3.44Å
257	G	93	Very high	93.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	136.8	168.5	0	0	0	0	0	110.4	R234 T259 E260 L261	R234-G257 VanDerWaalsContact CZ-N 3.34Å; G257-T259 VanDerWaalsContact C-N 3.3Å; G257-T259 PolarHBondContact O-N 3.31Å; G257-E260 WeakPolarHBondContact O-CB 3.5Å; G257-E260 PolarHBondContact O-N 3.32Å; G257-E260 VanDerWaalsContact O-N 3.14Å; G257-L261 WeakPolarHBondContact O-CB 3.43Å; G257-L261 PolarHBondContact O-N 3.39Å
258	V	92.6	Very high	93.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-42.9	-177.3	165.6	0	0	0	0	110.7	F168 F195 L226 D230 K233 E260 L261 I262	F168-V258 HydrophobicContact CE2-CG1 4.05Å; F168-V258 HydrophobicContact CE2-CG2 4.3Å; F168-V258 HydrophobicContact CZ-CG1 4.11Å; F195-V258 HydrophobicContact CD1-CG2 4.06Å; F195-V258 HydrophobicContact CE1-CG2 3.89Å; L226-V258 HydrophobicContact CD1-CG1 4.45Å; L226-V258 HydrophobicContact CD2-CG1 4.05Å; D230-V258 WeakPolarHBondContact O-CB 3.16Å; D230-V258 WeakPolarHBondContact O-CG2 3.45Å; K233-V258 WeakPolarHBondContact O-CB 3.45Å; K233-V258 VanDerWaalsContact O-CG2 3.24Å; K233-V258 WeakPolarHBondContact O-CG2 3.45Å; K233-V258 PolarHBondContact O-N 2.93Å; V258-E260 VanDerWaalsContact C-N 3.34Å; V258-E260 PolarHBondContact O-N 2.88Å; V258-L261 PolarHBondContact O-N 3.08Å; V258-I262 HydrophobicContact CG1-CD1 3.98Å; V258-I262 VanDerWaalsContact O-CG1 3.31Å; V258-I262 WeakPolarHBondContact O-CG1 3.24Å; V258-I262 PolarHBondContact O-N 3.34Å
259	T	89.4	Confident	93.4	Very high	52 Å²	52	35.4 Å²	35.4	32%	0.319	18%	0.182	S	C	.	.	H	α-helix	trans	-63.9	-36.1	174.7	52.4	0	0	0	0	113	G257 K263	G257-T259 VanDerWaalsContact C-N 3.3Å; G257-T259 PolarHBondContact O-N 3.31Å; T259-K263 WeakPolarHBondContact O-CG 3.34Å; T259-K263 PolarHBondContact O-N 2.94Å
260	E	89.6	Confident	93.4	Very high	49 Å²	49	32.2 Å²	32.2	23%	0.229	16%	0.164	C	C	.	.	H	α-helix	trans	-64.9	-41.7	175.2	-55.5	175	-138	0	0	111	R234 G257 V258 K263 K264 Q605	R234-E260 IonicContact CZ-OE1 3.69Å; R234-E260 IonicContact NH1-OE1 3.78Å; R234-E260 PolarHBondContact NH1-OE1 3.37Å; R234-E260 IonicContact NH2-OE1 2.77Å; G257-E260 WeakPolarHBondContact O-CB 3.5Å; G257-E260 PolarHBondContact O-N 3.32Å; G257-E260 VanDerWaalsContact O-N 3.14Å; V258-E260 VanDerWaalsContact C-N 3.34Å; V258-E260 PolarHBondContact O-N 2.88Å; E260-K263 PolarHBondContact O-N 3.36Å; E260-K264 PolarHBondContact O-N 2.79Å; E260-Q605 HydrophobicContact CG-CB 4.33Å; E260-Q605 WeakPolarHBondContact OE1-CB 3.12Å; E260-Q605 PolarHBondContact OE1-N 3.03Å
261	L	91.2	Very high	93.3	Very high	4 Å²	4	31 Å²	31	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-75.1	-32.3	-176.6	-169.4	63.1	0	0	0	113	I161 F168 L235 F256 G257 V258 K263 K264 I266	I161-L261 HydrophobicContact CB-CD1 3.97Å; I161-L261 HydrophobicContact CD1-CD1 4.08Å; I161-L261 HydrophobicContact CD1-CD2 4.42Å; I161-L261 HydrophobicContact CG2-CD1 3.81Å; I161-L261 HydrophobicContact CG2-CD2 3.83Å; I161-L261 HydrophobicContact CG2-CG 4.03Å; F168-L261 HydrophobicContact CD1-CD2 3.88Å; F168-L261 HydrophobicContact CD1-CG 4.06Å; F168-L261 HydrophobicContact CD2-CD2 4.23Å; F168-L261 HydrophobicContact CE1-CB 3.93Å; F168-L261 HydrophobicContact CE1-CD2 3.57Å; F168-L261 HydrophobicContact CE1-CG 3.49Å; F168-L261 VanDerWaalsContact CE1-CG 3.49Å; F168-L261 HydrophobicContact CE2-CD2 3.91Å; F168-L261 HydrophobicContact CG-CD2 4.22Å; F168-L261 HydrophobicContact CZ-CB 3.88Å; F168-L261 HydrophobicContact CZ-CD2 3.59Å; F168-L261 HydrophobicContact CZ-CG 3.82Å; L235-L261 HydrophobicContact CD2-CD2 3.77Å; F256-L261 HydrophobicContact CB-CB 4.43Å; F256-L261 HydrophobicContact CB-CD1 4.49Å; F256-L261 HydrophobicContact CB-CD2 4.4Å; F256-L261 HydrophobicContact CG-CD1 4.49Å; G257-L261 WeakPolarHBondContact O-CB 3.43Å; G257-L261 PolarHBondContact O-N 3.39Å; V258-L261 PolarHBondContact O-N 3.08Å; L261-K263 VanDerWaalsContact C-N 3.34Å; L261-K264 CarbonylContact O-C 3.54Å; L261-I266 HydrophobicContact CD1-CG1 3.62Å
262	I	91.5	Very high	93.4	Very high	52 Å²	52	31.2 Å²	31.2	27%	0.267	16%	0.16	S	C	.	.	H	α-helix	trans	-62.5	-44	171.1	-72.4	167.1	0	0	0	110.3	W163 F168 L226 V258 K264	W163-I262 HydrophobicContact CD2-CB 4.36Å; W163-I262 HydrophobicContact CD2-CG1 4.13Å; W163-I262 HydrophobicContact CD2-CG2 3.95Å; W163-I262 HydrophobicContact CE3-CG2 3.84Å; W163-I262 HydrophobicContact CG-CG1 4.12Å; W163-I262 HydrophobicContact CH2-CG2 4.01Å; W163-I262 HydrophobicContact CZ2-CG2 4.12Å; W163-I262 HydrophobicContact CZ3-CG2 3.87Å; F168-I262 HydrophobicContact CE1-CG1 4.12Å; F168-I262 HydrophobicContact CZ-CG1 3.88Å; L226-I262 HydrophobicContact CD1-CD1 4.26Å; L226-I262 HydrophobicContact CD1-CG1 4.46Å; V258-I262 HydrophobicContact CG1-CD1 3.98Å; V258-I262 VanDerWaalsContact O-CG1 3.31Å; V258-I262 WeakPolarHBondContact O-CG1 3.24Å; V258-I262 PolarHBondContact O-N 3.34Å; I262-K264 VanDerWaalsContact C-N 3.34Å; I262-K264 PolarHBondContact O-N 3.25Å
263	K	88.5	Confident	93.3	Very high	133 Å²	133	31.6 Å²	31.6	58%	0.578	16%	0.162	S	C	*	.	H	α-helix	trans	-70.1	-30.1	-178	-71.1	175.6	-178.6	-179.1	0	112.8	T259 E260 L261 L603	T259-K263 WeakPolarHBondContact O-CG 3.34Å; T259-K263 PolarHBondContact O-N 2.94Å; E260-K263 PolarHBondContact O-N 3.36Å; L261-K263 VanDerWaalsContact C-N 3.34Å; K263-L603 HydrophobicContact CD-CD2 4.49Å
264	K	85.5	Confident	93.2	Very high	82 Å²	82	33.2 Å²	33.2	36%	0.357	17%	0.173	S	C	.	.	S	Bend	trans	-143.4	123.6	-176.7	-161.9	-171	-175.4	-149.1	0	114.4	E260 L261 I262 Y301	E260-K264 PolarHBondContact O-N 2.79Å; L261-K264 CarbonylContact O-C 3.54Å; I262-K264 VanDerWaalsContact C-N 3.34Å; I262-K264 PolarHBondContact O-N 3.25Å; K264-Y301 HydrophobicContact CD-CE1 3.85Å; K264-Y301 HydrophobicContact CD-CE2 3.86Å; K264-Y301 WeakPolarHBondContact CD-OH 3.47Å; K264-Y301 VanDerWaalsContact NZ-CZ 3.28Å; K264-Y301 PolarHBondContact NZ-OH 3.48Å
265	P	90.4	Very high	93	Very high	86 Å²	86	38 Å²	38	56%	0.558	20%	0.196	S	C	*	.			trans	-66.9	153.9	171.5	30.5	-35.1	0	0	0	111.5	I161	I161-P265 CarbonylContact O-C 3.29Å; I161-P265 VanDerWaalsContact O-CA 3.27Å; I161-P265 WeakPolarHBondContact O-CA 3.22Å; I161-P265 WeakPolarHBondContact O-CB 3.35Å
266	I	92.6	Very high	92.8	Very high	26 Å²	26	42.4 Å²	42.4	13%	0.133	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.7	-178.3	-60.9	-60.1	0	0	0	108.6	K160 I161 F256 L261 F270	K160-I266 CarbonylContact C-O 3.45Å; K160-I266 WeakPolarHBondContact CA-O 3.36Å; I161-I266 HydrophobicContact CB-CB 4.17Å; I161-I266 HydrophobicContact CG1-CB 4.41Å; I161-I266 PolarHBondContact N-O 3.13Å; I161-I266 PolarHBondContact O-N 2.88Å; F256-I266 HydrophobicContact CD1-CG1 4.46Å; F256-I266 HydrophobicContact CE1-CD1 4.19Å; F256-I266 HydrophobicContact CE1-CG1 4.14Å; F256-I266 HydrophobicContact CZ-CG2 4.45Å; L261-I266 HydrophobicContact CD1-CG1 3.62Å; I266-F270 HydrophobicContact CD1-CZ 4.28Å; I266-F270 HydrophobicContact CG2-CD2 4.48Å; I266-F270 HydrophobicContact CG2-CE2 3.25Å; I266-F270 HydrophobicContact CG2-CZ 3.48Å; I266-F270 VanDerWaalsContact CG2-CZ 3.48Å
267	D	95	Very high	92.7	Very high	75 Å²	75	44 Å²	44	40%	0.401	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	69.7	173.5	-159.3	-3.4	0	0	0	109.7	Y158 K160	Y158-D267 VanDerWaalsContact CE1-OD1 3.25Å; Y158-D267 WeakPolarHBondContact CE1-OD1 3.23Å; Y158-D267 PolarHBondContact OH-OD1 3.4Å; K160-D267 WeakPolarHBondContact CD-OD2 3.21Å; K160-D267 WeakPolarHBondContact CE-OD2 3.31Å; K160-D267 HydrophobicContact CG-CB 4.3Å; K160-D267 IonicContact NZ-OD2 2.66Å; K160-D267 PolarHBondContact NZ-OD2 2.88Å
268	C	94.3	Very high	92.8	Very high	37 Å²	37	44 Å²	44	25%	0.25	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	177.6	-176.2	69.7	0	0	0	0	114.6	L159 F270	L159-C268 PolarHBondContact N-O 2.85Å; L159-C268 VanDerWaalsContact N-O 3.13Å; L159-C268 PolarHBondContact O-N 3.23Å; L159-C268 VanDerWaalsContact O-N 3.17Å; C268-F270 WeakPolarHBondContact SG-CE2 3.44Å; C268-F270 WeakPolarHBondContact SG-CZ 3.37Å
269	W	95.2	Very high	92.9	Very high	38 Å²	38	45.9 Å²	45.9	14%	0.144	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.8	173.4	-74.1	101.6	0	0	0	111.8	R156 I157 Y158 E174 R176 P284 C285	R156-W269 HydrophobicContact CB-CE3 3.94Å; R156-W269 HydrophobicContact CB-CZ3 4.46Å; R156-W269 VanDerWaalsContact CD-CE3 3.43Å; R156-W269 HydrophobicContact CG-CD2 4.35Å; R156-W269 HydrophobicContact CG-CE3 3.5Å; R156-W269 HydrophobicContact CG-CZ3 3.73Å; I157-W269 VanDerWaalsContact C-CE3 3.44Å; I157-W269 CarbonylContact O-C 3.1Å; I157-W269 WeakPolarHBondContact O-CA 3.46Å; Y158-W269 AromaticContact CD2-CD1 3.76Å; Y158-W269 AromaticContact CD2-CD2 3.9Å; Y158-W269 HydrophobicContact CD2-CD2 3.9Å; Y158-W269 AromaticContact CD2-CE2 3.62Å; Y158-W269 AromaticContact CD2-CG 4Å; Y158-W269 HydrophobicContact CD2-CG 4Å; Y158-W269 HydrophobicContact CD2-CZ2 4.1Å; Y158-W269 AromaticContact CD2-NE1 3.54Å; Y158-W269 HydrophobicContact CG-CD2 4.45Å; E174-W269 HydrophobicContact CG-CH2 3.69Å; E174-W269 HydrophobicContact CG-CZ2 4.17Å; E174-W269 WeakPolarHBondContact O-CZ3 3.41Å; E174-W269 WeakPolarHBondContact OE1-CH2 2.98Å; E174-W269 VanDerWaalsContact OE1-CZ2 3.26Å; E174-W269 WeakPolarHBondContact OE1-CZ2 3.09Å; R176-W269 HydrophobicContact CB-CH2 4.01Å; R176-W269 HydrophobicContact CB-CZ3 4.05Å; R176-W269 VanDerWaalsContact CD-CH2 3.44Å; R176-W269 HydrophobicContact CG-CH2 3.54Å; R176-W269 HydrophobicContact CG-CZ2 4.29Å; R176-W269 HydrophobicContact CG-CZ3 4.1Å; W269-P284 CarbonylContact O-C 3.54Å; W269-P284 WeakPolarHBondContact O-CA 3.46Å; W269-C285 HydrophobicContact CB-CB 3.85Å; W269-C285 PolarHBondContact O-N 2.73Å
270	F	95.9	Very high	93.1	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145.6	171.5	-68.4	-90.8	0	0	0	111.8	R156 I157 L159 L254 F256 I266 C268 I283 P284	R156-F270 CarbonylContact C-O 3.57Å; R156-F270 WeakPolarHBondContact CA-O 3.27Å; R156-F270 VanDerWaalsContact CB-O 3.28Å; R156-F270 WeakPolarHBondContact CB-O 3.5Å; I157-F270 HydrophobicContact CG2-CB 4.32Å; I157-F270 PolarHBondContact N-O 2.74Å; I157-F270 PolarHBondContact O-N 3.11Å; L159-F270 HydrophobicContact CB-CD2 4.46Å; L254-F270 HydrophobicContact CD1-CB 3.71Å; L254-F270 HydrophobicContact CD1-CD1 3.96Å; L254-F270 HydrophobicContact CD1-CD2 4.35Å; L254-F270 HydrophobicContact CD1-CG 3.73Å; L254-F270 HydrophobicContact CD2-CB 4.41Å; F256-F270 HydrophobicContact CE1-CD1 4.33Å; F256-F270 AromaticContact CE1-CE1 3.63Å; F256-F270 HydrophobicContact CE1-CE1 3.63Å; F256-F270 HydrophobicContact CE1-CE2 4.27Å; F256-F270 AromaticContact CE1-CZ 3.6Å; F256-F270 HydrophobicContact CE1-CZ 3.6Å; F256-F270 HydrophobicContact CZ-CD1 4.14Å; F256-F270 HydrophobicContact CZ-CD2 4.18Å; F256-F270 AromaticContact CZ-CE1 3.79Å; F256-F270 HydrophobicContact CZ-CE1 3.79Å; F256-F270 AromaticContact CZ-CE2 3.86Å; F256-F270 HydrophobicContact CZ-CE2 3.86Å; F256-F270 HydrophobicContact CZ-CG 4.32Å; F256-F270 AromaticContact CZ-CZ 3.65Å; F256-F270 HydrophobicContact CZ-CZ 3.65Å; I266-F270 HydrophobicContact CD1-CZ 4.28Å; I266-F270 HydrophobicContact CG2-CD2 4.48Å; I266-F270 HydrophobicContact CG2-CE2 3.25Å; I266-F270 HydrophobicContact CG2-CZ 3.48Å; I266-F270 VanDerWaalsContact CG2-CZ 3.48Å; C268-F270 WeakPolarHBondContact SG-CE2 3.44Å; C268-F270 WeakPolarHBondContact SG-CZ 3.37Å; F270-I283 CarbonylContact C-O 3.57Å; F270-I283 WeakPolarHBondContact CA-O 3.27Å; F270-P284 HydrophobicContact CD1-CG 4.35Å; F270-P284 HydrophobicContact CE1-CG 3.88Å
271	K	95.7	Very high	93.3	Very high	5 Å²	5	44.8 Å²	44.8	2%	0.022	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	137.1	169.7	-55.8	-170.9	-177.3	-169.1	0	109.4	D149 T151 E152 L273 I283 C285	D149-K271 PolarHBondContact O-NZ 3.07Å; D149-K271 IonicContact OD1-NZ 3.84Å; D149-K271 PolarHBondContact OD1-NZ 2.99Å; D149-K271 IonicContact OD2-NZ 4Å; D149-K271 PolarHBondContact OD2-NZ 2.94Å; T151-K271 PolarHBondContact O-NZ 3.24Å; E152-K271 HydrophobicContact CG-CD 4.13Å; E152-K271 HydrophobicContact CG-CG 3.98Å; K271-L273 HydrophobicContact CB-CD2 4.12Å; K271-I283 HydrophobicContact CB-CB 4.46Å; K271-I283 HydrophobicContact CD-CB 4.46Å; K271-I283 HydrophobicContact CD-CG2 3.96Å; K271-I283 HydrophobicContact CG-CG2 4.35Å; K271-I283 PolarHBondContact N-O 3.19Å; K271-C285 PolarHBondContact N-SG 2.88Å
272	L	97.9	Very high	93.4	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	23%	0.231	C	C	.	.			trans	-79.5	129.6	166.4	-69.3	172	0	0	0	109.3	R154 G155 I157 L178 V239 L254	R154-L272 HydrophobicContact CB-CB 3.86Å; R154-L272 WeakPolarHBondContact CB-O 3.41Å; G155-L272 PolarHBondContact O-N 3.29Å; I157-L272 HydrophobicContact CB-CD2 4.27Å; I157-L272 HydrophobicContact CG2-CD2 3.8Å; I157-L272 HydrophobicContact CG2-CG 4.3Å; L178-L272 HydrophobicContact CD2-CD1 3.33Å; V239-L272 HydrophobicContact CB-CD1 4.28Å; V239-L272 HydrophobicContact CB-CD2 4.39Å; V239-L272 HydrophobicContact CG2-CD1 3.89Å; V239-L272 HydrophobicContact CG2-CD2 3.53Å; V239-L272 HydrophobicContact CG2-CG 4.39Å; L254-L272 HydrophobicContact CD2-CD2 3.9Å
273	L	96.2	Very high	93.4	Very high	8 Å²	8	45 Å²	45	4%	0.042	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-108.3	171.8	-175.1	-50.6	178.1	0	0	0	111.2	R154 G252 A253 K271 E277 Y281 I283	R154-L273 VanDerWaalsContact CD-C 3.48Å; R154-L273 WeakPolarHBondContact CD-O 3.36Å; G252-L273 CarbonylContact C-O 3.6Å; G252-L273 WeakPolarHBondContact CA-O 3.45Å; A253-L273 PolarHBondContact N-O 3.38Å; A253-L273 WeakPolarHBondContact O-CA 3.28Å; A253-L273 VanDerWaalsContact O-CB 3.29Å; A253-L273 WeakPolarHBondContact O-CB 3.4Å; A253-L273 PolarHBondContact O-N 2.88Å; K271-L273 HydrophobicContact CB-CD2 4.12Å; L273-E277 HydrophobicContact CB-CB 3.84Å; L273-E277 HydrophobicContact CD1-CB 4.09Å; L273-Y281 WeakPolarHBondContact CD1-O 3.49Å; L273-I283 HydrophobicContact CD1-CD1 3.91Å; L273-I283 HydrophobicContact CD1-CG1 4.01Å; L273-I283 HydrophobicContact CD2-CD1 3.86Å; L273-I283 HydrophobicContact CD2-CG1 4.38Å
274	S	94.8	Very high	93.5	Very high	35 Å²	35	41.6 Å²	41.6	25%	0.245	22%	0.217	C	C	.	.			trans	-59.8	165.5	168.7	66	0	0	0	0	110.7	E276 E277 G278	S274-E276 VanDerWaalsContact C-N 3.31Å; S274-E276 PolarHBondContact O-N 2.8Å; S274-E277 PolarHBondContact O-N 3.18Å; S274-E277 WeakPolarHBondContact OG-CB 3.24Å; S274-E277 PolarHBondContact OG-N 3.24Å; S274-G278 WeakPolarHBondContact O-CA 3.22Å; S274-G278 PolarHBondContact O-N 3.44Å
275	Q	93.1	Very high	93.7	Very high	102 Å²	102	38.3 Å²	38.3	48%	0.477	20%	0.204	S	C	.	.	H	α-helix	trans	-58.7	-45.8	178.5	-171.8	173.3	5.4	0	0	111.3	F250 G278 E279	F250-Q275 HydrophobicContact CD1-CB 4.39Å; F250-Q275 HydrophobicContact CE1-CB 3.88Å; F250-Q275 HydrophobicContact CE2-CB 4.24Å; F250-Q275 HydrophobicContact CE2-CG 4.39Å; F250-Q275 VanDerWaalsContact CZ-CA 3.49Å; F250-Q275 HydrophobicContact CZ-CB 3.78Å; F250-Q275 HydrophobicContact CZ-CG 4.38Å; Q275-G278 PolarHBondContact O-N 3.48Å; Q275-E279 WeakPolarHBondContact O-CG 3.3Å; Q275-E279 PolarHBondContact O-N 3.33Å; Q275-E279 VanDerWaalsContact O-N 3.12Å
276	E	91.9	Very high	92.9	Very high	91 Å²	91	35.8 Å²	35.8	43%	0.425	19%	0.187	S	C	.	.	H	α-helix	trans	-65	-50	178.2	-175	178.8	-177.3	0	0	112.4	S274 G278 E279 Y280	S274-E276 VanDerWaalsContact C-N 3.31Å; S274-E276 PolarHBondContact O-N 2.8Å; E276-G278 VanDerWaalsContact C-N 3.31Å; E276-G278 PolarHBondContact O-N 3.23Å; E276-E279 WeakPolarHBondContact O-CB 3.27Å; E276-E279 PolarHBondContact O-N 2.94Å; E276-Y280 VanDerWaalsContact O-CD2 3.22Å; E276-Y280 WeakPolarHBondContact O-CD2 3.48Å
277	E	93.2	Very high	91.2	Very high	40 Å²	40	36.2 Å²	36.2	19%	0.187	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-36.6	177.7	-76.8	-177.6	126.5	0	0	111.7	L273 S274 E279 Y280 Y281 R592 R593	L273-E277 HydrophobicContact CB-CB 3.84Å; L273-E277 HydrophobicContact CD1-CB 4.09Å; S274-E277 PolarHBondContact O-N 3.18Å; S274-E277 WeakPolarHBondContact OG-CB 3.24Å; S274-E277 PolarHBondContact OG-N 3.24Å; E277-E279 PolarHBondContact O-N 3.38Å; E277-Y280 PolarHBondContact O-N 2.97Å; E277-Y280 VanDerWaalsContact O-N 3.12Å; E277-Y281 HydrophobicContact CB-CD2 4.07Å; E277-Y281 HydrophobicContact CG-CD2 4.3Å; E277-Y281 WeakPolarHBondContact O-CB 3.45Å; E277-Y281 WeakPolarHBondContact O-CD2 3.32Å; E277-Y281 PolarHBondContact O-N 3.47Å; E277-R592 IonicContact OE1-NH2 3.01Å; E277-R592 PolarHBondContact OE1-NH2 3.49Å; E277-R593 IonicContact OE1-CZ 2.76Å; E277-R593 IonicContact OE1-NE 2.82Å; E277-R593 IonicContact OE1-NH2 2.8Å; E277-R593 PolarHBondContact OE1-NH2 2.87Å; E277-R593 VanDerWaalsContact OE1-NH2 3.17Å
278	G	95.1	Very high	88.9	Confident	1 Å²	1	39 Å²	39	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-69.9	-17.2	-179.6	0	0	0	0	0	113.8	L254 S255 S274 Q275 E276 Y280	L254-G278 CarbonylContact C-O 3.46Å; L254-G278 WeakPolarHBondContact CA-O 3.47Å; S255-G278 VanDerWaalsContact CB-O 3.31Å; S255-G278 WeakPolarHBondContact CB-O 3.47Å; S255-G278 PolarHBondContact N-O 3.07Å; S255-G278 VanDerWaalsContact N-O 3.16Å; S255-G278 PolarHBondContact OG-O 3.33Å; S255-G278 VanDerWaalsContact OG-O 3.07Å; S274-G278 WeakPolarHBondContact O-CA 3.22Å; S274-G278 PolarHBondContact O-N 3.44Å; Q275-G278 PolarHBondContact O-N 3.48Å; E276-G278 VanDerWaalsContact C-N 3.31Å; E276-G278 PolarHBondContact O-N 3.23Å; G278-Y280 VanDerWaalsContact C-N 3.25Å; G278-Y280 PolarHBondContact O-N 2.57Å
279	E	93.6	Very high	86.6	Confident	39 Å²	39	42.2 Å²	42.2	18%	0.182	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.2	169.8	-79.5	172.8	-162.3	0	0	112.8	R234 H236 S255 Q275 E276 E277 K430	R234-E279 WeakPolarHBondContact CD-O 3.45Å; H236-E279 PolarHBondContact CE1-O 3.25Å; S255-E279 PolarHBondContact OG-O 3.18Å; Q275-E279 WeakPolarHBondContact O-CG 3.3Å; Q275-E279 PolarHBondContact O-N 3.33Å; Q275-E279 VanDerWaalsContact O-N 3.12Å; E276-E279 WeakPolarHBondContact O-CB 3.27Å; E276-E279 PolarHBondContact O-N 2.94Å; E277-E279 PolarHBondContact O-N 3.38Å; E279-K430 IonicContact OE1-NZ 2.85Å; E279-K430 IonicContact OE2-NZ 3.18Å; E279-K430 PolarHBondContact OE2-NZ 2.83Å
280	Y	93.4	Very high	83.9	Confident	44 Å²	44	44.1 Å²	44.1	17%	0.173	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-22	-170.9	-55.2	-86.7	0	0	0	114.2	R234 S255 E276 E277 G278 K430 P432 I433 P607	R234-Y280 PolarHBondContact NH2-O 3.19Å; S255-Y280 PolarHBondContact OG-N 2.97Å; E276-Y280 VanDerWaalsContact O-CD2 3.22Å; E276-Y280 WeakPolarHBondContact O-CD2 3.48Å; E277-Y280 PolarHBondContact O-N 2.97Å; E277-Y280 VanDerWaalsContact O-N 3.12Å; G278-Y280 VanDerWaalsContact C-N 3.25Å; G278-Y280 PolarHBondContact O-N 2.57Å; Y280-K430 HydrophobicContact CE2-CD 4.24Å; Y280-K430 WeakPolarHBondContact OH-CD 3.43Å; Y280-P432 HydrophobicContact CD1-CB 4.17Å; Y280-P432 HydrophobicContact CD2-CB 3.45Å; Y280-P432 VanDerWaalsContact CD2-CB 3.45Å; Y280-P432 HydrophobicContact CD2-CG 3.61Å; Y280-P432 HydrophobicContact CE2-CB 4.12Å; Y280-P432 HydrophobicContact CE2-CG 4.16Å; Y280-P432 HydrophobicContact CG-CB 3.51Å; Y280-P432 HydrophobicContact CG-CG 4.18Å; Y280-I433 HydrophobicContact CE1-CD1 4.17Å; Y280-I433 HydrophobicContact CE1-CG1 3.76Å; Y280-P607 HydrophobicContact CD1-CB 4.35Å; Y280-P607 HydrophobicContact CE1-CB 4.18Å
281	Y	94.1	Very high	81.3	Confident	34 Å²	34	48.6 Å²	48.6	13%	0.133	27%	0.265	C	S	.	.			trans	-122.5	145.4	-169.1	-54.9	-53.6	0	0	0	113.2	L254 S255 L273 E277 P432 R593	L254-Y281 WeakPolarHBondContact CA-O 3.5Å; L254-Y281 WeakPolarHBondContact CB-O 3.45Å; S255-Y281 PolarHBondContact N-O 2.94Å; S255-Y281 CarbonylContact O-C 3.53Å; L273-Y281 WeakPolarHBondContact CD1-O 3.49Å; E277-Y281 HydrophobicContact CB-CD2 4.07Å; E277-Y281 HydrophobicContact CG-CD2 4.3Å; E277-Y281 WeakPolarHBondContact O-CB 3.45Å; E277-Y281 WeakPolarHBondContact O-CD2 3.32Å; E277-Y281 PolarHBondContact O-N 3.47Å; Y281-P432 HydrophobicContact CE2-CB 3.86Å; Y281-P432 HydrophobicContact CE2-CG 3.84Å; Y281-P432 VanDerWaalsContact OH-CA 3.26Å; Y281-P432 WeakPolarHBondContact OH-CA 3.06Å; Y281-P432 WeakPolarHBondContact OH-CB 3.34Å; Y281-R593 HydrophobicContact CD1-CB 4.17Å; Y281-R593 HydrophobicContact CD2-CG 4.25Å; Y281-R593 HydrophobicContact CE1-CB 3.88Å; Y281-R593 HydrophobicContact CE2-CB 4.28Å; Y281-R593 HydrophobicContact CE2-CG 4.03Å
282	S	93.6	Very high	78.4	Confident	31 Å²	31	49.3 Å²	49.3	22%	0.217	27%	0.27	C	S	.	.			trans	-125.7	111.7	165.5	56.4	0	0	0	0	108.8	S255 F256	S255-S282 WeakPolarHBondContact O-CB 3.47Å; F256-S282 WeakPolarHBondContact CD1-OG 3.28Å; F256-S282 WeakPolarHBondContact CE1-OG 3.44Å
283	I	91.7	Very high	75.6	Confident	29 Å²	29	52.4 Å²	52.4	15%	0.149	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	111.4	-171.9	-54.8	-178.1	0	0	0	109.5	F270 K271 L273 R593	F270-I283 CarbonylContact C-O 3.57Å; F270-I283 WeakPolarHBondContact CA-O 3.27Å; K271-I283 HydrophobicContact CB-CB 4.46Å; K271-I283 HydrophobicContact CD-CB 4.46Å; K271-I283 HydrophobicContact CD-CG2 3.96Å; K271-I283 HydrophobicContact CG-CG2 4.35Å; K271-I283 PolarHBondContact N-O 3.19Å; L273-I283 HydrophobicContact CD1-CD1 3.91Å; L273-I283 HydrophobicContact CD1-CG1 4.01Å; L273-I283 HydrophobicContact CD2-CD1 3.86Å; L273-I283 HydrophobicContact CD2-CG1 4.38Å; I283-R593 VanDerWaalsContact CD1-CD 3.49Å; I283-R593 VanDerWaalsContact CD1-NE 3.31Å
284	P	91.1	Very high	73.1	Confident	62 Å²	62	58.1 Å²	58.1	40%	0.403	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	144.9	173.1	-25.2	34.8	0	0	0	111.9	W269 F270	W269-P284 CarbonylContact O-C 3.54Å; W269-P284 WeakPolarHBondContact O-CA 3.46Å; F270-P284 HydrophobicContact CD1-CG 4.35Å; F270-P284 HydrophobicContact CE1-CG 3.88Å
285	C	88.5	Confident	70.4	Confident	12 Å²	12	58.9 Å²	58.9	8%	0.081	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-72.4	147.5	171.8	-63.6	0	0	0	0	110.6	R156 W269 K271	R156-C285 VanDerWaalsContact CB-SG 3.58Å; W269-C285 HydrophobicContact CB-CB 3.85Å; W269-C285 PolarHBondContact O-N 2.73Å; K271-C285 PolarHBondContact N-SG 2.88Å
286	T	74.8	Confident	67.9	Low	34 Å²	34	58.8 Å²	58.8	21%	0.209	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-76.2	135.9	169.1	51	0	0	0	0	109.7	A79	A79-T286 WeakPolarHBondContact CB-OG1 3.42Å
287	T	57	Low	65.6	Low	35 Å²	35	57.5 Å²	57.5	22%	0.215	32%	0.315	C	S	.	.			trans	-134.4	165.1	179.4	68.4	0	0	0	0	112.1	S289 N290 T291	T287-S289 VanDerWaalsContact C-N 3.32Å; T287-S289 PolarHBondContact O-N 2.9Å; T287-N290 CarbonylContact O-C 3.57Å; T287-N290 PolarHBondContact O-N 3.25Å; T287-N290 VanDerWaalsContact OG1-CB 3.24Å; T287-N290 WeakPolarHBondContact OG1-CB 3.5Å; T287-N290 PolarHBondContact OG1-N 3.25Å; T287-T291 PolarHBondContact O-N 3.13Å
288	E	46.2	Very low	63.4	Low	133 Å²	133	56.1 Å²	56.1	62%	0.621	31%	0.311	S	S	*	.	S	Bend	trans	-63.1	-33	179.9	-66.7	176.8	-170.1	0	0	113.7	N31	N31-E288 PolarHBondContact ND2-OE1 3.46Å; N31-E288 PolarHBondContact OD1-OE1 2.76Å
289	S	45.4	Very low	60.9	Low	105 Å²	105	58.2 Å²	58.2	73%	0.734	33%	0.325	S	S	*	.	S	Bend	trans	-90.2	-19.4	175.1	60	0	0	0	0	113	T287	T287-S289 VanDerWaalsContact C-N 3.32Å; T287-S289 PolarHBondContact O-N 2.9Å
290	N	39.1	Very low	58.6	Low	77 Å²	77	63.2 Å²	63.2	41%	0.412	35%	0.348	S	S	.	.			trans	-113.3	49.2	173.5	-61.7	0.7	0	0	0	111.1	T287 P292 I297	T287-N290 CarbonylContact O-C 3.57Å; T287-N290 PolarHBondContact O-N 3.25Å; T287-N290 VanDerWaalsContact OG1-CB 3.24Å; T287-N290 WeakPolarHBondContact OG1-CB 3.5Å; T287-N290 PolarHBondContact OG1-N 3.25Å; N290-P292 WeakPolarHBondContact O-CD 3.48Å; N290-I297 HydrophobicContact CB-CD1 4.36Å
291	T	41.1	Very low	56.3	Low	98 Å²	98	64 Å²	64	60%	0.601	35%	0.352	S	S	*	.			trans	-96.1	66.9	142.6	46.5	0	0	0	0	110.1	T287	T287-T291 PolarHBondContact O-N 3.13Å
292	P	34.9	Very low	54.1	Low	20 Å²	20	64.4 Å²	64.4	13%	0.13	36%	0.355	C	S	.	.	S	Bend		-65.6	143.7	122.2	35.1	-29.5	0	0	0	106.9	N290 Y294 E296 I297	N290-P292 WeakPolarHBondContact O-CD 3.48Å; P292-Y294 PolarHBondContact O-N 2.79Å; P292-E296 HydrophobicContact CB-CB 3.13Å; P292-E296 VanDerWaalsContact CB-CD 3.44Å; P292-E296 HydrophobicContact CB-CG 3.34Å; P292-E296 WeakPolarHBondContact CB-OE2 3.41Å; P292-E296 HydrophobicContact CG-CB 4.09Å; P292-I297 HydrophobicContact CG-CB 4.47Å; P292-I297 HydrophobicContact CG-CD1 4.26Å; P292-I297 HydrophobicContact CG-CG1 3.71Å
293	P	38.5	Very low	51.9	Low	70 Å²	70	66.8 Å²	66.8	46%	0.455	37%	0.371	S	S	.	.			trans	-45.3	151	156	-14.4	25.3	0	0	0	106.7	A295 E296	P293-A295 HydrophobicContact CB-CB 4.04Å; P293-A295 CarbonylContact O-C 3.54Å; P293-A295 WeakPolarHBondContact O-CA 3.42Å; P293-A295 PolarHBondContact O-N 3.41Å; P293-E296 PolarHBondContact O-N 2.86Å
294	Y	43.4	Very low	49.7	Very low	129 Å²	129	72.5 Å²	72.5	51%	0.506	40%	0.397	S	S	.	.	H	α-helix	trans	-34.6	-30.2	170	-179.3	-98.2	0	0	0	114	P292 E296 S298 D595	P292-Y294 PolarHBondContact O-N 2.79Å; Y294-E296 PolarHBondContact O-N 3.18Å; Y294-S298 WeakPolarHBondContact O-CB 3.02Å; Y294-S298 PolarHBondContact O-N 2.94Å; Y294-D595 WeakPolarHBondContact OH-CB 3.43Å
295	A	38.4	Very low	47.5	Very low	50 Å²	50	73.1 Å²	73.1	41%	0.413	39%	0.394	S	S	.	.	H	α-helix	trans	-52.2	-28.4	165.3	0	0	0	0	0	119.8	P293 S298 S299	P293-A295 HydrophobicContact CB-CB 4.04Å; P293-A295 CarbonylContact O-C 3.54Å; P293-A295 WeakPolarHBondContact O-CA 3.42Å; P293-A295 PolarHBondContact O-N 3.41Å; A295-S298 CarbonylContact O-C 3.59Å; A295-S298 WeakPolarHBondContact O-CB 3.36Å; A295-S299 WeakPolarHBondContact O-CA 3.49Å; A295-S299 WeakPolarHBondContact O-CB 3.49Å; A295-S299 PolarHBondContact O-N 3.4Å
296	E	40.6	Very low	45.4	Very low	101 Å²	101	76.9 Å²	76.9	47%	0.472	41%	0.409	S	S	.	.	H	α-helix	trans	-105.2	-18.8	178	-20.2	158.7	172.3	0	0	115.1	P292 P293 Y294 S299 E300	P292-E296 HydrophobicContact CB-CB 3.13Å; P292-E296 VanDerWaalsContact CB-CD 3.44Å; P292-E296 HydrophobicContact CB-CG 3.34Å; P292-E296 WeakPolarHBondContact CB-OE2 3.41Å; P292-E296 HydrophobicContact CG-CB 4.09Å; P293-E296 PolarHBondContact O-N 2.86Å; Y294-E296 PolarHBondContact O-N 3.18Å; E296-S299 WeakPolarHBondContact CA-OG 3.27Å; E296-S299 VanDerWaalsContact CB-OG 3.25Å; E296-S299 WeakPolarHBondContact CB-OG 3.27Å; E296-S299 PolarHBondContact O-N 2.76Å; E296-E300 WeakPolarHBondContact O-CB 3.07Å; E296-E300 PolarHBondContact O-N 3.26Å
297	I	43.9	Very low	44	Very low	63 Å²	63	77.9 Å²	77.9	32%	0.323	42%	0.421	S	S	.	.	H	α-helix	trans	-65.9	-39.9	154.6	-71.6	164.1	0	0	0	107.9	N290 P292 Y301	N290-I297 HydrophobicContact CB-CD1 4.36Å; P292-I297 HydrophobicContact CG-CB 4.47Å; P292-I297 HydrophobicContact CG-CD1 4.26Å; P292-I297 HydrophobicContact CG-CG1 3.71Å; I297-Y301 HydrophobicContact CG2-CD2 4.3Å; I297-Y301 HydrophobicContact CG2-CE2 4.46Å; I297-Y301 WeakPolarHBondContact O-CB 3.15Å; I297-Y301 VanDerWaalsContact O-CD2 3.25Å; I297-Y301 WeakPolarHBondContact O-CD2 3.43Å; I297-Y301 PolarHBondContact O-N 3.26Å
298	S	46.3	Very low	43.3	Very low	12 Å²	12	81.6 Å²	81.6	8%	0.084	44%	0.439	C	S	.	.	H	α-helix	trans	-60.3	-43.3	166.2	-165.7	0	0	0	0	110.8	Y294 A295 Y301 E302	Y294-S298 WeakPolarHBondContact O-CB 3.02Å; Y294-S298 PolarHBondContact O-N 2.94Å; A295-S298 CarbonylContact O-C 3.59Å; A295-S298 WeakPolarHBondContact O-CB 3.36Å; S298-Y301 CarbonylContact O-C 3.49Å; S298-Y301 WeakPolarHBondContact O-CA 3.38Å; S298-Y301 WeakPolarHBondContact O-CB 3.45Å; S298-Y301 PolarHBondContact O-N 3.47Å; S298-E302 WeakPolarHBondContact CB-OE1 3.45Å; S298-E302 WeakPolarHBondContact O-CB 3.47Å; S298-E302 WeakPolarHBondContact O-CG 3.14Å; S298-E302 PolarHBondContact O-N 2.81Å; S298-E302 PolarHBondContact OG-OE1 3.27Å
299	S	43.1	Very low	43.2	Very low	45 Å²	45	79.6 Å²	79.6	32%	0.315	43%	0.431	S	S	.	.	H	α-helix	trans	-78.1	-30.3	-175.2	83.7	0	0	0	0	116	A295 E296 Y301 E302 S303	A295-S299 WeakPolarHBondContact O-CA 3.49Å; A295-S299 WeakPolarHBondContact O-CB 3.49Å; A295-S299 PolarHBondContact O-N 3.4Å; E296-S299 WeakPolarHBondContact CA-OG 3.27Å; E296-S299 VanDerWaalsContact CB-OG 3.25Å; E296-S299 WeakPolarHBondContact CB-OG 3.27Å; E296-S299 PolarHBondContact O-N 2.76Å; S299-Y301 VanDerWaalsContact C-N 3.29Å; S299-E302 PolarHBondContact O-N 2.88Å; S299-S303 VanDerWaalsContact O-CB 3.26Å; S299-S303 WeakPolarHBondContact O-CB 3.46Å; S299-S303 PolarHBondContact O-N 2.85Å; S299-S303 PolarHBondContact O-OG 2.77Å
300	E	45.7	Very low	43.1	Very low	144 Å²	144	82.7 Å²	82.7	67%	0.673	43%	0.428	S	S	*	.	H	α-helix	trans	-66.2	-37.7	167.4	-77.2	-176.6	164.3	0	0	109.6	E296 S303 Q304	E296-E300 WeakPolarHBondContact O-CB 3.07Å; E296-E300 PolarHBondContact O-N 3.26Å; E300-S303 PolarHBondContact O-OG 2.93Å; E300-Q304 PolarHBondContact O-N 3.46Å
301	Y	46	Very low	43	Very low	61 Å²	61	82.1 Å²	82.1	24%	0.239	43%	0.43	C	S	.	.	H	α-helix	trans	-61	-45.3	164.9	-103.2	-92.8	0	0	0	112.8	K264 I297 S298 S299 F305	K264-Y301 HydrophobicContact CD-CE1 3.85Å; K264-Y301 HydrophobicContact CD-CE2 3.86Å; K264-Y301 WeakPolarHBondContact CD-OH 3.47Å; K264-Y301 VanDerWaalsContact NZ-CZ 3.28Å; K264-Y301 PolarHBondContact NZ-OH 3.48Å; I297-Y301 HydrophobicContact CG2-CD2 4.3Å; I297-Y301 HydrophobicContact CG2-CE2 4.46Å; I297-Y301 WeakPolarHBondContact O-CB 3.15Å; I297-Y301 VanDerWaalsContact O-CD2 3.25Å; I297-Y301 WeakPolarHBondContact O-CD2 3.43Å; I297-Y301 PolarHBondContact O-N 3.26Å; S298-Y301 CarbonylContact O-C 3.49Å; S298-Y301 WeakPolarHBondContact O-CA 3.38Å; S298-Y301 WeakPolarHBondContact O-CB 3.45Å; S298-Y301 PolarHBondContact O-N 3.47Å; S299-Y301 VanDerWaalsContact C-N 3.29Å; Y301-F305 HydrophobicContact CD1-CD2 4.43Å; Y301-F305 VanDerWaalsContact O-CB 3.3Å; Y301-F305 WeakPolarHBondContact O-CB 3.45Å; Y301-F305 PolarHBondContact O-N 3.3Å
302	E	47.5	Very low	42.8	Very low	42 Å²	42	82.4 Å²	82.4	20%	0.196	43%	0.428	C	S	.	.	H	α-helix	trans	-76.7	-33.8	-173.3	-71.4	162.4	-134.7	0	0	110.9	S298 S299 Q304 K306	S298-E302 WeakPolarHBondContact CB-OE1 3.45Å; S298-E302 WeakPolarHBondContact O-CB 3.47Å; S298-E302 WeakPolarHBondContact O-CG 3.14Å; S298-E302 PolarHBondContact O-N 2.81Å; S298-E302 PolarHBondContact OG-OE1 3.27Å; S299-E302 PolarHBondContact O-N 2.88Å; E302-Q304 VanDerWaalsContact C-N 3.34Å; E302-K306 HydrophobicContact CB-CD 4.15Å; E302-K306 HydrophobicContact CB-CG 4.33Å; E302-K306 VanDerWaalsContact O-CA 3.29Å; E302-K306 WeakPolarHBondContact O-CA 3.2Å; E302-K306 WeakPolarHBondContact O-CB 3.38Å; E302-K306 WeakPolarHBondContact O-CG 3.37Å; E302-K306 PolarHBondContact O-N 3.28Å; E302-K306 IonicContact OE2-NZ 3.12Å; E302-K306 PolarHBondContact OE2-NZ 3.06Å
303	S	47.2	Very low	42.8	Very low	81 Å²	81	88.3 Å²	88.3	57%	0.566	46%	0.459	S	S	*	.	H	α-helix	trans	-70.2	-35.5	179.2	54.5	0	0	0	0	111.3	S299 E300 A307	S299-S303 VanDerWaalsContact O-CB 3.26Å; S299-S303 WeakPolarHBondContact O-CB 3.46Å; S299-S303 PolarHBondContact O-N 2.85Å; S299-S303 PolarHBondContact O-OG 2.77Å; E300-S303 PolarHBondContact O-OG 2.93Å; S303-A307 WeakPolarHBondContact O-CB 3.39Å; S303-A307 PolarHBondContact O-N 3.17Å
304	Q	45.3	Very low	42.8	Very low	148 Å²	148	90.4 Å²	90.4	69%	0.692	47%	0.466	S	S	*	.	H	α-helix	trans	-78.3	-36.9	176.2	-150.8	163.1	19.7	0	0	111.7	E300 E302 A307	E300-Q304 PolarHBondContact O-N 3.46Å; E302-Q304 VanDerWaalsContact C-N 3.34Å; Q304-A307 WeakPolarHBondContact O-CB 3.36Å
305	F	45.3	Very low	42.3	Very low	76 Å²	76	91.6 Å²	91.6	33%	0.333	48%	0.476	S	S	.	.	H	α-helix	trans	-85.6	-30.6	177.2	-92.8	-92.2	0	0	0	115.2	Y301 A307 D308 I309 L603	Y301-F305 HydrophobicContact CD1-CD2 4.43Å; Y301-F305 VanDerWaalsContact O-CB 3.3Å; Y301-F305 WeakPolarHBondContact O-CB 3.45Å; Y301-F305 PolarHBondContact O-N 3.3Å; F305-A307 PolarHBondContact O-N 2.83Å; F305-D308 PolarHBondContact O-N 3.49Å; F305-I309 WeakPolarHBondContact O-CG1 3.31Å; F305-I309 PolarHBondContact O-N 3.19Å; F305-L603 HydrophobicContact CE1-CD1 4.42Å
306	K	43.5	Very low	42	Very low	91 Å²	91	96.2 Å²	96.2	40%	0.396	49%	0.494	S	S	.	.	H	α-helix	trans	-66.5	-27.9	168.5	-70.6	177.5	173.1	154.4	0	109.5	E302 D308 I309 Y310	E302-K306 HydrophobicContact CB-CD 4.15Å; E302-K306 HydrophobicContact CB-CG 4.33Å; E302-K306 VanDerWaalsContact O-CA 3.29Å; E302-K306 WeakPolarHBondContact O-CA 3.2Å; E302-K306 WeakPolarHBondContact O-CB 3.38Å; E302-K306 WeakPolarHBondContact O-CG 3.37Å; E302-K306 PolarHBondContact O-N 3.28Å; E302-K306 IonicContact OE2-NZ 3.12Å; E302-K306 PolarHBondContact OE2-NZ 3.06Å; K306-D308 VanDerWaalsContact C-N 3.26Å; K306-D308 PolarHBondContact O-N 2.93Å; K306-I309 PolarHBondContact O-N 3.17Å; K306-Y310 HydrophobicContact CB-CD2 3.6Å; K306-Y310 HydrophobicContact CB-CE2 3.95Å; K306-Y310 HydrophobicContact CD-CE2 4.14Å; K306-Y310 HydrophobicContact CG-CD2 3.93Å; K306-Y310 HydrophobicContact CG-CE2 3.72Å; K306-Y310 WeakPolarHBondContact O-CA 3.38Å; K306-Y310 WeakPolarHBondContact O-CB 3.42Å; K306-Y310 VanDerWaalsContact O-CD2 3.28Å; K306-Y310 WeakPolarHBondContact O-CD2 3.42Å; K306-Y310 PolarHBondContact O-N 3.01Å
307	A	45.3	Very low	41.9	Very low	55 Å²	55	97.8 Å²	97.8	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-60.9	-37.4	167.9	0	0	0	0	0	111.3	S303 Q304 F305 S311	S303-A307 WeakPolarHBondContact O-CB 3.39Å; S303-A307 PolarHBondContact O-N 3.17Å; Q304-A307 WeakPolarHBondContact O-CB 3.36Å; F305-A307 PolarHBondContact O-N 2.83Å; A307-S311 VanDerWaalsContact O-CA 3.32Å; A307-S311 WeakPolarHBondContact O-CA 3.18Å; A307-S311 WeakPolarHBondContact O-CB 3.49Å; A307-S311 PolarHBondContact O-N 3.1Å; A307-S311 PolarHBondContact O-OG 3.21Å
308	D	42	Very low	41.4	Very low	113 Å²	113	103.3 Å²	103.3	60%	0.604	53%	0.529	S	S	*	.	H	α-helix	trans	-80.4	-25.7	178.2	-63.3	-25.6	0	0	0	114	F305 K306 S311	F305-D308 PolarHBondContact O-N 3.49Å; K306-D308 VanDerWaalsContact C-N 3.26Å; K306-D308 PolarHBondContact O-N 2.93Å; D308-S311 PolarHBondContact O-OG 2.92Å
309	I	44.9	Very low	40.6	Very low	90 Å²	90	110.1 Å²	110.1	46%	0.462	57%	0.565	S	S	.	*	H	α-helix	trans	-89.6	-33	178.9	-64.9	164.9	0	0	0	111.9	F305 K306 L601	F305-I309 WeakPolarHBondContact O-CG1 3.31Å; F305-I309 PolarHBondContact O-N 3.19Å; K306-I309 PolarHBondContact O-N 3.17Å; I309-L601 HydrophobicContact CD1-CD1 3.59Å; I309-L601 HydrophobicContact CD1-CD2 3.51Å; I309-L601 HydrophobicContact CD1-CG 4.2Å
310	Y	43.7	Very low	39.9	Very low	171 Å²	171	113.5 Å²	113.5	67%	0.671	59%	0.587	S	S	*	*	H	α-helix	trans	-105.2	2.4	178.6	-61.1	-94	0	0	0	112.7	K306 D312	K306-Y310 HydrophobicContact CB-CD2 3.6Å; K306-Y310 HydrophobicContact CB-CE2 3.95Å; K306-Y310 HydrophobicContact CD-CE2 4.14Å; K306-Y310 HydrophobicContact CG-CD2 3.93Å; K306-Y310 HydrophobicContact CG-CE2 3.72Å; K306-Y310 WeakPolarHBondContact O-CA 3.38Å; K306-Y310 WeakPolarHBondContact O-CB 3.42Å; K306-Y310 VanDerWaalsContact O-CD2 3.28Å; K306-Y310 WeakPolarHBondContact O-CD2 3.42Å; K306-Y310 PolarHBondContact O-N 3.01Å; Y310-D312 VanDerWaalsContact C-N 3.26Å; Y310-D312 PolarHBondContact O-N 3.4Å
311	S	37.3	Very low	39.3	Very low	65 Å²	65	111.3 Å²	111.3	46%	0.455	59%	0.586	S	S	.	*			trans	-65.1	98.5	159.7	53.3	0	0	0	0	107.3	A307 D308 D313	A307-S311 VanDerWaalsContact O-CA 3.32Å; A307-S311 WeakPolarHBondContact O-CA 3.18Å; A307-S311 WeakPolarHBondContact O-CB 3.49Å; A307-S311 PolarHBondContact O-N 3.1Å; A307-S311 PolarHBondContact O-OG 3.21Å; D308-S311 PolarHBondContact O-OG 2.92Å; S311-D313 VanDerWaalsContact C-N 3.26Å; S311-D313 PolarHBondContact O-N 3.35Å
312	D	35.2	Very low	38.8	Very low	104 Å²	104	114.9 Å²	114.9	56%	0.556	61%	0.614	S	S	*	*			trans	-66.8	81	175.4	-168.6	9.1	0	0	0	110.2	Y310 N314	Y310-D312 VanDerWaalsContact C-N 3.26Å; Y310-D312 PolarHBondContact O-N 3.4Å; D312-N314 VanDerWaalsContact C-N 3.29Å; D312-N314 PolarHBondContact OD1-N 3.29Å
313	D	36	Very low	38.2	Very low	143 Å²	143	121.5 Å²	121.5	77%	0.765	64%	0.642	S	S	*	*			trans	-98.1	26.1	159.7	-87.3	-21.1	0	0	0	110.9	S311	S311-D313 VanDerWaalsContact C-N 3.26Å; S311-D313 PolarHBondContact O-N 3.35Å
314	N	37.5	Very low	37.8	Very low	115 Å²	115	125.6 Å²	125.6	62%	0.615	66%	0.657	S	S	*	*			trans	-103.1	2.7	174.5	-98.4	-33.4	0	0	0	114.4	D312 N316 L317	D312-N314 VanDerWaalsContact C-N 3.29Å; D312-N314 PolarHBondContact OD1-N 3.29Å; N314-N316 PolarHBondContact O-N 3.03Å; N314-N316 VanDerWaalsContact O-N 3.11Å; N314-L317 PolarHBondContact O-N 3.49Å
315	E	34.4	Very low	38.2	Very low	154 Å²	154	126 Å²	126	72%	0.72	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-62.5	-13.4	167.8	-74.7	-157.7	147.6	0	0	113.2
316	N	32.3	Very low	39	Very low	147 Å²	147	129.6 Å²	129.6	79%	0.786	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-91.3	1.6	177.7	-77.2	-41.8	0	0	0	116	N314	N314-N316 PolarHBondContact O-N 3.03Å; N314-N316 VanDerWaalsContact O-N 3.11Å
317	L	37.3	Very low	40.5	Very low	133 Å²	133	130.3 Å²	130.3	70%	0.696	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-87	-5.4	173.3	-113.1	88	0	0	0	114.8	N314 N319	N314-L317 PolarHBondContact O-N 3.49Å; L317-N319 VanDerWaalsContact C-N 3.33Å; L317-N319 PolarHBondContact O-N 3.4Å
318	Q	32.8	Very low	42.4	Very low	180 Å²	180	129 Å²	129	84%	0.841	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-82.1	1.4	-178.7	-84.7	-171.6	-3.7	0	0	115.8
319	N	30.1	Very low	44.6	Very low	155 Å²	155	131 Å²	131	83%	0.829	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-127	38.3	-177.8	-86.6	-24.5	0	0	0	115.1	L317 P321	L317-N319 VanDerWaalsContact C-N 3.33Å; L317-N319 PolarHBondContact O-N 3.4Å; N319-P321 VanDerWaalsContact O-CD 3.27Å; N319-P321 WeakPolarHBondContact O-CD 3.48Å
320	C	28.8	Very low	46.6	Very low	115 Å²	115	127.8 Å²	127.8	78%	0.777	66%	0.659	S	S	*	*			trans	-92.9	104.3	157.8	-150.3	0	0	0	0	109.1	T322	C320-T322 PolarHBondContact O-N 3.2Å
321	P	32.4	Very low	48.8	Very low	99 Å²	99	124 Å²	124	64%	0.643	65%	0.653	S	S	*	*			trans	-56.9	134.9	177.1	22	-30.1	0	0	0	108.5	N319 K323	N319-P321 VanDerWaalsContact O-CD 3.27Å; N319-P321 WeakPolarHBondContact O-CD 3.48Å; P321-K323 PolarHBondContact O-N 3.15Å
322	T	36.5	Very low	51.3	Low	136 Å²	136	123.4 Å²	123.4	83%	0.834	65%	0.645	S	S	*	*			trans	-57.7	70.9	172.8	37.5	0	0	0	0	110.6	C320 L324	C320-T322 PolarHBondContact O-N 3.2Å; T322-L324 PolarHBondContact O-N 2.97Å
323	K	34.8	Very low	54.1	Low	180 Å²	180	119 Å²	119	78%	0.783	62%	0.621	S	S	*	*			trans	-53	124	151.7	-75.5	-174.7	177	179.2	0	104.6	P321 R325	P321-K323 PolarHBondContact O-N 3.15Å; K323-R325 PolarHBondContact O-N 3.23Å
324	L	39.3	Very low	56.9	Low	168 Å²	168	117.6 Å²	117.6	88%	0.88	61%	0.608	S	S	*	*			trans	-37.5	102.7	176.1	-80.7	91	0	0	0	108.2	T322 D326	T322-L324 PolarHBondContact O-N 2.97Å; L324-D326 PolarHBondContact O-N 3.14Å; L324-D326 VanDerWaalsContact O-N 3.08Å
325	R	52.3	Low	59.6	Low	157 Å²	157	114.1 Å²	114.1	59%	0.592	59%	0.588	S	S	*	*			trans	-62.2	117.7	177.1	-74.8	-178.5	172.5	179.1	-4.4	104.8	K323 V327	K323-R325 PolarHBondContact O-N 3.23Å; R325-V327 PolarHBondContact O-N 3.46Å; R325-V327 VanDerWaalsContact O-N 3.11Å
326	D	62.8	Low	62.4	Low	151 Å²	151	108.9 Å²	108.9	81%	0.807	56%	0.564	S	S	*	*			trans	-48.2	123.2	176.4	-78.2	-42.1	0	0	0	108.2	L324 V328	L324-D326 PolarHBondContact O-N 3.14Å; L324-D326 VanDerWaalsContact O-N 3.08Å; D326-V328 PolarHBondContact O-N 3.41Å
327	V	74.6	Confident	65.3	Low	106 Å²	106	105.2 Å²	105.2	64%	0.642	54%	0.541	S	S	*	.			trans	-61.2	112.8	179.2	176.5	0	0	0	0	107	R325 R329	R325-V327 PolarHBondContact O-N 3.46Å; R325-V327 VanDerWaalsContact O-N 3.11Å; V327-R329 WeakPolarHBondContact O-CG 3.37Å; V327-R329 PolarHBondContact O-N 3.42Å
328	V	85.5	Confident	68.1	Low	27 Å²	27	99 Å²	99	16%	0.164	51%	0.509	C	S	.	.			trans	-59.7	129.5	177.9	-179.5	0	0	0	0	109.5	D326 F333 F401	D326-V328 PolarHBondContact O-N 3.41Å; V328-F333 HydrophobicContact CG1-CE2 3.49Å; V328-F333 VanDerWaalsContact CG1-CE2 3.49Å; V328-F333 HydrophobicContact CG1-CZ 3.75Å; V328-F401 HydrophobicContact CB-CD1 4.26Å; V328-F401 HydrophobicContact CG1-CD1 3.79Å; V328-F401 HydrophobicContact CG1-CE1 3.85Å; V328-F401 WeakPolarHBondContact O-CG 3.46Å
329	R	88.1	Confident	70.9	Confident	155 Å²	155	91.1 Å²	91.1	59%	0.585	47%	0.472	S	S	*	.			trans	-125.8	157.8	-177.7	-68.9	164.6	-173.8	-165.9	1.6	111	V327 T331 D332 F333	V327-R329 WeakPolarHBondContact O-CG 3.37Å; V327-R329 PolarHBondContact O-N 3.42Å; R329-T331 WeakPolarHBondContact CB-OG1 3.41Å; R329-T331 PolarHBondContact O-N 3.14Å; R329-T331 VanDerWaalsContact O-N 3.14Å; R329-D332 PolarHBondContact N-OD2 2.88Å; R329-D332 WeakPolarHBondContact O-CB 3.47Å; R329-D332 PolarHBondContact O-N 2.68Å; R329-F333 WeakPolarHBondContact O-CD2 3.38Å
330	A	87.3	Confident	73.8	Confident	23 Å²	23	84.5 Å²	84.5	19%	0.19	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-57.5	-29.6	172.8	0	0	0	0	0	112.6	D332 F333 F401 Y408	A330-D332 PolarHBondContact O-N 2.7Å; A330-F333 PolarHBondContact O-N 3.2Å; A330-F401 HydrophobicContact CB-CE2 3.94Å; A330-F401 HydrophobicContact CB-CZ 4.18Å; A330-Y408 HydrophobicContact CB-CE1 4Å
331	T	89.4	Confident	76.6	Confident	90 Å²	90	86.1 Å²	86.1	55%	0.552	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-68.1	-16.6	177.8	48.5	0	0	0	0	114	R329 F333 K353	R329-T331 WeakPolarHBondContact CB-OG1 3.41Å; R329-T331 PolarHBondContact O-N 3.14Å; R329-T331 VanDerWaalsContact O-N 3.14Å; T331-F333 PolarHBondContact O-N 3.21Å; T331-K353 WeakPolarHBondContact O-CD 3.23Å; T331-K353 WeakPolarHBondContact O-CE 3.16Å; T331-K353 PolarHBondContact O-NZ 3.34Å
332	D	91	Very high	78.7	Confident	54 Å²	54	83.6 Å²	83.6	29%	0.289	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-82.7	-8	-178.2	-50.9	-18.1	0	0	0	110.9	R329 A330 K353	R329-D332 PolarHBondContact N-OD2 2.88Å; R329-D332 WeakPolarHBondContact O-CB 3.47Å; R329-D332 PolarHBondContact O-N 2.68Å; A330-D332 PolarHBondContact O-N 2.7Å; D332-K353 PolarHBondContact O-N 3.29Å
333	F	93.5	Very high	80.5	Confident	10 Å²	10	81.4 Å²	81.4	4%	0.044	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.4	-179.1	-60.6	-80.6	0	0	0	111.4	V328 R329 A330 T331 F335 A350 E351 R352 Y359 F401 V410	V328-F333 HydrophobicContact CG1-CE2 3.49Å; V328-F333 VanDerWaalsContact CG1-CE2 3.49Å; V328-F333 HydrophobicContact CG1-CZ 3.75Å; R329-F333 WeakPolarHBondContact O-CD2 3.38Å; A330-F333 PolarHBondContact O-N 3.2Å; T331-F333 PolarHBondContact O-N 3.21Å; F333-F335 HydrophobicContact CB-CZ 4.39Å; F333-A350 HydrophobicContact CB-CB 4.09Å; F333-A350 HydrophobicContact CD1-CB 4.22Å; F333-A350 HydrophobicContact CG-CB 4.46Å; F333-E351 CarbonylContact C-O 3.44Å; F333-E351 WeakPolarHBondContact CA-O 3.41Å; F333-R352 HydrophobicContact CD1-CB 4.27Å; F333-R352 HydrophobicContact CE1-CB 4.23Å; F333-Y359 HydrophobicContact CD1-CD2 4.42Å; F333-Y359 AromaticContact CE1-CD2 3.88Å; F333-Y359 HydrophobicContact CE1-CD2 3.88Å; F333-Y359 HydrophobicContact CE1-CE2 4.31Å; F333-Y359 HydrophobicContact CE1-CG 4.41Å; F333-F401 HydrophobicContact CD2-CE1 4.49Å; F333-F401 HydrophobicContact CD2-CZ 4.46Å; F333-F401 AromaticContact CE2-CE1 3.86Å; F333-F401 HydrophobicContact CE2-CE1 3.86Å; F333-F401 HydrophobicContact CE2-CZ 4.25Å; F333-V410 HydrophobicContact CE1-CG1 3.97Å; F333-V410 HydrophobicContact CE2-CG2 4.05Å; F333-V410 HydrophobicContact CZ-CB 4.48Å; F333-V410 HydrophobicContact CZ-CG1 3.84Å; F333-V410 HydrophobicContact CZ-CG2 3.8Å
334	K	94.3	Very high	82.8	Confident	115 Å²	115	74.9 Å²	74.9	50%	0.5	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.6	166	178	-172.8	172.8	-166.2	0	107.7	I336 A350 E351	K334-I336 WeakPolarHBondContact O-CG1 3.45Å; K334-I336 PolarHBondContact O-N 3Å; K334-A350 WeakPolarHBondContact O-CA 3.32Å; K334-E351 PolarHBondContact N-O 3.32Å; K334-E351 IonicContact NZ-OE2 2.71Å; K334-E351 PolarHBondContact O-N 3.39Å
335	F	94.7	Very high	85.1	Confident	42 Å²	42	67.6 Å²	67.6	18%	0.184	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	124.5	175.9	-60.4	-70.9	0	0	0	110.3	F333 M348 A350 V361 I363 Y408 P630	F333-F335 HydrophobicContact CB-CZ 4.39Å; F335-M348 HydrophobicContact CB-CE 3.96Å; F335-M348 HydrophobicContact CB-SD 4.19Å; F335-M348 HydrophobicContact CD1-CB 3.89Å; F335-M348 HydrophobicContact CD1-CE 3.38Å; F335-M348 HydrophobicContact CD1-SD 4.29Å; F335-M348 HydrophobicContact CD2-CE 3.95Å; F335-M348 HydrophobicContact CE1-CE 3.79Å; F335-M348 HydrophobicContact CE2-CE 4.31Å; F335-M348 HydrophobicContact CG-CE 3.47Å; F335-M348 VanDerWaalsContact CG-CE 3.47Å; F335-M348 HydrophobicContact CG-SD 4.32Å; F335-M348 HydrophobicContact CZ-CE 4.23Å; F335-A350 HydrophobicContact CD1-CB 3.77Å; F335-A350 HydrophobicContact CE1-CB 4.03Å; F335-V361 HydrophobicContact CE1-CB 4.03Å; F335-V361 HydrophobicContact CE1-CG1 4.11Å; F335-V361 HydrophobicContact CE1-CG2 4.26Å; F335-I363 HydrophobicContact CD1-CD1 4.38Å; F335-I363 HydrophobicContact CE1-CD1 3.69Å; F335-I363 HydrophobicContact CZ-CD1 3.9Å; F335-Y408 HydrophobicContact CZ-CE1 4.3Å; F335-P630 HydrophobicContact CB-CB 4.27Å
336	I	93.4	Very high	87.1	Confident	43 Å²	43	61.7 Å²	61.7	22%	0.221	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-48.8	-171.4	-53.8	179.8	0	0	0	111	K334 L349 E351 L358 P630	K334-I336 WeakPolarHBondContact O-CG1 3.45Å; K334-I336 PolarHBondContact O-N 3Å; I336-L349 HydrophobicContact CB-CD2 4.31Å; I336-L349 HydrophobicContact CB-CG 4.26Å; I336-L349 HydrophobicContact CD1-CD2 4.49Å; I336-L349 HydrophobicContact CD1-CG 4.39Å; I336-L349 HydrophobicContact CG2-CD2 4.45Å; I336-L349 PolarHBondContact N-O 2.92Å; I336-E351 HydrophobicContact CD1-CB 3.65Å; I336-E351 HydrophobicContact CG1-CB 4.36Å; I336-L358 HydrophobicContact CD1-CD2 4.1Å; I336-P630 WeakPolarHBondContact O-CG 3.39Å
337	K	93.8	Very high	88.6	Confident	70 Å²	70	56.3 Å²	56.3	30%	0.304	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.8	-175.5	-74.4	-169.5	175.5	-158.5	0	111.7	M348 L349 T618	K337-M348 CarbonylContact O-C 3.59Å; K337-M348 WeakPolarHBondContact O-CA 3.47Å; K337-M348 WeakPolarHBondContact O-CB 3.35Å; K337-L349 HydrophobicContact CB-CB 4.33Å; K337-L349 PolarHBondContact O-N 3.05Å; K337-T618 HydrophobicContact CD-CG2 3.96Å; K337-T618 VanDerWaalsContact CD-OG1 3.27Å; K337-T618 WeakPolarHBondContact CD-OG1 3.36Å; K337-T618 WeakPolarHBondContact CE-OG1 3.45Å; K337-T618 PolarHBondContact NZ-OG1 3.29Å
338	V	94.3	Very high	89.6	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.024	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	124.5	165	-174.8	0	0	0	0	108.3	K346 M348 F625 T626 V628	V338-K346 HydrophobicContact CG1-CD 4.42Å; V338-K346 HydrophobicContact CG2-CD 4.41Å; V338-M348 HydrophobicContact CG2-CG 4.38Å; V338-M348 HydrophobicContact CG2-SD 4.33Å; V338-F625 HydrophobicContact CG1-CB 4.34Å; V338-F625 CarbonylContact O-C 3.54Å; V338-T626 VanDerWaalsContact O-CA 3.3Å; V338-T626 WeakPolarHBondContact O-CA 3.45Å; V338-T626 PolarHBondContact O-N 3.06Å; V338-V628 HydrophobicContact CB-CB 4.44Å; V338-V628 HydrophobicContact CG2-CB 4.21Å; V338-V628 HydrophobicContact CG2-CG1 4.23Å
339	L	92.3	Very high	90.1	Very high	14 Å²	14	50 Å²	50	7%	0.073	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-32.6	178.3	-62.8	176.7	0	0	0	111.6	V347 L349 A360 F413 T618 F621	L339-V347 HydrophobicContact CB-CB 4.49Å; L339-V347 HydrophobicContact CB-CG1 4.29Å; L339-V347 HydrophobicContact CD1-CG1 4.35Å; L339-V347 PolarHBondContact N-O 3.03Å; L339-L349 HydrophobicContact CD1-CB 4.03Å; L339-L349 HydrophobicContact CD2-CB 4.05Å; L339-L349 HydrophobicContact CG-CB 4.02Å; L339-A360 HydrophobicContact CD1-CB 4.29Å; L339-F413 HydrophobicContact CD1-CD2 3.78Å; L339-F413 HydrophobicContact CD1-CE2 3.58Å; L339-F413 HydrophobicContact CD2-CE2 3.96Å; L339-F413 HydrophobicContact CG-CE2 4.43Å; L339-T618 HydrophobicContact CD2-CG2 3.62Å; L339-F621 HydrophobicContact CB-CD1 4.06Å; L339-F621 HydrophobicContact CB-CE1 4.04Å; L339-F621 HydrophobicContact CD1-CE1 4.26Å; L339-F621 HydrophobicContact CD1-CZ 4.41Å; L339-F621 HydrophobicContact CD2-CD1 3.94Å; L339-F621 HydrophobicContact CD2-CD2 4.24Å; L339-F621 HydrophobicContact CD2-CE1 3.89Å; L339-F621 HydrophobicContact CD2-CE2 4.17Å; L339-F621 HydrophobicContact CD2-CG 4.11Å; L339-F621 HydrophobicContact CD2-CZ 3.99Å; L339-F621 HydrophobicContact CG-CE1 4.28Å
340	G	90.7	Very high	90.5	Very high	15 Å²	15	42.6 Å²	42.6	16%	0.155	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	168.4	179.6	0	0	0	0	0	112.3	V347	G340-V347 PolarHBondContact N-O 3.14Å; G340-V347 PolarHBondContact O-N 3Å
341	K	87.1	Confident	90.9	Very high	150 Å²	150	42.6 Å²	42.6	65%	0.652	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132	122.8	177.8	-174	-173.8	173.3	-165.2	0	109.2	F625	K341-F625 HydrophobicContact CB-CD1 4.44Å; K341-F625 HydrophobicContact CB-CE1 4.26Å
342	G	77.5	Confident	91.1	Very high	45 Å²	45	43 Å²	43	46%	0.464	23%	0.226	S	C	.	.			trans	-99.6	-175.4	172.5	0	0	0	0	0	111.7	F344 G345	G342-F344 PolarHBondContact O-N 2.63Å; G342-G345 PolarHBondContact N-O 3.18Å
343	S	75.2	Confident	91.1	Very high	91 Å²	91	45.5 Å²	45.5	64%	0.636	23%	0.234	S	C	*	.	S	Bend	trans	-55.4	-48	176.1	46.4	0	0	0	0	112.3
344	F	82	Confident	90.9	Very high	42 Å²	42	53.3 Å²	53.3	18%	0.184	28%	0.276	C	S	.	.	S	Bend	trans	-101.1	-1.1	-170.9	-36.4	-64.8	0	0	0	114.6	G342 L364 K365 V368 V369 D372 D374	G342-F344 PolarHBondContact O-N 2.63Å; F344-L364 HydrophobicContact CB-CD2 4.23Å; F344-K365 PolarHBondContact O-N 3.38Å; F344-V368 HydrophobicContact CD1-CG1 4.18Å; F344-V369 HydrophobicContact CB-CG2 3.81Å; F344-V369 HydrophobicContact CG-CG2 4.14Å; F344-D372 HydrophobicContact CE1-CB 3.99Å; F344-D372 WeakPolarHBondContact CE1-OD2 3.47Å; F344-D374 HydrophobicContact CE1-CB 3.97Å; F344-D374 WeakPolarHBondContact CE1-OD2 3.39Å; F344-D374 HydrophobicContact CE2-CB 4.21Å; F344-D374 HydrophobicContact CZ-CB 3.72Å; F344-D374 VanDerWaalsContact CZ-CG 3.43Å; F344-D374 WeakPolarHBondContact CZ-OD2 3.33Å
345	G	87.9	Confident	90.7	Very high	15 Å²	15	49.9 Å²	49.9	16%	0.155	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	-173.1	-163	0	0	0	0	0	117.4	G342 I363	G342-G345 PolarHBondContact N-O 3.18Å; G345-I363 WeakPolarHBondContact CA-O 3.45Å
346	K	93.9	Very high	90.3	Very high	34 Å²	34	54.3 Å²	54.3	15%	0.148	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.5	176.4	-63.7	-177.4	-175.1	177.1	0	109.8	V338 M348 I363 E631 S633	V338-K346 HydrophobicContact CG1-CD 4.42Å; V338-K346 HydrophobicContact CG2-CD 4.41Å; K346-M348 HydrophobicContact CB-CG 4.34Å; K346-I363 PolarHBondContact N-O 3.15Å; K346-I363 VanDerWaalsContact N-O 3.1Å; K346-I363 PolarHBondContact O-N 3.01Å; K346-E631 PolarHBondContact NZ-O 2.98Å; K346-S633 VanDerWaalsContact CE-OG 3.23Å; K346-S633 WeakPolarHBondContact CE-OG 3.5Å; K346-S633 PolarHBondContact NZ-OG 2.91Å
347	V	94.6	Very high	90.3	Very high	37 Å²	37	54.8 Å²	54.8	22%	0.224	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.1	163.9	-173.7	0	0	0	0	107.2	L339 G340 A360 V361 K362	L339-V347 HydrophobicContact CB-CB 4.49Å; L339-V347 HydrophobicContact CB-CG1 4.29Å; L339-V347 HydrophobicContact CD1-CG1 4.35Å; L339-V347 PolarHBondContact N-O 3.03Å; G340-V347 PolarHBondContact N-O 3.14Å; G340-V347 PolarHBondContact O-N 3Å; V347-A360 HydrophobicContact CG1-CB 4.25Å; V347-V361 WeakPolarHBondContact CA-O 3.34Å; V347-K362 HydrophobicContact CG2-CB 4.18Å; V347-K362 HydrophobicContact CG2-CG 4.06Å
348	M	95.4	Very high	90.3	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.6	-179.3	-63.6	-157	-73.4	0	0	111.3	F335 K337 V338 K346 A350 V361 I363 P630 L632	F335-M348 HydrophobicContact CB-CE 3.96Å; F335-M348 HydrophobicContact CB-SD 4.19Å; F335-M348 HydrophobicContact CD1-CB 3.89Å; F335-M348 HydrophobicContact CD1-CE 3.38Å; F335-M348 HydrophobicContact CD1-SD 4.29Å; F335-M348 HydrophobicContact CD2-CE 3.95Å; F335-M348 HydrophobicContact CE1-CE 3.79Å; F335-M348 HydrophobicContact CE2-CE 4.31Å; F335-M348 HydrophobicContact CG-CE 3.47Å; F335-M348 VanDerWaalsContact CG-CE 3.47Å; F335-M348 HydrophobicContact CG-SD 4.32Å; F335-M348 HydrophobicContact CZ-CE 4.23Å; K337-M348 CarbonylContact O-C 3.59Å; K337-M348 WeakPolarHBondContact O-CA 3.47Å; K337-M348 WeakPolarHBondContact O-CB 3.35Å; V338-M348 HydrophobicContact CG2-CG 4.38Å; V338-M348 HydrophobicContact CG2-SD 4.33Å; K346-M348 HydrophobicContact CB-CG 4.34Å; M348-A350 PolarHBondContact O-N 3.11Å; M348-V361 PolarHBondContact N-O 3.22Å; M348-V361 PolarHBondContact O-N 3.29Å; M348-I363 HydrophobicContact CE-CD1 3.18Å; M348-I363 HydrophobicContact CG-CD1 4.47Å; M348-P630 HydrophobicContact SD-CB 4.08Å; M348-L632 HydrophobicContact CE-CD2 3.55Å
349	L	96.1	Very high	90.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	126.8	164	177	61	0	0	0	108	I336 K337 L339 L358 F413 T618	I336-L349 HydrophobicContact CB-CD2 4.31Å; I336-L349 HydrophobicContact CB-CG 4.26Å; I336-L349 HydrophobicContact CD1-CD2 4.49Å; I336-L349 HydrophobicContact CD1-CG 4.39Å; I336-L349 HydrophobicContact CG2-CD2 4.45Å; I336-L349 PolarHBondContact N-O 2.92Å; K337-L349 HydrophobicContact CB-CB 4.33Å; K337-L349 PolarHBondContact O-N 3.05Å; L339-L349 HydrophobicContact CD1-CB 4.03Å; L339-L349 HydrophobicContact CD2-CB 4.05Å; L339-L349 HydrophobicContact CG-CB 4.02Å; L349-L358 HydrophobicContact CD1-CB 4.28Å; L349-L358 HydrophobicContact CD1-CD2 4.23Å; L349-F413 HydrophobicContact CD1-CB 4.39Å; L349-F413 HydrophobicContact CD1-CD1 3.76Å; L349-F413 HydrophobicContact CD1-CD2 3.81Å; L349-F413 HydrophobicContact CD1-CE1 3.91Å; L349-F413 HydrophobicContact CD1-CE2 3.98Å; L349-F413 HydrophobicContact CD1-CG 3.71Å; L349-F413 HydrophobicContact CD1-CZ 4.03Å; L349-F413 HydrophobicContact CD2-CZ 4.42Å; L349-T618 HydrophobicContact CD2-CG2 4.13Å
350	A	96.2	Very high	90.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.5	178	0	0	0	0	0	111	F333 K334 F335 M348 L358 Y359 V361	F333-A350 HydrophobicContact CB-CB 4.09Å; F333-A350 HydrophobicContact CD1-CB 4.22Å; F333-A350 HydrophobicContact CG-CB 4.46Å; K334-A350 WeakPolarHBondContact O-CA 3.32Å; F335-A350 HydrophobicContact CD1-CB 3.77Å; F335-A350 HydrophobicContact CE1-CB 4.03Å; M348-A350 PolarHBondContact O-N 3.11Å; A350-L358 WeakPolarHBondContact O-CA 3.29Å; A350-Y359 PolarHBondContact N-O 2.8Å; A350-Y359 PolarHBondContact O-N 3.14Å; A350-V361 HydrophobicContact CB-CG2 3.56Å
351	E	95.2	Very high	90.9	Very high	23 Å²	23	52 Å²	52	11%	0.107	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.1	171	172.9	-177.2	-169.8	0	0	107.7	F333 K334 I336 E357 L358 R616	F333-E351 CarbonylContact C-O 3.44Å; F333-E351 WeakPolarHBondContact CA-O 3.41Å; K334-E351 PolarHBondContact N-O 3.32Å; K334-E351 IonicContact NZ-OE2 2.71Å; K334-E351 PolarHBondContact O-N 3.39Å; I336-E351 HydrophobicContact CD1-CB 3.65Å; I336-E351 HydrophobicContact CG1-CB 4.36Å; E351-E357 WeakPolarHBondContact CA-O 3.29Å; E351-L358 HydrophobicContact CB-CD2 3.95Å; E351-L358 HydrophobicContact CG-CD2 4.48Å; E351-R616 IonicContact OE1-CZ 3.06Å; E351-R616 IonicContact OE1-NH2 2.81Å; E351-R616 PolarHBondContact OE1-NH2 2.8Å; E351-R616 IonicContact OE2-CZ 3.33Å; E351-R616 IonicContact OE2-NH1 3.63Å; E351-R616 IonicContact OE2-NH2 3.38Å; E351-R616 PolarHBondContact OE2-NH2 2.92Å
352	R	93.3	Very high	91.3	Very high	99 Å²	99	46.2 Å²	46.2	37%	0.374	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	132.7	173.4	177.5	-177.8	-177.8	-175.1	1.9	108.7	F333 T355 E357 Y359	F333-R352 HydrophobicContact CD1-CB 4.27Å; F333-R352 HydrophobicContact CE1-CB 4.23Å; R352-T355 WeakPolarHBondContact CB-OG1 3.48Å; R352-T355 HydrophobicContact CG-CG2 4.42Å; R352-T355 PolarHBondContact O-N 3.41Å; R352-T355 PolarHBondContact O-OG1 3.25Å; R352-E357 WeakPolarHBondContact CD-OE2 3.29Å; R352-E357 PolarHBondContact N-O 3.14Å; R352-E357 IonicContact NH1-OE2 3.19Å; R352-E357 PolarHBondContact NH1-OE2 3.41Å; R352-Y359 HydrophobicContact CB-CD2 4.37Å; R352-Y359 HydrophobicContact CB-CE2 3.91Å
353	K	92.1	Very high	92.2	Very high	107 Å²	107	44.3 Å²	44.3	47%	0.465	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	145.6	-178.5	-70.1	-179.7	-179.5	171.7	0	110.6	T331 D332 T355	T331-K353 WeakPolarHBondContact O-CD 3.23Å; T331-K353 WeakPolarHBondContact O-CE 3.16Å; T331-K353 PolarHBondContact O-NZ 3.34Å; D332-K353 PolarHBondContact O-N 3.29Å; K353-T355 PolarHBondContact O-N 3.45Å; K353-T355 VanDerWaalsContact O-N 3.11Å
354	D	90	Very high	93.1	Very high	173 Å²	173	40.3 Å²	40.3	93%	0.925	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	11.3	-179.9	-46	-49	0	0	0	114.1
355	T	89.6	Confident	93.7	Very high	44 Å²	44	40 Å²	40	27%	0.27	20%	0.202	S	C	.	.	S	Bend	trans	-133.8	165.3	169.7	78.5	0	0	0	0	109.7	R352 K353 E357	R352-T355 WeakPolarHBondContact CB-OG1 3.48Å; R352-T355 HydrophobicContact CG-CG2 4.42Å; R352-T355 PolarHBondContact O-N 3.41Å; R352-T355 PolarHBondContact O-OG1 3.25Å; K353-T355 PolarHBondContact O-N 3.45Å; K353-T355 VanDerWaalsContact O-N 3.11Å; T355-E357 VanDerWaalsContact C-N 3.31Å; T355-E357 WeakPolarHBondContact OG1-CB 3.36Å; T355-E357 PolarHBondContact OG1-N 2.97Å
356	D	87	Confident	93.9	Very high	135 Å²	135	39.4 Å²	39.4	72%	0.722	20%	0.195	S	C	*	.			trans	-94.8	13.3	171.8	-72.4	-55.8	0	0	0	112.1	R616	D356-R616 IonicContact OD1-NH2 3.89Å
357	E	91.9	Very high	93.8	Very high	52 Å²	52	37.9 Å²	37.9	24%	0.243	19%	0.188	C	C	.	.			trans	-75.5	127	-175.4	-61.6	175.5	160.2	0	0	111.3	E351 R352 T355 Y359	E351-E357 WeakPolarHBondContact CA-O 3.29Å; R352-E357 WeakPolarHBondContact CD-OE2 3.29Å; R352-E357 PolarHBondContact N-O 3.14Å; R352-E357 IonicContact NH1-OE2 3.19Å; R352-E357 PolarHBondContact NH1-OE2 3.41Å; T355-E357 VanDerWaalsContact C-N 3.31Å; T355-E357 WeakPolarHBondContact OG1-CB 3.36Å; T355-E357 PolarHBondContact OG1-N 2.97Å; E357-Y359 HydrophobicContact CB-CD2 4.48Å; E357-Y359 HydrophobicContact CB-CE2 3.56Å; E357-Y359 PolarHBondContact OE2-OH 2.91Å
358	L	94.7	Very high	93.7	Very high	32 Å²	32	37.4 Å²	37.4	17%	0.168	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140.2	-179.9	-63.6	172.3	0	0	0	111.7	I336 L349 A350 E351 F413 P615 R616	I336-L358 HydrophobicContact CD1-CD2 4.1Å; L349-L358 HydrophobicContact CD1-CB 4.28Å; L349-L358 HydrophobicContact CD1-CD2 4.23Å; A350-L358 WeakPolarHBondContact O-CA 3.29Å; E351-L358 HydrophobicContact CB-CD2 3.95Å; E351-L358 HydrophobicContact CG-CD2 4.48Å; L358-F413 HydrophobicContact CB-CB 4.43Å; L358-F413 HydrophobicContact CB-CD1 4.33Å; L358-F413 HydrophobicContact CD1-CD1 4.48Å; L358-P615 VanDerWaalsContact CD1-C 3.46Å; L358-P615 HydrophobicContact CD1-CB 3.79Å; L358-P615 WeakPolarHBondContact CD1-O 3.4Å; L358-R616 HydrophobicContact CD1-CG 3.69Å; L358-R616 HydrophobicContact CD2-CG 4.01Å; L358-R616 HydrophobicContact CG-CG 4.49Å
359	Y	96.2	Very high	93.5	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.3	-178.7	-61.2	-83.2	0	0	0	111.1	F333 A350 R352 E357 H398 V410 M411 F658	F333-Y359 HydrophobicContact CD1-CD2 4.42Å; F333-Y359 AromaticContact CE1-CD2 3.88Å; F333-Y359 HydrophobicContact CE1-CD2 3.88Å; F333-Y359 HydrophobicContact CE1-CE2 4.31Å; F333-Y359 HydrophobicContact CE1-CG 4.41Å; A350-Y359 PolarHBondContact N-O 2.8Å; A350-Y359 PolarHBondContact O-N 3.14Å; R352-Y359 HydrophobicContact CB-CD2 4.37Å; R352-Y359 HydrophobicContact CB-CE2 3.91Å; E357-Y359 HydrophobicContact CB-CD2 4.48Å; E357-Y359 HydrophobicContact CB-CE2 3.56Å; E357-Y359 PolarHBondContact OE2-OH 2.91Å; Y359-H398 HydrophobicContact CD1-CB 4.2Å; Y359-H398 HydrophobicContact CE1-CB 3.88Å; Y359-H398 AromaticContact CE1-CD2 3.76Å; Y359-H398 AromaticContact CE1-CG 3.8Å; Y359-V410 HydrophobicContact CD1-CG1 3.59Å; Y359-V410 HydrophobicContact CD2-CG1 4.42Å; Y359-V410 HydrophobicContact CE1-CG1 4.26Å; Y359-V410 HydrophobicContact CG-CG1 3.68Å; Y359-M411 WeakPolarHBondContact CA-O 3.46Å; Y359-M411 WeakPolarHBondContact CB-O 3.36Å; Y359-F658 HydrophobicContact CD1-CZ 4.44Å; Y359-F658 AromaticContact CE1-CE1 3.75Å; Y359-F658 HydrophobicContact CE1-CE1 3.75Å; Y359-F658 AromaticContact CE1-CZ 3.96Å; Y359-F658 HydrophobicContact CE1-CZ 3.96Å
360	A	96	Very high	93.3	Very high	10 Å²	10	39.5 Å²	39.5	8%	0.083	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.8	161.8	0	0	0	0	0	108.6	L339 V347 M411 F413	L339-A360 HydrophobicContact CD1-CB 4.29Å; V347-A360 HydrophobicContact CG1-CB 4.25Å; A360-M411 PolarHBondContact N-O 2.88Å; A360-M411 PolarHBondContact O-N 3.39Å; A360-F413 HydrophobicContact CB-CD2 4.49Å
361	V	96.6	Very high	93	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	107.7	-178.9	-170.2	0	0	0	0	109.8	F335 V347 M348 A350 I363 Y408 F409 V410	F335-V361 HydrophobicContact CE1-CB 4.03Å; F335-V361 HydrophobicContact CE1-CG1 4.11Å; F335-V361 HydrophobicContact CE1-CG2 4.26Å; V347-V361 WeakPolarHBondContact CA-O 3.34Å; M348-V361 PolarHBondContact N-O 3.22Å; M348-V361 PolarHBondContact O-N 3.29Å; A350-V361 HydrophobicContact CB-CG2 3.56Å; V361-I363 HydrophobicContact CB-CG1 4.47Å; V361-I363 HydrophobicContact CG1-CD1 4.14Å; V361-I363 HydrophobicContact CG1-CG1 3.74Å; V361-Y408 HydrophobicContact CG1-CD1 3.97Å; V361-F409 CarbonylContact C-O 3.33Å; V361-F409 VanDerWaalsContact CA-O 3.23Å; V361-F409 WeakPolarHBondContact CA-O 3.42Å; V361-V410 HydrophobicContact CG1-CG2 4.48Å
362	K	96.1	Very high	92.7	Very high	29 Å²	29	47.6 Å²	47.6	13%	0.126	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	122	171.7	-172	-177.3	-163.5	-176.9	0	108.5	V347 L364 E381 Y408 F409 M411 D475	V347-K362 HydrophobicContact CG2-CB 4.18Å; V347-K362 HydrophobicContact CG2-CG 4.06Å; K362-L364 HydrophobicContact CD-CD2 4.35Å; K362-L364 HydrophobicContact CG-CD2 3.95Å; K362-E381 IonicContact NZ-OE1 3.44Å; K362-E381 PolarHBondContact NZ-OE1 2.84Å; K362-E381 IonicContact NZ-OE2 3.52Å; K362-E381 PolarHBondContact NZ-OE2 3.22Å; K362-Y408 WeakPolarHBondContact O-CA 3.29Å; K362-F409 HydrophobicContact CB-CB 4.15Å; K362-F409 HydrophobicContact CB-CD2 4.39Å; K362-F409 PolarHBondContact N-O 3.49Å; K362-F409 PolarHBondContact O-N 2.88Å; K362-M411 HydrophobicContact CB-CE 3.72Å; K362-D475 IonicContact NZ-OD1 3.27Å; K362-D475 PolarHBondContact NZ-OD1 2.82Å
363	I	96	Very high	92.5	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.5	-171.5	-54.1	167.1	0	0	0	108.7	F335 G345 K346 M348 V361 R406 L407 Y408 L632	F335-I363 HydrophobicContact CD1-CD1 4.38Å; F335-I363 HydrophobicContact CE1-CD1 3.69Å; F335-I363 HydrophobicContact CZ-CD1 3.9Å; G345-I363 WeakPolarHBondContact CA-O 3.45Å; K346-I363 PolarHBondContact N-O 3.15Å; K346-I363 VanDerWaalsContact N-O 3.1Å; K346-I363 PolarHBondContact O-N 3.01Å; M348-I363 HydrophobicContact CE-CD1 3.18Å; M348-I363 HydrophobicContact CG-CD1 4.47Å; V361-I363 HydrophobicContact CB-CG1 4.47Å; V361-I363 HydrophobicContact CG1-CD1 4.14Å; V361-I363 HydrophobicContact CG1-CG1 3.74Å; I363-R406 HydrophobicContact CG2-CB 4.41Å; I363-R406 HydrophobicContact CG2-CG 4.46Å; I363-L407 WeakPolarHBondContact CA-O 3.37Å; I363-Y408 HydrophobicContact CB-CD1 4.4Å; I363-Y408 HydrophobicContact CB-CE1 4.38Å; I363-Y408 HydrophobicContact CD1-CD1 4.13Å; I363-Y408 HydrophobicContact CD1-CE1 3.9Å; I363-Y408 HydrophobicContact CG1-CD1 3.64Å; I363-Y408 HydrophobicContact CG1-CE1 3.8Å; I363-Y408 HydrophobicContact CG2-CD1 4.09Å; I363-Y408 HydrophobicContact CG2-CE1 3.71Å; I363-L632 HydrophobicContact CD1-CD2 3.79Å; I363-L632 HydrophobicContact CG2-CD2 4.14Å
364	L	94.9	Very high	92.5	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	142.8	-178	-46.1	-178	0	0	0	110.6	F344 K362 V369 A378 R406 L407 F409	F344-L364 HydrophobicContact CB-CD2 4.23Å; K362-L364 HydrophobicContact CD-CD2 4.35Å; K362-L364 HydrophobicContact CG-CD2 3.95Å; L364-V369 HydrophobicContact CB-CG2 4.05Å; L364-V369 HydrophobicContact CD1-CG2 4.44Å; L364-A378 HydrophobicContact CD1-CB 4.16Å; L364-R406 WeakPolarHBondContact O-CA 3.47Å; L364-R406 WeakPolarHBondContact O-CB 3.3Å; L364-L407 HydrophobicContact CB-CB 4.24Å; L364-L407 PolarHBondContact N-O 3.11Å; L364-L407 PolarHBondContact O-N 2.87Å; L364-F409 HydrophobicContact CD1-CE2 3.85Å; L364-F409 HydrophobicContact CG-CE2 4.4Å
365	K	93.9	Very high	92.6	Very high	37 Å²	37	39.5 Å²	39.5	16%	0.161	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	118.6	174.8	-78.6	-169.8	71.9	-150.9	0	110.1	F344 D367 V368 V369 P634 T635	F344-K365 PolarHBondContact O-N 3.38Å; K365-D367 VanDerWaalsContact C-N 3.31Å; K365-D367 WeakPolarHBondContact CB-OD1 3.24Å; K365-D367 WeakPolarHBondContact CE-OD1 3.38Å; K365-D367 VanDerWaalsContact CE-OD2 3.26Å; K365-D367 WeakPolarHBondContact CE-OD2 3.32Å; K365-D367 IonicContact NZ-OD1 3.66Å; K365-D367 IonicContact NZ-OD2 2.83Å; K365-D367 PolarHBondContact NZ-OD2 2.92Å; K365-D367 PolarHBondContact O-N 3.31Å; K365-V368 HydrophobicContact CB-CB 3.99Å; K365-V368 HydrophobicContact CB-CG2 3.69Å; K365-V368 HydrophobicContact CD-CG2 3.86Å; K365-V368 HydrophobicContact CG-CG2 4.42Å; K365-V368 PolarHBondContact O-N 2.99Å; K365-V369 WeakPolarHBondContact O-CG2 3.36Å; K365-V369 PolarHBondContact O-N 3.4Å; K365-P634 WeakPolarHBondContact CE-O 3.4Å; K365-P634 PolarHBondContact NZ-O 3.43Å; K365-P634 VanDerWaalsContact NZ-O 3.11Å; K365-T635 HydrophobicContact CD-CG2 4.3Å; K365-T635 VanDerWaalsContact CE-CG2 3.42Å; K365-T635 HydrophobicContact CG-CG2 4.04Å
366	K	93.5	Very high	92.8	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-38.7	-178.2	-77.1	-178.4	168.1	178.9	0	112.6	V368 L370 T403 D405 L407 L643 F648	K366-V368 VanDerWaalsContact C-N 3.32Å; K366-V368 PolarHBondContact O-N 3.01Å; K366-L370 WeakPolarHBondContact O-CB 3.32Å; K366-L370 WeakPolarHBondContact O-CD1 3.16Å; K366-L370 VanDerWaalsContact O-CG 3.3Å; K366-L370 WeakPolarHBondContact O-CG 3.39Å; K366-L370 PolarHBondContact O-N 3.29Å; K366-T403 WeakPolarHBondContact CE-O 3.46Å; K366-T403 PolarHBondContact NZ-O 3.44Å; K366-D405 WeakPolarHBondContact CB-O 3.26Å; K366-D405 PolarHBondContact N-O 3.34Å; K366-L407 VanDerWaalsContact CE-CD2 3.49Å; K366-L407 HydrophobicContact CG-CD2 4.27Å; K366-L407 HydrophobicContact CG-CG 4.14Å; K366-L643 HydrophobicContact CB-CD1 4.07Å; K366-L643 HydrophobicContact CD-CD1 4.46Å; K366-F648 HydrophobicContact CB-CE2 4.14Å; K366-F648 HydrophobicContact CD-CD2 4.04Å; K366-F648 HydrophobicContact CD-CE2 4.03Å; K366-F648 HydrophobicContact CG-CD2 4.16Å; K366-F648 HydrophobicContact CG-CE2 3.74Å; K366-F648 HydrophobicContact CG-CZ 4.32Å
367	D	91.1	Very high	93.1	Very high	3 Å²	3	38 Å²	38	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-57.6	-44.8	175.5	53.1	-38.1	0	0	0	111.6	K365 Q371 D636 F639 V640	K365-D367 VanDerWaalsContact C-N 3.31Å; K365-D367 WeakPolarHBondContact CB-OD1 3.24Å; K365-D367 WeakPolarHBondContact CE-OD1 3.38Å; K365-D367 VanDerWaalsContact CE-OD2 3.26Å; K365-D367 WeakPolarHBondContact CE-OD2 3.32Å; K365-D367 IonicContact NZ-OD1 3.66Å; K365-D367 IonicContact NZ-OD2 2.83Å; K365-D367 PolarHBondContact NZ-OD2 2.92Å; K365-D367 PolarHBondContact O-N 3.31Å; D367-Q371 WeakPolarHBondContact O-CB 3.44Å; D367-Q371 WeakPolarHBondContact O-CG 3.46Å; D367-Q371 PolarHBondContact O-N 3.23Å; D367-D636 PolarHBondContact OD2-N 3.39Å; D367-F639 HydrophobicContact CB-CB 4.44Å; D367-F639 HydrophobicContact CB-CD1 3.6Å; D367-F639 HydrophobicContact CB-CE1 4.2Å; D367-F639 HydrophobicContact CB-CG 4.28Å; D367-V640 HydrophobicContact CB-CG2 4.41Å
368	V	91.7	Very high	93.2	Very high	27 Å²	27	35.7 Å²	35.7	16%	0.164	19%	0.189	C	C	.	.	H	α-helix	trans	-71.7	-47	-179.8	-175.7	0	0	0	0	111.1	F344 K365 K366 L370 Q371 D372	F344-V368 HydrophobicContact CD1-CG1 4.18Å; K365-V368 HydrophobicContact CB-CB 3.99Å; K365-V368 HydrophobicContact CB-CG2 3.69Å; K365-V368 HydrophobicContact CD-CG2 3.86Å; K365-V368 HydrophobicContact CG-CG2 4.42Å; K365-V368 PolarHBondContact O-N 2.99Å; K366-V368 VanDerWaalsContact C-N 3.32Å; K366-V368 PolarHBondContact O-N 3.01Å; V368-L370 PolarHBondContact O-N 2.7Å; V368-Q371 PolarHBondContact O-N 3.33Å; V368-Q371 VanDerWaalsContact O-N 3.13Å; V368-D372 PolarHBondContact O-N 2.83Å
369	V	92.2	Very high	93.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-57.5	-36.6	178.5	174.3	0	0	0	0	112	F344 L364 K365 D373 D374 V375 F648	F344-V369 HydrophobicContact CB-CG2 3.81Å; F344-V369 HydrophobicContact CG-CG2 4.14Å; L364-V369 HydrophobicContact CB-CG2 4.05Å; L364-V369 HydrophobicContact CD1-CG2 4.44Å; K365-V369 WeakPolarHBondContact O-CG2 3.36Å; K365-V369 PolarHBondContact O-N 3.4Å; V369-D373 PolarHBondContact O-N 2.91Å; V369-D374 HydrophobicContact CG1-CB 4.45Å; V369-D374 PolarHBondContact O-N 3.4Å; V369-V375 HydrophobicContact CG1-CG2 4.25Å; V369-F648 HydrophobicContact CB-CZ 4.35Å; V369-F648 HydrophobicContact CG1-CE1 3.93Å; V369-F648 HydrophobicContact CG1-CZ 3.9Å
370	L	91.3	Very high	93.2	Very high	42 Å²	42	35.6 Å²	35.6	22%	0.22	19%	0.188	C	C	.	.	H	α-helix	trans	-79.1	-33.6	177.8	-73.3	165.5	0	0	0	113.4	K366 V368 D372 D373 V375 F639 L643 E647 F648	K366-L370 WeakPolarHBondContact O-CB 3.32Å; K366-L370 WeakPolarHBondContact O-CD1 3.16Å; K366-L370 VanDerWaalsContact O-CG 3.3Å; K366-L370 WeakPolarHBondContact O-CG 3.39Å; K366-L370 PolarHBondContact O-N 3.29Å; V368-L370 PolarHBondContact O-N 2.7Å; L370-D372 VanDerWaalsContact C-N 3.31Å; L370-D373 PolarHBondContact O-N 2.78Å; L370-V375 HydrophobicContact CD2-CG2 3.5Å; L370-V375 VanDerWaalsContact CD2-CG2 3.5Å; L370-V375 HydrophobicContact CG-CG2 4.31Å; L370-F639 HydrophobicContact CB-CE1 3.99Å; L370-F639 HydrophobicContact CB-CZ 4.2Å; L370-F639 HydrophobicContact CD1-CE1 4.12Å; L370-L643 HydrophobicContact CD1-CD1 4Å; L370-L643 HydrophobicContact CD1-CD2 3.2Å; L370-L643 HydrophobicContact CD1-CG 4.21Å; L370-E647 HydrophobicContact CD2-CB 4.27Å; L370-E647 HydrophobicContact CD2-CG 4Å; L370-F648 HydrophobicContact CD1-CE2 4.1Å; L370-F648 HydrophobicContact CD2-CE2 4.38Å; L370-F648 HydrophobicContact CD2-CZ 4.32Å; L370-F648 HydrophobicContact CG-CE2 4.15Å; L370-F648 HydrophobicContact CG-CZ 4.09Å
371	Q	89.8	Confident	93.2	Very high	110 Å²	110	35.4 Å²	35.4	51%	0.514	19%	0.185	S	C	.	.	H	α-helix	trans	-66.9	-35.4	175.7	-78	169.8	4.3	0	0	111.8	D367 V368 F639	D367-Q371 WeakPolarHBondContact O-CB 3.44Å; D367-Q371 WeakPolarHBondContact O-CG 3.46Å; D367-Q371 PolarHBondContact O-N 3.23Å; V368-Q371 PolarHBondContact O-N 3.33Å; V368-Q371 VanDerWaalsContact O-N 3.13Å; Q371-F639 HydrophobicContact CG-CE2 4.27Å; Q371-F639 HydrophobicContact CG-CZ 4.12Å
372	D	89.5	Confident	93.1	Very high	83 Å²	83	37.2 Å²	37.2	44%	0.444	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-0	-179.6	-62.4	-15	0	0	0	113.1	F344 V368 L370 D374	F344-D372 HydrophobicContact CE1-CB 3.99Å; F344-D372 WeakPolarHBondContact CE1-OD2 3.47Å; V368-D372 PolarHBondContact O-N 2.83Å; L370-D372 VanDerWaalsContact C-N 3.31Å; D372-D374 VanDerWaalsContact C-N 3.29Å; D372-D374 WeakPolarHBondContact CB-OD2 3.2Å; D372-D374 PolarHBondContact O-N 2.78Å
373	D	88.7	Confident	93.1	Very high	142 Å²	142	40.2 Å²	40.2	76%	0.759	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	29.7	-178	-154.3	23.3	0	0	0	114.6	V369 L370	V369-D373 PolarHBondContact O-N 2.91Å; L370-D373 PolarHBondContact O-N 2.78Å
374	D	91.6	Very high	93.1	Very high	44 Å²	44	40 Å²	40	24%	0.235	20%	0.202	C	C	.	.			trans	-101.8	23.7	-171.8	-80.7	-50.9	0	0	0	114.2	F344 V369 D372 D376 C377 A378	F344-D374 HydrophobicContact CE1-CB 3.97Å; F344-D374 WeakPolarHBondContact CE1-OD2 3.39Å; F344-D374 HydrophobicContact CE2-CB 4.21Å; F344-D374 HydrophobicContact CZ-CB 3.72Å; F344-D374 VanDerWaalsContact CZ-CG 3.43Å; F344-D374 WeakPolarHBondContact CZ-OD2 3.33Å; V369-D374 HydrophobicContact CG1-CB 4.45Å; V369-D374 PolarHBondContact O-N 3.4Å; D372-D374 VanDerWaalsContact C-N 3.29Å; D372-D374 WeakPolarHBondContact CB-OD2 3.2Å; D372-D374 PolarHBondContact O-N 2.78Å; D374-D376 PolarHBondContact O-N 3.03Å; D374-C377 HydrophobicContact CB-CB 4.28Å; D374-C377 WeakPolarHBondContact O-CB 3.38Å; D374-C377 PolarHBondContact O-N 3.38Å; D374-A378 PolarHBondContact O-N 2.7Å
375	V	93.2	Very high	93.2	Very high	23 Å²	23	39.9 Å²	39.9	14%	0.139	20%	0.201	C	C	.	.	H	α-helix	trans	-57.8	-42.2	176.1	178	0	0	0	0	110.8	V369 L370 C377 A378 M379 E647 F648	V369-V375 HydrophobicContact CG1-CG2 4.25Å; L370-V375 HydrophobicContact CD2-CG2 3.5Å; L370-V375 VanDerWaalsContact CD2-CG2 3.5Å; L370-V375 HydrophobicContact CG-CG2 4.31Å; V375-C377 VanDerWaalsContact C-N 3.31Å; V375-C377 PolarHBondContact O-N 2.94Å; V375-A378 PolarHBondContact O-N 2.95Å; V375-M379 HydrophobicContact CG1-CG 4.24Å; V375-M379 WeakPolarHBondContact O-CG 3.47Å; V375-M379 PolarHBondContact O-N 3.39Å; V375-E647 HydrophobicContact CG1-CB 4.31Å; V375-F648 HydrophobicContact CB-CE1 4.24Å; V375-F648 HydrophobicContact CG1-CD1 4.09Å; V375-F648 HydrophobicContact CG1-CE1 3.8Å; V375-F648 HydrophobicContact CG1-CZ 4.49Å; V375-F648 HydrophobicContact CG2-CE1 3.98Å; V375-F648 HydrophobicContact CG2-CZ 3.95Å
376	D	92.7	Very high	93.3	Very high	120 Å²	120	38.6 Å²	38.6	64%	0.642	20%	0.198	S	C	*	.	H	α-helix	trans	-62.4	-37.5	179.4	-85.1	-14.9	0	0	0	112.1	D374 M379 I380	D374-D376 PolarHBondContact O-N 3.03Å; D376-M379 PolarHBondContact O-N 2.88Å; D376-I380 WeakPolarHBondContact O-CB 3.11Å; D376-I380 VanDerWaalsContact O-CG2 3.27Å; D376-I380 WeakPolarHBondContact O-CG2 3.1Å; D376-I380 PolarHBondContact O-N 2.76Å
377	C	93.3	Very high	93.3	Very high	29 Å²	29	40.5 Å²	40.5	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-44.8	175.3	-74.7	0	0	0	0	112	D374 V375 M379 I380 E381 G477	D374-C377 HydrophobicContact CB-CB 4.28Å; D374-C377 WeakPolarHBondContact O-CB 3.38Å; D374-C377 PolarHBondContact O-N 3.38Å; V375-C377 VanDerWaalsContact C-N 3.31Å; V375-C377 PolarHBondContact O-N 2.94Å; C377-M379 PolarHBondContact O-N 3.37Å; C377-I380 VanDerWaalsContact O-CG2 3.26Å; C377-I380 WeakPolarHBondContact O-CG2 3.22Å; C377-E381 WeakPolarHBondContact O-CB 3.34Å; C377-E381 PolarHBondContact O-N 3.23Å; C377-E381 VanDerWaalsContact O-N 3.1Å; C377-G477 WeakPolarHBondContact CA-O 3.48Å; C377-G477 WeakPolarHBondContact CB-O 3.48Å; C377-G477 PolarHBondContact SG-O 2.99Å
378	A	94	Very high	93.3	Very high	3 Å²	3	43.4 Å²	43.4	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-39.6	175.5	0	0	0	0	0	112	L364 D374 V375 R382 L407 F409	L364-A378 HydrophobicContact CD1-CB 4.16Å; D374-A378 PolarHBondContact O-N 2.7Å; V375-A378 PolarHBondContact O-N 2.95Å; A378-R382 WeakPolarHBondContact O-CB 3.36Å; A378-R382 PolarHBondContact O-N 3.1Å; A378-R382 VanDerWaalsContact O-N 3.16Å; A378-L407 HydrophobicContact CB-CD1 4.01Å; A378-F409 WeakPolarHBondContact O-CZ 3.36Å
379	M	95.2	Very high	93.2	Very high	25 Å²	25	52.4 Å²	52.4	12%	0.123	25%	0.252	C	S	.	.	H	α-helix	trans	-75.4	-34.9	-177.7	-68.7	-57.8	-69	0	0	113	V375 D376 C377 R383 S649 F651	V375-M379 HydrophobicContact CG1-CG 4.24Å; V375-M379 WeakPolarHBondContact O-CG 3.47Å; V375-M379 PolarHBondContact O-N 3.39Å; D376-M379 PolarHBondContact O-N 2.88Å; C377-M379 PolarHBondContact O-N 3.37Å; M379-R383 WeakPolarHBondContact O-CG 3.26Å; M379-R383 PolarHBondContact O-N 3.03Å; M379-R383 VanDerWaalsContact O-N 3.12Å; M379-R383 PolarHBondContact O-NH1 3.28Å; M379-S649 WeakPolarHBondContact CE-O 3.48Å; M379-F651 HydrophobicContact SD-CB 4.14Å; M379-F651 HydrophobicContact SD-CD2 4Å
380	I	95.5	Very high	93.3	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.036	26%	0.257	C	S	.	.	H	α-helix	trans	-68.2	-44.8	173.1	-173.1	60.1	0	0	0	110.8	D376 C377 R382 R383 V384 C479 D481	D376-I380 WeakPolarHBondContact O-CB 3.11Å; D376-I380 VanDerWaalsContact O-CG2 3.27Å; D376-I380 WeakPolarHBondContact O-CG2 3.1Å; D376-I380 PolarHBondContact O-N 2.76Å; C377-I380 VanDerWaalsContact O-CG2 3.26Å; C377-I380 WeakPolarHBondContact O-CG2 3.22Å; I380-R382 VanDerWaalsContact C-N 3.25Å; I380-R382 PolarHBondContact O-N 3.03Å; I380-R383 WeakPolarHBondContact O-CA 3.38Å; I380-R383 PolarHBondContact O-N 3.45Å; I380-V384 HydrophobicContact CD1-CG2 3.97Å; I380-V384 HydrophobicContact CG1-CG2 4.06Å; I380-V384 WeakPolarHBondContact O-CG2 3.41Å; I380-V384 PolarHBondContact O-N 3.48Å; I380-C479 HydrophobicContact CG1-CB 3.8Å; I380-D481 HydrophobicContact CD1-CB 3.71Å; I380-D481 WeakPolarHBondContact CD1-OD1 3.39Å; I380-D481 WeakPolarHBondContact CD1-OD2 3.46Å
381	E	96.4	Very high	93.4	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.028	25%	0.253	C	S	.	.	H	α-helix	trans	-54.9	-45.5	176.8	-179.1	166.1	-160.6	0	0	110.5	K362 C377 R383 V384 L385 F409 F476	K362-E381 IonicContact NZ-OE1 3.44Å; K362-E381 PolarHBondContact NZ-OE1 2.84Å; K362-E381 IonicContact NZ-OE2 3.52Å; K362-E381 PolarHBondContact NZ-OE2 3.22Å; C377-E381 WeakPolarHBondContact O-CB 3.34Å; C377-E381 PolarHBondContact O-N 3.23Å; C377-E381 VanDerWaalsContact O-N 3.1Å; E381-R383 PolarHBondContact O-N 3.25Å; E381-V384 PolarHBondContact O-N 2.95Å; E381-L385 HydrophobicContact CG-CD1 3.69Å; E381-L385 HydrophobicContact CG-CG 4.34Å; E381-L385 VanDerWaalsContact O-CB 3.23Å; E381-L385 WeakPolarHBondContact O-CB 3.24Å; E381-L385 WeakPolarHBondContact O-CG 3.16Å; E381-L385 PolarHBondContact O-N 2.99Å; E381-F409 HydrophobicContact CB-CE1 4.3Å; E381-F409 HydrophobicContact CB-CZ 4.27Å; E381-F409 HydrophobicContact CG-CE1 3.94Å; E381-F409 HydrophobicContact CG-CZ 4.15Å; E381-F476 HydrophobicContact CB-CB 4.5Å; E381-F476 HydrophobicContact CG-CB 4.18Å
382	R	95.3	Very high	93.7	Very high	39 Å²	39	49 Å²	49	15%	0.147	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-41.8	175.1	-173.6	-118.4	70	89.5	-5.1	112.8	A378 I380 A386 T400 F409 G650 F651	A378-R382 WeakPolarHBondContact O-CB 3.36Å; A378-R382 PolarHBondContact O-N 3.1Å; A378-R382 VanDerWaalsContact O-N 3.16Å; I380-R382 VanDerWaalsContact C-N 3.25Å; I380-R382 PolarHBondContact O-N 3.03Å; R382-A386 WeakPolarHBondContact O-CB 3.39Å; R382-A386 PolarHBondContact O-N 3.09Å; R382-T400 HydrophobicContact CG-CG2 4.05Å; R382-F409 HydrophobicContact CB-CE1 3.76Å; R382-F409 HydrophobicContact CB-CZ 4.27Å; R382-F409 HydrophobicContact CG-CE1 4.46Å; R382-G650 WeakPolarHBondContact CD-O 3.27Å; R382-F651 HydrophobicContact CB-CD2 4.4Å; R382-F651 HydrophobicContact CB-CE2 4.34Å; R382-F651 WeakPolarHBondContact CD-O 3.49Å; R382-F651 HydrophobicContact CG-CD2 4.31Å; R382-F651 HydrophobicContact CG-CE2 4.44Å
383	R	95.6	Very high	94.1	Very high	91 Å²	91	45 Å²	45	34%	0.343	22%	0.219	S	C	.	.	H	α-helix	trans	-66	-46.1	177.6	-72.9	-166	-58.9	-83.8	11.3	112	M379 I380 E381 A386 L387 D481	M379-R383 WeakPolarHBondContact O-CG 3.26Å; M379-R383 PolarHBondContact O-N 3.03Å; M379-R383 VanDerWaalsContact O-N 3.12Å; M379-R383 PolarHBondContact O-NH1 3.28Å; I380-R383 WeakPolarHBondContact O-CA 3.38Å; I380-R383 PolarHBondContact O-N 3.45Å; E381-R383 PolarHBondContact O-N 3.25Å; R383-A386 PolarHBondContact O-N 3.2Å; R383-L387 PolarHBondContact O-N 3.46Å; R383-D481 IonicContact CZ-OD2 4Å; R383-D481 IonicContact NE-OD2 2.78Å; R383-D481 PolarHBondContact NE-OD2 3.43Å; R383-D481 IonicContact NH2-OD1 3.52Å; R383-D481 PolarHBondContact NH2-OD1 2.81Å; R383-D481 IonicContact NH2-OD2 3.63Å; R383-D481 PolarHBondContact NH2-OD2 2.79Å
384	V	96.8	Very high	94.6	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-46.8	-178.4	178.8	0	0	0	0	111	I380 E381 A386 L387 L448 I453 F476 C479	I380-V384 HydrophobicContact CD1-CG2 3.97Å; I380-V384 HydrophobicContact CG1-CG2 4.06Å; I380-V384 WeakPolarHBondContact O-CG2 3.41Å; I380-V384 PolarHBondContact O-N 3.48Å; E381-V384 PolarHBondContact O-N 2.95Å; V384-A386 PolarHBondContact O-N 3.1Å; V384-L387 HydrophobicContact CG1-CD1 4.27Å; V384-L387 WeakPolarHBondContact O-CB 3.41Å; V384-L387 WeakPolarHBondContact O-CD1 3.37Å; V384-L387 VanDerWaalsContact O-CG 3.26Å; V384-L387 WeakPolarHBondContact O-CG 3.44Å; V384-L387 PolarHBondContact O-N 3.34Å; V384-L387 VanDerWaalsContact O-N 3.15Å; V384-L448 HydrophobicContact CG1-CD2 3.84Å; V384-I453 HydrophobicContact CG2-CD1 4.19Å; V384-I453 HydrophobicContact CG2-CG2 4.1Å; V384-F476 HydrophobicContact CB-CB 4.05Å; V384-F476 HydrophobicContact CB-CD1 4.44Å; V384-F476 HydrophobicContact CB-CG 4.3Å; V384-F476 HydrophobicContact CG1-CB 3.98Å; V384-F476 HydrophobicContact CG1-CD1 3.46Å; V384-F476 VanDerWaalsContact CG1-CD1 3.46Å; V384-F476 HydrophobicContact CG1-CE1 4.05Å; V384-F476 HydrophobicContact CG1-CG 3.74Å; V384-C479 HydrophobicContact CG2-CB 3.86Å
385	L	95.9	Very high	94.8	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-61.6	-31.4	178.2	-80.7	174.4	0	0	0	113	E381 K390 V395 L397 F409 M411 F476	E381-L385 HydrophobicContact CG-CD1 3.69Å; E381-L385 HydrophobicContact CG-CG 4.34Å; E381-L385 VanDerWaalsContact O-CB 3.23Å; E381-L385 WeakPolarHBondContact O-CB 3.24Å; E381-L385 WeakPolarHBondContact O-CG 3.16Å; E381-L385 PolarHBondContact O-N 2.99Å; L385-K390 PolarHBondContact O-NZ 2.89Å; L385-V395 HydrophobicContact CD2-CG1 4.48Å; L385-L397 HydrophobicContact CB-CB 3.99Å; L385-L397 HydrophobicContact CB-CD1 4.31Å; L385-L397 HydrophobicContact CB-CD2 3.93Å; L385-L397 HydrophobicContact CB-CG 4.3Å; L385-L397 HydrophobicContact CD1-CD1 4.25Å; L385-L397 WeakPolarHBondContact O-CB 3.42Å; L385-F409 HydrophobicContact CD1-CD1 3.76Å; L385-F409 HydrophobicContact CD1-CE1 4.16Å; L385-M411 HydrophobicContact CD1-SD 3.87Å; L385-M411 HydrophobicContact CD2-SD 4.4Å; L385-F476 HydrophobicContact CD2-CD2 3.54Å; L385-F476 HydrophobicContact CD2-CE2 3.59Å; L385-F476 HydrophobicContact CG-CD2 3.8Å; L385-F476 HydrophobicContact CG-CE2 4.34Å
386	A	95.1	Very high	94.9	Very high	11 Å²	11	37.6 Å²	37.6	9%	0.091	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-3	179.4	0	0	0	0	0	114.8	R382 R383 V384 Q388 L397 F653	R382-A386 WeakPolarHBondContact O-CB 3.39Å; R382-A386 PolarHBondContact O-N 3.09Å; R383-A386 PolarHBondContact O-N 3.2Å; V384-A386 PolarHBondContact O-N 3.1Å; A386-Q388 PolarHBondContact O-N 2.9Å; A386-Q388 PolarHBondContact O-NE2 3.49Å; A386-L397 HydrophobicContact CB-CD2 4.16Å; A386-F653 HydrophobicContact CB-CD1 3.93Å; A386-F653 HydrophobicContact CB-CE1 3.55Å; A386-F653 HydrophobicContact CB-CZ 3.97Å
387	L	94.4	Very high	95	Very high	40 Å²	40	31.9 Å²	31.9	21%	0.209	15%	0.146	C	C	.	.			trans	-56.2	140.2	174.6	-67.8	169	0	0	0	110.5	R383 V384 K390 F447 I453	R383-L387 PolarHBondContact O-N 3.46Å; V384-L387 HydrophobicContact CG1-CD1 4.27Å; V384-L387 WeakPolarHBondContact O-CB 3.41Å; V384-L387 WeakPolarHBondContact O-CD1 3.37Å; V384-L387 VanDerWaalsContact O-CG 3.26Å; V384-L387 WeakPolarHBondContact O-CG 3.44Å; V384-L387 PolarHBondContact O-N 3.34Å; V384-L387 VanDerWaalsContact O-N 3.15Å; L387-K390 HydrophobicContact CB-CD 4.17Å; L387-K390 HydrophobicContact CB-CG 4.05Å; L387-K390 WeakPolarHBondContact O-CD 3.36Å; L387-K390 VanDerWaalsContact O-CE 3.24Å; L387-K390 WeakPolarHBondContact O-CE 3.31Å; L387-K390 WeakPolarHBondContact O-CG 3.27Å; L387-F447 HydrophobicContact CB-CE1 4.31Å; L387-F447 HydrophobicContact CB-CZ 4.21Å; L387-F447 HydrophobicContact CD1-CE1 3.85Å; L387-F447 HydrophobicContact CD1-CZ 4.37Å; L387-I453 HydrophobicContact CD1-CD1 3.51Å
388	Q	91.4	Very high	95.1	Very high	64 Å²	64	31.8 Å²	31.8	30%	0.299	14%	0.143	S	C	.	.	S	Bend	trans	-91.5	157.9	179.7	-58.6	-62.1	-80.6	0	0	110.5	A386 K390 N655 E657	A386-Q388 PolarHBondContact O-N 2.9Å; A386-Q388 PolarHBondContact O-NE2 3.49Å; Q388-K390 VanDerWaalsContact C-N 3.26Å; Q388-K390 PolarHBondContact O-N 2.63Å; Q388-N655 PolarHBondContact NE2-OD1 2.77Å; Q388-E657 VanDerWaalsContact CA-OE2 3.27Å; Q388-E657 WeakPolarHBondContact CA-OE2 3.48Å; Q388-E657 WeakPolarHBondContact CB-OE2 3.26Å; Q388-E657 PolarHBondContact OE1-OE1 2.89Å; Q388-E657 PolarHBondContact OE1-OE2 2.77Å
389	R	89.9	Confident	95.1	Very high	217 Å²	217	31.6 Å²	31.6	82%	0.819	14%	0.141	S	C	*	.	S	Bend	trans	54.6	38.5	178.6	-53.6	179.9	180	-174.6	-3.8	113.8	F447 E657	R389-F447 WeakPolarHBondContact O-CE2 3.42Å; R389-E657 PolarHBondContact N-OE2 3.09Å
390	K	93	Very high	95.1	Very high	24 Å²	24	30.6 Å²	30.6	10%	0.104	14%	0.137	C	C	.	.			trans	-66.3	146.6	175.8	-69.6	-179	-68.2	167.2	0	110.4	L385 L387 Q388 L394 V395 F447	L385-K390 PolarHBondContact O-NZ 2.89Å; L387-K390 HydrophobicContact CB-CD 4.17Å; L387-K390 HydrophobicContact CB-CG 4.05Å; L387-K390 WeakPolarHBondContact O-CD 3.36Å; L387-K390 VanDerWaalsContact O-CE 3.24Å; L387-K390 WeakPolarHBondContact O-CE 3.31Å; L387-K390 WeakPolarHBondContact O-CG 3.27Å; Q388-K390 VanDerWaalsContact C-N 3.26Å; Q388-K390 PolarHBondContact O-N 2.63Å; K390-L394 HydrophobicContact CB-CD1 4.4Å; K390-L394 HydrophobicContact CD-CB 4.29Å; K390-L394 HydrophobicContact CD-CD1 4.16Å; K390-L394 HydrophobicContact CG-CD1 4.27Å; K390-V395 PolarHBondContact NZ-O 3.46Å; K390-F447 HydrophobicContact CB-CE1 4.4Å; K390-F447 HydrophobicContact CB-CZ 4.29Å; K390-F447 HydrophobicContact CG-CE1 3.72Å; K390-F447 HydrophobicContact CG-CZ 3.7Å
391	P	95	Very high	95.1	Very high	20 Å²	20	30.8 Å²	30.8	13%	0.13	14%	0.137	C	C	.	.			trans	-61.3	155.6	165.2	29.5	-35.3	0	0	0	109.3	F393 L394 V443 F447	P391-F393 HydrophobicContact CB-CD2 4.45Å; P391-F393 PolarHBondContact O-N 3.37Å; P391-L394 HydrophobicContact CG-CD1 4.42Å; P391-L394 HydrophobicContact CG-CG 4.27Å; P391-L394 PolarHBondContact O-N 2.9Å; P391-V443 HydrophobicContact CB-CG1 3.89Å; P391-V443 HydrophobicContact CG-CG1 4.45Å; P391-F447 VanDerWaalsContact CD-CD2 3.48Å; P391-F447 HydrophobicContact CG-CB 3.76Å; P391-F447 HydrophobicContact CG-CD1 4.5Å; P391-F447 HydrophobicContact CG-CD2 4.48Å; P391-F447 HydrophobicContact CG-CG 4.01Å
392	P	95.7	Very high	95	Very high	37 Å²	37	33.1 Å²	33.1	24%	0.24	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-6.8	-173.3	30.4	-37.6	0	0	0	113.6	K472 R602	P392-K472 WeakPolarHBondContact O-CD 3.2Å; P392-K472 VanDerWaalsContact O-CE 3.27Å; P392-K472 WeakPolarHBondContact O-CE 3.35Å; P392-K472 PolarHBondContact O-NZ 2.93Å; P392-R602 HydrophobicContact CB-CG 4.3Å; P392-R602 HydrophobicContact CG-CG 3.76Å
393	F	98.2	Very high	94.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-0.6	-177.7	-51.1	-53.2	0	0	0	115.2	P391 E440 V443 I471 K472 I473 I599 R602	P391-F393 HydrophobicContact CB-CD2 4.45Å; P391-F393 PolarHBondContact O-N 3.37Å; F393-E440 HydrophobicContact CD1-CB 3.87Å; F393-E440 HydrophobicContact CD1-CG 4.16Å; F393-E440 HydrophobicContact CD2-CB 4.21Å; F393-E440 WeakPolarHBondContact CD2-O 3.48Å; F393-E440 HydrophobicContact CE1-CB 3.79Å; F393-E440 HydrophobicContact CE1-CG 3.56Å; F393-E440 VanDerWaalsContact CE1-OE1 3.27Å; F393-E440 WeakPolarHBondContact CE1-OE1 3.4Å; F393-E440 HydrophobicContact CE2-CB 4.11Å; F393-E440 HydrophobicContact CE2-CG 4.19Å; F393-E440 HydrophobicContact CG-CB 4.07Å; F393-E440 HydrophobicContact CZ-CB 3.87Å; F393-E440 HydrophobicContact CZ-CG 3.55Å; F393-V443 HydrophobicContact CD2-CB 3.77Å; F393-V443 HydrophobicContact CD2-CG1 3.73Å; F393-V443 HydrophobicContact CE2-CB 3.84Å; F393-V443 HydrophobicContact CE2-CG1 3.83Å; F393-V443 HydrophobicContact CE2-CG2 4.28Å; F393-I471 VanDerWaalsContact CA-O 3.27Å; F393-I471 WeakPolarHBondContact CA-O 3.45Å; F393-I471 HydrophobicContact CD1-CB 4.47Å; F393-K472 CarbonylContact O-C 3.38Å; F393-K472 WeakPolarHBondContact O-CA 3.29Å; F393-I473 WeakPolarHBondContact O-CG1 3.43Å; F393-I473 PolarHBondContact O-N 2.66Å; F393-I599 HydrophobicContact CE2-CG2 4.08Å; F393-I599 HydrophobicContact CZ-CG2 4.01Å; F393-I599 WeakPolarHBondContact CZ-O 3.48Å; F393-R602 HydrophobicContact CE1-CG 4.03Å; F393-R602 HydrophobicContact CZ-CG 4.33Å
394	L	97.6	Very high	94.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-103.9	141.7	171.1	-57.1	-176.6	0	0	0	109	K390 P391 Q396 F447 L448 I473 F476	K390-L394 HydrophobicContact CB-CD1 4.4Å; K390-L394 HydrophobicContact CD-CB 4.29Å; K390-L394 HydrophobicContact CD-CD1 4.16Å; K390-L394 HydrophobicContact CG-CD1 4.27Å; P391-L394 HydrophobicContact CG-CD1 4.42Å; P391-L394 HydrophobicContact CG-CG 4.27Å; P391-L394 PolarHBondContact O-N 2.9Å; L394-Q396 PolarHBondContact O-N 3.41Å; L394-F447 HydrophobicContact CD1-CD1 3.64Å; L394-F447 HydrophobicContact CD1-CE1 3.98Å; L394-L448 HydrophobicContact CD1-CD2 4.03Å; L394-L448 HydrophobicContact CD1-CG 4.3Å; L394-I473 HydrophobicContact CD2-CB 3.79Å; L394-I473 HydrophobicContact CD2-CD1 3.8Å; L394-I473 HydrophobicContact CD2-CG1 4.1Å; L394-I473 HydrophobicContact CD2-CG2 4.43Å; L394-F476 HydrophobicContact CB-CZ 4.16Å; L394-F476 HydrophobicContact CD2-CE1 4.12Å; L394-F476 HydrophobicContact CD2-CZ 4.02Å
395	V	96.8	Very high	94.2	Very high	6 Å²	6	36.6 Å²	36.6	4%	0.036	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-57	134.3	174.7	169.7	0	0	0	0	110.8	L385 K390 M411 E412 V414 K472 I473 A474	L385-V395 HydrophobicContact CD2-CG1 4.48Å; K390-V395 PolarHBondContact NZ-O 3.46Å; V395-M411 HydrophobicContact CG1-CB 3.95Å; V395-M411 HydrophobicContact CG1-CG 4.32Å; V395-M411 HydrophobicContact CG1-SD 4.14Å; V395-E412 WeakPolarHBondContact CA-OE1 3.41Å; V395-E412 HydrophobicContact CG1-CG 4.03Å; V395-V414 HydrophobicContact CG2-CG2 4.35Å; V395-K472 HydrophobicContact CG2-CB 3.95Å; V395-I473 WeakPolarHBondContact CG2-O 3.38Å; V395-I473 PolarHBondContact N-O 3.17Å; V395-A474 HydrophobicContact CG2-CB 3.87Å
396	Q	95	Very high	94.1	Very high	46 Å²	46	37.3 Å²	37.3	22%	0.215	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-86.6	136.1	-179.9	-63.5	-68.1	71.5	0	0	111.6	L394 M411 E412 F658	L394-Q396 PolarHBondContact O-N 3.41Å; Q396-M411 VanDerWaalsContact O-CA 3.3Å; Q396-M411 WeakPolarHBondContact O-CA 3.27Å; Q396-M411 WeakPolarHBondContact O-CB 3.31Å; Q396-E412 HydrophobicContact CB-CB 4.33Å; Q396-E412 HydrophobicContact CB-CG 4.03Å; Q396-E412 WeakPolarHBondContact CB-OE1 3.19Å; Q396-E412 VanDerWaalsContact CG-OE1 3.26Å; Q396-E412 WeakPolarHBondContact CG-OE1 3.15Å; Q396-E412 PolarHBondContact N-OE1 3.05Å; Q396-E412 PolarHBondContact O-N 3.22Å; Q396-F658 HydrophobicContact CB-CD2 4.13Å; Q396-F658 HydrophobicContact CB-CE2 3.87Å
397	L	95.6	Very high	94.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.7	176.6	-175.5	70.4	0	0	0	109.6	L385 A386 S399 T400 F409 V410 M411 F653 N655 F658	L385-L397 HydrophobicContact CB-CB 3.99Å; L385-L397 HydrophobicContact CB-CD1 4.31Å; L385-L397 HydrophobicContact CB-CD2 3.93Å; L385-L397 HydrophobicContact CB-CG 4.3Å; L385-L397 HydrophobicContact CD1-CD1 4.25Å; L385-L397 WeakPolarHBondContact O-CB 3.42Å; A386-L397 HydrophobicContact CB-CD2 4.16Å; L397-S399 WeakPolarHBondContact CD1-O 3.35Å; L397-T400 HydrophobicContact CD1-CG2 4.01Å; L397-T400 HydrophobicContact CD2-CG2 4.16Å; L397-F409 HydrophobicContact CD1-CB 4.43Å; L397-F409 HydrophobicContact CD1-CD1 4.36Å; L397-V410 WeakPolarHBondContact CD1-O 3.44Å; L397-M411 HydrophobicContact CD1-CG 3.91Å; L397-F653 HydrophobicContact CD2-CD1 3.97Å; L397-F653 HydrophobicContact CD2-CE1 4.2Å; L397-N655 WeakPolarHBondContact O-CB 3.2Å; L397-N655 PolarHBondContact O-ND2 2.85Å; L397-F658 VanDerWaalsContact C-CD2 3.42Å; L397-F658 VanDerWaalsContact O-CD2 3.24Å; L397-F658 WeakPolarHBondContact O-CD2 3.3Å
398	H	93.8	Very high	94.2	Very high	27 Å²	27	35.1 Å²	35.1	13%	0.125	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-56.6	168.3	170.3	-84.4	0	0	0	109.9	Y359 V410 N655 F658	Y359-H398 HydrophobicContact CD1-CB 4.2Å; Y359-H398 HydrophobicContact CE1-CB 3.88Å; Y359-H398 AromaticContact CE1-CD2 3.76Å; Y359-H398 AromaticContact CE1-CG 3.8Å; H398-V410 HydrophobicContact CB-CB 4.36Å; H398-V410 HydrophobicContact CB-CG1 4.03Å; H398-V410 WeakPolarHBondContact CB-O 3.49Å; H398-V410 PolarHBondContact N-O 2.85Å; H398-N655 VanDerWaalsContact O-CB 3.31Å; H398-N655 WeakPolarHBondContact O-CB 2.92Å; H398-N655 PolarHBondContact O-N 2.86Å; H398-F658 VanDerWaalsContact CA-CD2 3.47Å; H398-F658 HydrophobicContact CB-CD1 3.92Å; H398-F658 HydrophobicContact CB-CD2 3.88Å; H398-F658 HydrophobicContact CB-CE1 3.87Å; H398-F658 HydrophobicContact CB-CE2 3.84Å; H398-F658 HydrophobicContact CB-CG 3.9Å; H398-F658 HydrophobicContact CB-CZ 3.83Å; H398-F658 AromaticContact CD2-CD1 3.51Å; H398-F658 AromaticContact CD2-CE1 3.78Å
399	S	94.8	Very high	94.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	167.5	-179.2	62.6	0	0	0	0	112.4	L397 V410 F653	L397-S399 WeakPolarHBondContact CD1-O 3.35Å; S399-V410 PolarHBondContact N-O 3.4Å; S399-V410 VanDerWaalsContact N-O 3.15Å; S399-V410 WeakPolarHBondContact O-CB 3.2Å; S399-V410 PolarHBondContact O-N 3.18Å; S399-F653 CarbonylContact C-O 3.53Å; S399-F653 WeakPolarHBondContact CA-O 3.36Å; S399-F653 VanDerWaalsContact CB-O 3.3Å; S399-F653 WeakPolarHBondContact CB-O 3.14Å
400	T	96.3	Very high	94.8	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.025	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.8	168.6	40.4	0	0	0	0	108.6	R382 L397 Y408 F409 F651 S652 F653	R382-T400 HydrophobicContact CG-CG2 4.05Å; L397-T400 HydrophobicContact CD1-CG2 4.01Å; L397-T400 HydrophobicContact CD2-CG2 4.16Å; T400-Y408 CarbonylContact C-O 3.58Å; T400-Y408 WeakPolarHBondContact CA-O 3.39Å; T400-F409 HydrophobicContact CG2-CB 4.3Å; T400-F409 HydrophobicContact CG2-CD1 3.39Å; T400-F409 HydrophobicContact CG2-CE1 3.9Å; T400-F409 HydrophobicContact CG2-CG 3.94Å; T400-F651 WeakPolarHBondContact CB-O 3.23Å; T400-F651 HydrophobicContact CG2-CE1 4.18Å; T400-F651 HydrophobicContact CG2-CZ 3.99Å; T400-F651 PolarHBondContact OG1-O 3.08Å; T400-S652 CarbonylContact O-C 3.46Å; T400-S652 VanDerWaalsContact O-CA 3.3Å; T400-S652 WeakPolarHBondContact O-CA 3.3Å; T400-F653 PolarHBondContact N-O 3.29Å; T400-F653 PolarHBondContact O-N 3.47Å; T400-F653 WeakPolarHBondContact OG1-CB 3.21Å; T400-F653 PolarHBondContact OG1-N 2.82Å; T400-F653 VanDerWaalsContact OG1-N 3.15Å; T400-F653 PolarHBondContact OG1-O 2.87Å
401	F	94.9	Very high	94.9	Very high	11 Å²	11	21.5 Å²	21.5	5%	0.048	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	163.8	174	65.3	-90.7	0	0	0	110.3	V328 A330 F333 Y408 V410 F651	V328-F401 HydrophobicContact CB-CD1 4.26Å; V328-F401 HydrophobicContact CG1-CD1 3.79Å; V328-F401 HydrophobicContact CG1-CE1 3.85Å; V328-F401 WeakPolarHBondContact O-CG 3.46Å; A330-F401 HydrophobicContact CB-CE2 3.94Å; A330-F401 HydrophobicContact CB-CZ 4.18Å; F333-F401 HydrophobicContact CD2-CE1 4.49Å; F333-F401 HydrophobicContact CD2-CZ 4.46Å; F333-F401 AromaticContact CE2-CE1 3.86Å; F333-F401 HydrophobicContact CE2-CE1 3.86Å; F333-F401 HydrophobicContact CE2-CZ 4.25Å; F401-Y408 AromaticContact CD2-CD2 3.75Å; F401-Y408 HydrophobicContact CD2-CD2 3.75Å; F401-Y408 HydrophobicContact CD2-CE2 4.47Å; F401-Y408 AromaticContact CD2-CG 3.97Å; F401-Y408 HydrophobicContact CD2-CG 3.97Å; F401-Y408 HydrophobicContact CE1-CD1 4.46Å; F401-Y408 HydrophobicContact CE1-CG 4.11Å; F401-Y408 AromaticContact CE2-CD1 3.79Å; F401-Y408 HydrophobicContact CE2-CD1 3.79Å; F401-Y408 AromaticContact CE2-CD2 3.32Å; F401-Y408 HydrophobicContact CE2-CD2 3.32Å; F401-Y408 HydrophobicContact CE2-CE1 4.28Å; F401-Y408 AromaticContact CE2-CE2 3.86Å; F401-Y408 HydrophobicContact CE2-CE2 3.86Å; F401-Y408 AromaticContact CE2-CG 3.3Å; F401-Y408 HydrophobicContact CE2-CG 3.3Å; F401-Y408 VanDerWaalsContact CZ-CB 3.45Å; F401-Y408 AromaticContact CZ-CD1 3.58Å; F401-Y408 HydrophobicContact CZ-CD1 3.58Å; F401-Y408 AromaticContact CZ-CD2 3.94Å; F401-Y408 HydrophobicContact CZ-CD2 3.94Å; F401-Y408 HydrophobicContact CZ-CE1 4.3Å; F401-Y408 AromaticContact CZ-CG 3.39Å; F401-Y408 HydrophobicContact CZ-CG 3.39Å; F401-Y408 PolarHBondContact N-O 3.08Å; F401-Y408 WeakPolarHBondContact O-CB 3.41Å; F401-Y408 PolarHBondContact O-N 3.38Å; F401-V410 HydrophobicContact CD1-CG2 4.15Å; F401-V410 HydrophobicContact CE1-CG2 3.62Å; F401-F651 VanDerWaalsContact O-CE1 3.28Å; F401-F651 WeakPolarHBondContact O-CE1 3.49Å
402	Q	93.5	Very high	95	Very high	55 Å²	55	22.4 Å²	22.4	26%	0.257	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.3	-178	62.2	-177.7	-57.7	0	0	111.8	R406 L407 F648 F651	Q402-R406 WeakPolarHBondContact CA-O 3.32Å; Q402-R406 WeakPolarHBondContact CB-O 3.16Å; Q402-L407 HydrophobicContact CB-CD2 3.73Å; Q402-F648 PolarHBondContact NE2-O 3.31Å; Q402-F651 HydrophobicContact CB-CD1 4.12Å
403	T	91.4	Very high	94.9	Very high	48 Å²	48	22 Å²	22	29%	0.294	11%	0.108	S	C	.	.			trans	-105	-177.3	166.7	58.4	0	0	0	0	109.2	K366 D405 R406 Y408	K366-T403 WeakPolarHBondContact CE-O 3.46Å; K366-T403 PolarHBondContact NZ-O 3.44Å; T403-D405 PolarHBondContact O-N 3.36Å; T403-D405 PolarHBondContact OG1-OD1 3.38Å; T403-R406 PolarHBondContact N-O 3.26Å; T403-R406 WeakPolarHBondContact OG1-CB 2.93Å; T403-R406 PolarHBondContact OG1-N 3Å; T403-R406 VanDerWaalsContact OG1-N 3.12Å; T403-Y408 HydrophobicContact CG2-CE2 3.82Å
404	M	87.6	Confident	94.8	Very high	120 Å²	120	22.4 Å²	22.4	59%	0.591	11%	0.111	S	C	*	.	S	Bend	trans	-57.9	-31.3	173.8	-72.3	-61.1	-65.1	0	0	112.7	V640 Q645	M404-V640 HydrophobicContact CB-CG1 4.47Å; M404-V640 WeakPolarHBondContact O-CG1 3.39Å; M404-Q645 HydrophobicContact CE-CG 4.23Å; M404-Q645 PolarHBondContact O-NE2 2.85Å
405	D	91.6	Very high	94.5	Very high	37 Å²	37	23.2 Å²	23.2	20%	0.198	12%	0.115	C	C	.	.	S	Bend	trans	-115.8	-11	-170.1	68.9	-36.1	0	0	0	114.8	K366 T403 T635 V640	K366-D405 WeakPolarHBondContact CB-O 3.26Å; K366-D405 PolarHBondContact N-O 3.34Å; T403-D405 PolarHBondContact O-N 3.36Å; T403-D405 PolarHBondContact OG1-OD1 3.38Å; D405-T635 HydrophobicContact CB-CG2 4.09Å; D405-T635 PolarHBondContact OD2-OG1 3.39Å; D405-V640 HydrophobicContact CB-CG1 3.82Å; D405-V640 HydrophobicContact CB-CG2 3.9Å
406	R	94.5	Very high	94.3	Very high	16 Å²	16	23 Å²	23	6%	0.06	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	159.2	-170.6	-65.6	168.3	-160.4	-86.2	-1.7	114.3	I363 L364 Q402 T403 Y408 S633	I363-R406 HydrophobicContact CG2-CB 4.41Å; I363-R406 HydrophobicContact CG2-CG 4.46Å; L364-R406 WeakPolarHBondContact O-CA 3.47Å; L364-R406 WeakPolarHBondContact O-CB 3.3Å; Q402-R406 WeakPolarHBondContact CA-O 3.32Å; Q402-R406 WeakPolarHBondContact CB-O 3.16Å; T403-R406 PolarHBondContact N-O 3.26Å; T403-R406 WeakPolarHBondContact OG1-CB 2.93Å; T403-R406 PolarHBondContact OG1-N 3Å; T403-R406 VanDerWaalsContact OG1-N 3.12Å; R406-Y408 HydrophobicContact CB-CD2 4.28Å; R406-Y408 HydrophobicContact CB-CE2 3.55Å; R406-Y408 WeakPolarHBondContact CD-OH 3.27Å; R406-S633 PolarHBondContact NH1-O 3.22Å; R406-S633 PolarHBondContact NH2-O 2.95Å
407	L	95.3	Very high	94.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.7	170.1	-54.7	176.9	0	0	0	109.4	I363 L364 K366 A378 Q402 F648 F651	I363-L407 WeakPolarHBondContact CA-O 3.37Å; L364-L407 HydrophobicContact CB-CB 4.24Å; L364-L407 PolarHBondContact N-O 3.11Å; L364-L407 PolarHBondContact O-N 2.87Å; K366-L407 VanDerWaalsContact CE-CD2 3.49Å; K366-L407 HydrophobicContact CG-CD2 4.27Å; K366-L407 HydrophobicContact CG-CG 4.14Å; A378-L407 HydrophobicContact CB-CD1 4.01Å; Q402-L407 HydrophobicContact CB-CD2 3.73Å; L407-F648 HydrophobicContact CD1-CD1 3.58Å; L407-F648 HydrophobicContact CD1-CE1 3.56Å; L407-F648 HydrophobicContact CD1-CG 4.25Å; L407-F648 HydrophobicContact CD1-CZ 4.19Å; L407-F648 HydrophobicContact CD2-CB 4.07Å; L407-F648 HydrophobicContact CD2-CD1 4.05Å; L407-F648 HydrophobicContact CD2-CD2 4.36Å; L407-F648 HydrophobicContact CD2-CG 3.89Å; L407-F648 HydrophobicContact CG-CD1 4.38Å; L407-F651 HydrophobicContact CB-CE1 3.9Å; L407-F651 HydrophobicContact CB-CE2 4.05Å; L407-F651 HydrophobicContact CB-CZ 3.63Å; L407-F651 HydrophobicContact CD1-CD2 4.28Å; L407-F651 HydrophobicContact CD1-CE2 4.04Å; L407-F651 HydrophobicContact CD1-CZ 4.47Å; L407-F651 HydrophobicContact CD2-CD1 3.95Å; L407-F651 HydrophobicContact CD2-CD2 4.18Å; L407-F651 HydrophobicContact CD2-CE1 4.14Å; L407-F651 HydrophobicContact CD2-CE2 4.35Å; L407-F651 HydrophobicContact CD2-CG 3.99Å; L407-F651 HydrophobicContact CD2-CZ 4.36Å; L407-F651 HydrophobicContact CG-CE2 4.38Å; L407-F651 HydrophobicContact CG-CZ 4.37Å
408	Y	96.6	Very high	94.2	Very high	6 Å²	6	22.8 Å²	22.8	2%	0.024	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.9	-178.2	-63.6	-104.2	0	0	0	110.2	A330 F335 V361 K362 I363 T400 F401 T403 R406 F651	A330-Y408 HydrophobicContact CB-CE1 4Å; F335-Y408 HydrophobicContact CZ-CE1 4.3Å; V361-Y408 HydrophobicContact CG1-CD1 3.97Å; K362-Y408 WeakPolarHBondContact O-CA 3.29Å; I363-Y408 HydrophobicContact CB-CD1 4.4Å; I363-Y408 HydrophobicContact CB-CE1 4.38Å; I363-Y408 HydrophobicContact CD1-CD1 4.13Å; I363-Y408 HydrophobicContact CD1-CE1 3.9Å; I363-Y408 HydrophobicContact CG1-CD1 3.64Å; I363-Y408 HydrophobicContact CG1-CE1 3.8Å; I363-Y408 HydrophobicContact CG2-CD1 4.09Å; I363-Y408 HydrophobicContact CG2-CE1 3.71Å; T400-Y408 CarbonylContact C-O 3.58Å; T400-Y408 WeakPolarHBondContact CA-O 3.39Å; F401-Y408 AromaticContact CD2-CD2 3.75Å; F401-Y408 HydrophobicContact CD2-CD2 3.75Å; F401-Y408 HydrophobicContact CD2-CE2 4.47Å; F401-Y408 AromaticContact CD2-CG 3.97Å; F401-Y408 HydrophobicContact CD2-CG 3.97Å; F401-Y408 HydrophobicContact CE1-CD1 4.46Å; F401-Y408 HydrophobicContact CE1-CG 4.11Å; F401-Y408 AromaticContact CE2-CD1 3.79Å; F401-Y408 HydrophobicContact CE2-CD1 3.79Å; F401-Y408 AromaticContact CE2-CD2 3.32Å; F401-Y408 HydrophobicContact CE2-CD2 3.32Å; F401-Y408 HydrophobicContact CE2-CE1 4.28Å; F401-Y408 AromaticContact CE2-CE2 3.86Å; F401-Y408 HydrophobicContact CE2-CE2 3.86Å; F401-Y408 AromaticContact CE2-CG 3.3Å; F401-Y408 HydrophobicContact CE2-CG 3.3Å; F401-Y408 VanDerWaalsContact CZ-CB 3.45Å; F401-Y408 AromaticContact CZ-CD1 3.58Å; F401-Y408 HydrophobicContact CZ-CD1 3.58Å; F401-Y408 AromaticContact CZ-CD2 3.94Å; F401-Y408 HydrophobicContact CZ-CD2 3.94Å; F401-Y408 HydrophobicContact CZ-CE1 4.3Å; F401-Y408 AromaticContact CZ-CG 3.39Å; F401-Y408 HydrophobicContact CZ-CG 3.39Å; F401-Y408 PolarHBondContact N-O 3.08Å; F401-Y408 WeakPolarHBondContact O-CB 3.41Å; F401-Y408 PolarHBondContact O-N 3.38Å; T403-Y408 HydrophobicContact CG2-CE2 3.82Å; R406-Y408 HydrophobicContact CB-CD2 4.28Å; R406-Y408 HydrophobicContact CB-CE2 3.55Å; R406-Y408 WeakPolarHBondContact CD-OH 3.27Å; Y408-F651 WeakPolarHBondContact O-CE1 3.32Å
409	F	96.9	Very high	94.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.7	165.8	-60.8	-103.5	0	0	0	108.6	V361 K362 L364 A378 E381 R382 L385 L397 T400 M411 F651	V361-F409 CarbonylContact C-O 3.33Å; V361-F409 VanDerWaalsContact CA-O 3.23Å; V361-F409 WeakPolarHBondContact CA-O 3.42Å; K362-F409 HydrophobicContact CB-CB 4.15Å; K362-F409 HydrophobicContact CB-CD2 4.39Å; K362-F409 PolarHBondContact N-O 3.49Å; K362-F409 PolarHBondContact O-N 2.88Å; L364-F409 HydrophobicContact CD1-CE2 3.85Å; L364-F409 HydrophobicContact CG-CE2 4.4Å; A378-F409 WeakPolarHBondContact O-CZ 3.36Å; E381-F409 HydrophobicContact CB-CE1 4.3Å; E381-F409 HydrophobicContact CB-CZ 4.27Å; E381-F409 HydrophobicContact CG-CE1 3.94Å; E381-F409 HydrophobicContact CG-CZ 4.15Å; R382-F409 HydrophobicContact CB-CE1 3.76Å; R382-F409 HydrophobicContact CB-CZ 4.27Å; R382-F409 HydrophobicContact CG-CE1 4.46Å; L385-F409 HydrophobicContact CD1-CD1 3.76Å; L385-F409 HydrophobicContact CD1-CE1 4.16Å; L397-F409 HydrophobicContact CD1-CB 4.43Å; L397-F409 HydrophobicContact CD1-CD1 4.36Å; T400-F409 HydrophobicContact CG2-CB 4.3Å; T400-F409 HydrophobicContact CG2-CD1 3.39Å; T400-F409 HydrophobicContact CG2-CE1 3.9Å; T400-F409 HydrophobicContact CG2-CG 3.94Å; F409-M411 HydrophobicContact CB-CE 4.36Å; F409-M411 HydrophobicContact CB-CG 4.3Å; F409-M411 HydrophobicContact CB-SD 4.28Å; F409-F651 HydrophobicContact CD1-CZ 4.45Å; F409-F651 HydrophobicContact CD2-CE2 4.47Å; F409-F651 AromaticContact CD2-CZ 3.95Å; F409-F651 HydrophobicContact CD2-CZ 3.95Å; F409-F651 HydrophobicContact CE1-CE2 4.01Å; F409-F651 HydrophobicContact CE1-CZ 4.14Å; F409-F651 AromaticContact CE2-CE2 3.67Å; F409-F651 HydrophobicContact CE2-CE2 3.67Å; F409-F651 AromaticContact CE2-CZ 3.58Å; F409-F651 HydrophobicContact CE2-CZ 3.58Å; F409-F651 HydrophobicContact CG-CZ 4.37Å; F409-F651 AromaticContact CZ-CE2 3.42Å; F409-F651 HydrophobicContact CZ-CE2 3.42Å; F409-F651 VanDerWaalsContact CZ-CE2 3.42Å; F409-F651 AromaticContact CZ-CZ 3.71Å; F409-F651 HydrophobicContact CZ-CZ 3.71Å
410	V	96.7	Very high	94.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	111.7	174.3	-173	0	0	0	0	107.5	F333 Y359 V361 L397 H398 S399 F401	F333-V410 HydrophobicContact CE1-CG1 3.97Å; F333-V410 HydrophobicContact CE2-CG2 4.05Å; F333-V410 HydrophobicContact CZ-CB 4.48Å; F333-V410 HydrophobicContact CZ-CG1 3.84Å; F333-V410 HydrophobicContact CZ-CG2 3.8Å; Y359-V410 HydrophobicContact CD1-CG1 3.59Å; Y359-V410 HydrophobicContact CD2-CG1 4.42Å; Y359-V410 HydrophobicContact CE1-CG1 4.26Å; Y359-V410 HydrophobicContact CG-CG1 3.68Å; V361-V410 HydrophobicContact CG1-CG2 4.48Å; L397-V410 WeakPolarHBondContact CD1-O 3.44Å; H398-V410 HydrophobicContact CB-CB 4.36Å; H398-V410 HydrophobicContact CB-CG1 4.03Å; H398-V410 WeakPolarHBondContact CB-O 3.49Å; H398-V410 PolarHBondContact N-O 2.85Å; S399-V410 PolarHBondContact N-O 3.4Å; S399-V410 VanDerWaalsContact N-O 3.15Å; S399-V410 WeakPolarHBondContact O-CB 3.2Å; S399-V410 PolarHBondContact O-N 3.18Å; F401-V410 HydrophobicContact CD1-CG2 4.15Å; F401-V410 HydrophobicContact CE1-CG2 3.62Å
411	M	96.2	Very high	94.2	Very high	19 Å²	19	25.4 Å²	25.4	9%	0.094	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	165.2	-173.9	-60.1	171.9	-64.6	0	0	110.6	Y359 A360 K362 L385 V395 Q396 L397 F409	Y359-M411 WeakPolarHBondContact CA-O 3.46Å; Y359-M411 WeakPolarHBondContact CB-O 3.36Å; A360-M411 PolarHBondContact N-O 2.88Å; A360-M411 PolarHBondContact O-N 3.39Å; K362-M411 HydrophobicContact CB-CE 3.72Å; L385-M411 HydrophobicContact CD1-SD 3.87Å; L385-M411 HydrophobicContact CD2-SD 4.4Å; V395-M411 HydrophobicContact CG1-CB 3.95Å; V395-M411 HydrophobicContact CG1-CG 4.32Å; V395-M411 HydrophobicContact CG1-SD 4.14Å; Q396-M411 VanDerWaalsContact O-CA 3.3Å; Q396-M411 WeakPolarHBondContact O-CA 3.27Å; Q396-M411 WeakPolarHBondContact O-CB 3.31Å; L397-M411 HydrophobicContact CD1-CG 3.91Å; F409-M411 HydrophobicContact CB-CE 4.36Å; F409-M411 HydrophobicContact CB-CG 4.3Å; F409-M411 HydrophobicContact CB-SD 4.28Å
412	E	95.3	Very high	94.1	Very high	38 Å²	38	26.1 Å²	26.1	18%	0.178	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	143.2	168.9	64.3	175.4	135.3	0	0	111.1	V395 Q396 V414 K472 F658	V395-E412 WeakPolarHBondContact CA-OE1 3.41Å; V395-E412 HydrophobicContact CG1-CG 4.03Å; Q396-E412 HydrophobicContact CB-CB 4.33Å; Q396-E412 HydrophobicContact CB-CG 4.03Å; Q396-E412 WeakPolarHBondContact CB-OE1 3.19Å; Q396-E412 VanDerWaalsContact CG-OE1 3.26Å; Q396-E412 WeakPolarHBondContact CG-OE1 3.15Å; Q396-E412 PolarHBondContact N-OE1 3.05Å; Q396-E412 PolarHBondContact O-N 3.22Å; E412-V414 HydrophobicContact CG-CG2 3.91Å; E412-K472 VanDerWaalsContact CD-NZ 3.33Å; E412-K472 WeakPolarHBondContact OE1-CE 3.31Å; E412-K472 IonicContact OE1-NZ 2.71Å; E412-K472 PolarHBondContact OE1-NZ 3.23Å; E412-K472 VanDerWaalsContact OE2-CE 3.3Å; E412-K472 WeakPolarHBondContact OE2-CE 3.41Å; E412-K472 IonicContact OE2-NZ 2.75Å; E412-K472 PolarHBondContact OE2-NZ 3.07Å; E412-F658 HydrophobicContact CB-CE2 4.35Å; E412-F658 HydrophobicContact CB-CZ 4.39Å
413	F	95.4	Very high	94.1	Very high	30 Å²	30	23.8 Å²	23.8	13%	0.132	12%	0.117	C	C	.	.			trans	-88	110.3	173.5	174.9	-127	0	0	0	110.1	L339 L349 L358 A360 N415 P615 T618 F621	L339-F413 HydrophobicContact CD1-CD2 3.78Å; L339-F413 HydrophobicContact CD1-CE2 3.58Å; L339-F413 HydrophobicContact CD2-CE2 3.96Å; L339-F413 HydrophobicContact CG-CE2 4.43Å; L349-F413 HydrophobicContact CD1-CB 4.39Å; L349-F413 HydrophobicContact CD1-CD1 3.76Å; L349-F413 HydrophobicContact CD1-CD2 3.81Å; L349-F413 HydrophobicContact CD1-CE1 3.91Å; L349-F413 HydrophobicContact CD1-CE2 3.98Å; L349-F413 HydrophobicContact CD1-CG 3.71Å; L349-F413 HydrophobicContact CD1-CZ 4.03Å; L349-F413 HydrophobicContact CD2-CZ 4.42Å; L358-F413 HydrophobicContact CB-CB 4.43Å; L358-F413 HydrophobicContact CB-CD1 4.33Å; L358-F413 HydrophobicContact CD1-CD1 4.48Å; A360-F413 HydrophobicContact CB-CD2 4.49Å; F413-N415 HydrophobicContact CD1-CB 4.13Å; F413-N415 HydrophobicContact CE1-CB 3.51Å; F413-N415 HydrophobicContact CE2-CB 4.39Å; F413-N415 HydrophobicContact CZ-CB 3.66Å; F413-P615 WeakPolarHBondContact CE1-O 3.48Å; F413-T618 HydrophobicContact CZ-CG2 4.27Å; F413-F621 HydrophobicContact CD2-CZ 4.46Å; F413-F621 HydrophobicContact CE2-CE1 4.48Å; F413-F621 AromaticContact CE2-CE2 3.78Å; F413-F621 HydrophobicContact CE2-CE2 3.78Å; F413-F621 AromaticContact CE2-CZ 3.49Å; F413-F621 HydrophobicContact CE2-CZ 3.49Å; F413-F621 VanDerWaalsContact CE2-CZ 3.49Å; F413-F621 AromaticContact CZ-CE2 3.84Å; F413-F621 HydrophobicContact CZ-CE2 3.84Å; F413-F621 HydrophobicContact CZ-CZ 4.04Å
414	V	95.2	Very high	94.2	Very high	8 Å²	8	28 Å²	28	5%	0.048	13%	0.134	C	C	.	.			trans	-98.3	108.9	179.6	-176.1	0	0	0	0	108.9	V395 E412 L464 L465 D466 K472 F621	V395-V414 HydrophobicContact CG2-CG2 4.35Å; E412-V414 HydrophobicContact CG-CG2 3.91Å; V414-L464 HydrophobicContact CB-CB 4.25Å; V414-L464 HydrophobicContact CB-CD1 4.03Å; V414-L464 HydrophobicContact CG1-CB 3.58Å; V414-L464 HydrophobicContact CG1-CD1 4.29Å; V414-L464 HydrophobicContact CG2-CD1 4.49Å; V414-L465 WeakPolarHBondContact CG1-O 3.25Å; V414-D466 HydrophobicContact CG1-CB 4.35Å; V414-K472 HydrophobicContact CG1-CB 4.01Å; V414-K472 HydrophobicContact CG1-CG 3.94Å; V414-K472 HydrophobicContact CG2-CB 4.02Å; V414-K472 HydrophobicContact CG2-CG 3.88Å; V414-F621 VanDerWaalsContact O-CZ 3.25Å; V414-F621 WeakPolarHBondContact O-CZ 3.06Å
415	N	91.8	Very high	94.4	Very high	17 Å²	17	28.1 Å²	28.1	9%	0.091	13%	0.131	C	C	.	.			trans	-104.4	0.7	-162	67.3	-9.5	0	0	0	116.1	F413 G417 A467 N620	F413-N415 HydrophobicContact CD1-CB 4.13Å; F413-N415 HydrophobicContact CE1-CB 3.51Å; F413-N415 HydrophobicContact CE2-CB 4.39Å; F413-N415 HydrophobicContact CZ-CB 3.66Å; N415-G417 VanDerWaalsContact C-N 3.31Å; N415-G417 PolarHBondContact O-N 2.99Å; N415-A467 PolarHBondContact OD1-N 3.12Å; N415-N620 PolarHBondContact O-ND2 3.21Å; N415-N620 VanDerWaalsContact O-ND2 3.13Å
416	G	93.2	Very high	94.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-84.1	0.9	-177.1	0	0	0	0	0	115.2	L465	G416-L465 WeakPolarHBondContact CA-O 3.41Å; G416-L465 PolarHBondContact N-O 3.28Å
417	G	93.5	Very high	94.5	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.021	16%	0.159	C	C	.	.			trans	79.1	-161.6	-173.4	0	0	0	0	0	112	N415 L464 L465 N620	N415-G417 VanDerWaalsContact C-N 3.31Å; N415-G417 PolarHBondContact O-N 2.99Å; G417-L464 CarbonylContact O-C 3.52Å; G417-L464 VanDerWaalsContact O-CA 3.28Å; G417-L464 WeakPolarHBondContact O-CA 3.16Å; G417-L465 PolarHBondContact O-N 3.06Å; G417-N620 WeakPolarHBondContact CA-O 3.45Å
418	D	94.8	Very high	94.6	Very high	40 Å²	40	36 Å²	36	21%	0.214	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-116	163.6	179.9	57.8	69.9	0	0	0	112.4	M420 F421 R422 L463 L464	D418-M420 VanDerWaalsContact C-N 3.26Å; D418-M420 PolarHBondContact O-N 3.2Å; D418-M420 WeakPolarHBondContact OD1-CA 3.43Å; D418-M420 VanDerWaalsContact OD1-CB 3.28Å; D418-M420 WeakPolarHBondContact OD1-CB 3.45Å; D418-M420 PolarHBondContact OD1-N 3.13Å; D418-F421 WeakPolarHBondContact OD1-CB 3.4Å; D418-F421 PolarHBondContact OD1-N 3.32Å; D418-R422 WeakPolarHBondContact O-CG 3.32Å; D418-R422 PolarHBondContact O-N 3.46Å; D418-L463 WeakPolarHBondContact CA-O 3.43Å; D418-L464 HydrophobicContact CB-CD2 3.94Å
419	L	96.4	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67	-25	178.2	-74.1	-168.2	0	0	0	113.5	R422 I423 F429 Y437 L460 L463 L465 I471 M525	L419-R422 WeakPolarHBondContact O-CB 3.38Å; L419-R422 PolarHBondContact O-N 3.45Å; L419-I423 PolarHBondContact O-N 2.83Å; L419-F429 HydrophobicContact CD2-CE2 4.3Å; L419-F429 HydrophobicContact CD2-CZ 4.29Å; L419-Y437 HydrophobicContact CD1-CD2 4.47Å; L419-Y437 HydrophobicContact CD1-CG 4.24Å; L419-Y437 HydrophobicContact CD2-CD1 4.36Å; L419-Y437 HydrophobicContact CD2-CD2 4.01Å; L419-Y437 HydrophobicContact CD2-CE1 4.29Å; L419-Y437 HydrophobicContact CD2-CE2 3.93Å; L419-Y437 HydrophobicContact CD2-CG 4.23Å; L419-L460 HydrophobicContact CB-CB 4.35Å; L419-L460 HydrophobicContact CB-CD2 3.91Å; L419-L460 HydrophobicContact CD1-CD2 4.21Å; L419-L460 PolarHBondContact N-O 2.96Å; L419-L463 HydrophobicContact CB-CB 4.3Å; L419-L463 HydrophobicContact CD1-CB 3.99Å; L419-L463 HydrophobicContact CD1-CD1 3.77Å; L419-L463 HydrophobicContact CG-CB 4.01Å; L419-L463 PolarHBondContact N-O 3.4Å; L419-L465 HydrophobicContact CD2-CD1 4.07Å; L419-L465 HydrophobicContact CD2-CD2 3.84Å; L419-L465 HydrophobicContact CD2-CG 4.08Å; L419-I471 HydrophobicContact CD1-CD1 3.64Å; L419-I471 HydrophobicContact CD2-CD1 4.21Å; L419-I471 HydrophobicContact CG-CD1 3.9Å; L419-M525 HydrophobicContact CD1-SD 4.28Å
420	M	94.6	Very high	94.5	Very high	29 Å²	29	40.3 Å²	40.3	14%	0.143	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-50.9	178.7	176.8	57.4	81.5	0	0	109.8	D418 R422 I423 Q424 L460	D418-M420 VanDerWaalsContact C-N 3.26Å; D418-M420 PolarHBondContact O-N 3.2Å; D418-M420 WeakPolarHBondContact OD1-CA 3.43Å; D418-M420 VanDerWaalsContact OD1-CB 3.28Å; D418-M420 WeakPolarHBondContact OD1-CB 3.45Å; D418-M420 PolarHBondContact OD1-N 3.13Å; M420-R422 PolarHBondContact O-N 3.12Å; M420-I423 PolarHBondContact O-N 3.33Å; M420-Q424 WeakPolarHBondContact O-CG 3.25Å; M420-Q424 PolarHBondContact O-N 3.47Å; M420-Q424 HydrophobicContact SD-CG 4.21Å; M420-L460 HydrophobicContact CB-CB 3.8Å; M420-L460 HydrophobicContact CE-CB 4.02Å; M420-L460 HydrophobicContact CE-CD1 4.02Å; M420-L460 HydrophobicContact SD-CD1 4.3Å
421	F	92.6	Very high	94.5	Very high	58 Å²	58	42 Å²	42	25%	0.254	21%	0.205	S	C	.	.	H	α-helix	trans	-56.9	-37.2	174.6	179.5	-112.3	0	0	0	112.6	D418 K425	D418-F421 WeakPolarHBondContact OD1-CB 3.4Å; D418-F421 PolarHBondContact OD1-N 3.32Å; F421-K425 HydrophobicContact CD1-CD 4.42Å; F421-K425 HydrophobicContact CE1-CD 4Å; F421-K425 VanDerWaalsContact CE1-CE 3.5Å; F421-K425 HydrophobicContact CZ-CD 4.1Å; F421-K425 PolarHBondContact O-N 3.42Å
422	R	92.8	Very high	94.5	Very high	25 Å²	25	41.5 Å²	41.5	9%	0.094	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-47.7	176.5	-66.4	-50.4	-51	173.6	2.1	112.3	D418 L419 M420 K425 E426 F429 L465 Y608	D418-R422 WeakPolarHBondContact O-CG 3.32Å; D418-R422 PolarHBondContact O-N 3.46Å; L419-R422 WeakPolarHBondContact O-CB 3.38Å; L419-R422 PolarHBondContact O-N 3.45Å; M420-R422 PolarHBondContact O-N 3.12Å; R422-K425 PolarHBondContact O-N 2.89Å; R422-E426 IonicContact CZ-OE1 3.95Å; R422-E426 IonicContact NE-OE1 3.31Å; R422-E426 IonicContact NH2-OE1 2.68Å; R422-E426 PolarHBondContact NH2-OE1 2.78Å; R422-E426 PolarHBondContact O-N 3.46Å; R422-E426 VanDerWaalsContact O-N 3.08Å; R422-F429 HydrophobicContact CB-CE1 4.12Å; R422-F429 HydrophobicContact CB-CZ 3.83Å; R422-L465 HydrophobicContact CG-CD1 3.86Å; R422-Y608 VanDerWaalsContact CZ-CE1 3.48Å; R422-Y608 PolarHBondContact NH1-OH 3.36Å
423	I	94.1	Very high	94.6	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-40.8	179.6	-74.9	169.6	0	0	0	111.1	L419 M420 K425 E426 G427 F429 L460 M525	L419-I423 PolarHBondContact O-N 2.83Å; M420-I423 PolarHBondContact O-N 3.33Å; I423-K425 PolarHBondContact O-N 3.12Å; I423-E426 PolarHBondContact O-N 3.42Å; I423-E426 VanDerWaalsContact O-N 3.16Å; I423-G427 CarbonylContact O-C 3.6Å; I423-G427 VanDerWaalsContact O-CA 3.32Å; I423-G427 WeakPolarHBondContact O-CA 3.36Å; I423-G427 PolarHBondContact O-N 3.44Å; I423-F429 HydrophobicContact CB-CZ 4.49Å; I423-F429 HydrophobicContact CD1-CD2 3.99Å; I423-F429 HydrophobicContact CD1-CE2 3.58Å; I423-F429 HydrophobicContact CD1-CZ 3.94Å; I423-F429 HydrophobicContact CG1-CD1 4.06Å; I423-F429 HydrophobicContact CG1-CD2 3.94Å; I423-F429 HydrophobicContact CG1-CE1 3.6Å; I423-F429 HydrophobicContact CG1-CE2 3.46Å; I423-F429 VanDerWaalsContact CG1-CE2 3.46Å; I423-F429 HydrophobicContact CG1-CG 4.23Å; I423-F429 HydrophobicContact CG1-CZ 3.29Å; I423-L460 HydrophobicContact CD1-CD1 3.45Å; I423-L460 VanDerWaalsContact CD1-CD1 3.45Å; I423-L460 HydrophobicContact CD1-CD2 3.7Å; I423-L460 HydrophobicContact CD1-CG 4.21Å; I423-M525 HydrophobicContact CD1-CB 4.22Å; I423-M525 HydrophobicContact CD1-CG 3.78Å
424	Q	93.6	Very high	94.7	Very high	137 Å²	137	39 Å²	39	64%	0.64	19%	0.192	S	C	*	.	H	α-helix	trans	-59.6	-33.7	176.4	-71.6	174.9	-2	0	0	112.8	M420	M420-Q424 WeakPolarHBondContact O-CG 3.25Å; M420-Q424 PolarHBondContact O-N 3.47Å; M420-Q424 HydrophobicContact SD-CG 4.21Å
425	K	91.5	Very high	94.8	Very high	123 Å²	123	38.7 Å²	38.7	54%	0.535	19%	0.19	S	C	.	.	H	α-helix	trans	-74.6	-38.4	175	-78.7	-177.6	168.4	177.5	0	113.5	F421 R422 I423	F421-K425 HydrophobicContact CD1-CD 4.42Å; F421-K425 HydrophobicContact CE1-CD 4Å; F421-K425 VanDerWaalsContact CE1-CE 3.5Å; F421-K425 HydrophobicContact CZ-CD 4.1Å; F421-K425 PolarHBondContact O-N 3.42Å; R422-K425 PolarHBondContact O-N 2.89Å; I423-K425 PolarHBondContact O-N 3.12Å
426	E	92.6	Very high	95.1	Very high	79 Å²	79	38.3 Å²	38.3	37%	0.369	19%	0.188	S	C	.	.	H	α-helix	trans	-91.8	-14.7	-174.4	-67.4	-178.9	-154.6	0	0	113.2	R422 I423 K428 F429	R422-E426 IonicContact CZ-OE1 3.95Å; R422-E426 IonicContact NE-OE1 3.31Å; R422-E426 IonicContact NH2-OE1 2.68Å; R422-E426 PolarHBondContact NH2-OE1 2.78Å; R422-E426 PolarHBondContact O-N 3.46Å; R422-E426 VanDerWaalsContact O-N 3.08Å; I423-E426 PolarHBondContact O-N 3.42Å; I423-E426 VanDerWaalsContact O-N 3.16Å; E426-K428 PolarHBondContact O-N 3.04Å; E426-F429 HydrophobicContact CB-CD1 4.49Å; E426-F429 VanDerWaalsContact OE2-CD1 3.31Å; E426-F429 WeakPolarHBondContact OE2-CD1 3.35Å
427	G	96	Very high	95.4	Very high	45 Å²	45	38.5 Å²	38.5	46%	0.464	19%	0.188	S	C	.	.	S	Bend	trans	76.4	-46.5	-170.6	0	0	0	0	0	112.4	I423 G528	I423-G427 CarbonylContact O-C 3.6Å; I423-G427 VanDerWaalsContact O-CA 3.32Å; I423-G427 WeakPolarHBondContact O-CA 3.36Å; I423-G427 PolarHBondContact O-N 3.44Å; G427-G528 WeakPolarHBondContact O-CA 3.26Å
428	K	96.3	Very high	95.6	Very high	94 Å²	94	38.4 Å²	38.4	41%	0.409	19%	0.187	S	C	.	.	S	Bend	trans	-161.2	159.2	172.3	64.9	-178.2	-177.5	176.7	0	110.5	E426	E426-K428 PolarHBondContact O-N 3.04Å
429	F	96.8	Very high	95.8	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.026	18%	0.177	C	C	.	.			trans	-84.4	145.6	174	-64.3	-26.1	0	0	0	112.4	L419 R422 I423 E426 I433 A434 Y437 M525	L419-F429 HydrophobicContact CD2-CE2 4.3Å; L419-F429 HydrophobicContact CD2-CZ 4.29Å; R422-F429 HydrophobicContact CB-CE1 4.12Å; R422-F429 HydrophobicContact CB-CZ 3.83Å; I423-F429 HydrophobicContact CB-CZ 4.49Å; I423-F429 HydrophobicContact CD1-CD2 3.99Å; I423-F429 HydrophobicContact CD1-CE2 3.58Å; I423-F429 HydrophobicContact CD1-CZ 3.94Å; I423-F429 HydrophobicContact CG1-CD1 4.06Å; I423-F429 HydrophobicContact CG1-CD2 3.94Å; I423-F429 HydrophobicContact CG1-CE1 3.6Å; I423-F429 HydrophobicContact CG1-CE2 3.46Å; I423-F429 VanDerWaalsContact CG1-CE2 3.46Å; I423-F429 HydrophobicContact CG1-CG 4.23Å; I423-F429 HydrophobicContact CG1-CZ 3.29Å; E426-F429 HydrophobicContact CB-CD1 4.49Å; E426-F429 VanDerWaalsContact OE2-CD1 3.31Å; E426-F429 WeakPolarHBondContact OE2-CD1 3.35Å; F429-I433 HydrophobicContact CB-CB 4.15Å; F429-I433 HydrophobicContact CB-CG2 4.07Å; F429-I433 HydrophobicContact CD1-CG2 4.21Å; F429-I433 HydrophobicContact CD2-CG2 4.15Å; F429-I433 HydrophobicContact CG-CG2 3.91Å; F429-A434 HydrophobicContact CB-CB 4.31Å; F429-Y437 HydrophobicContact CD2-CD2 4.33Å; F429-Y437 AromaticContact CE2-CD2 3.97Å; F429-Y437 HydrophobicContact CE2-CD2 3.97Å; F429-Y437 HydrophobicContact CE2-CE2 4.24Å; F429-Y437 HydrophobicContact CZ-CE2 4.42Å; F429-M525 WeakPolarHBondContact CB-O 3.21Å; F429-M525 HydrophobicContact CD2-CB 3.91Å; F429-M525 HydrophobicContact CD2-CG 4.03Å; F429-M525 HydrophobicContact CD2-SD 3.89Å; F429-M525 HydrophobicContact CE2-CG 4.3Å; F429-M525 HydrophobicContact CE2-SD 4.03Å; F429-M525 PolarHBondContact N-O 2.81Å
430	K	95.4	Very high	95.9	Very high	90 Å²	90	36.5 Å²	36.5	39%	0.391	18%	0.177	S	C	.	.			trans	-63.3	150.1	162.5	-70.1	175.7	171.4	175.2	0	109	E279 Y280 I433 A434	E279-K430 IonicContact OE1-NZ 2.85Å; E279-K430 IonicContact OE2-NZ 3.18Å; E279-K430 PolarHBondContact OE2-NZ 2.83Å; Y280-K430 HydrophobicContact CE2-CD 4.24Å; Y280-K430 WeakPolarHBondContact OH-CD 3.43Å; K430-I433 HydrophobicContact CB-CD1 4.23Å; K430-I433 HydrophobicContact CB-CG1 4.32Å; K430-I433 WeakPolarHBondContact O-CB 3.48Å; K430-I433 PolarHBondContact O-N 2.91Å; K430-A434 PolarHBondContact O-N 3.43Å; K430-A434 VanDerWaalsContact O-N 3.1Å
431	E	96.9	Very high	96.1	Very high	35 Å²	35	35.1 Å²	35.1	16%	0.164	17%	0.171	C	C	.	.	H	α-helix	trans	-53.5	-45.6	-176.3	173.5	170.6	136.5	0	0	112.9	I433 A434 V435 L526 S556 S559 F590	E431-I433 VanDerWaalsContact C-N 3.25Å; E431-I433 PolarHBondContact O-N 3.44Å; E431-A434 PolarHBondContact O-N 3.28Å; E431-V435 HydrophobicContact CG-CG2 4.02Å; E431-V435 WeakPolarHBondContact O-CB 3.46Å; E431-V435 WeakPolarHBondContact O-CG2 3.45Å; E431-V435 PolarHBondContact O-N 3.48Å; E431-L526 HydrophobicContact CB-CD2 4.27Å; E431-S556 VanDerWaalsContact CD-OG 3.3Å; E431-S556 PolarHBondContact OE1-OG 3.44Å; E431-S556 WeakPolarHBondContact OE2-CB 3.22Å; E431-S556 PolarHBondContact OE2-OG 2.74Å; E431-S559 PolarHBondContact OE2-OG 3.19Å; E431-F590 HydrophobicContact CG-CE2 3.96Å
432	P	96	Very high	96.4	Very high	9 Å²	9	32.4 Å²	32.4	6%	0.058	16%	0.159	C	C	.	.	H	α-helix	trans	-58.6	-33.5	178.1	-29.1	38.8	0	0	0	115.1	Y280 Y281 F436	Y280-P432 HydrophobicContact CD1-CB 4.17Å; Y280-P432 HydrophobicContact CD2-CB 3.45Å; Y280-P432 VanDerWaalsContact CD2-CB 3.45Å; Y280-P432 HydrophobicContact CD2-CG 3.61Å; Y280-P432 HydrophobicContact CE2-CB 4.12Å; Y280-P432 HydrophobicContact CE2-CG 4.16Å; Y280-P432 HydrophobicContact CG-CB 3.51Å; Y280-P432 HydrophobicContact CG-CG 4.18Å; Y281-P432 HydrophobicContact CE2-CB 3.86Å; Y281-P432 HydrophobicContact CE2-CG 3.84Å; Y281-P432 VanDerWaalsContact OH-CA 3.26Å; Y281-P432 WeakPolarHBondContact OH-CA 3.06Å; Y281-P432 WeakPolarHBondContact OH-CB 3.34Å; P432-F436 PolarHBondContact O-N 3.14Å; P432-F436 VanDerWaalsContact O-N 3.13Å
433	I	96.6	Very high	96.7	Very high	16 Å²	16	32 Å²	32	8%	0.082	16%	0.159	C	C	.	.	H	α-helix	trans	-71.6	-47.9	178.4	-57.7	-179.5	0	0	0	109.5	Y280 F429 K430 E431 V435 F436 Y437 P607	Y280-I433 HydrophobicContact CE1-CD1 4.17Å; Y280-I433 HydrophobicContact CE1-CG1 3.76Å; F429-I433 HydrophobicContact CB-CB 4.15Å; F429-I433 HydrophobicContact CB-CG2 4.07Å; F429-I433 HydrophobicContact CD1-CG2 4.21Å; F429-I433 HydrophobicContact CD2-CG2 4.15Å; F429-I433 HydrophobicContact CG-CG2 3.91Å; K430-I433 HydrophobicContact CB-CD1 4.23Å; K430-I433 HydrophobicContact CB-CG1 4.32Å; K430-I433 WeakPolarHBondContact O-CB 3.48Å; K430-I433 PolarHBondContact O-N 2.91Å; E431-I433 VanDerWaalsContact C-N 3.25Å; E431-I433 PolarHBondContact O-N 3.44Å; I433-V435 VanDerWaalsContact C-N 3.3Å; I433-V435 PolarHBondContact O-N 3.01Å; I433-F436 WeakPolarHBondContact O-CB 3.36Å; I433-F436 PolarHBondContact O-N 3.26Å; I433-Y437 HydrophobicContact CG2-CD2 3.85Å; I433-Y437 HydrophobicContact CG2-CE2 3.61Å; I433-Y437 PolarHBondContact O-N 2.99Å; I433-Y437 VanDerWaalsContact O-N 3.14Å; I433-P607 HydrophobicContact CB-CB 4.43Å; I433-P607 HydrophobicContact CB-CG 4.37Å; I433-P607 HydrophobicContact CD1-CB 4.5Å; I433-P607 HydrophobicContact CG1-CB 3.88Å; I433-P607 HydrophobicContact CG1-CG 4.36Å; I433-P607 HydrophobicContact CG2-CB 4.29Å; I433-P607 HydrophobicContact CG2-CG 3.89Å
434	A	98.1	Very high	96.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-40.1	175.4	0	0	0	0	0	111.8	F429 K430 E431 F436 A438 L522 M525 L526	F429-A434 HydrophobicContact CB-CB 4.31Å; K430-A434 PolarHBondContact O-N 3.43Å; K430-A434 VanDerWaalsContact O-N 3.1Å; E431-A434 PolarHBondContact O-N 3.28Å; A434-F436 PolarHBondContact O-N 2.92Å; A434-A438 WeakPolarHBondContact O-CB 3.3Å; A434-A438 PolarHBondContact O-N 2.89Å; A434-L522 HydrophobicContact CB-CD1 4.36Å; A434-M525 HydrophobicContact CB-CB 4.06Å; A434-M525 HydrophobicContact CB-CE 4.2Å; A434-M525 WeakPolarHBondContact O-CE 3.09Å; A434-L526 HydrophobicContact CB-CD2 3.61Å; A434-L526 HydrophobicContact CB-CG 4.01Å
435	V	98.2	Very high	97.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-59.7	-44.3	175.5	170.8	0	0	0	0	111.3	E431 I433 A439 F590 F591 I594	E431-V435 HydrophobicContact CG-CG2 4.02Å; E431-V435 WeakPolarHBondContact O-CB 3.46Å; E431-V435 WeakPolarHBondContact O-CG2 3.45Å; E431-V435 PolarHBondContact O-N 3.48Å; I433-V435 VanDerWaalsContact C-N 3.3Å; I433-V435 PolarHBondContact O-N 3.01Å; V435-A439 WeakPolarHBondContact O-CB 3.43Å; V435-A439 PolarHBondContact O-N 2.5Å; V435-F590 HydrophobicContact CB-CE1 4.16Å; V435-F590 HydrophobicContact CB-CZ 4.21Å; V435-F590 HydrophobicContact CG2-CD1 4Å; V435-F590 HydrophobicContact CG2-CD2 4.12Å; V435-F590 HydrophobicContact CG2-CE1 3.5Å; V435-F590 VanDerWaalsContact CG2-CE1 3.5Å; V435-F590 HydrophobicContact CG2-CE2 3.61Å; V435-F590 HydrophobicContact CG2-CG 4.29Å; V435-F590 HydrophobicContact CG2-CZ 3.26Å; V435-F591 HydrophobicContact CG1-CD1 3.99Å; V435-F591 HydrophobicContact CG1-CE1 4.43Å; V435-I594 HydrophobicContact CG1-CD1 3.73Å; V435-I594 HydrophobicContact CG1-CG1 3.48Å; V435-I594 VanDerWaalsContact CG1-CG1 3.48Å
436	F	97.9	Very high	97.4	Very high	10 Å²	10	20 Å²	20	4%	0.044	11%	0.105	C	C	.	.	H	α-helix	trans	-61.3	-57.5	179.1	175.8	-90.7	0	0	0	111.5	P432 I433 A434 A438 A439 E440 H470 I599 V604 P606 P607	P432-F436 PolarHBondContact O-N 3.14Å; P432-F436 VanDerWaalsContact O-N 3.13Å; I433-F436 WeakPolarHBondContact O-CB 3.36Å; I433-F436 PolarHBondContact O-N 3.26Å; A434-F436 PolarHBondContact O-N 2.92Å; F436-A438 VanDerWaalsContact C-N 3.35Å; F436-A438 PolarHBondContact O-N 2.77Å; F436-A439 WeakPolarHBondContact O-CB 3.21Å; F436-A439 PolarHBondContact O-N 3.04Å; F436-A439 VanDerWaalsContact O-N 3.12Å; F436-E440 HydrophobicContact CE1-CG 4.39Å; F436-E440 WeakPolarHBondContact CE1-OE1 3.22Å; F436-E440 HydrophobicContact CZ-CG 4.46Å; F436-E440 WeakPolarHBondContact CZ-OE1 3.45Å; F436-E440 PolarHBondContact O-N 3.07Å; F436-H470 AromaticContact CZ-CE1 3.98Å; F436-H470 AromaticContact CZ-ND1 3.77Å; F436-I599 HydrophobicContact CD2-CD1 3.98Å; F436-I599 HydrophobicContact CE2-CD1 4.03Å; F436-V604 HydrophobicContact CD2-CG1 4.05Å; F436-V604 HydrophobicContact CE2-CB 4.06Å; F436-V604 HydrophobicContact CE2-CG1 3.87Å; F436-P606 HydrophobicContact CE1-CB 4.16Å; F436-P606 HydrophobicContact CZ-CB 4.03Å; F436-P606 HydrophobicContact CZ-CG 4.01Å; F436-P607 HydrophobicContact CB-CG 4.4Å; F436-P607 HydrophobicContact CD1-CG 3.9Å; F436-P607 HydrophobicContact CE1-CG 4.49Å; F436-P607 HydrophobicContact CG-CG 4.22Å
437	Y	98.6	Very high	97.6	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-39.2	-178.2	-68.6	-49.1	0	0	0	112.5	L419 F429 I433 A439 E440 V441 L465 G469 I471 P607	L419-Y437 HydrophobicContact CD1-CD2 4.47Å; L419-Y437 HydrophobicContact CD1-CG 4.24Å; L419-Y437 HydrophobicContact CD2-CD1 4.36Å; L419-Y437 HydrophobicContact CD2-CD2 4.01Å; L419-Y437 HydrophobicContact CD2-CE1 4.29Å; L419-Y437 HydrophobicContact CD2-CE2 3.93Å; L419-Y437 HydrophobicContact CD2-CG 4.23Å; F429-Y437 HydrophobicContact CD2-CD2 4.33Å; F429-Y437 AromaticContact CE2-CD2 3.97Å; F429-Y437 HydrophobicContact CE2-CD2 3.97Å; F429-Y437 HydrophobicContact CE2-CE2 4.24Å; F429-Y437 HydrophobicContact CZ-CE2 4.42Å; I433-Y437 HydrophobicContact CG2-CD2 3.85Å; I433-Y437 HydrophobicContact CG2-CE2 3.61Å; I433-Y437 PolarHBondContact O-N 2.99Å; I433-Y437 VanDerWaalsContact O-N 3.14Å; Y437-A439 VanDerWaalsContact C-N 3.27Å; Y437-A439 PolarHBondContact O-N 3.16Å; Y437-E440 PolarHBondContact O-N 3.23Å; Y437-V441 VanDerWaalsContact O-CG2 3.27Å; Y437-V441 WeakPolarHBondContact O-CG2 3.29Å; Y437-V441 PolarHBondContact O-N 2.84Å; Y437-L465 HydrophobicContact CD1-CD2 4.41Å; Y437-L465 HydrophobicContact CE1-CD2 3.66Å; Y437-G469 WeakPolarHBondContact CE1-O 3.35Å; Y437-I471 HydrophobicContact CD1-CD1 3.66Å; Y437-I471 HydrophobicContact CD1-CG1 3.7Å; Y437-I471 HydrophobicContact CE1-CD1 4.29Å; Y437-I471 HydrophobicContact CE1-CG1 4.44Å; Y437-I471 HydrophobicContact CG-CD1 4.26Å; Y437-P607 HydrophobicContact CE2-CG 4.13Å
438	A	98.7	Very high	97.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.4	-37.8	175.2	0	0	0	0	0	111.8	A434 F436 A442 Y518 L522 M525 F590 F591	A434-A438 WeakPolarHBondContact O-CB 3.3Å; A434-A438 PolarHBondContact O-N 2.89Å; F436-A438 VanDerWaalsContact C-N 3.35Å; F436-A438 PolarHBondContact O-N 2.77Å; A438-A442 WeakPolarHBondContact O-CB 3.45Å; A438-A442 PolarHBondContact O-N 3.44Å; A438-Y518 HydrophobicContact CB-CE2 4.45Å; A438-Y518 WeakPolarHBondContact CB-OH 3.09Å; A438-Y518 WeakPolarHBondContact O-CE2 3.46Å; A438-Y518 PolarHBondContact O-OH 3.34Å; A438-L522 HydrophobicContact CB-CD1 4.07Å; A438-M525 HydrophobicContact CB-CE 3.86Å; A438-F590 HydrophobicContact CB-CE1 4.48Å; A438-F591 HydrophobicContact CB-CE1 4.01Å; A438-F591 HydrophobicContact CB-CZ 4.06Å
439	A	98.7	Very high	97.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-66.1	-44	177.6	0	0	0	0	0	111.9	V435 F436 Y437 A442 V443 F591 I594 W596 I599	V435-A439 WeakPolarHBondContact O-CB 3.43Å; V435-A439 PolarHBondContact O-N 2.5Å; F436-A439 WeakPolarHBondContact O-CB 3.21Å; F436-A439 PolarHBondContact O-N 3.04Å; F436-A439 VanDerWaalsContact O-N 3.12Å; Y437-A439 VanDerWaalsContact C-N 3.27Å; Y437-A439 PolarHBondContact O-N 3.16Å; A439-A442 PolarHBondContact O-N 3.03Å; A439-V443 WeakPolarHBondContact O-CG2 3.46Å; A439-V443 PolarHBondContact O-N 2.8Å; A439-F591 HydrophobicContact CB-CD1 4.32Å; A439-F591 HydrophobicContact CB-CE1 4.19Å; A439-I594 HydrophobicContact CB-CD1 4.42Å; A439-I594 HydrophobicContact CB-CG1 4.24Å; A439-I594 HydrophobicContact CB-CG2 4.13Å; A439-W596 HydrophobicContact CB-CH2 4.03Å; A439-W596 HydrophobicContact CB-CZ3 3.95Å; A439-W596 WeakPolarHBondContact O-CZ3 3.37Å; A439-I599 HydrophobicContact CB-CG1 4.31Å; A439-I599 HydrophobicContact CB-CG2 4.2Å
440	E	98.7	Very high	97.7	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-62.9	-45.6	177.7	-63.5	-164.2	152.7	0	0	112.3	F393 F436 Y437 A442 V443 G444 H470 I471 I599	F393-E440 HydrophobicContact CD1-CB 3.87Å; F393-E440 HydrophobicContact CD1-CG 4.16Å; F393-E440 HydrophobicContact CD2-CB 4.21Å; F393-E440 WeakPolarHBondContact CD2-O 3.48Å; F393-E440 HydrophobicContact CE1-CB 3.79Å; F393-E440 HydrophobicContact CE1-CG 3.56Å; F393-E440 VanDerWaalsContact CE1-OE1 3.27Å; F393-E440 WeakPolarHBondContact CE1-OE1 3.4Å; F393-E440 HydrophobicContact CE2-CB 4.11Å; F393-E440 HydrophobicContact CE2-CG 4.19Å; F393-E440 HydrophobicContact CG-CB 4.07Å; F393-E440 HydrophobicContact CZ-CB 3.87Å; F393-E440 HydrophobicContact CZ-CG 3.55Å; F436-E440 HydrophobicContact CE1-CG 4.39Å; F436-E440 WeakPolarHBondContact CE1-OE1 3.22Å; F436-E440 HydrophobicContact CZ-CG 4.46Å; F436-E440 WeakPolarHBondContact CZ-OE1 3.45Å; F436-E440 PolarHBondContact O-N 3.07Å; Y437-E440 PolarHBondContact O-N 3.23Å; E440-A442 VanDerWaalsContact C-N 3.3Å; E440-A442 PolarHBondContact O-N 2.92Å; E440-V443 PolarHBondContact O-N 3.02Å; E440-G444 PolarHBondContact O-N 3.19Å; E440-G444 VanDerWaalsContact O-N 3.15Å; E440-H470 IonicContact OE1-CE1 3.48Å; E440-H470 IonicContact OE1-CG 3.17Å; E440-H470 IonicContact OE1-ND1 3.81Å; E440-H470 PolarHBondContact OE1-ND1 3.42Å; E440-H470 IonicContact OE2-ND1 2.66Å; E440-I471 HydrophobicContact CB-CB 3.97Å; E440-I471 HydrophobicContact CB-CG1 3.93Å; E440-I471 WeakPolarHBondContact OE2-CB 3.3Å; E440-I471 VanDerWaalsContact OE2-CG1 3.31Å; E440-I471 WeakPolarHBondContact OE2-CG1 3.47Å; E440-I471 PolarHBondContact OE2-N 2.87Å; E440-I599 HydrophobicContact CG-CG2 3.93Å
441	V	98.8	Very high	97.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59	-43.9	175.2	174.1	0	0	0	0	110.8	Y437 V443 G444 L445 L458 L463 I471 I473 Y518	Y437-V441 VanDerWaalsContact O-CG2 3.27Å; Y437-V441 WeakPolarHBondContact O-CG2 3.29Å; Y437-V441 PolarHBondContact O-N 2.84Å; V441-V443 VanDerWaalsContact C-N 3.33Å; V441-V443 PolarHBondContact O-N 2.94Å; V441-G444 PolarHBondContact O-N 3.45Å; V441-G444 VanDerWaalsContact O-N 3.14Å; V441-L445 HydrophobicContact CG1-CD1 4.29Å; V441-L445 HydrophobicContact CG1-CG 4.47Å; V441-L445 WeakPolarHBondContact O-CG 3.4Å; V441-L445 PolarHBondContact O-N 2.83Å; V441-L458 HydrophobicContact CG1-CD1 3.84Å; V441-L458 HydrophobicContact CG1-CD2 4.13Å; V441-L463 HydrophobicContact CG2-CD1 3.5Å; V441-L463 HydrophobicContact CG2-CD2 3.84Å; V441-L463 HydrophobicContact CG2-CG 4.32Å; V441-I471 HydrophobicContact CG2-CD1 4.49Å; V441-I471 HydrophobicContact CG2-CG1 4.33Å; V441-I471 HydrophobicContact CG2-CG2 4.01Å; V441-I473 HydrophobicContact CG1-CD1 4.41Å; V441-Y518 HydrophobicContact CB-CE2 4.12Å; V441-Y518 HydrophobicContact CG1-CD2 3.86Å; V441-Y518 HydrophobicContact CG1-CE2 3.92Å
442	A	98.7	Very high	97.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.7	-39.4	178.6	0	0	0	0	0	112.2	A438 A439 E440 G444 L445 F446 W515 Y518 W596	A438-A442 WeakPolarHBondContact O-CB 3.45Å; A438-A442 PolarHBondContact O-N 3.44Å; A439-A442 PolarHBondContact O-N 3.03Å; E440-A442 VanDerWaalsContact C-N 3.3Å; E440-A442 PolarHBondContact O-N 2.92Å; A442-G444 VanDerWaalsContact C-N 3.32Å; A442-G444 PolarHBondContact O-N 3.26Å; A442-L445 PolarHBondContact O-N 2.9Å; A442-F446 HydrophobicContact CB-CE2 3.93Å; A442-F446 HydrophobicContact CB-CZ 3.97Å; A442-F446 WeakPolarHBondContact O-CD2 3.42Å; A442-F446 WeakPolarHBondContact O-CG 3.16Å; A442-F446 PolarHBondContact O-N 2.77Å; A442-W515 HydrophobicContact CB-CH2 4.42Å; A442-W515 HydrophobicContact CB-CZ3 4.43Å; A442-Y518 HydrophobicContact CB-CE2 4.06Å; A442-W596 HydrophobicContact CB-CH2 3.94Å; A442-W596 HydrophobicContact CB-CZ3 3.95Å
443	V	98.5	Very high	97.8	Very high	17 Å²	17	16.1 Å²	16.1	10%	0.103	8%	0.079	C	C	.	.	H	α-helix	trans	-60.3	-42.6	173.9	172.7	0	0	0	0	111.4	P391 F393 A439 E440 V441 F446 F447 W596 I599 A600	P391-V443 HydrophobicContact CB-CG1 3.89Å; P391-V443 HydrophobicContact CG-CG1 4.45Å; F393-V443 HydrophobicContact CD2-CB 3.77Å; F393-V443 HydrophobicContact CD2-CG1 3.73Å; F393-V443 HydrophobicContact CE2-CB 3.84Å; F393-V443 HydrophobicContact CE2-CG1 3.83Å; F393-V443 HydrophobicContact CE2-CG2 4.28Å; A439-V443 WeakPolarHBondContact O-CG2 3.46Å; A439-V443 PolarHBondContact O-N 2.8Å; E440-V443 PolarHBondContact O-N 3.02Å; V441-V443 VanDerWaalsContact C-N 3.33Å; V441-V443 PolarHBondContact O-N 2.94Å; V443-F446 PolarHBondContact O-N 2.77Å; V443-F447 PolarHBondContact O-N 3.44Å; V443-W596 HydrophobicContact CG2-CE3 3.94Å; V443-W596 HydrophobicContact CG2-CZ3 4.07Å; V443-I599 HydrophobicContact CG2-CG2 4.17Å; V443-A600 HydrophobicContact CG1-CB 4.3Å
444	G	98.3	Very high	97.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.4	-45.8	173.7	0	0	0	0	0	112.7	E440 V441 A442 F447 L448	E440-G444 PolarHBondContact O-N 3.19Å; E440-G444 VanDerWaalsContact O-N 3.15Å; V441-G444 PolarHBondContact O-N 3.45Å; V441-G444 VanDerWaalsContact O-N 3.14Å; A442-G444 VanDerWaalsContact C-N 3.32Å; A442-G444 PolarHBondContact O-N 3.26Å; G444-F447 PolarHBondContact O-N 2.97Å; G444-L448 WeakPolarHBondContact O-CG 3.41Å; G444-L448 PolarHBondContact O-N 2.76Å; G444-L448 VanDerWaalsContact O-N 3.17Å
445	L	98.4	Very high	97.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.5	-41.2	177.8	-66.6	177.9	0	0	0	112.8	V441 A442 F447 L448 H449 L458 D514 W515 Y518	V441-L445 HydrophobicContact CG1-CD1 4.29Å; V441-L445 HydrophobicContact CG1-CG 4.47Å; V441-L445 WeakPolarHBondContact O-CG 3.4Å; V441-L445 PolarHBondContact O-N 2.83Å; A442-L445 PolarHBondContact O-N 2.9Å; L445-F447 VanDerWaalsContact C-N 3.28Å; L445-F447 PolarHBondContact O-N 2.97Å; L445-L448 PolarHBondContact O-N 2.99Å; L445-H449 WeakPolarHBondContact O-CB 3.41Å; L445-H449 PolarHBondContact O-CD2 3.4Å; L445-H449 VanDerWaalsContact O-CG 3.23Å; L445-H449 PolarHBondContact O-N 3.4Å; L445-L458 HydrophobicContact CD1-CD2 4.04Å; L445-D514 HydrophobicContact CD2-CB 4.35Å; L445-W515 HydrophobicContact CB-CH2 3.99Å; L445-W515 HydrophobicContact CB-CZ2 4.4Å; L445-W515 HydrophobicContact CD1-CE3 4.35Å; L445-W515 HydrophobicContact CD1-CH2 4.12Å; L445-W515 HydrophobicContact CD1-CZ3 3.87Å; L445-Y518 HydrophobicContact CD1-CD2 3.92Å; L445-Y518 HydrophobicContact CD1-CG 4.44Å
446	F	97.5	Very high	97.9	Very high	15 Å²	15	16.3 Å²	16.3	7%	0.066	8%	0.078	C	C	.	.	H	α-helix	trans	-57	-44.2	176.4	-63.1	-35.6	0	0	0	111.1	A442 V443 H449 D450 W515 E582 I585 K586 W596	A442-F446 HydrophobicContact CB-CE2 3.93Å; A442-F446 HydrophobicContact CB-CZ 3.97Å; A442-F446 WeakPolarHBondContact O-CD2 3.42Å; A442-F446 WeakPolarHBondContact O-CG 3.16Å; A442-F446 PolarHBondContact O-N 2.77Å; V443-F446 PolarHBondContact O-N 2.77Å; F446-H449 PolarHBondContact O-N 3.37Å; F446-D450 WeakPolarHBondContact O-CB 3.33Å; F446-D450 PolarHBondContact O-N 2.82Å; F446-W515 AromaticContact CD1-CH2 3.75Å; F446-W515 HydrophobicContact CD1-CH2 3.75Å; F446-W515 AromaticContact CD1-CZ2 3.73Å; F446-W515 HydrophobicContact CD1-CZ2 3.73Å; F446-W515 AromaticContact CE1-CH2 3.29Å; F446-W515 HydrophobicContact CE1-CH2 3.29Å; F446-W515 AromaticContact CE1-CZ2 3.48Å; F446-W515 HydrophobicContact CE1-CZ2 3.48Å; F446-W515 VanDerWaalsContact CE1-CZ2 3.48Å; F446-W515 HydrophobicContact CE1-CZ3 4.42Å; F446-W515 HydrophobicContact CZ-CH2 4.04Å; F446-E582 HydrophobicContact CD1-CB 3.91Å; F446-E582 HydrophobicContact CD1-CG 3.69Å; F446-E582 HydrophobicContact CD2-CG 3.96Å; F446-E582 HydrophobicContact CE1-CB 3.85Å; F446-E582 HydrophobicContact CE1-CG 3.68Å; F446-E582 HydrophobicContact CE2-CG 3.98Å; F446-E582 HydrophobicContact CG-CG 3.85Å; F446-E582 HydrophobicContact CZ-CB 4.42Å; F446-E582 HydrophobicContact CZ-CG 3.84Å; F446-I585 HydrophobicContact CE1-CB 4.45Å; F446-I585 HydrophobicContact CE1-CD1 3.99Å; F446-I585 HydrophobicContact CZ-CB 4.09Å; F446-I585 HydrophobicContact CZ-CD1 4.4Å; F446-I585 HydrophobicContact CZ-CG2 3.89Å; F446-K586 HydrophobicContact CE2-CD 4.38Å; F446-K586 HydrophobicContact CE2-CG 4.01Å; F446-K586 HydrophobicContact CZ-CG 4.21Å; F446-W596 HydrophobicContact CE2-CE3 4.4Å; F446-W596 HydrophobicContact CE2-CH2 4.31Å; F446-W596 AromaticContact CE2-CZ3 3.91Å; F446-W596 HydrophobicContact CE2-CZ3 3.91Å
447	F	97.5	Very high	97.9	Very high	28 Å²	28	16.3 Å²	16.3	12%	0.123	8%	0.079	C	C	.	.	H	α-helix	trans	-61.3	-47.8	175.7	173.1	-91.6	0	0	0	112.4	L387 R389 K390 P391 L394 V443 G444 L445 H449 D450 K451	L387-F447 HydrophobicContact CB-CE1 4.31Å; L387-F447 HydrophobicContact CB-CZ 4.21Å; L387-F447 HydrophobicContact CD1-CE1 3.85Å; L387-F447 HydrophobicContact CD1-CZ 4.37Å; R389-F447 WeakPolarHBondContact O-CE2 3.42Å; K390-F447 HydrophobicContact CB-CE1 4.4Å; K390-F447 HydrophobicContact CB-CZ 4.29Å; K390-F447 HydrophobicContact CG-CE1 3.72Å; K390-F447 HydrophobicContact CG-CZ 3.7Å; P391-F447 VanDerWaalsContact CD-CD2 3.48Å; P391-F447 HydrophobicContact CG-CB 3.76Å; P391-F447 HydrophobicContact CG-CD1 4.5Å; P391-F447 HydrophobicContact CG-CD2 4.48Å; P391-F447 HydrophobicContact CG-CG 4.01Å; L394-F447 HydrophobicContact CD1-CD1 3.64Å; L394-F447 HydrophobicContact CD1-CE1 3.98Å; V443-F447 PolarHBondContact O-N 3.44Å; G444-F447 PolarHBondContact O-N 2.97Å; L445-F447 VanDerWaalsContact C-N 3.28Å; L445-F447 PolarHBondContact O-N 2.97Å; F447-H449 VanDerWaalsContact C-N 3.35Å; F447-H449 PolarHBondContact O-N 3.15Å; F447-D450 PolarHBondContact O-N 2.81Å; F447-K451 HydrophobicContact CE1-CG 4.3Å; F447-K451 HydrophobicContact CZ-CG 4.21Å; F447-K451 WeakPolarHBondContact O-CG 3.27Å; F447-K451 PolarHBondContact O-N 2.9Å
448	L	98	Very high	97.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.6	-45.3	179.2	-67.4	174.7	0	0	0	111	V384 L394 G444 L445 D450 K451 G452 I453 Y455 F476	V384-L448 HydrophobicContact CG1-CD2 3.84Å; L394-L448 HydrophobicContact CD1-CD2 4.03Å; L394-L448 HydrophobicContact CD1-CG 4.3Å; G444-L448 WeakPolarHBondContact O-CG 3.41Å; G444-L448 PolarHBondContact O-N 2.76Å; G444-L448 VanDerWaalsContact O-N 3.17Å; L445-L448 PolarHBondContact O-N 2.99Å; L448-D450 PolarHBondContact O-N 3.34Å; L448-K451 CarbonylContact O-C 3.33Å; L448-K451 WeakPolarHBondContact O-CA 3.17Å; L448-K451 PolarHBondContact O-N 3.28Å; L448-K451 VanDerWaalsContact O-N 3.08Å; L448-G452 PolarHBondContact O-N 3.11Å; L448-I453 CarbonylContact C-O 3.5Å; L448-I453 VanDerWaalsContact C-O 3.23Å; L448-I453 HydrophobicContact CB-CB 4.27Å; L448-I453 HydrophobicContact CB-CG2 4.44Å; L448-I453 HydrophobicContact CD2-CB 4.48Å; L448-I453 HydrophobicContact CD2-CG2 4.21Å; L448-I453 WeakPolarHBondContact O-CA 3.03Å; L448-I453 WeakPolarHBondContact O-CB 2.91Å; L448-I453 PolarHBondContact O-N 3.48Å; L448-Y455 HydrophobicContact CD1-CD2 4.08Å; L448-Y455 HydrophobicContact CD1-CG 4.44Å; L448-F476 HydrophobicContact CD1-CE1 4.29Å
449	H	96.7	Very high	97.8	Very high	23 Å²	23	17.8 Å²	17.8	11%	0.106	9%	0.085	C	C	.	.	H	α-helix	trans	-65.4	-37.1	179.8	-66.9	-178.8	0	0	0	112.2	L445 F446 F447 K451 G452 I453 K511 D514 W515	L445-H449 WeakPolarHBondContact O-CB 3.41Å; L445-H449 PolarHBondContact O-CD2 3.4Å; L445-H449 VanDerWaalsContact O-CG 3.23Å; L445-H449 PolarHBondContact O-N 3.4Å; F446-H449 PolarHBondContact O-N 3.37Å; F447-H449 VanDerWaalsContact C-N 3.35Å; F447-H449 PolarHBondContact O-N 3.15Å; H449-K451 PolarHBondContact O-N 3.29Å; H449-G452 PolarHBondContact O-N 3.27Å; H449-I453 PolarHBondContact CD2-O 3.47Å; H449-I453 VanDerWaalsContact CD2-O 3.3Å; H449-I453 PolarHBondContact N-O 3.37Å; H449-K511 HydrophobicContact CB-CD 4.15Å; H449-D514 IonicContact CD2-OD2 2.7Å; H449-D514 IonicContact CE1-OD2 3.38Å; H449-D514 IonicContact NE2-OD2 3.48Å; H449-D514 PolarHBondContact NE2-OD2 3.29Å; H449-W515 AromaticContact CE1-CE2 3.77Å; H449-W515 AromaticContact CE1-CZ2 3.93Å; H449-W515 AromaticContact CE1-NE1 3.53Å; H449-W515 AromaticContact ND1-CE2 3.89Å; H449-W515 AromaticContact ND1-CZ2 3.82Å; H449-W515 AromaticContact ND1-NE1 3.57Å
450	D	95.4	Very high	97.7	Very high	113 Å²	113	17.8 Å²	17.8	60%	0.604	9%	0.085	S	C	*	.	H	α-helix	trans	-59	-36.2	171.8	176	72.9	0	0	0	111.7	F446 F447 L448 G452	F446-D450 WeakPolarHBondContact O-CB 3.33Å; F446-D450 PolarHBondContact O-N 2.82Å; F447-D450 PolarHBondContact O-N 2.81Å; L448-D450 PolarHBondContact O-N 3.34Å; D450-G452 PolarHBondContact O-N 3.06Å
451	K	96.4	Very high	97.5	Very high	102 Å²	102	21.2 Å²	21.2	44%	0.443	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	3.9	174.6	-59.6	-52.1	174.5	-136	0	114.3	F447 L448 H449 I453	F447-K451 HydrophobicContact CE1-CG 4.3Å; F447-K451 HydrophobicContact CZ-CG 4.21Å; F447-K451 WeakPolarHBondContact O-CG 3.27Å; F447-K451 PolarHBondContact O-N 2.9Å; L448-K451 CarbonylContact O-C 3.33Å; L448-K451 WeakPolarHBondContact O-CA 3.17Å; L448-K451 PolarHBondContact O-N 3.28Å; L448-K451 VanDerWaalsContact O-N 3.08Å; H449-K451 PolarHBondContact O-N 3.29Å; K451-I453 VanDerWaalsContact C-N 3.29Å; K451-I453 HydrophobicContact CB-CD1 3.81Å; K451-I453 HydrophobicContact CB-CG1 4.24Å
452	G	97	Very high	97.4	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.021	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	30.1	-176.8	0	0	0	0	0	113.1	L448 H449 D450 D481 G482 I483 T484	L448-G452 PolarHBondContact O-N 3.11Å; H449-G452 PolarHBondContact O-N 3.27Å; D450-G452 PolarHBondContact O-N 3.06Å; G452-D481 CarbonylContact O-C 3.58Å; G452-G482 PolarHBondContact O-N 3.28Å; G452-I483 WeakPolarHBondContact CA-O 3.39Å; G452-I483 PolarHBondContact O-N 2.86Å; G452-T484 VanDerWaalsContact CA-CG2 3.43Å
453	I	98.3	Very high	97.4	Very high	8 Å²	8	21.9 Å²	21.9	4%	0.041	11%	0.107	C	C	.	.			trans	-111.8	130.2	179.7	-62.2	161.8	0	0	0	108.6	V384 L387 L448 H449 K451 C479 K480 D481	V384-I453 HydrophobicContact CG2-CD1 4.19Å; V384-I453 HydrophobicContact CG2-CG2 4.1Å; L387-I453 HydrophobicContact CD1-CD1 3.51Å; L448-I453 CarbonylContact C-O 3.5Å; L448-I453 VanDerWaalsContact C-O 3.23Å; L448-I453 HydrophobicContact CB-CB 4.27Å; L448-I453 HydrophobicContact CB-CG2 4.44Å; L448-I453 HydrophobicContact CD2-CB 4.48Å; L448-I453 HydrophobicContact CD2-CG2 4.21Å; L448-I453 WeakPolarHBondContact O-CA 3.03Å; L448-I453 WeakPolarHBondContact O-CB 2.91Å; L448-I453 PolarHBondContact O-N 3.48Å; H449-I453 PolarHBondContact CD2-O 3.47Å; H449-I453 VanDerWaalsContact CD2-O 3.3Å; H449-I453 PolarHBondContact N-O 3.37Å; K451-I453 VanDerWaalsContact C-N 3.29Å; K451-I453 HydrophobicContact CB-CD1 3.81Å; K451-I453 HydrophobicContact CB-CG1 4.24Å; I453-C479 HydrophobicContact CG2-CB 4.01Å; I453-K480 CarbonylContact C-O 3.55Å; I453-K480 VanDerWaalsContact CA-O 3.3Å; I453-K480 WeakPolarHBondContact CA-O 3.22Å; I453-D481 HydrophobicContact CG1-CB 3.95Å
454	I	98	Very high	97.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-104.4	141.3	169.6	60.4	175.8	0	0	0	109.5	R456 C479 K480 I483 T489 Y509 K511 D514	I454-R456 HydrophobicContact CB-CG 4.3Å; I454-R456 HydrophobicContact CD1-CG 3.86Å; I454-R456 HydrophobicContact CG1-CG 3.85Å; I454-C479 CarbonylContact O-C 3.57Å; I454-C479 WeakPolarHBondContact O-CA 3.47Å; I454-K480 HydrophobicContact CD1-CB 4.1Å; I454-K480 HydrophobicContact CG1-CB 3.72Å; I454-K480 PolarHBondContact N-O 3.45Å; I454-K480 PolarHBondContact O-N 3.39Å; I454-I483 HydrophobicContact CD1-CG1 4.01Å; I454-I483 HydrophobicContact CD1-CG2 4.47Å; I454-I483 HydrophobicContact CG1-CG1 4.09Å; I454-I483 HydrophobicContact CG2-CB 4.14Å; I454-I483 HydrophobicContact CG2-CG1 4.49Å; I454-I483 HydrophobicContact CG2-CG2 3.88Å; I454-T489 HydrophobicContact CD1-CG2 4.03Å; I454-Y509 HydrophobicContact CD1-CD2 4.28Å; I454-Y509 HydrophobicContact CD1-CE2 3.89Å; I454-K511 VanDerWaalsContact CG2-CA 3.45Å; I454-K511 HydrophobicContact CG2-CB 3.84Å; I454-D514 WeakPolarHBondContact CA-OD2 3.38Å
455	Y	98.3	Very high	97.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.111	C	C	.	.			trans	-87.2	-45.4	-170.4	-177	-107.1	0	0	0	113.1	L448 D457 L458 N462 I473 A474 D475 F476 M478 D514	L448-Y455 HydrophobicContact CD1-CD2 4.08Å; L448-Y455 HydrophobicContact CD1-CG 4.44Å; Y455-D457 VanDerWaalsContact CE1-O 3.24Å; Y455-D457 WeakPolarHBondContact CE1-O 3.28Å; Y455-D457 PolarHBondContact O-N 3.43Å; Y455-D457 VanDerWaalsContact O-N 3.09Å; Y455-L458 HydrophobicContact CD1-CB 3.87Å; Y455-L458 HydrophobicContact CD1-CD1 4.26Å; Y455-L458 HydrophobicContact CE1-CB 4.05Å; Y455-L458 HydrophobicContact CE1-CD1 4.1Å; Y455-N462 WeakPolarHBondContact OH-CB 3.39Å; Y455-N462 PolarHBondContact OH-ND2 3.03Å; Y455-I473 HydrophobicContact CD2-CG2 4.39Å; Y455-I473 HydrophobicContact CE1-CG2 4.24Å; Y455-I473 HydrophobicContact CE2-CG2 3.66Å; Y455-A474 PolarHBondContact OH-O 3.17Å; Y455-D475 PolarHBondContact OH-O 2.93Å; Y455-F476 AromaticContact CD2-CD1 3.82Å; Y455-F476 HydrophobicContact CD2-CD1 3.82Å; Y455-F476 HydrophobicContact CD2-CE1 4.08Å; Y455-F476 AromaticContact CE2-CD1 3.62Å; Y455-F476 HydrophobicContact CE2-CD1 3.62Å; Y455-F476 AromaticContact CE2-CE1 3.82Å; Y455-F476 HydrophobicContact CE2-CE1 3.82Å; Y455-F476 HydrophobicContact CE2-CG 4.39Å; Y455-M478 CarbonylContact O-C 3.54Å; Y455-D514 PolarHBondContact N-OD1 3.1Å; Y455-D514 PolarHBondContact N-OD2 2.87Å
456	R	97.9	Very high	97.1	Very high	19 Å²	19	23.5 Å²	23.5	7%	0.072	12%	0.115	C	C	.	.			trans	63.8	-2	172.1	-53.9	-171.8	-66.4	172.6	3.4	118.1	I454 M478 C479 C493 G494 Y509 V513 D514	I454-R456 HydrophobicContact CB-CG 4.3Å; I454-R456 HydrophobicContact CD1-CG 3.86Å; I454-R456 HydrophobicContact CG1-CG 3.85Å; R456-M478 PolarHBondContact NE-O 3.32Å; R456-M478 PolarHBondContact NH2-O 2.66Å; R456-C479 PolarHBondContact NH2-O 3.13Å; R456-C493 PolarHBondContact NH1-SG 3.28Å; R456-C493 VanDerWaalsContact NH1-SG 3.36Å; R456-G494 WeakPolarHBondContact O-CA 3.2Å; R456-Y509 PolarHBondContact NH1-OH 3.38Å; R456-V513 HydrophobicContact CG-CG2 4.16Å; R456-D514 PolarHBondContact N-OD1 2.96Å
457	D	97	Very high	96.8	Very high	10 Å²	10	24.6 Å²	24.6	5%	0.053	13%	0.127	C	C	.	.			trans	-134.8	42.3	175.9	-161.1	40.3	0	0	0	113.1	Y455 K459 N462 M478 T495	Y455-D457 VanDerWaalsContact CE1-O 3.24Å; Y455-D457 WeakPolarHBondContact CE1-O 3.28Å; Y455-D457 PolarHBondContact O-N 3.43Å; Y455-D457 VanDerWaalsContact O-N 3.09Å; D457-K459 PolarHBondContact O-N 2.95Å; D457-K459 IonicContact OD1-NZ 2.98Å; D457-K459 PolarHBondContact OD1-NZ 3.23Å; D457-K459 WeakPolarHBondContact OD2-CE 3.18Å; D457-K459 IonicContact OD2-NZ 3.61Å; D457-K459 PolarHBondContact OD2-NZ 2.94Å; D457-N462 PolarHBondContact O-ND2 3.27Å; D457-N462 PolarHBondContact OD2-ND2 2.68Å; D457-M478 HydrophobicContact CB-CB 3.8Å; D457-M478 HydrophobicContact CB-CG 3.91Å; D457-T495 PolarHBondContact OD1-N 2.99Å; D457-T495 PolarHBondContact OD1-OG1 2.67Å
458	L	98.2	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.			trans	-75	112.4	178.4	-168.7	73.1	0	0	0	110.9	V441 L445 Y455 L463 Y498 Y518 L521	V441-L458 HydrophobicContact CG1-CD1 3.84Å; V441-L458 HydrophobicContact CG1-CD2 4.13Å; L445-L458 HydrophobicContact CD1-CD2 4.04Å; Y455-L458 HydrophobicContact CD1-CB 3.87Å; Y455-L458 HydrophobicContact CD1-CD1 4.26Å; Y455-L458 HydrophobicContact CE1-CB 4.05Å; Y455-L458 HydrophobicContact CE1-CD1 4.1Å; L458-L463 HydrophobicContact CD1-CD2 4.05Å; L458-Y498 WeakPolarHBondContact O-CD1 3.36Å; L458-Y518 HydrophobicContact CD2-CD2 4.07Å; L458-Y518 HydrophobicContact CD2-CG 4.43Å; L458-L521 HydrophobicContact CD1-CD1 4.3Å; L458-L521 HydrophobicContact CD2-CD1 4.23Å; L458-L521 HydrophobicContact CG-CD1 3.81Å
459	K	97.3	Very high	96.3	Very high	35 Å²	35	27.1 Å²	27.1	15%	0.152	14%	0.142	C	C	.	.			trans	-150.8	163.7	177.3	60	-176	160.9	-153.1	0	110.3	D457 D461 N462 T495 Y498	D457-K459 PolarHBondContact O-N 2.95Å; D457-K459 IonicContact OD1-NZ 2.98Å; D457-K459 PolarHBondContact OD1-NZ 3.23Å; D457-K459 WeakPolarHBondContact OD2-CE 3.18Å; D457-K459 IonicContact OD2-NZ 3.61Å; D457-K459 PolarHBondContact OD2-NZ 2.94Å; K459-D461 VanDerWaalsContact C-N 3.26Å; K459-D461 HydrophobicContact CD-CB 4.3Å; K459-D461 HydrophobicContact CG-CB 4.29Å; K459-D461 PolarHBondContact O-N 3.49Å; K459-N462 VanDerWaalsContact CE-CG 3.5Å; K459-N462 WeakPolarHBondContact CE-ND2 3.28Å; K459-N462 WeakPolarHBondContact CE-OD1 3.42Å; K459-N462 HydrophobicContact CG-CB 4.18Å; K459-N462 PolarHBondContact O-N 3.31Å; K459-T495 HydrophobicContact CD-CG2 4.18Å; K459-T495 WeakPolarHBondContact CD-OG1 3.27Å; K459-T495 PolarHBondContact NZ-OG1 3.49Å; K459-Y498 HydrophobicContact CB-CD1 4.32Å; K459-Y498 HydrophobicContact CB-CD2 3.76Å; K459-Y498 HydrophobicContact CB-CE1 4.07Å; K459-Y498 HydrophobicContact CB-CE2 3.45Å; K459-Y498 VanDerWaalsContact CB-CE2 3.45Å; K459-Y498 HydrophobicContact CB-CG 4.17Å
460	L	97.2	Very high	96.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-62.8	-30.9	-176.2	-66.1	169.2	0	0	0	113.5	L419 M420 I423 N462 L463 Y498 L521 E524 M525	L419-L460 HydrophobicContact CB-CB 4.35Å; L419-L460 HydrophobicContact CB-CD2 3.91Å; L419-L460 HydrophobicContact CD1-CD2 4.21Å; L419-L460 PolarHBondContact N-O 2.96Å; M420-L460 HydrophobicContact CB-CB 3.8Å; M420-L460 HydrophobicContact CE-CB 4.02Å; M420-L460 HydrophobicContact CE-CD1 4.02Å; M420-L460 HydrophobicContact SD-CD1 4.3Å; I423-L460 HydrophobicContact CD1-CD1 3.45Å; I423-L460 VanDerWaalsContact CD1-CD1 3.45Å; I423-L460 HydrophobicContact CD1-CD2 3.7Å; I423-L460 HydrophobicContact CD1-CG 4.21Å; L460-N462 VanDerWaalsContact C-N 3.3Å; L460-N462 PolarHBondContact O-N 3.09Å; L460-L463 PolarHBondContact O-N 3.12Å; L460-Y498 PolarHBondContact N-OH 3.25Å; L460-L521 HydrophobicContact CD2-CD1 4.26Å; L460-L521 HydrophobicContact CD2-CD2 4.15Å; L460-L521 HydrophobicContact CD2-CG 3.83Å; L460-L521 HydrophobicContact CG-CG 4.34Å; L460-E524 HydrophobicContact CD1-CB 4.48Å; L460-E524 VanDerWaalsContact CD1-CD 3.44Å; L460-E524 HydrophobicContact CD1-CG 3.85Å; L460-M525 HydrophobicContact CD2-CG 3.97Å
461	D	94.9	Very high	96.4	Very high	72 Å²	72	21 Å²	21	39%	0.385	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-66.1	-30.2	178.5	-50.4	-98.3	0	0	0	113.1	K459 L463	K459-D461 VanDerWaalsContact C-N 3.26Å; K459-D461 HydrophobicContact CD-CB 4.3Å; K459-D461 HydrophobicContact CG-CB 4.29Å; K459-D461 PolarHBondContact O-N 3.49Å; D461-L463 VanDerWaalsContact C-N 3.31Å
462	N	96.6	Very high	96.5	Very high	15 Å²	15	16.7 Å²	16.7	8%	0.08	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-87.9	-0.1	179.7	-73.3	-7.4	0	0	0	112.8	Y455 D457 K459 L460 A474	Y455-N462 WeakPolarHBondContact OH-CB 3.39Å; Y455-N462 PolarHBondContact OH-ND2 3.03Å; D457-N462 PolarHBondContact O-ND2 3.27Å; D457-N462 PolarHBondContact OD2-ND2 2.68Å; K459-N462 VanDerWaalsContact CE-CG 3.5Å; K459-N462 WeakPolarHBondContact CE-ND2 3.28Å; K459-N462 WeakPolarHBondContact CE-OD1 3.42Å; K459-N462 HydrophobicContact CG-CB 4.18Å; K459-N462 PolarHBondContact O-N 3.31Å; L460-N462 VanDerWaalsContact C-N 3.3Å; L460-N462 PolarHBondContact O-N 3.09Å; N462-A474 PolarHBondContact O-N 3.37Å
463	L	98.1	Very high	96.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	89.3	177.8	-63.4	-172.6	0	0	0	110	D418 L419 V441 L458 L460 D461 I471 I473 L521	D418-L463 WeakPolarHBondContact CA-O 3.43Å; L419-L463 HydrophobicContact CB-CB 4.3Å; L419-L463 HydrophobicContact CD1-CB 3.99Å; L419-L463 HydrophobicContact CD1-CD1 3.77Å; L419-L463 HydrophobicContact CG-CB 4.01Å; L419-L463 PolarHBondContact N-O 3.4Å; V441-L463 HydrophobicContact CG2-CD1 3.5Å; V441-L463 HydrophobicContact CG2-CD2 3.84Å; V441-L463 HydrophobicContact CG2-CG 4.32Å; L458-L463 HydrophobicContact CD1-CD2 4.05Å; L460-L463 PolarHBondContact O-N 3.12Å; D461-L463 VanDerWaalsContact C-N 3.31Å; L463-I471 HydrophobicContact CB-CD1 4.25Å; L463-I471 HydrophobicContact CD2-CG2 4.2Å; L463-I473 HydrophobicContact CD2-CB 4.38Å; L463-I473 HydrophobicContact CD2-CD1 4.49Å; L463-I473 HydrophobicContact CD2-CG1 3.72Å; L463-I473 HydrophobicContact CD2-CG2 4.47Å; L463-L521 HydrophobicContact CD1-CD1 3.45Å; L463-L521 VanDerWaalsContact CD1-CD1 3.45Å; L463-L521 HydrophobicContact CD1-CD2 4.14Å; L463-L521 HydrophobicContact CD1-CG 4.35Å; L463-L521 HydrophobicContact CG-CD1 4.3Å
464	L	97.5	Very high	96.5	Very high	36 Å²	36	17 Å²	17	19%	0.188	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	159.2	178.6	-51.1	-177.4	0	0	0	111.1	V414 G417 D418 I471 K472 A474	V414-L464 HydrophobicContact CB-CB 4.25Å; V414-L464 HydrophobicContact CB-CD1 4.03Å; V414-L464 HydrophobicContact CG1-CB 3.58Å; V414-L464 HydrophobicContact CG1-CD1 4.29Å; V414-L464 HydrophobicContact CG2-CD1 4.49Å; G417-L464 CarbonylContact O-C 3.52Å; G417-L464 VanDerWaalsContact O-CA 3.28Å; G417-L464 WeakPolarHBondContact O-CA 3.16Å; D418-L464 HydrophobicContact CB-CD2 3.94Å; L464-I471 CarbonylContact O-C 3.57Å; L464-I471 WeakPolarHBondContact O-CA 3.33Å; L464-K472 HydrophobicContact CB-CB 4.16Å; L464-K472 WeakPolarHBondContact CB-O 3.3Å; L464-K472 PolarHBondContact N-O 3.26Å; L464-K472 PolarHBondContact O-N 2.99Å; L464-A474 HydrophobicContact CD1-CB 3.81Å; L464-A474 HydrophobicContact CG-CB 4.02Å
465	L	96.5	Very high	96.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.1	172.2	-65.5	180	0	0	0	110.3	V414 G416 G417 L419 R422 Y437 H470 I471 Y608 P610	V414-L465 WeakPolarHBondContact CG1-O 3.25Å; G416-L465 WeakPolarHBondContact CA-O 3.41Å; G416-L465 PolarHBondContact N-O 3.28Å; G417-L465 PolarHBondContact O-N 3.06Å; L419-L465 HydrophobicContact CD2-CD1 4.07Å; L419-L465 HydrophobicContact CD2-CD2 3.84Å; L419-L465 HydrophobicContact CD2-CG 4.08Å; R422-L465 HydrophobicContact CG-CD1 3.86Å; Y437-L465 HydrophobicContact CD1-CD2 4.41Å; Y437-L465 HydrophobicContact CE1-CD2 3.66Å; L465-H470 WeakPolarHBondContact CA-O 2.89Å; L465-I471 HydrophobicContact CD2-CD1 3.94Å; L465-Y608 HydrophobicContact CD1-CD1 4.02Å; L465-Y608 HydrophobicContact CD1-CE1 4.31Å; L465-P610 HydrophobicContact CB-CG 4.15Å; L465-P610 HydrophobicContact CD1-CG 4.44Å
466	D	94.3	Very high	96.2	Very high	15 Å²	15	19.9 Å²	19.9	8%	0.08	11%	0.11	C	C	.	.			trans	-77.5	-178.9	170.1	70.9	16.9	0	0	0	112.8	V414 D468 G469 H470 K472 R602 P610	V414-D466 HydrophobicContact CG1-CB 4.35Å; D466-D468 PolarHBondContact O-N 3.48Å; D466-D468 VanDerWaalsContact O-N 3.17Å; D466-D468 PolarHBondContact OD1-N 2.51Å; D466-D468 VanDerWaalsContact OD1-N 3.08Å; D466-G469 PolarHBondContact O-N 3.33Å; D466-G469 PolarHBondContact OD1-N 3.49Å; D466-H470 PolarHBondContact N-O 3.34Å; D466-H470 PolarHBondContact OD1-N 3.48Å; D466-K472 HydrophobicContact CB-CG 4.31Å; D466-R602 IonicContact OD1-NH2 3.6Å; D466-R602 IonicContact OD2-CZ 3.76Å; D466-R602 IonicContact OD2-NH1 2.7Å; D466-R602 PolarHBondContact OD2-NH1 2.97Å; D466-R602 IonicContact OD2-NH2 3.66Å; D466-R602 PolarHBondContact OD2-NH2 3.37Å; D466-P610 WeakPolarHBondContact O-CG 3.46Å
467	A	91.2	Very high	96	Very high	38 Å²	38	19.4 Å²	19.4	31%	0.314	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.5	-175.7	0	0	0	0	0	114.1	N415	N415-A467 PolarHBondContact OD1-N 3.12Å
468	D	91	Very high	95.9	Very high	80 Å²	80	21.6 Å²	21.6	43%	0.428	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-20.1	175.6	-67.5	-42.7	0	0	0	112.2	D466 R602 P606	D466-D468 PolarHBondContact O-N 3.48Å; D466-D468 VanDerWaalsContact O-N 3.17Å; D466-D468 PolarHBondContact OD1-N 2.51Å; D466-D468 VanDerWaalsContact OD1-N 3.08Å; D468-R602 IonicContact OD2-NH2 2.88Å; D468-P606 WeakPolarHBondContact O-CB 3.33Å; D468-P606 WeakPolarHBondContact O-CG 3.34Å
469	G	94.4	Very high	95.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	99.8	19.7	-179.7	0	0	0	0	0	114.5	Y437 D466 Y608	Y437-G469 WeakPolarHBondContact CE1-O 3.35Å; D466-G469 PolarHBondContact O-N 3.33Å; D466-G469 PolarHBondContact OD1-N 3.49Å; G469-Y608 WeakPolarHBondContact CA-O 3.44Å
470	H	97.1	Very high	95.9	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.037	13%	0.13	C	C	.	.			trans	-85.8	153.7	171.4	-70.2	-77.8	0	0	0	111.5	F436 E440 L465 D466 R602 V604 P606	F436-H470 AromaticContact CZ-CE1 3.98Å; F436-H470 AromaticContact CZ-ND1 3.77Å; E440-H470 IonicContact OE1-CE1 3.48Å; E440-H470 IonicContact OE1-CG 3.17Å; E440-H470 IonicContact OE1-ND1 3.81Å; E440-H470 PolarHBondContact OE1-ND1 3.42Å; E440-H470 IonicContact OE2-ND1 2.66Å; L465-H470 WeakPolarHBondContact CA-O 2.89Å; D466-H470 PolarHBondContact N-O 3.34Å; D466-H470 PolarHBondContact OD1-N 3.48Å; H470-R602 PolarHBondContact CD2-NH2 3.01Å; H470-V604 PolarHBondContact CE1-O 2.98Å; H470-P606 VanDerWaalsContact CE1-CG 3.47Å; H470-P606 WeakPolarHBondContact CE1-CG 3.37Å; H470-P606 VanDerWaalsContact NE2-CG 3.33Å; H470-P606 WeakPolarHBondContact NE2-CG 3.27Å
471	I	98.4	Very high	95.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	142.8	-179.9	-66.5	-69.7	0	0	0	112	F393 L419 Y437 E440 V441 L463 L464 L465 I473	F393-I471 VanDerWaalsContact CA-O 3.27Å; F393-I471 WeakPolarHBondContact CA-O 3.45Å; F393-I471 HydrophobicContact CD1-CB 4.47Å; L419-I471 HydrophobicContact CD1-CD1 3.64Å; L419-I471 HydrophobicContact CD2-CD1 4.21Å; L419-I471 HydrophobicContact CG-CD1 3.9Å; Y437-I471 HydrophobicContact CD1-CD1 3.66Å; Y437-I471 HydrophobicContact CD1-CG1 3.7Å; Y437-I471 HydrophobicContact CE1-CD1 4.29Å; Y437-I471 HydrophobicContact CE1-CG1 4.44Å; Y437-I471 HydrophobicContact CG-CD1 4.26Å; E440-I471 HydrophobicContact CB-CB 3.97Å; E440-I471 HydrophobicContact CB-CG1 3.93Å; E440-I471 WeakPolarHBondContact OE2-CB 3.3Å; E440-I471 VanDerWaalsContact OE2-CG1 3.31Å; E440-I471 WeakPolarHBondContact OE2-CG1 3.47Å; E440-I471 PolarHBondContact OE2-N 2.87Å; V441-I471 HydrophobicContact CG2-CD1 4.49Å; V441-I471 HydrophobicContact CG2-CG1 4.33Å; V441-I471 HydrophobicContact CG2-CG2 4.01Å; L463-I471 HydrophobicContact CB-CD1 4.25Å; L463-I471 HydrophobicContact CD2-CG2 4.2Å; L464-I471 CarbonylContact O-C 3.57Å; L464-I471 WeakPolarHBondContact O-CA 3.33Å; L465-I471 HydrophobicContact CD2-CD1 3.94Å; I471-I473 HydrophobicContact CG2-CG1 3.99Å
472	K	98.3	Very high	95.9	Very high	11 Å²	11	25 Å²	25	5%	0.048	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	101.3	165.7	-68.1	-69.6	-170.6	164.4	0	108.7	P392 F393 V395 E412 V414 L464 D466 A474	P392-K472 WeakPolarHBondContact O-CD 3.2Å; P392-K472 VanDerWaalsContact O-CE 3.27Å; P392-K472 WeakPolarHBondContact O-CE 3.35Å; P392-K472 PolarHBondContact O-NZ 2.93Å; F393-K472 CarbonylContact O-C 3.38Å; F393-K472 WeakPolarHBondContact O-CA 3.29Å; V395-K472 HydrophobicContact CG2-CB 3.95Å; E412-K472 VanDerWaalsContact CD-NZ 3.33Å; E412-K472 WeakPolarHBondContact OE1-CE 3.31Å; E412-K472 IonicContact OE1-NZ 2.71Å; E412-K472 PolarHBondContact OE1-NZ 3.23Å; E412-K472 VanDerWaalsContact OE2-CE 3.3Å; E412-K472 WeakPolarHBondContact OE2-CE 3.41Å; E412-K472 IonicContact OE2-NZ 2.75Å; E412-K472 PolarHBondContact OE2-NZ 3.07Å; V414-K472 HydrophobicContact CG1-CB 4.01Å; V414-K472 HydrophobicContact CG1-CG 3.94Å; V414-K472 HydrophobicContact CG2-CB 4.02Å; V414-K472 HydrophobicContact CG2-CG 3.88Å; L464-K472 HydrophobicContact CB-CB 4.16Å; L464-K472 WeakPolarHBondContact CB-O 3.3Å; L464-K472 PolarHBondContact N-O 3.26Å; L464-K472 PolarHBondContact O-N 2.99Å; D466-K472 HydrophobicContact CB-CG 4.31Å; K472-A474 PolarHBondContact O-N 3.48Å
473	I	98.5	Very high	95.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	121.9	173.3	-52.9	-179.3	0	0	0	108	F393 L394 V395 V441 Y455 L463 I471 F476	F393-I473 WeakPolarHBondContact O-CG1 3.43Å; F393-I473 PolarHBondContact O-N 2.66Å; L394-I473 HydrophobicContact CD2-CB 3.79Å; L394-I473 HydrophobicContact CD2-CD1 3.8Å; L394-I473 HydrophobicContact CD2-CG1 4.1Å; L394-I473 HydrophobicContact CD2-CG2 4.43Å; V395-I473 WeakPolarHBondContact CG2-O 3.38Å; V395-I473 PolarHBondContact N-O 3.17Å; V441-I473 HydrophobicContact CG1-CD1 4.41Å; Y455-I473 HydrophobicContact CD2-CG2 4.39Å; Y455-I473 HydrophobicContact CE1-CG2 4.24Å; Y455-I473 HydrophobicContact CE2-CG2 3.66Å; L463-I473 HydrophobicContact CD2-CB 4.38Å; L463-I473 HydrophobicContact CD2-CD1 4.49Å; L463-I473 HydrophobicContact CD2-CG1 3.72Å; L463-I473 HydrophobicContact CD2-CG2 4.47Å; I471-I473 HydrophobicContact CG2-CG1 3.99Å; I473-F476 HydrophobicContact CB-CZ 4.45Å; I473-F476 HydrophobicContact CG2-CE1 4.21Å; I473-F476 HydrophobicContact CG2-CZ 4.27Å; I473-F476 WeakPolarHBondContact O-CE2 3.5Å; I473-F476 WeakPolarHBondContact O-CZ 3.5Å
474	A	96.3	Very high	95.6	Very high	16 Å²	16	29.1 Å²	29.1	13%	0.132	17%	0.174	C	C	.	.			trans	-111.8	-178.1	-179.4	0	0	0	0	0	111.6	V395 Y455 N462 L464 K472	V395-A474 HydrophobicContact CG2-CB 3.87Å; Y455-A474 PolarHBondContact OH-O 3.17Å; N462-A474 PolarHBondContact O-N 3.37Å; L464-A474 HydrophobicContact CD1-CB 3.81Å; L464-A474 HydrophobicContact CG-CB 4.02Å; K472-A474 PolarHBondContact O-N 3.48Å
475	D	94.1	Very high	95.2	Very high	60 Å²	60	31.3 Å²	31.3	32%	0.321	20%	0.204	S	C	.	.			trans	49.5	84.5	174.5	-154.3	5.2	0	0	0	116.1	K362 Y455	K362-D475 IonicContact NZ-OD1 3.27Å; K362-D475 PolarHBondContact NZ-OD1 2.82Å; Y455-D475 PolarHBondContact OH-O 2.93Å
476	F	96.1	Very high	95	Very high	3 Å²	3	39 Å²	39	1%	0.013	25%	0.246	C	C	.	.			trans	-97.2	13.9	-178.5	-58.1	-86.2	0	0	0	113.2	E381 V384 L385 L394 L448 Y455 I473 M478 C479	E381-F476 HydrophobicContact CB-CB 4.5Å; E381-F476 HydrophobicContact CG-CB 4.18Å; V384-F476 HydrophobicContact CB-CB 4.05Å; V384-F476 HydrophobicContact CB-CD1 4.44Å; V384-F476 HydrophobicContact CB-CG 4.3Å; V384-F476 HydrophobicContact CG1-CB 3.98Å; V384-F476 HydrophobicContact CG1-CD1 3.46Å; V384-F476 VanDerWaalsContact CG1-CD1 3.46Å; V384-F476 HydrophobicContact CG1-CE1 4.05Å; V384-F476 HydrophobicContact CG1-CG 3.74Å; L385-F476 HydrophobicContact CD2-CD2 3.54Å; L385-F476 HydrophobicContact CD2-CE2 3.59Å; L385-F476 HydrophobicContact CG-CD2 3.8Å; L385-F476 HydrophobicContact CG-CE2 4.34Å; L394-F476 HydrophobicContact CB-CZ 4.16Å; L394-F476 HydrophobicContact CD2-CE1 4.12Å; L394-F476 HydrophobicContact CD2-CZ 4.02Å; L448-F476 HydrophobicContact CD1-CE1 4.29Å; Y455-F476 AromaticContact CD2-CD1 3.82Å; Y455-F476 HydrophobicContact CD2-CD1 3.82Å; Y455-F476 HydrophobicContact CD2-CE1 4.08Å; Y455-F476 AromaticContact CE2-CD1 3.62Å; Y455-F476 HydrophobicContact CE2-CD1 3.62Å; Y455-F476 AromaticContact CE2-CE1 3.82Å; Y455-F476 HydrophobicContact CE2-CE1 3.82Å; Y455-F476 HydrophobicContact CE2-CG 4.39Å; I473-F476 HydrophobicContact CB-CZ 4.45Å; I473-F476 HydrophobicContact CG2-CE1 4.21Å; I473-F476 HydrophobicContact CG2-CZ 4.27Å; I473-F476 WeakPolarHBondContact O-CE2 3.5Å; I473-F476 WeakPolarHBondContact O-CZ 3.5Å; F476-M478 PolarHBondContact O-N 3.36Å; F476-C479 VanDerWaalsContact O-CB 3.31Å; F476-C479 WeakPolarHBondContact O-CB 3.37Å; F476-C479 PolarHBondContact O-N 2.88Å; F476-C479 VanDerWaalsContact O-N 3.13Å
477	G	93.5	Very high	95.1	Very high	9 Å²	9	42 Å²	42	9%	0.093	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.7	-178.7	0	0	0	0	0	114	C377	C377-G477 WeakPolarHBondContact CA-O 3.48Å; C377-G477 WeakPolarHBondContact CB-O 3.48Å; C377-G477 PolarHBondContact SG-O 2.99Å
478	M	95	Very high	95.4	Very high	55 Å²	55	43.4 Å²	43.4	27%	0.271	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-1.2	179.7	-63.3	-65.9	-101.3	0	0	113.3	Y455 R456 D457 F476 C493	Y455-M478 CarbonylContact O-C 3.54Å; R456-M478 PolarHBondContact NE-O 3.32Å; R456-M478 PolarHBondContact NH2-O 2.66Å; D457-M478 HydrophobicContact CB-CB 3.8Å; D457-M478 HydrophobicContact CB-CG 3.91Å; F476-M478 PolarHBondContact O-N 3.36Å; M478-C493 HydrophobicContact CE-CB 3.6Å
479	C	97.9	Very high	95.6	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.02	25%	0.253	C	S	.	.			trans	-60.7	158.8	179	-77	0	0	0	0	112.5	I380 V384 I453 I454 R456 F476	I380-C479 HydrophobicContact CG1-CB 3.8Å; V384-C479 HydrophobicContact CG2-CB 3.86Å; I453-C479 HydrophobicContact CG2-CB 4.01Å; I454-C479 CarbonylContact O-C 3.57Å; I454-C479 WeakPolarHBondContact O-CA 3.47Å; R456-C479 PolarHBondContact NH2-O 3.13Å; F476-C479 VanDerWaalsContact O-CB 3.31Å; F476-C479 WeakPolarHBondContact O-CB 3.37Å; F476-C479 PolarHBondContact O-N 2.88Å; F476-C479 VanDerWaalsContact O-N 3.13Å
480	K	97.5	Very high	95.7	Very high	75 Å²	75	45.6 Å²	45.6	33%	0.326	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-136.2	122.7	166	-170.7	69.2	174.7	-177.4	0	109.4	I453 I454 I483	I453-K480 CarbonylContact C-O 3.55Å; I453-K480 VanDerWaalsContact CA-O 3.3Å; I453-K480 WeakPolarHBondContact CA-O 3.22Å; I454-K480 HydrophobicContact CD1-CB 4.1Å; I454-K480 HydrophobicContact CG1-CB 3.72Å; I454-K480 PolarHBondContact N-O 3.45Å; I454-K480 PolarHBondContact O-N 3.39Å; K480-I483 HydrophobicContact CB-CG1 4.35Å; K480-I483 HydrophobicContact CG-CD1 4.02Å; K480-I483 HydrophobicContact CG-CG1 3.99Å
481	D	96.2	Very high	95.7	Very high	54 Å²	54	48.3 Å²	48.3	29%	0.289	30%	0.295	S	S	.	.			trans	-89.5	168.2	173.8	57.4	-10.9	0	0	0	112.1	I380 R383 G452 I453 I483	I380-D481 HydrophobicContact CD1-CB 3.71Å; I380-D481 WeakPolarHBondContact CD1-OD1 3.39Å; I380-D481 WeakPolarHBondContact CD1-OD2 3.46Å; R383-D481 IonicContact CZ-OD2 4Å; R383-D481 IonicContact NE-OD2 2.78Å; R383-D481 PolarHBondContact NE-OD2 3.43Å; R383-D481 IonicContact NH2-OD1 3.52Å; R383-D481 PolarHBondContact NH2-OD1 2.81Å; R383-D481 IonicContact NH2-OD2 3.63Å; R383-D481 PolarHBondContact NH2-OD2 2.79Å; G452-D481 CarbonylContact O-C 3.58Å; I453-D481 HydrophobicContact CG1-CB 3.95Å; D481-I483 VanDerWaalsContact C-N 3.3Å; D481-I483 PolarHBondContact O-N 3.01Å
482	G	96.2	Very high	95.5	Very high	46 Å²	46	52.3 Å²	52.3	47%	0.474	31%	0.312	S	S	.	.			trans	78	10.7	178.6	0	0	0	0	0	114.7	G452 T484 V487	G452-G482 PolarHBondContact O-N 3.28Å; G482-T484 PolarHBondContact O-N 2.93Å; G482-V487 VanDerWaalsContact O-CG1 3.29Å; G482-V487 WeakPolarHBondContact O-CG1 3.37Å
483	I	96.1	Very high	95.3	Very high	20 Å²	20	52.5 Å²	52.5	10%	0.103	32%	0.315	C	S	.	.			trans	-89.9	78.6	179.1	-54.1	-56.8	0	0	0	108.8	G452 I454 K480 D481 V487	G452-I483 WeakPolarHBondContact CA-O 3.39Å; G452-I483 PolarHBondContact O-N 2.86Å; I454-I483 HydrophobicContact CD1-CG1 4.01Å; I454-I483 HydrophobicContact CD1-CG2 4.47Å; I454-I483 HydrophobicContact CG1-CG1 4.09Å; I454-I483 HydrophobicContact CG2-CB 4.14Å; I454-I483 HydrophobicContact CG2-CG1 4.49Å; I454-I483 HydrophobicContact CG2-CG2 3.88Å; K480-I483 HydrophobicContact CB-CG1 4.35Å; K480-I483 HydrophobicContact CG-CD1 4.02Å; K480-I483 HydrophobicContact CG-CG1 3.99Å; D481-I483 VanDerWaalsContact C-N 3.3Å; D481-I483 PolarHBondContact O-N 3.01Å; I483-V487 HydrophobicContact CD1-CG1 4.11Å; I483-V487 WeakPolarHBondContact CG2-O 3.45Å
484	T	92.7	Very high	95	Very high	83 Å²	83	53.5 Å²	53.5	51%	0.509	33%	0.325	S	S	.	.			trans	-124.7	148.7	176.8	57.1	0	0	0	0	111.3	G452 G482 D486 V487	G452-T484 VanDerWaalsContact CA-CG2 3.43Å; G482-T484 PolarHBondContact O-N 2.93Å; T484-D486 PolarHBondContact O-N 3.01Å; T484-V487 WeakPolarHBondContact O-CB 3.34Å; T484-V487 WeakPolarHBondContact O-CG2 3.46Å; T484-V487 PolarHBondContact O-N 2.77Å; T484-V487 VanDerWaalsContact O-N 3.11Å
485	G	88.8	Confident	95	Very high	81 Å²	81	54 Å²	54	84%	0.835	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	-124.7	-177.2	0	0	0	0	0	111.8
486	D	91	Very high	95.1	Very high	163 Å²	163	53.1 Å²	53.1	87%	0.872	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	2.1	-178.9	-59.3	-40.1	0	0	0	113.5	T484 T488	T484-D486 PolarHBondContact O-N 3.01Å; D486-T488 PolarHBondContact O-N 2.97Å
487	V	96.8	Very high	95.1	Very high	76 Å²	76	55.9 Å²	55.9	46%	0.461	34%	0.339	S	S	.	.			trans	-67.8	128.1	177	-178.3	0	0	0	0	109.4	G482 I483 T484	G482-V487 VanDerWaalsContact O-CG1 3.29Å; G482-V487 WeakPolarHBondContact O-CG1 3.37Å; I483-V487 HydrophobicContact CD1-CG1 4.11Å; I483-V487 WeakPolarHBondContact CG2-O 3.45Å; T484-V487 WeakPolarHBondContact O-CB 3.34Å; T484-V487 WeakPolarHBondContact O-CG2 3.46Å; T484-V487 PolarHBondContact O-N 2.77Å; T484-V487 VanDerWaalsContact O-N 3.11Å
488	T	97	Very high	95.3	Very high	68 Å²	68	55.9 Å²	55.9	42%	0.417	34%	0.337	S	S	.	.			trans	-131.1	167.9	-178.7	52	0	0	0	0	111.1	D486 P508 Y509	D486-T488 PolarHBondContact O-N 2.97Å; T488-P508 HydrophobicContact CG2-CB 4.32Å; T488-P508 WeakPolarHBondContact OG1-CB 3.5Å; T488-Y509 CarbonylContact C-O 3.54Å; T488-Y509 VanDerWaalsContact CA-O 3.29Å; T488-Y509 WeakPolarHBondContact CA-O 3.38Å; T488-Y509 VanDerWaalsContact CB-O 3.29Å; T488-Y509 WeakPolarHBondContact CB-O 3.17Å
489	T	97	Very high	95.4	Very high	16 Å²	16	53.5 Å²	53.5	10%	0.098	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-128.3	163.1	172.1	-170.5	0	0	0	0	110.8	I454 T491 P508 Y509	I454-T489 HydrophobicContact CD1-CG2 4.03Å; T489-T491 PolarHBondContact OG1-OG1 2.91Å; T489-T491 VanDerWaalsContact OG1-OG1 3.07Å; T489-P508 WeakPolarHBondContact O-CA 3.14Å; T489-Y509 HydrophobicContact CG2-CD2 3.96Å; T489-Y509 HydrophobicContact CG2-CE1 4.09Å; T489-Y509 HydrophobicContact CG2-CE2 3.36Å; T489-Y509 VanDerWaalsContact CG2-CZ 3.44Å; T489-Y509 PolarHBondContact N-O 3.4Å; T489-Y509 WeakPolarHBondContact O-CD1 3.44Å; T489-Y509 PolarHBondContact O-N 2.99Å
490	H	96.2	Very high	95.4	Very high	111 Å²	111	53.4 Å²	53.4	51%	0.514	32%	0.324	S	S	.	.			trans	-122	5.9	179.4	-64	-92.9	0	0	0	112.8	F492 P508	H490-F492 PolarHBondContact O-N 2.9Å; H490-P508 WeakPolarHBondContact CE1-CB 3.33Å; H490-P508 WeakPolarHBondContact CE1-CD 3.14Å; H490-P508 WeakPolarHBondContact CE1-CG 3.39Å
491	T	95.8	Very high	95.4	Very high	65 Å²	65	50 Å²	50	40%	0.399	31%	0.31	S	S	.	.			trans	-63.5	124.6	-174.6	-45.9	0	0	0	0	109.4	T489 C493 Y509	T489-T491 PolarHBondContact OG1-OG1 2.91Å; T489-T491 VanDerWaalsContact OG1-OG1 3.07Å; T491-C493 PolarHBondContact O-N 3.33Å; T491-Y509 WeakPolarHBondContact O-CE1 3.39Å; T491-Y509 PolarHBondContact O-OH 3.2Å
492	F	95.8	Very high	95.5	Very high	83 Å²	83	47.7 Å²	47.7	36%	0.364	30%	0.297	S	S	.	.			trans	-80.5	109.7	174.7	-172.8	-81.6	0	0	0	109.1	H490 I499 I503 L504 Y506 F541	H490-F492 PolarHBondContact O-N 2.9Å; F492-I499 HydrophobicContact CE1-CD1 4.15Å; F492-I499 HydrophobicContact CE2-CD1 4.29Å; F492-I499 HydrophobicContact CZ-CD1 3.88Å; F492-I503 HydrophobicContact CD2-CG2 3.88Å; F492-I503 HydrophobicContact CE2-CG2 4.3Å; F492-I503 HydrophobicContact CG-CG2 4.27Å; F492-L504 HydrophobicContact CE2-CD2 3.91Å; F492-L504 HydrophobicContact CZ-CD2 3.95Å; F492-Y506 HydrophobicContact CB-CE1 4.1Å; F492-Y506 HydrophobicContact CD2-CD1 4.38Å; F492-Y506 AromaticContact CD2-CE1 3.76Å; F492-Y506 HydrophobicContact CD2-CE1 3.76Å; F492-Y506 AromaticContact CD2-CZ 3.95Å; F492-Y506 HydrophobicContact CG-CE1 4.23Å; F492-F541 HydrophobicContact CZ-CE2 4.24Å; F492-F541 HydrophobicContact CZ-CZ 4.35Å
493	C	93.9	Very high	95.6	Very high	15 Å²	15	45.9 Å²	45.9	10%	0.101	28%	0.276	C	S	.	.			trans	-159.5	163.6	-179.4	69.4	0	0	0	0	111.5	R456 M478 T491	R456-C493 PolarHBondContact NH1-SG 3.28Å; R456-C493 VanDerWaalsContact NH1-SG 3.36Å; M478-C493 HydrophobicContact CE-CB 3.6Å; T491-C493 PolarHBondContact O-N 3.33Å
494	G	92.4	Very high	95.7	Very high	21 Å²	21	45.8 Å²	45.8	22%	0.216	28%	0.276	C	S	.	.	S	Bend	trans	125.6	169.7	178.4	0	0	0	0	0	112.1	R456	R456-G494 WeakPolarHBondContact O-CA 3.2Å
495	T	94.8	Very high	95.9	Very high	27 Å²	27	45.9 Å²	45.9	17%	0.166	27%	0.273	C	S	.	.			trans	-79.1	129.3	174.6	-62.5	0	0	0	0	110.1	D457 K459 D497 Y498 I499	D457-T495 PolarHBondContact OD1-N 2.99Å; D457-T495 PolarHBondContact OD1-OG1 2.67Å; K459-T495 HydrophobicContact CD-CG2 4.18Å; K459-T495 WeakPolarHBondContact CD-OG1 3.27Å; K459-T495 PolarHBondContact NZ-OG1 3.49Å; T495-D497 VanDerWaalsContact C-N 3.33Å; T495-D497 PolarHBondContact O-N 3.4Å; T495-D497 VanDerWaalsContact O-N 3.16Å; T495-Y498 HydrophobicContact CG2-CD2 3.9Å; T495-Y498 HydrophobicContact CG2-CE2 4.46Å; T495-Y498 CarbonylContact O-C 3.46Å; T495-Y498 PolarHBondContact O-N 3.3Å; T495-I499 PolarHBondContact O-N 3.32Å
496	P	96.2	Very high	96.3	Very high	42 Å²	42	49.8 Å²	49.8	27%	0.273	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-48	-44.6	-172.9	-33.3	37.3	0	0	0	115.6	Y498 I499 L540 F541 I544	P496-Y498 PolarHBondContact O-N 2.7Å; P496-I499 WeakPolarHBondContact O-CG2 3.34Å; P496-I499 PolarHBondContact O-N 3.06Å; P496-L540 HydrophobicContact CB-CD2 3.89Å; P496-F541 HydrophobicContact CB-CE1 4.01Å; P496-I544 WeakPolarHBondContact O-CD1 3.31Å
497	D	95.8	Very high	96.6	Very high	61 Å²	61	47.4 Å²	47.4	33%	0.326	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-67.3	-24.3	-179	-54.4	-79.8	0	0	0	113.7	T495 V520	T495-D497 VanDerWaalsContact C-N 3.33Å; T495-D497 PolarHBondContact O-N 3.4Å; T495-D497 VanDerWaalsContact O-N 3.16Å; D497-V520 WeakPolarHBondContact O-CG1 3.28Å
498	Y	98.1	Very high	96.6	Very high	9 Å²	9	47.2 Å²	47.2	4%	0.035	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-107.8	-2.7	-174.6	-62.9	-96.2	0	0	0	113.1	L458 K459 L460 T495 P496 S517 V520 L521 E524	L458-Y498 WeakPolarHBondContact O-CD1 3.36Å; K459-Y498 HydrophobicContact CB-CD1 4.32Å; K459-Y498 HydrophobicContact CB-CD2 3.76Å; K459-Y498 HydrophobicContact CB-CE1 4.07Å; K459-Y498 HydrophobicContact CB-CE2 3.45Å; K459-Y498 VanDerWaalsContact CB-CE2 3.45Å; K459-Y498 HydrophobicContact CB-CG 4.17Å; L460-Y498 PolarHBondContact N-OH 3.25Å; T495-Y498 HydrophobicContact CG2-CD2 3.9Å; T495-Y498 HydrophobicContact CG2-CE2 4.46Å; T495-Y498 CarbonylContact O-C 3.46Å; T495-Y498 PolarHBondContact O-N 3.3Å; P496-Y498 PolarHBondContact O-N 2.7Å; Y498-S517 PolarHBondContact O-OG 3.37Å; Y498-V520 HydrophobicContact CD1-CB 3.84Å; Y498-V520 HydrophobicContact CD1-CG1 3.46Å; Y498-V520 VanDerWaalsContact CD1-CG1 3.46Å; Y498-V520 HydrophobicContact CE1-CB 4.35Å; Y498-V520 HydrophobicContact CE1-CG1 3.73Å; Y498-V520 HydrophobicContact CG-CG1 4.02Å; Y498-L521 HydrophobicContact CE1-CB 4.07Å; Y498-E524 VanDerWaalsContact CZ-OE2 3.24Å; Y498-E524 PolarHBondContact OH-OE2 2.91Å
499	I	97.4	Very high	96.6	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	23%	0.227	C	C	.	.			trans	-69.4	138.3	-173.1	-158.7	168.5	0	0	0	111.3	F492 T495 P496 I503 L504 W516 F541 I544	F492-I499 HydrophobicContact CE1-CD1 4.15Å; F492-I499 HydrophobicContact CE2-CD1 4.29Å; F492-I499 HydrophobicContact CZ-CD1 3.88Å; T495-I499 PolarHBondContact O-N 3.32Å; P496-I499 WeakPolarHBondContact O-CG2 3.34Å; P496-I499 PolarHBondContact O-N 3.06Å; I499-I503 HydrophobicContact CD1-CB 4.37Å; I499-I503 HydrophobicContact CD1-CG2 3.86Å; I499-I503 HydrophobicContact CG1-CB 4.04Å; I499-I503 HydrophobicContact CG1-CD1 4.1Å; I499-I503 HydrophobicContact CG1-CG2 4.03Å; I499-L504 HydrophobicContact CD1-CD2 4Å; I499-L504 HydrophobicContact CG1-CD2 4.48Å; I499-L504 HydrophobicContact CG2-CD1 4.03Å; I499-L504 HydrophobicContact CG2-CD2 3.78Å; I499-L504 HydrophobicContact CG2-CG 3.92Å; I499-W516 PolarHBondContact O-NE1 2.91Å; I499-F541 HydrophobicContact CG2-CD1 4.43Å; I499-F541 HydrophobicContact CG2-CE1 4.09Å; I499-I544 HydrophobicContact CG2-CD1 3.89Å
500	A	98.1	Very high	96.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	23%	0.229	C	C	.	.			trans	-79.6	145	-177.2	0	0	0	0	0	112.3	E502 I503 L504 V513 W516	A500-E502 HydrophobicContact CB-CG 4.3Å; A500-E502 PolarHBondContact O-N 2.79Å; A500-I503 HydrophobicContact CB-CD1 4.23Å; A500-I503 HydrophobicContact CB-CG1 4.24Å; A500-I503 WeakPolarHBondContact O-CB 3.07Å; A500-I503 PolarHBondContact O-N 3.17Å; A500-L504 PolarHBondContact O-N 3.03Å; A500-V513 HydrophobicContact CB-CB 3.86Å; A500-V513 HydrophobicContact CB-CG1 3.79Å; A500-W516 VanDerWaalsContact CA-CD1 3.49Å; A500-W516 HydrophobicContact CB-CB 3.91Å; A500-W516 HydrophobicContact CB-CG 3.86Å
501	P	98.1	Very high	96.5	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.019	22%	0.221	C	C	.	.	H	α-helix	trans	-54.3	-37.5	179.3	-28.4	33.7	0	0	0	113.8	I503 L504 L505 W516 I544 L545 R569	P501-I503 VanDerWaalsContact C-N 3.27Å; P501-I503 PolarHBondContact O-N 2.84Å; P501-L504 PolarHBondContact O-N 2.68Å; P501-L505 WeakPolarHBondContact O-CB 3.42Å; P501-L505 VanDerWaalsContact O-CG 3.23Å; P501-L505 WeakPolarHBondContact O-CG 3.34Å; P501-L505 PolarHBondContact O-N 2.72Å; P501-W516 VanDerWaalsContact CD-CD2 3.43Å; P501-W516 VanDerWaalsContact CD-CE2 3.4Å; P501-W516 HydrophobicContact CG-CD2 4.2Å; P501-W516 HydrophobicContact CG-CE3 3.99Å; P501-W516 HydrophobicContact CG-CH2 3.43Å; P501-W516 VanDerWaalsContact CG-CH2 3.43Å; P501-W516 HydrophobicContact CG-CZ2 3.67Å; P501-W516 HydrophobicContact CG-CZ3 3.6Å; P501-I544 HydrophobicContact CG-CG2 3.98Å; P501-L545 HydrophobicContact CB-CD2 3.97Å; P501-R569 HydrophobicContact CG-CB 4.48Å; P501-R569 HydrophobicContact CG-CG 4.12Å
502	E	97.6	Very high	96.6	Very high	7 Å²	7	40.2 Å²	40.2	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-28.6	178.6	59.4	-94	-139.3	0	0	113.4	A500 Y506 K507 S512 V513 P571 R574	A500-E502 HydrophobicContact CB-CG 4.3Å; A500-E502 PolarHBondContact O-N 2.79Å; E502-Y506 PolarHBondContact O-N 3.15Å; E502-K507 HydrophobicContact CB-CB 4.27Å; E502-K507 PolarHBondContact O-N 3.16Å; E502-S512 PolarHBondContact OE1-OG 2.85Å; E502-V513 HydrophobicContact CG-CG1 3.86Å; E502-V513 WeakPolarHBondContact OE1-CG1 3.08Å; E502-P571 HydrophobicContact CB-CG 4.28Å; E502-P571 HydrophobicContact CG-CG 4.27Å; E502-R574 IonicContact OE1-CZ 3.54Å; E502-R574 IonicContact OE1-NH1 3.01Å; E502-R574 PolarHBondContact OE1-NH1 3.09Å; E502-R574 IonicContact OE1-NH2 3.37Å; E502-R574 PolarHBondContact OE1-NH2 3.33Å; E502-R574 IonicContact OE2-CZ 2.7Å; E502-R574 IonicContact OE2-NH1 2.72Å; E502-R574 IonicContact OE2-NH2 2.68Å; E502-R574 PolarHBondContact OE2-NH2 3.46Å
503	I	98	Very high	96.7	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.036	19%	0.19	C	C	.	.	H	α-helix	trans	-71	-47.1	174.1	-56.7	178.4	0	0	0	109.5	F492 I499 A500 P501 L505 Y506 Y509 V513	F492-I503 HydrophobicContact CD2-CG2 3.88Å; F492-I503 HydrophobicContact CE2-CG2 4.3Å; F492-I503 HydrophobicContact CG-CG2 4.27Å; I499-I503 HydrophobicContact CD1-CB 4.37Å; I499-I503 HydrophobicContact CD1-CG2 3.86Å; I499-I503 HydrophobicContact CG1-CB 4.04Å; I499-I503 HydrophobicContact CG1-CD1 4.1Å; I499-I503 HydrophobicContact CG1-CG2 4.03Å; A500-I503 HydrophobicContact CB-CD1 4.23Å; A500-I503 HydrophobicContact CB-CG1 4.24Å; A500-I503 WeakPolarHBondContact O-CB 3.07Å; A500-I503 PolarHBondContact O-N 3.17Å; P501-I503 VanDerWaalsContact C-N 3.27Å; P501-I503 PolarHBondContact O-N 2.84Å; I503-L505 PolarHBondContact O-N 3.11Å; I503-Y506 PolarHBondContact O-N 2.98Å; I503-Y509 HydrophobicContact CB-CE1 4.49Å; I503-Y509 HydrophobicContact CD1-CE1 4.35Å; I503-Y509 HydrophobicContact CD1-CE2 4.44Å; I503-Y509 HydrophobicContact CG1-CD1 3.82Å; I503-Y509 HydrophobicContact CG1-CE1 3.74Å; I503-Y509 HydrophobicContact CG1-CE2 4.5Å; I503-Y509 HydrophobicContact CG1-CG 4.26Å; I503-Y509 HydrophobicContact CG2-CE1 4.46Å; I503-V513 HydrophobicContact CD1-CB 4.11Å; I503-V513 HydrophobicContact CD1-CG1 3.91Å; I503-V513 HydrophobicContact CG1-CG1 3.92Å
504	L	97.5	Very high	96.9	Very high	19 Å²	19	35.6 Å²	35.6	10%	0.099	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-31.6	176.2	-63.7	-179.2	0	0	0	113	F492 I499 A500 P501 Y506 F541 I544 L545	F492-L504 HydrophobicContact CE2-CD2 3.91Å; F492-L504 HydrophobicContact CZ-CD2 3.95Å; I499-L504 HydrophobicContact CD1-CD2 4Å; I499-L504 HydrophobicContact CG1-CD2 4.48Å; I499-L504 HydrophobicContact CG2-CD1 4.03Å; I499-L504 HydrophobicContact CG2-CD2 3.78Å; I499-L504 HydrophobicContact CG2-CG 3.92Å; A500-L504 PolarHBondContact O-N 3.03Å; P501-L504 PolarHBondContact O-N 2.68Å; L504-Y506 VanDerWaalsContact C-N 3.29Å; L504-F541 HydrophobicContact CD1-CB 3.97Å; L504-F541 HydrophobicContact CD1-CD1 3.99Å; L504-F541 HydrophobicContact CD1-CG 4.06Å; L504-F541 HydrophobicContact CD2-CB 4.33Å; L504-F541 HydrophobicContact CD2-CD1 3.67Å; L504-F541 HydrophobicContact CD2-CD2 3.8Å; L504-F541 HydrophobicContact CD2-CE1 3.82Å; L504-F541 HydrophobicContact CD2-CE2 3.93Å; L504-F541 HydrophobicContact CD2-CG 3.66Å; L504-F541 HydrophobicContact CD2-CZ 3.95Å; L504-I544 HydrophobicContact CD1-CB 3.96Å; L504-I544 HydrophobicContact CD1-CD1 4.25Å; L504-I544 HydrophobicContact CD1-CG2 3.65Å; L504-L545 HydrophobicContact CB-CD2 4.19Å; L504-L545 HydrophobicContact CD1-CD2 4.37Å; L504-L545 HydrophobicContact CD1-CG 4.25Å
505	L	97.1	Very high	97.2	Very high	84 Å²	84	34.7 Å²	34.7	44%	0.44	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	7.2	176.9	-64	172.8	0	0	0	113.5	P501 I503 K507 L545	P501-L505 WeakPolarHBondContact O-CB 3.42Å; P501-L505 VanDerWaalsContact O-CG 3.23Å; P501-L505 WeakPolarHBondContact O-CG 3.34Å; P501-L505 PolarHBondContact O-N 2.72Å; I503-L505 PolarHBondContact O-N 3.11Å; L505-K507 HydrophobicContact CB-CD 4.17Å; L505-K507 HydrophobicContact CB-CG 4.04Å; L505-K507 HydrophobicContact CD1-CD 4.45Å; L505-K507 PolarHBondContact O-N 3.14Å; L505-K507 VanDerWaalsContact O-N 3.11Å; L505-L545 HydrophobicContact CD1-CD2 4.06Å; L505-L545 HydrophobicContact CD2-CD1 4.11Å; L505-L545 HydrophobicContact CD2-CD2 3.95Å; L505-L545 HydrophobicContact CG-CD2 3.75Å
506	Y	96.7	Very high	97.4	Very high	163 Å²	163	33.4 Å²	33.4	64%	0.639	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	29.9	-176.5	-63.6	-84.8	0	0	0	114.1	F492 E502 I503 L504	F492-Y506 HydrophobicContact CB-CE1 4.1Å; F492-Y506 HydrophobicContact CD2-CD1 4.38Å; F492-Y506 AromaticContact CD2-CE1 3.76Å; F492-Y506 HydrophobicContact CD2-CE1 3.76Å; F492-Y506 AromaticContact CD2-CZ 3.95Å; F492-Y506 HydrophobicContact CG-CE1 4.23Å; E502-Y506 PolarHBondContact O-N 3.15Å; I503-Y506 PolarHBondContact O-N 2.98Å; L504-Y506 VanDerWaalsContact C-N 3.29Å
507	K	97.5	Very high	97.5	Very high	114 Å²	114	31.6 Å²	31.6	50%	0.496	16%	0.156	S	C	.	.			trans	-83.3	148.2	178.5	-68.7	179.8	-179.4	176.3	0	110.2	E502 L505 Y509	E502-K507 HydrophobicContact CB-CB 4.27Å; E502-K507 PolarHBondContact O-N 3.16Å; L505-K507 HydrophobicContact CB-CD 4.17Å; L505-K507 HydrophobicContact CB-CG 4.04Å; L505-K507 HydrophobicContact CD1-CD 4.45Å; L505-K507 PolarHBondContact O-N 3.14Å; L505-K507 VanDerWaalsContact O-N 3.11Å; K507-Y509 WeakPolarHBondContact O-CD1 3.36Å; K507-Y509 PolarHBondContact O-N 3.32Å
508	P	97.2	Very high	97.6	Very high	71 Å²	71	28.7 Å²	28.7	46%	0.461	14%	0.14	S	C	.	.			trans	-58.3	135.7	169.8	9.5	-11.3	0	0	0	110.2	T488 T489 H490	T488-P508 HydrophobicContact CG2-CB 4.32Å; T488-P508 WeakPolarHBondContact OG1-CB 3.5Å; T489-P508 WeakPolarHBondContact O-CA 3.14Å; H490-P508 WeakPolarHBondContact CE1-CB 3.33Å; H490-P508 WeakPolarHBondContact CE1-CD 3.14Å; H490-P508 WeakPolarHBondContact CE1-CG 3.39Å
509	Y	97.1	Very high	97.6	Very high	6 Å²	6	28.3 Å²	28.3	2%	0.024	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-138.3	160.1	-177.7	66.6	-98.5	0	0	0	112	I454 R456 T488 T489 T491 I503 K507 V513	I454-Y509 HydrophobicContact CD1-CD2 4.28Å; I454-Y509 HydrophobicContact CD1-CE2 3.89Å; R456-Y509 PolarHBondContact NH1-OH 3.38Å; T488-Y509 CarbonylContact C-O 3.54Å; T488-Y509 VanDerWaalsContact CA-O 3.29Å; T488-Y509 WeakPolarHBondContact CA-O 3.38Å; T488-Y509 VanDerWaalsContact CB-O 3.29Å; T488-Y509 WeakPolarHBondContact CB-O 3.17Å; T489-Y509 HydrophobicContact CG2-CD2 3.96Å; T489-Y509 HydrophobicContact CG2-CE1 4.09Å; T489-Y509 HydrophobicContact CG2-CE2 3.36Å; T489-Y509 VanDerWaalsContact CG2-CZ 3.44Å; T489-Y509 PolarHBondContact N-O 3.4Å; T489-Y509 WeakPolarHBondContact O-CD1 3.44Å; T489-Y509 PolarHBondContact O-N 2.99Å; T491-Y509 WeakPolarHBondContact O-CE1 3.39Å; T491-Y509 PolarHBondContact O-OH 3.2Å; I503-Y509 HydrophobicContact CB-CE1 4.49Å; I503-Y509 HydrophobicContact CD1-CE1 4.35Å; I503-Y509 HydrophobicContact CD1-CE2 4.44Å; I503-Y509 HydrophobicContact CG1-CD1 3.82Å; I503-Y509 HydrophobicContact CG1-CE1 3.74Å; I503-Y509 HydrophobicContact CG1-CE2 4.5Å; I503-Y509 HydrophobicContact CG1-CG 4.26Å; I503-Y509 HydrophobicContact CG2-CE1 4.46Å; K507-Y509 WeakPolarHBondContact O-CD1 3.36Å; K507-Y509 PolarHBondContact O-N 3.32Å; Y509-V513 HydrophobicContact CD2-CB 4.34Å; Y509-V513 HydrophobicContact CD2-CG1 3.44Å; Y509-V513 VanDerWaalsContact CD2-CG1 3.44Å; Y509-V513 HydrophobicContact CD2-CG2 3.93Å; Y509-V513 HydrophobicContact CE2-CG1 4.16Å; Y509-V513 HydrophobicContact CE2-CG2 4.1Å; Y509-V513 HydrophobicContact CG-CG1 3.69Å
510	G	95.9	Very high	97.7	Very high	14 Å²	14	28.1 Å²	28.1	14%	0.144	14%	0.137	C	C	.	.			trans	-131.6	-142.9	174.9	0	0	0	0	0	110.3	S512 V513	G510-S512 PolarHBondContact O-N 3.38Å; G510-V513 WeakPolarHBondContact O-CG2 3.11Å; G510-V513 PolarHBondContact O-N 3.48Å
511	K	96	Very high	97.7	Very high	80 Å²	80	28.1 Å²	28.1	35%	0.348	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-11	-177.5	72.8	177.9	-176	177.5	0	115.9	H449 I454 V513 D514	H449-K511 HydrophobicContact CB-CD 4.15Å; I454-K511 VanDerWaalsContact CG2-CA 3.45Å; I454-K511 HydrophobicContact CG2-CB 3.84Å; K511-V513 PolarHBondContact O-N 3.34Å; K511-D514 PolarHBondContact O-N 2.96Å
512	S	96.7	Very high	97.7	Very high	13 Å²	13	28 Å²	28	9%	0.091	14%	0.136	C	C	.	.	H	α-helix	trans	-59.9	-31.6	180	59.2	0	0	0	0	113.3	E502 G510 D514 W515 W516 R574 C577	E502-S512 PolarHBondContact OE1-OG 2.85Å; G510-S512 PolarHBondContact O-N 3.38Å; S512-D514 VanDerWaalsContact C-N 3.32Å; S512-D514 PolarHBondContact O-N 3.29Å; S512-W515 PolarHBondContact O-N 3.11Å; S512-W516 PolarHBondContact O-N 3.26Å; S512-R574 VanDerWaalsContact C-NH1 3.32Å; S512-R574 PolarHBondContact O-NH1 3.32Å; S512-C577 VanDerWaalsContact CA-SG 3.56Å; S512-C577 WeakPolarHBondContact CB-SG 3.41Å
513	V	98.1	Very high	97.8	Very high	1 Å²	1	28 Å²	28	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-65.7	-36.6	-177.4	-57.9	0	0	0	0	111.7	R456 A500 E502 I503 Y509 G510 K511 W515 W516 S517	R456-V513 HydrophobicContact CG-CG2 4.16Å; A500-V513 HydrophobicContact CB-CB 3.86Å; A500-V513 HydrophobicContact CB-CG1 3.79Å; E502-V513 HydrophobicContact CG-CG1 3.86Å; E502-V513 WeakPolarHBondContact OE1-CG1 3.08Å; I503-V513 HydrophobicContact CD1-CB 4.11Å; I503-V513 HydrophobicContact CD1-CG1 3.91Å; I503-V513 HydrophobicContact CG1-CG1 3.92Å; Y509-V513 HydrophobicContact CD2-CB 4.34Å; Y509-V513 HydrophobicContact CD2-CG1 3.44Å; Y509-V513 VanDerWaalsContact CD2-CG1 3.44Å; Y509-V513 HydrophobicContact CD2-CG2 3.93Å; Y509-V513 HydrophobicContact CE2-CG1 4.16Å; Y509-V513 HydrophobicContact CE2-CG2 4.1Å; Y509-V513 HydrophobicContact CG-CG1 3.69Å; G510-V513 WeakPolarHBondContact O-CG2 3.11Å; G510-V513 PolarHBondContact O-N 3.48Å; K511-V513 PolarHBondContact O-N 3.34Å; V513-W515 VanDerWaalsContact C-N 3.28Å; V513-W515 PolarHBondContact O-N 2.88Å; V513-W516 WeakPolarHBondContact O-CB 3.45Å; V513-W516 PolarHBondContact O-N 3.21Å; V513-W516 VanDerWaalsContact O-N 3.1Å; V513-S517 PolarHBondContact O-N 3.49Å; V513-S517 PolarHBondContact O-OG 3.01Å
514	D	98.4	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.5	-36.1	177.3	-66.1	-19.8	0	0	0	111.1	L445 H449 I454 Y455 R456 K511 S512 W516 S517 Y518	L445-D514 HydrophobicContact CD2-CB 4.35Å; H449-D514 IonicContact CD2-OD2 2.7Å; H449-D514 IonicContact CE1-OD2 3.38Å; H449-D514 IonicContact NE2-OD2 3.48Å; H449-D514 PolarHBondContact NE2-OD2 3.29Å; I454-D514 WeakPolarHBondContact CA-OD2 3.38Å; Y455-D514 PolarHBondContact N-OD1 3.1Å; Y455-D514 PolarHBondContact N-OD2 2.87Å; R456-D514 PolarHBondContact N-OD1 2.96Å; K511-D514 PolarHBondContact O-N 2.96Å; S512-D514 VanDerWaalsContact C-N 3.32Å; S512-D514 PolarHBondContact O-N 3.29Å; D514-W516 VanDerWaalsContact C-N 3.32Å; D514-W516 PolarHBondContact O-N 3.07Å; D514-S517 PolarHBondContact O-N 2.88Å; D514-Y518 WeakPolarHBondContact O-CB 3.37Å; D514-Y518 PolarHBondContact O-N 2.79Å
515	W	98.5	Very high	97.8	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-71.8	-25.3	176.1	-65.1	120.8	0	0	0	113.4	A442 L445 F446 H449 S512 V513 Y518 G519 L566 G576 I585	A442-W515 HydrophobicContact CB-CH2 4.42Å; A442-W515 HydrophobicContact CB-CZ3 4.43Å; L445-W515 HydrophobicContact CB-CH2 3.99Å; L445-W515 HydrophobicContact CB-CZ2 4.4Å; L445-W515 HydrophobicContact CD1-CE3 4.35Å; L445-W515 HydrophobicContact CD1-CH2 4.12Å; L445-W515 HydrophobicContact CD1-CZ3 3.87Å; F446-W515 AromaticContact CD1-CH2 3.75Å; F446-W515 HydrophobicContact CD1-CH2 3.75Å; F446-W515 AromaticContact CD1-CZ2 3.73Å; F446-W515 HydrophobicContact CD1-CZ2 3.73Å; F446-W515 AromaticContact CE1-CH2 3.29Å; F446-W515 HydrophobicContact CE1-CH2 3.29Å; F446-W515 AromaticContact CE1-CZ2 3.48Å; F446-W515 HydrophobicContact CE1-CZ2 3.48Å; F446-W515 VanDerWaalsContact CE1-CZ2 3.48Å; F446-W515 HydrophobicContact CE1-CZ3 4.42Å; F446-W515 HydrophobicContact CZ-CH2 4.04Å; H449-W515 AromaticContact CE1-CE2 3.77Å; H449-W515 AromaticContact CE1-CZ2 3.93Å; H449-W515 AromaticContact CE1-NE1 3.53Å; H449-W515 AromaticContact ND1-CE2 3.89Å; H449-W515 AromaticContact ND1-CZ2 3.82Å; H449-W515 AromaticContact ND1-NE1 3.57Å; S512-W515 PolarHBondContact O-N 3.11Å; V513-W515 VanDerWaalsContact C-N 3.28Å; V513-W515 PolarHBondContact O-N 2.88Å; W515-Y518 AromaticContact CE3-CD1 3.92Å; W515-Y518 HydrophobicContact CE3-CD1 3.92Å; W515-Y518 AromaticContact CE3-CG 3.96Å; W515-Y518 HydrophobicContact CE3-CG 3.96Å; W515-Y518 HydrophobicContact CZ3-CD1 4.1Å; W515-Y518 HydrophobicContact CZ3-CD2 4.27Å; W515-Y518 HydrophobicContact CZ3-CE1 4.34Å; W515-Y518 HydrophobicContact CZ3-CE2 4.49Å; W515-Y518 HydrophobicContact CZ3-CG 4.06Å; W515-G519 PolarHBondContact O-N 3Å; W515-G519 VanDerWaalsContact O-N 3.1Å; W515-L566 HydrophobicContact CB-CD2 4.31Å; W515-L566 HydrophobicContact CE3-CD2 4.43Å; W515-G576 PolarHBondContact NE1-O 3.49Å; W515-I585 HydrophobicContact CD2-CD1 3.56Å; W515-I585 HydrophobicContact CE3-CD1 3.48Å; W515-I585 VanDerWaalsContact CE3-CD1 3.48Å; W515-I585 HydrophobicContact CG-CD1 4.47Å; W515-I585 HydrophobicContact CH2-CD1 3.42Å; W515-I585 VanDerWaalsContact CH2-CD1 3.42Å; W515-I585 HydrophobicContact CZ2-CD1 3.46Å; W515-I585 VanDerWaalsContact CZ2-CD1 3.46Å; W515-I585 HydrophobicContact CZ3-CD1 3.42Å; W515-I585 VanDerWaalsContact CZ3-CD1 3.42Å
516	W	98.7	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.7	-53.6	168.6	173.5	-86.1	0	0	0	110.7	I499 A500 P501 S512 V513 D514 Y518 G519 V520 F532 I544 L567 R569	I499-W516 PolarHBondContact O-NE1 2.91Å; A500-W516 VanDerWaalsContact CA-CD1 3.49Å; A500-W516 HydrophobicContact CB-CB 3.91Å; A500-W516 HydrophobicContact CB-CG 3.86Å; P501-W516 VanDerWaalsContact CD-CD2 3.43Å; P501-W516 VanDerWaalsContact CD-CE2 3.4Å; P501-W516 HydrophobicContact CG-CD2 4.2Å; P501-W516 HydrophobicContact CG-CE3 3.99Å; P501-W516 HydrophobicContact CG-CH2 3.43Å; P501-W516 VanDerWaalsContact CG-CH2 3.43Å; P501-W516 HydrophobicContact CG-CZ2 3.67Å; P501-W516 HydrophobicContact CG-CZ3 3.6Å; S512-W516 PolarHBondContact O-N 3.26Å; V513-W516 WeakPolarHBondContact O-CB 3.45Å; V513-W516 PolarHBondContact O-N 3.21Å; V513-W516 VanDerWaalsContact O-N 3.1Å; D514-W516 VanDerWaalsContact C-N 3.32Å; D514-W516 PolarHBondContact O-N 3.07Å; W516-Y518 PolarHBondContact O-N 3.03Å; W516-G519 CarbonylContact O-C 3.41Å; W516-G519 VanDerWaalsContact O-CA 3.32Å; W516-G519 WeakPolarHBondContact O-CA 3.31Å; W516-G519 PolarHBondContact O-N 3.49Å; W516-V520 PolarHBondContact O-N 2.81Å; W516-F532 AromaticContact CH2-CE2 3.93Å; W516-F532 HydrophobicContact CH2-CE2 3.93Å; W516-F532 AromaticContact CH2-CZ 3.98Å; W516-F532 HydrophobicContact CH2-CZ 3.98Å; W516-F532 HydrophobicContact CZ2-CD2 4.42Å; W516-F532 AromaticContact CZ2-CE2 3.5Å; W516-F532 HydrophobicContact CZ2-CE2 3.5Å; W516-F532 HydrophobicContact CZ2-CZ 4.01Å; W516-I544 HydrophobicContact CZ2-CG2 3.95Å; W516-L567 HydrophobicContact CD2-CD2 4.15Å; W516-L567 HydrophobicContact CE3-CD2 4.26Å; W516-L567 HydrophobicContact CZ2-CD2 4.38Å; W516-L567 HydrophobicContact CZ3-CB 4.36Å; W516-L567 HydrophobicContact CZ3-CD2 4.44Å; W516-R569 HydrophobicContact CH2-CG 4.22Å; W516-R569 HydrophobicContact CZ3-CG 4.11Å
517	S	98.6	Very high	97.9	Very high	5 Å²	5	17 Å²	17	4%	0.035	9%	0.091	C	C	.	.	H	α-helix	trans	-59.8	-35.6	178.8	-51.4	0	0	0	0	111.2	Y498 V513 D514 G519 V520 L521	Y498-S517 PolarHBondContact O-OG 3.37Å; V513-S517 PolarHBondContact O-N 3.49Å; V513-S517 PolarHBondContact O-OG 3.01Å; D514-S517 PolarHBondContact O-N 2.88Å; S517-G519 VanDerWaalsContact C-N 3.34Å; S517-G519 PolarHBondContact O-N 3.43Å; S517-V520 PolarHBondContact O-N 2.64Å; S517-L521 VanDerWaalsContact O-CB 3.27Å; S517-L521 WeakPolarHBondContact O-CB 3.48Å; S517-L521 PolarHBondContact O-N 2.76Å
518	Y	98.8	Very high	97.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63	-37.6	171.5	-177.5	-93.9	0	0	0	112.5	A438 V441 A442 L445 L458 D514 W515 W516 L522 L566 F591	A438-Y518 HydrophobicContact CB-CE2 4.45Å; A438-Y518 WeakPolarHBondContact CB-OH 3.09Å; A438-Y518 WeakPolarHBondContact O-CE2 3.46Å; A438-Y518 PolarHBondContact O-OH 3.34Å; V441-Y518 HydrophobicContact CB-CE2 4.12Å; V441-Y518 HydrophobicContact CG1-CD2 3.86Å; V441-Y518 HydrophobicContact CG1-CE2 3.92Å; A442-Y518 HydrophobicContact CB-CE2 4.06Å; L445-Y518 HydrophobicContact CD1-CD2 3.92Å; L445-Y518 HydrophobicContact CD1-CG 4.44Å; L458-Y518 HydrophobicContact CD2-CD2 4.07Å; L458-Y518 HydrophobicContact CD2-CG 4.43Å; D514-Y518 WeakPolarHBondContact O-CB 3.37Å; D514-Y518 PolarHBondContact O-N 2.79Å; W515-Y518 AromaticContact CE3-CD1 3.92Å; W515-Y518 HydrophobicContact CE3-CD1 3.92Å; W515-Y518 AromaticContact CE3-CG 3.96Å; W515-Y518 HydrophobicContact CE3-CG 3.96Å; W515-Y518 HydrophobicContact CZ3-CD1 4.1Å; W515-Y518 HydrophobicContact CZ3-CD2 4.27Å; W515-Y518 HydrophobicContact CZ3-CE1 4.34Å; W515-Y518 HydrophobicContact CZ3-CE2 4.49Å; W515-Y518 HydrophobicContact CZ3-CG 4.06Å; W516-Y518 PolarHBondContact O-N 3.03Å; Y518-L522 VanDerWaalsContact O-CB 3.26Å; Y518-L522 WeakPolarHBondContact O-CB 3.33Å; Y518-L522 PolarHBondContact O-N 2.96Å; Y518-L566 HydrophobicContact CD1-CD1 3.64Å; Y518-L566 HydrophobicContact CD1-CD2 4.01Å; Y518-L566 HydrophobicContact CD1-CG 4.47Å; Y518-L566 HydrophobicContact CE1-CD1 3.88Å; Y518-F591 VanDerWaalsContact OH-CZ 3.24Å; Y518-F591 WeakPolarHBondContact OH-CZ 3.47Å
519	G	98.7	Very high	97.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.7	-40.3	172.1	0	0	0	0	0	113.5	W515 W516 S517 Y523	W515-G519 PolarHBondContact O-N 3Å; W515-G519 VanDerWaalsContact O-N 3.1Å; W516-G519 CarbonylContact O-C 3.41Å; W516-G519 VanDerWaalsContact O-CA 3.32Å; W516-G519 WeakPolarHBondContact O-CA 3.31Å; W516-G519 PolarHBondContact O-N 3.49Å; S517-G519 VanDerWaalsContact C-N 3.34Å; S517-G519 PolarHBondContact O-N 3.43Å; G519-Y523 WeakPolarHBondContact O-CB 3.36Å; G519-Y523 PolarHBondContact O-N 2.73Å
520	V	98.7	Very high	97.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-50.9	175	172.9	0	0	0	0	109.4	D497 Y498 W516 S517 L522 Y523 E524 P531 L567	D497-V520 WeakPolarHBondContact O-CG1 3.28Å; Y498-V520 HydrophobicContact CD1-CB 3.84Å; Y498-V520 HydrophobicContact CD1-CG1 3.46Å; Y498-V520 VanDerWaalsContact CD1-CG1 3.46Å; Y498-V520 HydrophobicContact CE1-CB 4.35Å; Y498-V520 HydrophobicContact CE1-CG1 3.73Å; Y498-V520 HydrophobicContact CG-CG1 4.02Å; W516-V520 PolarHBondContact O-N 2.81Å; S517-V520 PolarHBondContact O-N 2.64Å; V520-L522 PolarHBondContact O-N 2.96Å; V520-Y523 WeakPolarHBondContact O-CB 3.13Å; V520-Y523 PolarHBondContact O-N 3.47Å; V520-E524 WeakPolarHBondContact O-CB 3.21Å; V520-E524 PolarHBondContact O-N 2.64Å; V520-P531 HydrophobicContact CB-CG 4.41Å; V520-P531 HydrophobicContact CG1-CG 4.17Å; V520-P531 HydrophobicContact CG2-CG 4.14Å; V520-L567 HydrophobicContact CG2-CD2 3.74Å
521	L	98.4	Very high	97.8	Very high	1 Å²	1	15 Å²	15	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-55.7	-49.4	177.7	-170.8	148.2	0	0	0	111.5	L458 L460 L463 Y498 S517 Y523 E524 M525	L458-L521 HydrophobicContact CD1-CD1 4.3Å; L458-L521 HydrophobicContact CD2-CD1 4.23Å; L458-L521 HydrophobicContact CG-CD1 3.81Å; L460-L521 HydrophobicContact CD2-CD1 4.26Å; L460-L521 HydrophobicContact CD2-CD2 4.15Å; L460-L521 HydrophobicContact CD2-CG 3.83Å; L460-L521 HydrophobicContact CG-CG 4.34Å; L463-L521 HydrophobicContact CD1-CD1 3.45Å; L463-L521 VanDerWaalsContact CD1-CD1 3.45Å; L463-L521 HydrophobicContact CD1-CD2 4.14Å; L463-L521 HydrophobicContact CD1-CG 4.35Å; L463-L521 HydrophobicContact CG-CD1 4.3Å; Y498-L521 HydrophobicContact CE1-CB 4.07Å; S517-L521 VanDerWaalsContact O-CB 3.27Å; S517-L521 WeakPolarHBondContact O-CB 3.48Å; S517-L521 PolarHBondContact O-N 2.76Å; L521-Y523 PolarHBondContact O-N 3.23Å; L521-E524 PolarHBondContact O-N 2.89Å; L521-M525 HydrophobicContact CD2-CE 3.73Å; L521-M525 HydrophobicContact CD2-CG 4.12Å; L521-M525 HydrophobicContact CD2-SD 3.98Å; L521-M525 VanDerWaalsContact O-CG 3.28Å; L521-M525 WeakPolarHBondContact O-CG 3.18Å; L521-M525 PolarHBondContact O-N 3.01Å
522	L	98.6	Very high	97.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.2	-41.4	178.7	179.2	57	0	0	0	112.5	A434 A438 Y518 V520 E524 M525 L526 I562 L566 F590	A434-L522 HydrophobicContact CB-CD1 4.36Å; A438-L522 HydrophobicContact CB-CD1 4.07Å; Y518-L522 VanDerWaalsContact O-CB 3.26Å; Y518-L522 WeakPolarHBondContact O-CB 3.33Å; Y518-L522 PolarHBondContact O-N 2.96Å; V520-L522 PolarHBondContact O-N 2.96Å; L522-E524 VanDerWaalsContact C-N 3.33Å; L522-M525 HydrophobicContact CD1-CE 3.86Å; L522-M525 PolarHBondContact O-N 2.8Å; L522-L526 HydrophobicContact CD1-CD1 3.83Å; L522-L526 HydrophobicContact CD1-CG 4.17Å; L522-L526 HydrophobicContact CG-CD1 3.94Å; L522-L526 WeakPolarHBondContact O-CB 3.45Å; L522-L526 WeakPolarHBondContact O-CD1 3.13Å; L522-L526 VanDerWaalsContact O-CG 3.27Å; L522-L526 WeakPolarHBondContact O-CG 3.26Å; L522-L526 PolarHBondContact O-N 3.23Å; L522-L526 VanDerWaalsContact O-N 3.17Å; L522-I562 HydrophobicContact CD2-CB 4.48Å; L522-I562 HydrophobicContact CD2-CD1 4.05Å; L522-I562 HydrophobicContact CD2-CG1 4.17Å; L522-I562 HydrophobicContact CD2-CG2 3.57Å; L522-L566 HydrophobicContact CD2-CD1 4.09Å; L522-F590 HydrophobicContact CD1-CE1 3.76Å; L522-F590 HydrophobicContact CD1-CZ 3.61Å; L522-F590 HydrophobicContact CD2-CD1 4.33Å; L522-F590 HydrophobicContact CD2-CE1 3.93Å; L522-F590 HydrophobicContact CD2-CZ 4.26Å; L522-F590 HydrophobicContact CG-CE1 4.48Å; L522-F590 HydrophobicContact CG-CZ 4.46Å
523	Y	98.7	Very high	97.8	Very high	9 Å²	9	16.2 Å²	16.2	4%	0.035	9%	0.09	C	C	.	.	H	α-helix	trans	-60	-46.7	175.1	178.1	-81	0	0	0	110.7	G519 V520 L521 L526 A527 Q529 P531 I549 S550 Y551	G519-Y523 WeakPolarHBondContact O-CB 3.36Å; G519-Y523 PolarHBondContact O-N 2.73Å; V520-Y523 WeakPolarHBondContact O-CB 3.13Å; V520-Y523 PolarHBondContact O-N 3.47Å; L521-Y523 PolarHBondContact O-N 3.23Å; Y523-L526 PolarHBondContact O-N 3.26Å; Y523-L526 VanDerWaalsContact O-N 3.13Å; Y523-A527 HydrophobicContact CD1-CB 3.98Å; Y523-A527 HydrophobicContact CE1-CB 3.57Å; Y523-A527 HydrophobicContact CE2-CB 4.5Å; Y523-A527 VanDerWaalsContact O-CB 3.22Å; Y523-A527 WeakPolarHBondContact O-CB 3.25Å; Y523-A527 PolarHBondContact O-N 2.64Å; Y523-Q529 VanDerWaalsContact CD1-O 3.32Å; Y523-Q529 WeakPolarHBondContact CD1-O 3.19Å; Y523-Q529 VanDerWaalsContact CE1-O 3.24Å; Y523-Q529 WeakPolarHBondContact CE1-O 3.17Å; Y523-P531 HydrophobicContact CD1-CB 3.64Å; Y523-P531 HydrophobicContact CD1-CG 4.05Å; Y523-P531 HydrophobicContact CD2-CB 4.16Å; Y523-P531 VanDerWaalsContact CE1-CA 3.43Å; Y523-P531 HydrophobicContact CE1-CB 3.81Å; Y523-P531 HydrophobicContact CE2-CB 4.3Å; Y523-P531 HydrophobicContact CG-CB 3.83Å; Y523-P531 HydrophobicContact CG-CG 4.25Å; Y523-I549 HydrophobicContact CD2-CG2 4.3Å; Y523-I549 HydrophobicContact CE2-CG2 3.82Å; Y523-S550 WeakPolarHBondContact CE2-O 3.2Å; Y523-S550 PolarHBondContact OH-O 3.17Å; Y523-Y551 HydrophobicContact CD2-CD1 4.2Å; Y523-Y551 HydrophobicContact CD2-CE1 4.03Å; Y523-Y551 AromaticContact CE2-CD1 3.91Å; Y523-Y551 HydrophobicContact CE2-CD1 3.91Å; Y523-Y551 HydrophobicContact CE2-CE1 4.07Å
524	E	98	Very high	97.7	Very high	18 Å²	18	17.9 Å²	17.9	8%	0.084	11%	0.107	C	C	.	.	H	α-helix	trans	-63.7	-42.3	-179.4	-172.6	174.4	-171.5	0	0	112.2	L460 Y498 V520 L521 L522 L526 A527 G528 Q529	L460-E524 HydrophobicContact CD1-CB 4.48Å; L460-E524 VanDerWaalsContact CD1-CD 3.44Å; L460-E524 HydrophobicContact CD1-CG 3.85Å; Y498-E524 VanDerWaalsContact CZ-OE2 3.24Å; Y498-E524 PolarHBondContact OH-OE2 2.91Å; V520-E524 WeakPolarHBondContact O-CB 3.21Å; V520-E524 PolarHBondContact O-N 2.64Å; L521-E524 PolarHBondContact O-N 2.89Å; L522-E524 VanDerWaalsContact C-N 3.33Å; E524-L526 VanDerWaalsContact C-N 3.25Å; E524-L526 PolarHBondContact O-N 3.31Å; E524-A527 PolarHBondContact O-N 2.77Å; E524-G528 VanDerWaalsContact O-CA 3.26Å; E524-G528 WeakPolarHBondContact O-CA 3.44Å; E524-G528 PolarHBondContact O-N 2.85Å; E524-Q529 WeakPolarHBondContact CA-O 3.46Å
525	M	98.3	Very high	97.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56	-41.1	172.2	-66.1	-156.7	-69.8	0	0	112.3	L419 I423 F429 A434 A438 L460 L521 L522	L419-M525 HydrophobicContact CD1-SD 4.28Å; I423-M525 HydrophobicContact CD1-CB 4.22Å; I423-M525 HydrophobicContact CD1-CG 3.78Å; F429-M525 WeakPolarHBondContact CB-O 3.21Å; F429-M525 HydrophobicContact CD2-CB 3.91Å; F429-M525 HydrophobicContact CD2-CG 4.03Å; F429-M525 HydrophobicContact CD2-SD 3.89Å; F429-M525 HydrophobicContact CE2-CG 4.3Å; F429-M525 HydrophobicContact CE2-SD 4.03Å; F429-M525 PolarHBondContact N-O 2.81Å; A434-M525 HydrophobicContact CB-CB 4.06Å; A434-M525 HydrophobicContact CB-CE 4.2Å; A434-M525 WeakPolarHBondContact O-CE 3.09Å; A438-M525 HydrophobicContact CB-CE 3.86Å; L460-M525 HydrophobicContact CD2-CG 3.97Å; L521-M525 HydrophobicContact CD2-CE 3.73Å; L521-M525 HydrophobicContact CD2-CG 4.12Å; L521-M525 HydrophobicContact CD2-SD 3.98Å; L521-M525 VanDerWaalsContact O-CG 3.28Å; L521-M525 WeakPolarHBondContact O-CG 3.18Å; L521-M525 PolarHBondContact O-N 3.01Å; L522-M525 HydrophobicContact CD1-CE 3.86Å; L522-M525 PolarHBondContact O-N 2.8Å
526	L	98.2	Very high	97.5	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-83.9	-31.3	-174.7	-71.2	169.6	0	0	0	113.7	E431 A434 L522 Y523 E524 L555 F590	E431-L526 HydrophobicContact CB-CD2 4.27Å; A434-L526 HydrophobicContact CB-CD2 3.61Å; A434-L526 HydrophobicContact CB-CG 4.01Å; L522-L526 HydrophobicContact CD1-CD1 3.83Å; L522-L526 HydrophobicContact CD1-CG 4.17Å; L522-L526 HydrophobicContact CG-CD1 3.94Å; L522-L526 WeakPolarHBondContact O-CB 3.45Å; L522-L526 WeakPolarHBondContact O-CD1 3.13Å; L522-L526 VanDerWaalsContact O-CG 3.27Å; L522-L526 WeakPolarHBondContact O-CG 3.26Å; L522-L526 PolarHBondContact O-N 3.23Å; L522-L526 VanDerWaalsContact O-N 3.17Å; Y523-L526 PolarHBondContact O-N 3.26Å; Y523-L526 VanDerWaalsContact O-N 3.13Å; E524-L526 VanDerWaalsContact C-N 3.25Å; E524-L526 PolarHBondContact O-N 3.31Å; L526-L555 HydrophobicContact CB-CD2 3.76Å; L526-L555 WeakPolarHBondContact O-CD2 3.15Å; L526-F590 HydrophobicContact CD1-CE2 4.17Å; L526-F590 HydrophobicContact CD1-CZ 4.31Å; L526-F590 HydrophobicContact CD2-CE2 4.46Å
527	A	97.5	Very high	97.3	Very high	19 Å²	19	36.5 Å²	36.5	16%	0.157	20%	0.197	C	C	.	.	H	α-helix	trans	-102.6	-24.4	-174.2	0	0	0	0	0	113.2	Y523 E524 P552	Y523-A527 HydrophobicContact CD1-CB 3.98Å; Y523-A527 HydrophobicContact CE1-CB 3.57Å; Y523-A527 HydrophobicContact CE2-CB 4.5Å; Y523-A527 VanDerWaalsContact O-CB 3.22Å; Y523-A527 WeakPolarHBondContact O-CB 3.25Å; Y523-A527 PolarHBondContact O-N 2.64Å; E524-A527 PolarHBondContact O-N 2.77Å; A527-P552 HydrophobicContact CB-CG 4.29Å
528	G	96.3	Very high	97.3	Very high	27 Å²	27	44 Å²	44	28%	0.278	23%	0.231	S	C	.	.	S	Bend	trans	87.5	2	-176.6	0	0	0	0	0	115.3	G427 E524	G427-G528 WeakPolarHBondContact O-CA 3.26Å; E524-G528 VanDerWaalsContact O-CA 3.26Å; E524-G528 WeakPolarHBondContact O-CA 3.44Å; E524-G528 PolarHBondContact O-N 2.85Å
529	Q	95.7	Very high	97.2	Very high	100 Å²	100	46.8 Å²	46.8	47%	0.467	25%	0.247	S	C	.	.	S	Bend	trans	-155.7	155.5	-177.4	68	-169.5	22.3	0	0	109.5	Y523 E524	Y523-Q529 VanDerWaalsContact CD1-O 3.32Å; Y523-Q529 WeakPolarHBondContact CD1-O 3.19Å; Y523-Q529 VanDerWaalsContact CE1-O 3.24Å; Y523-Q529 WeakPolarHBondContact CE1-O 3.17Å; E524-Q529 WeakPolarHBondContact CA-O 3.46Å
530	P	96.7	Very high	97.2	Very high	25 Å²	25	47.4 Å²	47.4	16%	0.162	25%	0.25	C	C	.	.			trans	-63.5	158.2	179.2	26.4	-34.9	0	0	0	112.4	F532 E533	P530-F532 VanDerWaalsContact C-N 3.28Å; P530-F532 PolarHBondContact O-N 2.72Å; P530-E533 HydrophobicContact CG-CG 4.28Å
531	P	97.3	Very high	97.1	Very high	11 Å²	11	49 Å²	49	7%	0.071	26%	0.257	C	S	.	.	S	Bend	trans	-74.8	-16.4	179.5	27.8	-30.8	0	0	0	114	V520 Y523 I549 L567	V520-P531 HydrophobicContact CB-CG 4.41Å; V520-P531 HydrophobicContact CG1-CG 4.17Å; V520-P531 HydrophobicContact CG2-CG 4.14Å; Y523-P531 HydrophobicContact CD1-CB 3.64Å; Y523-P531 HydrophobicContact CD1-CG 4.05Å; Y523-P531 HydrophobicContact CD2-CB 4.16Å; Y523-P531 VanDerWaalsContact CE1-CA 3.43Å; Y523-P531 HydrophobicContact CE1-CB 3.81Å; Y523-P531 HydrophobicContact CE2-CB 4.3Å; Y523-P531 HydrophobicContact CG-CB 3.83Å; Y523-P531 HydrophobicContact CG-CG 4.25Å; P531-I549 HydrophobicContact CB-CD1 4.45Å; P531-I549 HydrophobicContact CB-CG1 4.48Å; P531-I549 HydrophobicContact CB-CG2 3.95Å; P531-L567 HydrophobicContact CB-CD1 4.31Å; P531-L567 HydrophobicContact CG-CD1 4.25Å
532	F	97.6	Very high	97.1	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.018	27%	0.272	C	S	.	.			trans	-130.8	139.3	178.8	-53.1	-75.8	0	0	0	108.6	W516 P530 L540 N543 I544 I549	W516-F532 AromaticContact CH2-CE2 3.93Å; W516-F532 HydrophobicContact CH2-CE2 3.93Å; W516-F532 AromaticContact CH2-CZ 3.98Å; W516-F532 HydrophobicContact CH2-CZ 3.98Å; W516-F532 HydrophobicContact CZ2-CD2 4.42Å; W516-F532 AromaticContact CZ2-CE2 3.5Å; W516-F532 HydrophobicContact CZ2-CE2 3.5Å; W516-F532 HydrophobicContact CZ2-CZ 4.01Å; P530-F532 VanDerWaalsContact C-N 3.28Å; P530-F532 PolarHBondContact O-N 2.72Å; F532-L540 HydrophobicContact CB-CD1 3.96Å; F532-N543 WeakPolarHBondContact CD1-O 3.33Å; F532-N543 WeakPolarHBondContact CE1-O 3.48Å; F532-I544 HydrophobicContact CB-CG1 3.9Å; F532-I544 HydrophobicContact CD1-CG1 4.48Å; F532-I544 HydrophobicContact CD2-CG1 3.8Å; F532-I544 HydrophobicContact CE2-CG1 4.48Å; F532-I544 HydrophobicContact CG-CG1 3.81Å; F532-I549 HydrophobicContact CE1-CD1 4.32Å; F532-I549 HydrophobicContact CE1-CG1 3.7Å; F532-I549 HydrophobicContact CE2-CD1 4.2Å; F532-I549 HydrophobicContact CE2-CG1 4.37Å; F532-I549 HydrophobicContact CZ-CD1 3.63Å; F532-I549 HydrophobicContact CZ-CG1 3.52Å
533	E	94.5	Very high	97.1	Very high	113 Å²	113	52.6 Å²	52.6	53%	0.528	28%	0.282	S	S	.	.			trans	-136.6	157.2	175.5	-67.4	174.4	-172.6	0	0	106.7	P530 N543	P530-E533 HydrophobicContact CG-CG 4.28Å; E533-N543 PolarHBondContact O-ND2 2.86Å
534	G	95.4	Very high	97.1	Very high	36 Å²	36	52.2 Å²	52.2	37%	0.371	28%	0.28	S	S	.	.			trans	-152.5	157.9	173.5	0	0	0	0	0	111.2	D536 D539	G534-D536 VanDerWaalsContact C-N 3.26Å; G534-D539 WeakPolarHBondContact CA-OD2 3.25Å
535	E	95.7	Very high	97	Very high	190 Å²	190	53.7 Å²	53.7	89%	0.888	29%	0.289	S	S	*	.	S	Bend	trans	-67.5	-30.9	176.1	-65.8	-174	177.1	0	0	112	D539	E535-D539 PolarHBondContact N-OD2 2.92Å
536	D	97.2	Very high	96.9	Very high	93 Å²	93	61.1 Å²	61.1	50%	0.497	32%	0.323	S	S	.	.	S	Bend	trans	-143.6	-179.3	173.2	60.1	40.1	0	0	0	110.7	G534 E538 D539 L540	G534-D536 VanDerWaalsContact C-N 3.26Å; D536-E538 VanDerWaalsContact C-N 3.32Å; D536-E538 PolarHBondContact O-N 2.7Å; D536-E538 WeakPolarHBondContact OD1-CB 3.1Å; D536-E538 PolarHBondContact OD1-N 3.1Å; D536-D539 PolarHBondContact O-N 2.81Å; D536-D539 PolarHBondContact OD1-N 3.13Å; D536-L540 WeakPolarHBondContact O-CB 3.41Å; D536-L540 PolarHBondContact O-N 2.8Å
537	E	95.4	Very high	96.8	Very high	111 Å²	111	65.3 Å²	65.3	52%	0.519	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-35.4	-178.8	-173.4	177.3	112.2	0	0	112.5	L540 F541	E537-L540 PolarHBondContact O-N 2.84Å; E537-F541 VanDerWaalsContact CD-CZ 3.47Å; E537-F541 HydrophobicContact CG-CD1 4.3Å; E537-F541 HydrophobicContact CG-CD2 3.99Å; E537-F541 HydrophobicContact CG-CE1 3.74Å; E537-F541 HydrophobicContact CG-CE2 3.39Å; E537-F541 HydrophobicContact CG-CG 4.43Å; E537-F541 HydrophobicContact CG-CZ 3.24Å; E537-F541 WeakPolarHBondContact O-CB 3.08Å; E537-F541 WeakPolarHBondContact O-CD1 3.29Å; E537-F541 WeakPolarHBondContact O-CD2 3.3Å; E537-F541 WeakPolarHBondContact O-CG 3.24Å; E537-F541 PolarHBondContact O-N 3Å; E537-F541 VanDerWaalsContact OE1-CE2 3.25Å; E537-F541 WeakPolarHBondContact OE1-CE2 3.25Å; E537-F541 WeakPolarHBondContact OE1-CZ 3.24Å
538	E	96.8	Very high	96.7	Very high	161 Å²	161	69.8 Å²	69.8	75%	0.752	37%	0.368	S	S	*	.	H	α-helix	trans	-68.7	-42.9	179.8	-65	-175.7	-177.3	0	0	111	D536 F541 A542	D536-E538 VanDerWaalsContact C-N 3.32Å; D536-E538 PolarHBondContact O-N 2.7Å; D536-E538 WeakPolarHBondContact OD1-CB 3.1Å; D536-E538 PolarHBondContact OD1-N 3.1Å; E538-F541 PolarHBondContact O-N 2.77Å; E538-A542 WeakPolarHBondContact O-CB 3.14Å; E538-A542 PolarHBondContact O-N 2.85Å
539	D	97.8	Very high	96.7	Very high	60 Å²	60	69.2 Å²	69.2	32%	0.321	36%	0.358	S	S	.	.	H	α-helix	trans	-65.5	-43.1	174.6	-174.9	42.6	0	0	0	111.6	G534 E535 D536 F541 A542 N543	G534-D539 WeakPolarHBondContact CA-OD2 3.25Å; E535-D539 PolarHBondContact N-OD2 2.92Å; D536-D539 PolarHBondContact O-N 2.81Å; D536-D539 PolarHBondContact OD1-N 3.13Å; D539-F541 VanDerWaalsContact C-N 3.34Å; D539-F541 PolarHBondContact O-N 3.45Å; D539-A542 PolarHBondContact O-N 3.16Å; D539-N543 WeakPolarHBondContact O-CB 3.23Å; D539-N543 VanDerWaalsContact O-CG 3.3Å; D539-N543 PolarHBondContact O-N 3.12Å; D539-N543 PolarHBondContact O-ND2 3.27Å; D539-N543 PolarHBondContact OD1-ND2 2.89Å
540	L	98	Very high	96.7	Very high	12 Å²	12	68.6 Å²	68.6	6%	0.063	37%	0.365	C	S	.	.	H	α-helix	trans	-57.4	-47.9	174.4	175.7	61.7	0	0	0	111	P496 F532 D536 E537 A542 N543 I544	P496-L540 HydrophobicContact CB-CD2 3.89Å; F532-L540 HydrophobicContact CB-CD1 3.96Å; D536-L540 WeakPolarHBondContact O-CB 3.41Å; D536-L540 PolarHBondContact O-N 2.8Å; E537-L540 PolarHBondContact O-N 2.84Å; L540-A542 PolarHBondContact O-N 2.82Å; L540-N543 PolarHBondContact O-N 3.25Å; L540-I544 HydrophobicContact CD1-CD1 4.27Å; L540-I544 HydrophobicContact CD1-CG1 4.43Å; L540-I544 HydrophobicContact CG-CD1 4.12Å; L540-I544 WeakPolarHBondContact O-CG1 2.89Å; L540-I544 PolarHBondContact O-N 2.68Å
541	F	98	Very high	96.7	Very high	33 Å²	33	69.6 Å²	69.6	15%	0.145	37%	0.366	C	S	.	.	H	α-helix	trans	-64	-40.2	178.4	-68.1	-8.9	0	0	0	112.1	F492 P496 I499 L504 E537 E538 D539 N543 I544 L545	F492-F541 HydrophobicContact CZ-CE2 4.24Å; F492-F541 HydrophobicContact CZ-CZ 4.35Å; P496-F541 HydrophobicContact CB-CE1 4.01Å; I499-F541 HydrophobicContact CG2-CD1 4.43Å; I499-F541 HydrophobicContact CG2-CE1 4.09Å; L504-F541 HydrophobicContact CD1-CB 3.97Å; L504-F541 HydrophobicContact CD1-CD1 3.99Å; L504-F541 HydrophobicContact CD1-CG 4.06Å; L504-F541 HydrophobicContact CD2-CB 4.33Å; L504-F541 HydrophobicContact CD2-CD1 3.67Å; L504-F541 HydrophobicContact CD2-CD2 3.8Å; L504-F541 HydrophobicContact CD2-CE1 3.82Å; L504-F541 HydrophobicContact CD2-CE2 3.93Å; L504-F541 HydrophobicContact CD2-CG 3.66Å; L504-F541 HydrophobicContact CD2-CZ 3.95Å; E537-F541 VanDerWaalsContact CD-CZ 3.47Å; E537-F541 HydrophobicContact CG-CD1 4.3Å; E537-F541 HydrophobicContact CG-CD2 3.99Å; E537-F541 HydrophobicContact CG-CE1 3.74Å; E537-F541 HydrophobicContact CG-CE2 3.39Å; E537-F541 HydrophobicContact CG-CG 4.43Å; E537-F541 HydrophobicContact CG-CZ 3.24Å; E537-F541 WeakPolarHBondContact O-CB 3.08Å; E537-F541 WeakPolarHBondContact O-CD1 3.29Å; E537-F541 WeakPolarHBondContact O-CD2 3.3Å; E537-F541 WeakPolarHBondContact O-CG 3.24Å; E537-F541 PolarHBondContact O-N 3Å; E537-F541 VanDerWaalsContact OE1-CE2 3.25Å; E537-F541 WeakPolarHBondContact OE1-CE2 3.25Å; E537-F541 WeakPolarHBondContact OE1-CZ 3.24Å; E538-F541 PolarHBondContact O-N 2.77Å; D539-F541 VanDerWaalsContact C-N 3.34Å; D539-F541 PolarHBondContact O-N 3.45Å; F541-N543 VanDerWaalsContact C-N 3.31Å; F541-N543 PolarHBondContact O-N 3.02Å; F541-I544 HydrophobicContact CD1-CD1 4.36Å; F541-I544 PolarHBondContact O-N 2.7Å; F541-L545 VanDerWaalsContact O-CG 3.28Å; F541-L545 WeakPolarHBondContact O-CG 3.42Å; F541-L545 PolarHBondContact O-N 3.14Å
542	A	97.8	Very high	96.6	Very high	40 Å²	40	71.1 Å²	71.1	33%	0.331	38%	0.376	S	S	.	.	H	α-helix	trans	-60	-42.2	173.2	0	0	0	0	0	111.6	E538 D539 L540 L545 Q546	E538-A542 WeakPolarHBondContact O-CB 3.14Å; E538-A542 PolarHBondContact O-N 2.85Å; D539-A542 PolarHBondContact O-N 3.16Å; L540-A542 PolarHBondContact O-N 2.82Å; A542-L545 PolarHBondContact O-N 3.21Å; A542-Q546 WeakPolarHBondContact O-CB 3.28Å; A542-Q546 PolarHBondContact O-N 3.09Å
543	N	98.1	Very high	96.4	Very high	38 Å²	38	81.3 Å²	81.3	20%	0.203	42%	0.42	C	S	.	.	H	α-helix	trans	-67	-41.8	178.2	-72	-31.8	0	0	0	112.2	F532 E533 D539 L540 F541 L545 Q546 H547 R569	F532-N543 WeakPolarHBondContact CD1-O 3.33Å; F532-N543 WeakPolarHBondContact CE1-O 3.48Å; E533-N543 PolarHBondContact O-ND2 2.86Å; D539-N543 WeakPolarHBondContact O-CB 3.23Å; D539-N543 VanDerWaalsContact O-CG 3.3Å; D539-N543 PolarHBondContact O-N 3.12Å; D539-N543 PolarHBondContact O-ND2 3.27Å; D539-N543 PolarHBondContact OD1-ND2 2.89Å; L540-N543 PolarHBondContact O-N 3.25Å; F541-N543 VanDerWaalsContact C-N 3.31Å; F541-N543 PolarHBondContact O-N 3.02Å; N543-L545 PolarHBondContact O-N 3.29Å; N543-Q546 PolarHBondContact O-N 3.37Å; N543-H547 HydrophobicContact CB-CB 3.93Å; N543-H547 WeakPolarHBondContact O-CA 3.24Å; N543-H547 WeakPolarHBondContact O-CB 3.49Å; N543-H547 PolarHBondContact O-N 2.97Å; N543-R569 PolarHBondContact O-NH2 3.14Å
544	I	98	Very high	96.4	Very high	0 Å²	0	79.8 Å²	79.8	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-56.8	-41.2	172.1	-71.1	170.1	0	0	0	110.8	P496 I499 P501 L504 W516 F532 L540 F541 R569	P496-I544 WeakPolarHBondContact O-CD1 3.31Å; I499-I544 HydrophobicContact CG2-CD1 3.89Å; P501-I544 HydrophobicContact CG-CG2 3.98Å; L504-I544 HydrophobicContact CD1-CB 3.96Å; L504-I544 HydrophobicContact CD1-CD1 4.25Å; L504-I544 HydrophobicContact CD1-CG2 3.65Å; W516-I544 HydrophobicContact CZ2-CG2 3.95Å; F532-I544 HydrophobicContact CB-CG1 3.9Å; F532-I544 HydrophobicContact CD1-CG1 4.48Å; F532-I544 HydrophobicContact CD2-CG1 3.8Å; F532-I544 HydrophobicContact CE2-CG1 4.48Å; F532-I544 HydrophobicContact CG-CG1 3.81Å; L540-I544 HydrophobicContact CD1-CD1 4.27Å; L540-I544 HydrophobicContact CD1-CG1 4.43Å; L540-I544 HydrophobicContact CG-CD1 4.12Å; L540-I544 WeakPolarHBondContact O-CG1 2.89Å; L540-I544 PolarHBondContact O-N 2.68Å; F541-I544 HydrophobicContact CD1-CD1 4.36Å; F541-I544 PolarHBondContact O-N 2.7Å; I544-R569 VanDerWaalsContact O-CZ 3.24Å; I544-R569 PolarHBondContact O-NE 3.19Å; I544-R569 PolarHBondContact O-NH2 3.15Å
545	L	97.7	Very high	96.4	Very high	50 Å²	50	79.1 Å²	79.1	26%	0.262	41%	0.41	S	S	.	.	H	α-helix	trans	-77.2	-33.6	-177.6	-67.5	176.6	0	0	0	114.1	P501 L504 L505 F541 A542 N543 R569	P501-L545 HydrophobicContact CB-CD2 3.97Å; L504-L545 HydrophobicContact CB-CD2 4.19Å; L504-L545 HydrophobicContact CD1-CD2 4.37Å; L504-L545 HydrophobicContact CD1-CG 4.25Å; L505-L545 HydrophobicContact CD1-CD2 4.06Å; L505-L545 HydrophobicContact CD2-CD1 4.11Å; L505-L545 HydrophobicContact CD2-CD2 3.95Å; L505-L545 HydrophobicContact CG-CD2 3.75Å; F541-L545 VanDerWaalsContact O-CG 3.28Å; F541-L545 WeakPolarHBondContact O-CG 3.42Å; F541-L545 PolarHBondContact O-N 3.14Å; A542-L545 PolarHBondContact O-N 3.21Å; N543-L545 PolarHBondContact O-N 3.29Å; L545-R569 WeakPolarHBondContact O-CD 3.4Å; L545-R569 PolarHBondContact O-NE 3.05Å
546	Q	95.8	Very high	96.3	Very high	156 Å²	156	71.5 Å²	71.5	73%	0.729	38%	0.377	S	S	*	.	H	α-helix	trans	-126.9	-32.3	-165.5	-56.3	-175.6	17.6	0	0	114.7	A542 N543	A542-Q546 WeakPolarHBondContact O-CB 3.28Å; A542-Q546 PolarHBondContact O-N 3.09Å; N543-Q546 PolarHBondContact O-N 3.37Å
547	H	95.3	Very high	96	Very high	92 Å²	92	75.4 Å²	75.4	43%	0.426	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-68.7	142	-171.3	-173.6	-100.4	0	0	0	112.3	N543 R569	N543-H547 HydrophobicContact CB-CB 3.93Å; N543-H547 WeakPolarHBondContact O-CA 3.24Å; N543-H547 WeakPolarHBondContact O-CB 3.49Å; N543-H547 PolarHBondContact O-N 2.97Å; H547-R569 PolarHBondContact O-NH1 2.65Å; H547-R569 PolarHBondContact O-NH2 2.92Å
548	T	95.2	Very high	95.9	Very high	113 Å²	113	72.6 Å²	72.6	69%	0.693	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-86.4	123.3	176.3	-62.9	0	0	0	0	109.7	S550	T548-S550 PolarHBondContact O-N 3.32Å
549	I	96.4	Very high	95.9	Very high	16 Å²	16	65 Å²	65	8%	0.082	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-61.3	126.6	-179.4	-54.5	171.7	0	0	0	110.1	Y523 P531 F532 Y551 L567	Y523-I549 HydrophobicContact CD2-CG2 4.3Å; Y523-I549 HydrophobicContact CE2-CG2 3.82Å; P531-I549 HydrophobicContact CB-CD1 4.45Å; P531-I549 HydrophobicContact CB-CG1 4.48Å; P531-I549 HydrophobicContact CB-CG2 3.95Å; F532-I549 HydrophobicContact CE1-CD1 4.32Å; F532-I549 HydrophobicContact CE1-CG1 3.7Å; F532-I549 HydrophobicContact CE2-CD1 4.2Å; F532-I549 HydrophobicContact CE2-CG1 4.37Å; F532-I549 HydrophobicContact CZ-CD1 3.63Å; F532-I549 HydrophobicContact CZ-CG1 3.52Å; I549-Y551 HydrophobicContact CB-CE2 3.97Å; I549-Y551 HydrophobicContact CG2-CD1 4.46Å; I549-Y551 HydrophobicContact CG2-CD2 4.46Å; I549-Y551 HydrophobicContact CG2-CE1 3.91Å; I549-Y551 HydrophobicContact CG2-CE2 3.93Å; I549-Y551 WeakPolarHBondContact O-CD2 3.36Å; I549-Y551 WeakPolarHBondContact O-CE2 3.12Å; I549-L567 HydrophobicContact CD1-CB 3.54Å; I549-L567 HydrophobicContact CD1-CD1 3.57Å; I549-L567 HydrophobicContact CD1-CG 4.11Å
550	S	96.3	Very high	95.9	Very high	86 Å²	86	63.3 Å²	63.3	60%	0.601	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-83.7	137.7	170.3	-173.3	0	0	0	0	109.3	Y523 T548	Y523-S550 WeakPolarHBondContact CE2-O 3.2Å; Y523-S550 PolarHBondContact OH-O 3.17Å; T548-S550 PolarHBondContact O-N 3.32Å
551	Y	96.7	Very high	95.8	Very high	46 Å²	46	65.2 Å²	65.2	18%	0.18	35%	0.347	C	S	.	.			trans	-116.3	120.5	177.6	-64.4	-84	0	0	0	109.5	Y523 I549 L555 V560 C563 K564	Y523-Y551 HydrophobicContact CD2-CD1 4.2Å; Y523-Y551 HydrophobicContact CD2-CE1 4.03Å; Y523-Y551 AromaticContact CE2-CD1 3.91Å; Y523-Y551 HydrophobicContact CE2-CD1 3.91Å; Y523-Y551 HydrophobicContact CE2-CE1 4.07Å; I549-Y551 HydrophobicContact CB-CE2 3.97Å; I549-Y551 HydrophobicContact CG2-CD1 4.46Å; I549-Y551 HydrophobicContact CG2-CD2 4.46Å; I549-Y551 HydrophobicContact CG2-CE1 3.91Å; I549-Y551 HydrophobicContact CG2-CE2 3.93Å; I549-Y551 WeakPolarHBondContact O-CD2 3.36Å; I549-Y551 WeakPolarHBondContact O-CE2 3.12Å; Y551-L555 HydrophobicContact CD1-CD1 4.39Å; Y551-V560 HydrophobicContact CD1-CG1 4.11Å; Y551-V560 HydrophobicContact CD1-CG2 4.25Å; Y551-V560 HydrophobicContact CD2-CG1 4.21Å; Y551-V560 HydrophobicContact CG-CG1 3.92Å; Y551-V560 HydrophobicContact CG-CG2 4.26Å; Y551-C563 HydrophobicContact CE1-CB 3.7Å; Y551-K564 HydrophobicContact CE1-CG 4.36Å; Y551-K564 HydrophobicContact CE2-CD 4.23Å; Y551-K564 HydrophobicContact CE2-CG 3.75Å; Y551-K564 VanDerWaalsContact OH-CG 3.27Å; Y551-K564 WeakPolarHBondContact OH-CG 3.41Å
552	P	95.7	Very high	95.8	Very high	43 Å²	43	63.6 Å²	63.6	28%	0.279	34%	0.34	S	S	.	.			trans	-56.3	139.4	177.1	-26.6	33.9	0	0	0	112.3	A527 S554 L555	A527-P552 HydrophobicContact CB-CG 4.29Å; P552-S554 PolarHBondContact O-N 2.87Å; P552-S554 VanDerWaalsContact O-N 3.09Å; P552-L555 HydrophobicContact CB-CG 4.32Å; P552-L555 WeakPolarHBondContact O-CB 3.25Å; P552-L555 PolarHBondContact O-N 2.66Å
553	K	93.6	Very high	95.8	Very high	218 Å²	218	61.7 Å²	61.7	95%	0.948	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.1	179.2	-67.6	-179	-178.2	173.6	0	113.7	L555	K553-L555 VanDerWaalsContact C-N 3.28Å
554	S	92.8	Very high	95.7	Very high	82 Å²	82	65.2 Å²	65.2	57%	0.573	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-19.2	175.9	57	0	0	0	0	113.3	P552	P552-S554 PolarHBondContact O-N 2.87Å; P552-S554 VanDerWaalsContact O-N 3.09Å
555	L	95.7	Very high	95.7	Very high	22 Å²	22	66.5 Å²	66.5	12%	0.115	35%	0.349	C	S	.	.	S	Bend	trans	-71.6	141.4	178.8	-62.1	-173.6	0	0	0	110.9	L526 Y551 P552 K553 V560	L526-L555 HydrophobicContact CB-CD2 3.76Å; L526-L555 WeakPolarHBondContact O-CD2 3.15Å; Y551-L555 HydrophobicContact CD1-CD1 4.39Å; P552-L555 HydrophobicContact CB-CG 4.32Å; P552-L555 WeakPolarHBondContact O-CB 3.25Å; P552-L555 PolarHBondContact O-N 2.66Å; K553-L555 VanDerWaalsContact C-N 3.28Å; L555-V560 HydrophobicContact CB-CG2 3.74Å; L555-V560 HydrophobicContact CD1-CG2 4.26Å
556	S	94.2	Very high	95.7	Very high	29 Å²	29	64.1 Å²	64.1	20%	0.203	34%	0.336	C	S	.	.			trans	-66.1	164.6	173	77.4	0	0	0	0	111.7	E431 E558 S559 V560	E431-S556 VanDerWaalsContact CD-OG 3.3Å; E431-S556 PolarHBondContact OE1-OG 3.44Å; E431-S556 WeakPolarHBondContact OE2-CB 3.22Å; E431-S556 PolarHBondContact OE2-OG 2.74Å; S556-E558 PolarHBondContact O-N 2.59Å; S556-E558 PolarHBondContact OG-N 2.74Å; S556-E558 PolarHBondContact OG-OE2 2.65Å; S556-S559 PolarHBondContact O-N 3.03Å; S556-S559 WeakPolarHBondContact OG-CB 3.33Å; S556-S559 PolarHBondContact OG-N 3.18Å; S556-S559 PolarHBondContact OG-OG 2.97Å; S556-V560 WeakPolarHBondContact O-CG2 3.47Å; S556-V560 PolarHBondContact O-N 3.31Å
557	K	91.6	Very high	95.8	Very high	176 Å²	176	57.2 Å²	57.2	77%	0.765	30%	0.304	S	S	*	.	H	α-helix	trans	-63.9	-33.1	176.8	-67.3	177.3	-177.1	173.4	0	110.9	S561	K557-S561 VanDerWaalsContact O-CB 3.22Å; K557-S561 WeakPolarHBondContact O-CB 3.34Å; K557-S561 PolarHBondContact O-N 3.32Å
558	E	92.9	Very high	96	Very high	52 Å²	52	54.9 Å²	54.9	24%	0.243	30%	0.296	C	S	.	.	H	α-helix	trans	-72.1	-44.4	-179.6	-64	75.4	-165.3	0	0	111	S556 S561 I562 L589	S556-E558 PolarHBondContact O-N 2.59Å; S556-E558 PolarHBondContact OG-N 2.74Å; S556-E558 PolarHBondContact OG-OE2 2.65Å; E558-S561 WeakPolarHBondContact O-CB 3.48Å; E558-S561 PolarHBondContact O-N 2.8Å; E558-I562 PolarHBondContact O-N 2.71Å; E558-L589 HydrophobicContact CB-CB 4.49Å; E558-L589 HydrophobicContact CG-CB 3.99Å; E558-L589 HydrophobicContact CG-CD1 4.45Å
559	S	97.2	Very high	96.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.5	-49.1	171.7	-79.3	0	0	0	0	112.2	E431 S556 S561 I562 C563 F590	E431-S559 PolarHBondContact OE2-OG 3.19Å; S556-S559 PolarHBondContact O-N 3.03Å; S556-S559 WeakPolarHBondContact OG-CB 3.33Å; S556-S559 PolarHBondContact OG-N 3.18Å; S556-S559 PolarHBondContact OG-OG 2.97Å; S559-S561 VanDerWaalsContact C-N 3.31Å; S559-S561 PolarHBondContact O-N 3.35Å; S559-I562 VanDerWaalsContact O-CG2 3.25Å; S559-I562 WeakPolarHBondContact O-CG2 3.26Å; S559-I562 PolarHBondContact O-N 3.31Å; S559-C563 PolarHBondContact O-N 2.88Å; S559-C563 VanDerWaalsContact O-N 3.13Å; S559-C563 PolarHBondContact O-SG 3.08Å; S559-F590 WeakPolarHBondContact OG-CE2 3.24Å
560	V	97.1	Very high	96	Very high	26 Å²	26	55.4 Å²	55.4	16%	0.158	29%	0.289	C	S	.	.	H	α-helix	trans	-65.4	-37.2	176.7	176	0	0	0	0	111.4	Y551 L555 S556 K564	Y551-V560 HydrophobicContact CD1-CG1 4.11Å; Y551-V560 HydrophobicContact CD1-CG2 4.25Å; Y551-V560 HydrophobicContact CD2-CG1 4.21Å; Y551-V560 HydrophobicContact CG-CG1 3.92Å; Y551-V560 HydrophobicContact CG-CG2 4.26Å; L555-V560 HydrophobicContact CB-CG2 3.74Å; L555-V560 HydrophobicContact CD1-CG2 4.26Å; S556-V560 WeakPolarHBondContact O-CG2 3.47Å; S556-V560 PolarHBondContact O-N 3.31Å; V560-K564 HydrophobicContact CG1-CD 3.98Å; V560-K564 HydrophobicContact CG1-CG 4.4Å; V560-K564 WeakPolarHBondContact O-CB 3.13Å; V560-K564 VanDerWaalsContact O-CG 3.31Å; V560-K564 WeakPolarHBondContact O-CG 3.33Å; V560-K564 PolarHBondContact O-N 2.82Å
561	S	95.2	Very high	96	Very high	51 Å²	51	53 Å²	53	36%	0.357	27%	0.271	S	S	.	.	H	α-helix	trans	-62.5	-48.1	178.8	-174.7	0	0	0	0	111.8	K557 E558 S559 K564 A565 H588	K557-S561 VanDerWaalsContact O-CB 3.22Å; K557-S561 WeakPolarHBondContact O-CB 3.34Å; K557-S561 PolarHBondContact O-N 3.32Å; E558-S561 WeakPolarHBondContact O-CB 3.48Å; E558-S561 PolarHBondContact O-N 2.8Å; S559-S561 VanDerWaalsContact C-N 3.31Å; S559-S561 PolarHBondContact O-N 3.35Å; S561-K564 PolarHBondContact O-N 3.28Å; S561-A565 WeakPolarHBondContact O-CB 3.42Å; S561-A565 PolarHBondContact O-N 2.84Å; S561-A565 VanDerWaalsContact O-N 3.12Å; S561-H588 PolarHBondContact OG-NE2 3.14Å
562	I	97.7	Very high	95.8	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67.8	-43.6	-178.7	-166.4	164.9	0	0	0	111.4	L522 E558 S559 K564 A565 L566 L575 H588 F590 F591	L522-I562 HydrophobicContact CD2-CB 4.48Å; L522-I562 HydrophobicContact CD2-CD1 4.05Å; L522-I562 HydrophobicContact CD2-CG1 4.17Å; L522-I562 HydrophobicContact CD2-CG2 3.57Å; E558-I562 PolarHBondContact O-N 2.71Å; S559-I562 VanDerWaalsContact O-CG2 3.25Å; S559-I562 WeakPolarHBondContact O-CG2 3.26Å; S559-I562 PolarHBondContact O-N 3.31Å; I562-K564 VanDerWaalsContact C-N 3.32Å; I562-K564 PolarHBondContact O-N 3.41Å; I562-A565 PolarHBondContact O-N 3.4Å; I562-A565 VanDerWaalsContact O-N 3.09Å; I562-L566 HydrophobicContact CD1-CD1 4.27Å; I562-L566 HydrophobicContact CG1-CD1 3.69Å; I562-L566 HydrophobicContact CG1-CG 4.24Å; I562-L566 WeakPolarHBondContact O-CG 3.36Å; I562-L566 PolarHBondContact O-N 3.38Å; I562-L575 HydrophobicContact CG1-CD2 4.1Å; I562-H588 VanDerWaalsContact CA-CE1 3.48Å; I562-H588 WeakPolarHBondContact CA-CE1 3.15Å; I562-H588 WeakPolarHBondContact CB-CE1 3.5Å; I562-H588 HydrophobicContact CD1-CB 4.44Å; I562-H588 PolarHBondContact N-CE1 3.03Å; I562-F590 HydrophobicContact CB-CB 3.95Å; I562-F590 HydrophobicContact CB-CG 4.26Å; I562-F590 HydrophobicContact CD1-CB 3.79Å; I562-F590 HydrophobicContact CD1-CD1 3.69Å; I562-F590 HydrophobicContact CD1-CG 3.98Å; I562-F590 HydrophobicContact CG1-CB 4.45Å; I562-F590 HydrophobicContact CG2-CB 3.87Å; I562-F590 HydrophobicContact CG2-CD1 4.08Å; I562-F590 HydrophobicContact CG2-CD2 3.81Å; I562-F590 HydrophobicContact CG2-CE2 4.37Å; I562-F590 HydrophobicContact CG2-CG 3.65Å; I562-F591 HydrophobicContact CD1-CD2 4.04Å; I562-F591 HydrophobicContact CD1-CE2 3.38Å; I562-F591 HydrophobicContact CD1-CZ 4.02Å
563	C	98.4	Very high	95.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-41.8	179.1	-65.8	0	0	0	0	111.1	Y551 S559 A565 L566 L567	Y551-C563 HydrophobicContact CE1-CB 3.7Å; S559-C563 PolarHBondContact O-N 2.88Å; S559-C563 VanDerWaalsContact O-N 3.13Å; S559-C563 PolarHBondContact O-SG 3.08Å; C563-A565 VanDerWaalsContact C-N 3.33Å; C563-A565 PolarHBondContact O-N 3.4Å; C563-L566 PolarHBondContact O-N 2.71Å; C563-L567 HydrophobicContact CB-CD1 4.44Å; C563-L567 WeakPolarHBondContact O-CB 3.36Å; C563-L567 VanDerWaalsContact O-CG 3.29Å; C563-L567 WeakPolarHBondContact O-CG 3.38Å; C563-L567 PolarHBondContact O-N 3.21Å
564	K	97.4	Very high	96	Very high	112 Å²	112	54.2 Å²	54.2	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-62.7	-39.1	175.1	-77.1	179	177.2	-179.2	0	112.8	Y551 V560 S561 I562 T568	Y551-K564 HydrophobicContact CE1-CG 4.36Å; Y551-K564 HydrophobicContact CE2-CD 4.23Å; Y551-K564 HydrophobicContact CE2-CG 3.75Å; Y551-K564 VanDerWaalsContact OH-CG 3.27Å; Y551-K564 WeakPolarHBondContact OH-CG 3.41Å; V560-K564 HydrophobicContact CG1-CD 3.98Å; V560-K564 HydrophobicContact CG1-CG 4.4Å; V560-K564 WeakPolarHBondContact O-CB 3.13Å; V560-K564 VanDerWaalsContact O-CG 3.31Å; V560-K564 WeakPolarHBondContact O-CG 3.33Å; V560-K564 PolarHBondContact O-N 2.82Å; S561-K564 PolarHBondContact O-N 3.28Å; I562-K564 VanDerWaalsContact C-N 3.32Å; I562-K564 PolarHBondContact O-N 3.41Å; K564-T568 PolarHBondContact O-N 2.84Å; K564-T568 PolarHBondContact O-OG1 2.87Å
565	A	96.7	Very high	96.1	Very high	27 Å²	27	51.2 Å²	51.2	22%	0.223	26%	0.255	C	S	.	.	H	α-helix	trans	-70.8	-37.6	-178.4	0	0	0	0	0	111.9	S561 I562 C563 L575	S561-A565 WeakPolarHBondContact O-CB 3.42Å; S561-A565 PolarHBondContact O-N 2.84Å; S561-A565 VanDerWaalsContact O-N 3.12Å; I562-A565 PolarHBondContact O-N 3.4Å; I562-A565 VanDerWaalsContact O-N 3.09Å; C563-A565 VanDerWaalsContact C-N 3.33Å; C563-A565 PolarHBondContact O-N 3.4Å; A565-L575 HydrophobicContact CB-CB 3.82Å; A565-L575 HydrophobicContact CB-CD2 4.08Å; A565-L575 HydrophobicContact CB-CG 4.46Å; A565-L575 PolarHBondContact O-N 2.8Å
566	L	98.3	Very high	96.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-77.3	-39.9	175.7	-67.6	165.1	0	0	0	112.8	W515 Y518 L522 I562 C563 T568 R574 L575	W515-L566 HydrophobicContact CB-CD2 4.31Å; W515-L566 HydrophobicContact CE3-CD2 4.43Å; Y518-L566 HydrophobicContact CD1-CD1 3.64Å; Y518-L566 HydrophobicContact CD1-CD2 4.01Å; Y518-L566 HydrophobicContact CD1-CG 4.47Å; Y518-L566 HydrophobicContact CE1-CD1 3.88Å; L522-L566 HydrophobicContact CD2-CD1 4.09Å; I562-L566 HydrophobicContact CD1-CD1 4.27Å; I562-L566 HydrophobicContact CG1-CD1 3.69Å; I562-L566 HydrophobicContact CG1-CG 4.24Å; I562-L566 WeakPolarHBondContact O-CG 3.36Å; I562-L566 PolarHBondContact O-N 3.38Å; C563-L566 PolarHBondContact O-N 2.71Å; L566-T568 PolarHBondContact O-N 2.82Å; L566-T568 VanDerWaalsContact O-N 3.15Å; L566-R574 WeakPolarHBondContact O-CD 3.45Å; L566-R574 WeakPolarHBondContact O-CG 3.39Å; L566-L575 HydrophobicContact CD2-CB 4.1Å; L566-L575 HydrophobicContact CD2-CD2 4.12Å; L566-L575 HydrophobicContact CD2-CG 4.35Å; L566-L575 HydrophobicContact CG-CB 4.43Å; L566-L575 HydrophobicContact CG-CD2 4.16Å
567	L	98.3	Very high	95.9	Very high	11 Å²	11	50.3 Å²	50.3	6%	0.058	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	29.4	179.3	-58.9	171.3	0	0	0	112.2	W516 V520 P531 I549 C563	W516-L567 HydrophobicContact CD2-CD2 4.15Å; W516-L567 HydrophobicContact CE3-CD2 4.26Å; W516-L567 HydrophobicContact CZ2-CD2 4.38Å; W516-L567 HydrophobicContact CZ3-CB 4.36Å; W516-L567 HydrophobicContact CZ3-CD2 4.44Å; V520-L567 HydrophobicContact CG2-CD2 3.74Å; P531-L567 HydrophobicContact CB-CD1 4.31Å; P531-L567 HydrophobicContact CG-CD1 4.25Å; I549-L567 HydrophobicContact CD1-CB 3.54Å; I549-L567 HydrophobicContact CD1-CD1 3.57Å; I549-L567 HydrophobicContact CD1-CG 4.11Å; C563-L567 HydrophobicContact CB-CD1 4.44Å; C563-L567 WeakPolarHBondContact O-CB 3.36Å; C563-L567 VanDerWaalsContact O-CG 3.29Å; C563-L567 WeakPolarHBondContact O-CG 3.38Å; C563-L567 PolarHBondContact O-N 3.21Å
568	T	97.8	Very high	95.6	Very high	42 Å²	42	43.5 Å²	43.5	26%	0.258	23%	0.23	S	C	.	.			trans	-79.6	121.2	170	-71.3	0	0	0	0	108.9	K564 L566 D570 K573 R574	K564-T568 PolarHBondContact O-N 2.84Å; K564-T568 PolarHBondContact O-OG1 2.87Å; L566-T568 PolarHBondContact O-N 2.82Å; L566-T568 VanDerWaalsContact O-N 3.15Å; T568-D570 VanDerWaalsContact C-N 3.33Å; T568-D570 HydrophobicContact CG2-CB 4.42Å; T568-D570 PolarHBondContact O-N 3.24Å; T568-K573 HydrophobicContact CG2-CB 3.85Å; T568-R574 PolarHBondContact O-NE 3.48Å; T568-R574 PolarHBondContact O-NH2 3.45Å
569	R	97.2	Very high	95.2	Very high	82 Å²	82	47.1 Å²	47.1	31%	0.309	26%	0.261	S	S	.	.	S	Bend	trans	-63.9	-34.9	-175.8	-68.9	-175	170.9	94.5	2.2	114	P501 W516 N543 I544 L545 H547 P571 R574	P501-R569 HydrophobicContact CG-CB 4.48Å; P501-R569 HydrophobicContact CG-CG 4.12Å; W516-R569 HydrophobicContact CH2-CG 4.22Å; W516-R569 HydrophobicContact CZ3-CG 4.11Å; N543-R569 PolarHBondContact O-NH2 3.14Å; I544-R569 VanDerWaalsContact O-CZ 3.24Å; I544-R569 PolarHBondContact O-NE 3.19Å; I544-R569 PolarHBondContact O-NH2 3.15Å; L545-R569 WeakPolarHBondContact O-CD 3.4Å; L545-R569 PolarHBondContact O-NE 3.05Å; H547-R569 PolarHBondContact O-NH1 2.65Å; H547-R569 PolarHBondContact O-NH2 2.92Å; R569-P571 WeakPolarHBondContact O-CD 3.47Å; R569-R574 PolarHBondContact O-NH2 3.4Å
570	D	96.1	Very high	94.7	Very high	58 Å²	58	51.6 Å²	51.6	31%	0.31	29%	0.285	S	S	.	.	S	Bend	trans	-76.4	109.3	175.7	-179.1	-4.2	0	0	0	109.7	T568 M572 K573 R574	T568-D570 VanDerWaalsContact C-N 3.33Å; T568-D570 HydrophobicContact CG2-CB 4.42Å; T568-D570 PolarHBondContact O-N 3.24Å; D570-M572 PolarHBondContact O-N 2.88Å; D570-M572 VanDerWaalsContact O-N 3.16Å; D570-M572 WeakPolarHBondContact OD1-CB 3.48Å; D570-M572 PolarHBondContact OD1-N 3.39Å; D570-M572 VanDerWaalsContact OD1-N 3.14Å; D570-K573 HydrophobicContact CB-CB 4.3Å; D570-K573 HydrophobicContact CB-CD 4.46Å; D570-K573 HydrophobicContact CB-CG 4.4Å; D570-K573 PolarHBondContact O-N 3.32Å; D570-K573 WeakPolarHBondContact OD2-CE 3.5Å; D570-K573 WeakPolarHBondContact OD2-CG 3.46Å; D570-K573 IonicContact OD2-NZ 3.96Å; D570-K573 PolarHBondContact OD2-NZ 3.04Å; D570-R574 PolarHBondContact O-N 3.4Å; D570-R574 VanDerWaalsContact O-N 3.15Å
571	P	95.6	Very high	94.5	Very high	35 Å²	35	50.4 Å²	50.4	23%	0.227	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-59.3	-30.4	-175.9	-23.4	35.7	0	0	0	112.7	E502 R569 K573 R574 C577	E502-P571 HydrophobicContact CB-CG 4.28Å; E502-P571 HydrophobicContact CG-CG 4.27Å; R569-P571 WeakPolarHBondContact O-CD 3.47Å; P571-K573 PolarHBondContact O-N 2.84Å; P571-R574 WeakPolarHBondContact O-CB 3.42Å; P571-R574 PolarHBondContact O-N 3.4Å; P571-C577 WeakPolarHBondContact O-CB 3.14Å
572	M	92.7	Very high	94.5	Very high	172 Å²	172	52 Å²	52	85%	0.847	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-70.5	-18.5	179.2	-64.4	-61.6	-66.5	0	0	113.3	D570	D570-M572 PolarHBondContact O-N 2.88Å; D570-M572 VanDerWaalsContact O-N 3.16Å; D570-M572 WeakPolarHBondContact OD1-CB 3.48Å; D570-M572 PolarHBondContact OD1-N 3.39Å; D570-M572 VanDerWaalsContact OD1-N 3.14Å
573	K	94.7	Very high	94.2	Very high	157 Å²	157	57.2 Å²	57.2	68%	0.683	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-107.2	-4.5	177.4	-63.8	-174.9	-175.3	106.2	0	112.8	T568 D570 P571	T568-K573 HydrophobicContact CG2-CB 3.85Å; D570-K573 HydrophobicContact CB-CB 4.3Å; D570-K573 HydrophobicContact CB-CD 4.46Å; D570-K573 HydrophobicContact CB-CG 4.4Å; D570-K573 PolarHBondContact O-N 3.32Å; D570-K573 WeakPolarHBondContact OD2-CE 3.5Å; D570-K573 WeakPolarHBondContact OD2-CG 3.46Å; D570-K573 IonicContact OD2-NZ 3.96Å; D570-K573 PolarHBondContact OD2-NZ 3.04Å; P571-K573 PolarHBondContact O-N 2.84Å
574	R	97.5	Very high	93.9	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.015	32%	0.322	C	S	.	.	S	Bend	trans	-75.2	137.7	-178	-171.3	-177.4	-59.4	150.6	3.8	110.4	E502 S512 L566 T568 R569 D570 P571 G576 C577	E502-R574 IonicContact OE1-CZ 3.54Å; E502-R574 IonicContact OE1-NH1 3.01Å; E502-R574 PolarHBondContact OE1-NH1 3.09Å; E502-R574 IonicContact OE1-NH2 3.37Å; E502-R574 PolarHBondContact OE1-NH2 3.33Å; E502-R574 IonicContact OE2-CZ 2.7Å; E502-R574 IonicContact OE2-NH1 2.72Å; E502-R574 IonicContact OE2-NH2 2.68Å; E502-R574 PolarHBondContact OE2-NH2 3.46Å; S512-R574 VanDerWaalsContact C-NH1 3.32Å; S512-R574 PolarHBondContact O-NH1 3.32Å; L566-R574 WeakPolarHBondContact O-CD 3.45Å; L566-R574 WeakPolarHBondContact O-CG 3.39Å; T568-R574 PolarHBondContact O-NE 3.48Å; T568-R574 PolarHBondContact O-NH2 3.45Å; R569-R574 PolarHBondContact O-NH2 3.4Å; D570-R574 PolarHBondContact O-N 3.4Å; D570-R574 VanDerWaalsContact O-N 3.15Å; P571-R574 WeakPolarHBondContact O-CB 3.42Å; P571-R574 PolarHBondContact O-N 3.4Å; R574-G576 PolarHBondContact O-N 2.99Å; R574-C577 WeakPolarHBondContact O-CB 3.38Å; R574-C577 PolarHBondContact O-N 3.28Å
575	L	96.3	Very high	93.8	Very high	20 Å²	20	56 Å²	56	11%	0.105	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	137	175.5	-176	66.7	0	0	0	110.5	I562 A565 L566 C577 E584 I585	I562-L575 HydrophobicContact CG1-CD2 4.1Å; A565-L575 HydrophobicContact CB-CB 3.82Å; A565-L575 HydrophobicContact CB-CD2 4.08Å; A565-L575 HydrophobicContact CB-CG 4.46Å; A565-L575 PolarHBondContact O-N 2.8Å; L566-L575 HydrophobicContact CD2-CB 4.1Å; L566-L575 HydrophobicContact CD2-CD2 4.12Å; L566-L575 HydrophobicContact CD2-CG 4.35Å; L566-L575 HydrophobicContact CG-CB 4.43Å; L566-L575 HydrophobicContact CG-CD2 4.16Å; L575-C577 VanDerWaalsContact C-N 3.35Å; L575-E584 HydrophobicContact CD1-CB 3.7Å; L575-I585 HydrophobicContact CD2-CG1 4.2Å; L575-I585 HydrophobicContact CG-CG1 3.89Å
576	G	94.2	Very high	93.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	-8.6	179.2	0	0	0	0	0	115.4	W515 R574	W515-G576 PolarHBondContact NE1-O 3.49Å; R574-G576 PolarHBondContact O-N 2.99Å
577	C	91.2	Very high	93.3	Very high	32 Å²	32	64 Å²	64	22%	0.216	33%	0.33	C	S	.	.			trans	-95.6	-14.6	-173.5	-59.7	0	0	0	0	114.2	S512 P571 R574 L575	S512-C577 VanDerWaalsContact CA-SG 3.56Å; S512-C577 WeakPolarHBondContact CB-SG 3.41Å; P571-C577 WeakPolarHBondContact O-CB 3.14Å; R574-C577 WeakPolarHBondContact O-CB 3.38Å; R574-C577 PolarHBondContact O-N 3.28Å; L575-C577 VanDerWaalsContact C-N 3.35Å
578	G	84.8	Confident	92.9	Very high	33 Å²	33	64.7 Å²	64.7	34%	0.34	33%	0.333	S	S	.	.	S	Bend	trans	-74.8	176.3	176.2	0	0	0	0	0	114	D580 G581	G578-D580 PolarHBondContact O-N 3.12Å; G578-G581 PolarHBondContact O-N 3.3Å
579	S	85.3	Confident	92.6	Very high	128 Å²	128	64.1 Å²	64.1	90%	0.895	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.6	174.9	53.9	0	0	0	0	112.8
580	D	87.4	Confident	92.5	Very high	94 Å²	94	60.3 Å²	60.3	50%	0.503	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	20	175.1	-68.7	-44.7	0	0	0	112.3	G578 E582 K583 E584	G578-D580 PolarHBondContact O-N 3.12Å; D580-E582 PolarHBondContact O-N 3.24Å; D580-K583 HydrophobicContact CB-CB 4.48Å; D580-K583 WeakPolarHBondContact O-CA 3.38Å; D580-K583 WeakPolarHBondContact O-CB 3.09Å; D580-K583 PolarHBondContact O-N 3.06Å; D580-E584 HydrophobicContact CB-CG 4.41Å; D580-E584 WeakPolarHBondContact O-CG 3.48Å; D580-E584 PolarHBondContact O-N 3.25Å
581	G	91.8	Very high	92.4	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-54.4	-43	-167.8	0	0	0	0	0	115.1	G578 K583 E584 I585	G578-G581 PolarHBondContact O-N 3.3Å; G581-K583 PolarHBondContact O-N 3.06Å; G581-E584 PolarHBondContact O-N 3Å; G581-I585 WeakPolarHBondContact O-CG1 3.45Å; G581-I585 PolarHBondContact O-N 3.14Å; G581-I585 VanDerWaalsContact O-N 3.11Å
582	E	94.7	Very high	92.1	Very high	85 Å²	85	60 Å²	60	40%	0.397	30%	0.304	S	S	.	.	H	α-helix	trans	-60.1	-46.7	175	172.2	174	159.6	0	0	111.5	F446 D580 E584 I585 K586	F446-E582 HydrophobicContact CD1-CB 3.91Å; F446-E582 HydrophobicContact CD1-CG 3.69Å; F446-E582 HydrophobicContact CD2-CG 3.96Å; F446-E582 HydrophobicContact CE1-CB 3.85Å; F446-E582 HydrophobicContact CE1-CG 3.68Å; F446-E582 HydrophobicContact CE2-CG 3.98Å; F446-E582 HydrophobicContact CG-CG 3.85Å; F446-E582 HydrophobicContact CZ-CB 4.42Å; F446-E582 HydrophobicContact CZ-CG 3.84Å; D580-E582 PolarHBondContact O-N 3.24Å; E582-E584 PolarHBondContact O-N 2.96Å; E582-I585 PolarHBondContact O-N 3.41Å; E582-K586 HydrophobicContact CG-CD 4.06Å; E582-K586 HydrophobicContact CG-CG 4.42Å; E582-K586 WeakPolarHBondContact O-CG 3.47Å; E582-K586 PolarHBondContact O-N 2.94Å; E582-K586 VanDerWaalsContact OE1-CE 3.3Å; E582-K586 WeakPolarHBondContact OE1-CE 3.24Å; E582-K586 IonicContact OE1-NZ 2.79Å; E582-K586 PolarHBondContact OE1-NZ 3.44Å
583	K	91.7	Very high	91.9	Very high	108 Å²	108	54 Å²	54	47%	0.47	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-42.2	178.5	-179.7	-176.6	175	-173.6	0	111.3	D580 G581 I585 K586 E587	D580-K583 HydrophobicContact CB-CB 4.48Å; D580-K583 WeakPolarHBondContact O-CA 3.38Å; D580-K583 WeakPolarHBondContact O-CB 3.09Å; D580-K583 PolarHBondContact O-N 3.06Å; G581-K583 PolarHBondContact O-N 3.06Å; K583-I585 VanDerWaalsContact C-N 3.28Å; K583-I585 PolarHBondContact O-N 3.05Å; K583-K586 PolarHBondContact O-N 2.85Å; K583-E587 WeakPolarHBondContact CE-OE1 3.32Å; K583-E587 WeakPolarHBondContact CE-OE2 3.36Å; K583-E587 HydrophobicContact CG-CG 4.1Å; K583-E587 VanDerWaalsContact O-CB 3.31Å; K583-E587 WeakPolarHBondContact O-CB 3.31Å; K583-E587 WeakPolarHBondContact O-CG 3.1Å; K583-E587 PolarHBondContact O-N 2.87Å
584	E	92.5	Very high	91.7	Very high	86 Å²	86	47.3 Å²	47.3	40%	0.402	24%	0.244	S	C	.	.	H	α-helix	trans	-59.4	-39.7	177.5	-68.6	179.6	163.2	0	0	112.2	L575 D580 G581 E582 H588	L575-E584 HydrophobicContact CD1-CB 3.7Å; D580-E584 HydrophobicContact CB-CG 4.41Å; D580-E584 WeakPolarHBondContact O-CG 3.48Å; D580-E584 PolarHBondContact O-N 3.25Å; G581-E584 PolarHBondContact O-N 3Å; E582-E584 PolarHBondContact O-N 2.96Å; E584-H588 PolarHBondContact O-N 3.09Å
585	I	96.1	Very high	91.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.2	-52.4	174.4	-68.7	164.2	0	0	0	109.9	F446 W515 L575 G581 E582 K583 E587 H588 F591	F446-I585 HydrophobicContact CE1-CB 4.45Å; F446-I585 HydrophobicContact CE1-CD1 3.99Å; F446-I585 HydrophobicContact CZ-CB 4.09Å; F446-I585 HydrophobicContact CZ-CD1 4.4Å; F446-I585 HydrophobicContact CZ-CG2 3.89Å; W515-I585 HydrophobicContact CD2-CD1 3.56Å; W515-I585 HydrophobicContact CE3-CD1 3.48Å; W515-I585 VanDerWaalsContact CE3-CD1 3.48Å; W515-I585 HydrophobicContact CG-CD1 4.47Å; W515-I585 HydrophobicContact CH2-CD1 3.42Å; W515-I585 VanDerWaalsContact CH2-CD1 3.42Å; W515-I585 HydrophobicContact CZ2-CD1 3.46Å; W515-I585 VanDerWaalsContact CZ2-CD1 3.46Å; W515-I585 HydrophobicContact CZ3-CD1 3.42Å; W515-I585 VanDerWaalsContact CZ3-CD1 3.42Å; L575-I585 HydrophobicContact CD2-CG1 4.2Å; L575-I585 HydrophobicContact CG-CG1 3.89Å; G581-I585 WeakPolarHBondContact O-CG1 3.45Å; G581-I585 PolarHBondContact O-N 3.14Å; G581-I585 VanDerWaalsContact O-N 3.11Å; E582-I585 PolarHBondContact O-N 3.41Å; K583-I585 VanDerWaalsContact C-N 3.28Å; K583-I585 PolarHBondContact O-N 3.05Å; I585-E587 PolarHBondContact O-N 3.36Å; I585-H588 WeakPolarHBondContact O-CB 3.47Å; I585-H588 PolarHBondContact O-N 2.86Å; I585-F591 HydrophobicContact CG2-CD2 4.45Å; I585-F591 HydrophobicContact CG2-CE2 3.98Å; I585-F591 WeakPolarHBondContact O-CD2 3.08Å
586	K	93.6	Very high	91.2	Very high	65 Å²	65	48.3 Å²	48.3	28%	0.283	25%	0.247	S	C	.	.	H	α-helix	trans	-58.1	-35.9	-177.7	-71.9	-174.5	168.3	172.5	0	113.2	F446 E582 K583 W596	F446-K586 HydrophobicContact CE2-CD 4.38Å; F446-K586 HydrophobicContact CE2-CG 4.01Å; F446-K586 HydrophobicContact CZ-CG 4.21Å; E582-K586 HydrophobicContact CG-CD 4.06Å; E582-K586 HydrophobicContact CG-CG 4.42Å; E582-K586 WeakPolarHBondContact O-CG 3.47Å; E582-K586 PolarHBondContact O-N 2.94Å; E582-K586 VanDerWaalsContact OE1-CE 3.3Å; E582-K586 WeakPolarHBondContact OE1-CE 3.24Å; E582-K586 IonicContact OE1-NZ 2.79Å; E582-K586 PolarHBondContact OE1-NZ 3.44Å; K583-K586 PolarHBondContact O-N 2.85Å; K586-W596 HydrophobicContact CB-CD2 4.32Å; K586-W596 HydrophobicContact CB-CG 4.4Å; K586-W596 HydrophobicContact CB-CZ2 4.23Å; K586-W596 HydrophobicContact CD-CB 4.49Å; K586-W596 HydrophobicContact CD-CD2 4.14Å; K586-W596 HydrophobicContact CD-CG 4.07Å; K586-W596 HydrophobicContact CG-CD2 3.69Å; K586-W596 HydrophobicContact CG-CE3 4.19Å; K586-W596 HydrophobicContact CG-CG 4.01Å; K586-W596 HydrophobicContact CG-CH2 4.39Å; K586-W596 HydrophobicContact CG-CZ2 3.94Å; K586-W596 HydrophobicContact CG-CZ3 4.5Å; K586-W596 PolarHBondContact O-NE1 2.8Å
587	E	89.4	Confident	91.1	Very high	130 Å²	130	52.1 Å²	52.1	61%	0.607	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.3	-179.1	-66.6	-177.3	166	0	0	113.9	K583 I585	K583-E587 WeakPolarHBondContact CE-OE1 3.32Å; K583-E587 WeakPolarHBondContact CE-OE2 3.36Å; K583-E587 HydrophobicContact CG-CG 4.1Å; K583-E587 VanDerWaalsContact O-CB 3.31Å; K583-E587 WeakPolarHBondContact O-CB 3.31Å; K583-E587 WeakPolarHBondContact O-CG 3.1Å; K583-E587 PolarHBondContact O-N 2.87Å; I585-E587 PolarHBondContact O-N 3.36Å
588	H	91.6	Very high	91.1	Very high	27 Å²	27	53 Å²	53	13%	0.125	27%	0.268	C	S	.	.	S	Bend	trans	-64	138.6	178.6	-168.8	-82.9	0	0	0	111	S561 I562 E584 I585 F590 F591	S561-H588 PolarHBondContact OG-NE2 3.14Å; I562-H588 VanDerWaalsContact CA-CE1 3.48Å; I562-H588 WeakPolarHBondContact CA-CE1 3.15Å; I562-H588 WeakPolarHBondContact CB-CE1 3.5Å; I562-H588 HydrophobicContact CD1-CB 4.44Å; I562-H588 PolarHBondContact N-CE1 3.03Å; E584-H588 PolarHBondContact O-N 3.09Å; I585-H588 WeakPolarHBondContact O-CB 3.47Å; I585-H588 PolarHBondContact O-N 2.86Å; H588-F590 WeakPolarHBondContact ND1-CB 3.46Å; H588-F590 PolarHBondContact ND1-N 3.47Å; H588-F590 PolarHBondContact O-N 2.83Å; H588-F591 PolarHBondContact O-N 2.96Å
589	L	89.9	Confident	91.6	Very high	30 Å²	30	51.5 Å²	51.5	16%	0.157	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-53.7	-24.5	-177.1	-84.5	172.8	0	0	0	115.9	N129 C130 E558 F591 R592	N129-L589 WeakPolarHBondContact O-CD1 2.9Å; N129-L589 VanDerWaalsContact O-CG 3.25Å; N129-L589 WeakPolarHBondContact O-CG 3.44Å; C130-L589 HydrophobicContact CB-CD2 4.32Å; E558-L589 HydrophobicContact CB-CB 4.49Å; E558-L589 HydrophobicContact CG-CB 3.99Å; E558-L589 HydrophobicContact CG-CD1 4.45Å; L589-F591 VanDerWaalsContact C-N 3.27Å; L589-R592 VanDerWaalsContact O-CB 3.27Å; L589-R592 WeakPolarHBondContact O-CB 3.17Å; L589-R592 WeakPolarHBondContact O-CD 3.48Å; L589-R592 WeakPolarHBondContact O-CG 3.26Å; L589-R592 PolarHBondContact O-N 3.37Å; L589-R592 PolarHBondContact O-NH1 2.78Å; L589-R592 VanDerWaalsContact O-NH1 3.1Å
590	F	95.2	Very high	92.1	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.009	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-61.7	-38.8	175.1	-177.1	-105.7	0	0	0	110.9	E431 V435 A438 L522 L526 S559 I562 H588 R592	E431-F590 HydrophobicContact CG-CE2 3.96Å; V435-F590 HydrophobicContact CB-CE1 4.16Å; V435-F590 HydrophobicContact CB-CZ 4.21Å; V435-F590 HydrophobicContact CG2-CD1 4Å; V435-F590 HydrophobicContact CG2-CD2 4.12Å; V435-F590 HydrophobicContact CG2-CE1 3.5Å; V435-F590 VanDerWaalsContact CG2-CE1 3.5Å; V435-F590 HydrophobicContact CG2-CE2 3.61Å; V435-F590 HydrophobicContact CG2-CG 4.29Å; V435-F590 HydrophobicContact CG2-CZ 3.26Å; A438-F590 HydrophobicContact CB-CE1 4.48Å; L522-F590 HydrophobicContact CD1-CE1 3.76Å; L522-F590 HydrophobicContact CD1-CZ 3.61Å; L522-F590 HydrophobicContact CD2-CD1 4.33Å; L522-F590 HydrophobicContact CD2-CE1 3.93Å; L522-F590 HydrophobicContact CD2-CZ 4.26Å; L522-F590 HydrophobicContact CG-CE1 4.48Å; L522-F590 HydrophobicContact CG-CZ 4.46Å; L526-F590 HydrophobicContact CD1-CE2 4.17Å; L526-F590 HydrophobicContact CD1-CZ 4.31Å; L526-F590 HydrophobicContact CD2-CE2 4.46Å; S559-F590 WeakPolarHBondContact OG-CE2 3.24Å; I562-F590 HydrophobicContact CB-CB 3.95Å; I562-F590 HydrophobicContact CB-CG 4.26Å; I562-F590 HydrophobicContact CD1-CB 3.79Å; I562-F590 HydrophobicContact CD1-CD1 3.69Å; I562-F590 HydrophobicContact CD1-CG 3.98Å; I562-F590 HydrophobicContact CG1-CB 4.45Å; I562-F590 HydrophobicContact CG2-CB 3.87Å; I562-F590 HydrophobicContact CG2-CD1 4.08Å; I562-F590 HydrophobicContact CG2-CD2 3.81Å; I562-F590 HydrophobicContact CG2-CE2 4.37Å; I562-F590 HydrophobicContact CG2-CG 3.65Å; H588-F590 WeakPolarHBondContact ND1-CB 3.46Å; H588-F590 PolarHBondContact ND1-N 3.47Å; H588-F590 PolarHBondContact O-N 2.83Å; F590-R592 VanDerWaalsContact C-N 3.35Å; F590-R592 PolarHBondContact O-N 3.03Å
591	F	95	Very high	92.3	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.013	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-92.1	16.6	177.5	-60.5	-66.6	0	0	0	113.6	V435 A438 A439 Y518 I562 I585 H588 L589 R593 I594 W596	V435-F591 HydrophobicContact CG1-CD1 3.99Å; V435-F591 HydrophobicContact CG1-CE1 4.43Å; A438-F591 HydrophobicContact CB-CE1 4.01Å; A438-F591 HydrophobicContact CB-CZ 4.06Å; A439-F591 HydrophobicContact CB-CD1 4.32Å; A439-F591 HydrophobicContact CB-CE1 4.19Å; Y518-F591 VanDerWaalsContact OH-CZ 3.24Å; Y518-F591 WeakPolarHBondContact OH-CZ 3.47Å; I562-F591 HydrophobicContact CD1-CD2 4.04Å; I562-F591 HydrophobicContact CD1-CE2 3.38Å; I562-F591 HydrophobicContact CD1-CZ 4.02Å; I585-F591 HydrophobicContact CG2-CD2 4.45Å; I585-F591 HydrophobicContact CG2-CE2 3.98Å; I585-F591 WeakPolarHBondContact O-CD2 3.08Å; H588-F591 PolarHBondContact O-N 2.96Å; L589-F591 VanDerWaalsContact C-N 3.27Å; F591-R593 PolarHBondContact O-N 3.49Å; F591-I594 HydrophobicContact CB-CB 4.23Å; F591-I594 HydrophobicContact CB-CG1 4.34Å; F591-I594 HydrophobicContact CD1-CG1 3.98Å; F591-I594 WeakPolarHBondContact O-CB 3.3Å; F591-I594 PolarHBondContact O-N 3.14Å; F591-W596 HydrophobicContact CB-CZ2 3.9Å; F591-W596 HydrophobicContact CD1-CH2 4.3Å; F591-W596 AromaticContact CD1-CZ2 3.94Å; F591-W596 HydrophobicContact CD1-CZ2 3.94Å; F591-W596 HydrophobicContact CD2-CH2 4.4Å; F591-W596 AromaticContact CD2-CZ2 3.81Å; F591-W596 HydrophobicContact CD2-CZ2 3.81Å; F591-W596 HydrophobicContact CE1-CH2 4.39Å; F591-W596 HydrophobicContact CE1-CZ2 4.44Å; F591-W596 HydrophobicContact CE2-CH2 4.45Å; F591-W596 HydrophobicContact CE2-CZ2 4.3Å; F591-W596 HydrophobicContact CG-CH2 4.32Å; F591-W596 AromaticContact CG-CZ2 3.61Å; F591-W596 HydrophobicContact CG-CZ2 3.61Å; F591-W596 HydrophobicContact CZ-CH2 4.48Å
592	R	88.2	Confident	92.4	Very high	82 Å²	82	49 Å²	49	31%	0.309	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-17.2	-177.2	70.9	-174.8	178.5	-82.1	-1.5	115.1	E277 L589 F590	E277-R592 IonicContact OE1-NH2 3.01Å; E277-R592 PolarHBondContact OE1-NH2 3.49Å; L589-R592 VanDerWaalsContact O-CB 3.27Å; L589-R592 WeakPolarHBondContact O-CB 3.17Å; L589-R592 WeakPolarHBondContact O-CD 3.48Å; L589-R592 WeakPolarHBondContact O-CG 3.26Å; L589-R592 PolarHBondContact O-N 3.37Å; L589-R592 PolarHBondContact O-NH1 2.78Å; L589-R592 VanDerWaalsContact O-NH1 3.1Å; F590-R592 VanDerWaalsContact C-N 3.35Å; F590-R592 PolarHBondContact O-N 3.03Å
593	R	89.2	Confident	92.2	Very high	46 Å²	46	46.6 Å²	46.6	17%	0.174	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-4.5	179.1	-54.9	-54.6	-168.8	-166	5.3	112.8	D149 E277 Y281 I283 F591	D149-R593 IonicContact OD2-CZ 2.73Å; D149-R593 IonicContact OD2-NH1 2.87Å; D149-R593 PolarHBondContact OD2-NH1 3.44Å; D149-R593 IonicContact OD2-NH2 2.71Å; D149-R593 PolarHBondContact OD2-NH2 2.89Å; E277-R593 IonicContact OE1-CZ 2.76Å; E277-R593 IonicContact OE1-NE 2.82Å; E277-R593 IonicContact OE1-NH2 2.8Å; E277-R593 PolarHBondContact OE1-NH2 2.87Å; E277-R593 VanDerWaalsContact OE1-NH2 3.17Å; Y281-R593 HydrophobicContact CD1-CB 4.17Å; Y281-R593 HydrophobicContact CD2-CG 4.25Å; Y281-R593 HydrophobicContact CE1-CB 3.88Å; Y281-R593 HydrophobicContact CE2-CB 4.28Å; Y281-R593 HydrophobicContact CE2-CG 4.03Å; I283-R593 VanDerWaalsContact CD1-CD 3.49Å; I283-R593 VanDerWaalsContact CD1-NE 3.31Å; F591-R593 PolarHBondContact O-N 3.49Å
594	I	90.7	Very high	92.2	Very high	18 Å²	18	43.1 Å²	43.1	9%	0.092	21%	0.205	C	C	.	.			trans	-87.9	131	-176.9	-69	-54.6	0	0	0	110.7	V435 A439 F591 W596 I599	V435-I594 HydrophobicContact CG1-CD1 3.73Å; V435-I594 HydrophobicContact CG1-CG1 3.48Å; V435-I594 VanDerWaalsContact CG1-CG1 3.48Å; A439-I594 HydrophobicContact CB-CD1 4.42Å; A439-I594 HydrophobicContact CB-CG1 4.24Å; A439-I594 HydrophobicContact CB-CG2 4.13Å; F591-I594 HydrophobicContact CB-CB 4.23Å; F591-I594 HydrophobicContact CB-CG1 4.34Å; F591-I594 HydrophobicContact CD1-CG1 3.98Å; F591-I594 WeakPolarHBondContact O-CB 3.3Å; F591-I594 PolarHBondContact O-N 3.14Å; I594-W596 HydrophobicContact CG2-CD2 3.87Å; I594-W596 HydrophobicContact CG2-CE3 4.44Å; I594-W596 HydrophobicContact CG2-CG 3.98Å; I594-W596 HydrophobicContact CG2-CZ2 4.48Å; I594-I599 HydrophobicContact CD1-CD1 4.29Å; I594-I599 HydrophobicContact CD1-CG1 4.38Å; I594-I599 HydrophobicContact CG2-CG1 3.73Å
595	D	89.1	Confident	92.1	Very high	17 Å²	17	39.6 Å²	39.6	9%	0.091	19%	0.189	C	C	.	.			trans	-96.3	100.2	164	-173.9	-32.5	0	0	0	107.4	Y294 D597 K598 I599	Y294-D595 WeakPolarHBondContact OH-CB 3.43Å; D595-D597 PolarHBondContact O-N 3.16Å; D595-D597 PolarHBondContact OD1-N 3.36Å; D595-K598 HydrophobicContact CB-CB 4Å; D595-K598 HydrophobicContact CB-CD 4.06Å; D595-K598 HydrophobicContact CB-CG 4.18Å; D595-K598 PolarHBondContact O-N 3.11Å; D595-K598 PolarHBondContact OD1-N 3.08Å; D595-K598 VanDerWaalsContact OD1-N 3.14Å; D595-K598 VanDerWaalsContact OD2-CD 3.27Å; D595-K598 WeakPolarHBondContact OD2-CD 3.31Å; D595-K598 WeakPolarHBondContact OD2-CE 3.41Å; D595-K598 WeakPolarHBondContact OD2-CG 3.41Å; D595-K598 IonicContact OD2-NZ 2.83Å; D595-K598 PolarHBondContact OD2-NZ 3.16Å; D595-I599 WeakPolarHBondContact O-CG1 3.34Å; D595-I599 PolarHBondContact O-N 2.93Å
596	W	93.9	Very high	92	Very high	27 Å²	27	40.3 Å²	40.3	10%	0.102	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-29.7	-172.2	-74.1	96.9	0	0	0	113.1	A439 A442 V443 F446 K586 F591 I594 A600	A439-W596 HydrophobicContact CB-CH2 4.03Å; A439-W596 HydrophobicContact CB-CZ3 3.95Å; A439-W596 WeakPolarHBondContact O-CZ3 3.37Å; A442-W596 HydrophobicContact CB-CH2 3.94Å; A442-W596 HydrophobicContact CB-CZ3 3.95Å; V443-W596 HydrophobicContact CG2-CE3 3.94Å; V443-W596 HydrophobicContact CG2-CZ3 4.07Å; F446-W596 HydrophobicContact CE2-CE3 4.4Å; F446-W596 HydrophobicContact CE2-CH2 4.31Å; F446-W596 AromaticContact CE2-CZ3 3.91Å; F446-W596 HydrophobicContact CE2-CZ3 3.91Å; K586-W596 HydrophobicContact CB-CD2 4.32Å; K586-W596 HydrophobicContact CB-CG 4.4Å; K586-W596 HydrophobicContact CB-CZ2 4.23Å; K586-W596 HydrophobicContact CD-CB 4.49Å; K586-W596 HydrophobicContact CD-CD2 4.14Å; K586-W596 HydrophobicContact CD-CG 4.07Å; K586-W596 HydrophobicContact CG-CD2 3.69Å; K586-W596 HydrophobicContact CG-CE3 4.19Å; K586-W596 HydrophobicContact CG-CG 4.01Å; K586-W596 HydrophobicContact CG-CH2 4.39Å; K586-W596 HydrophobicContact CG-CZ2 3.94Å; K586-W596 HydrophobicContact CG-CZ3 4.5Å; K586-W596 PolarHBondContact O-NE1 2.8Å; F591-W596 HydrophobicContact CB-CZ2 3.9Å; F591-W596 HydrophobicContact CD1-CH2 4.3Å; F591-W596 AromaticContact CD1-CZ2 3.94Å; F591-W596 HydrophobicContact CD1-CZ2 3.94Å; F591-W596 HydrophobicContact CD2-CH2 4.4Å; F591-W596 AromaticContact CD2-CZ2 3.81Å; F591-W596 HydrophobicContact CD2-CZ2 3.81Å; F591-W596 HydrophobicContact CE1-CH2 4.39Å; F591-W596 HydrophobicContact CE1-CZ2 4.44Å; F591-W596 HydrophobicContact CE2-CH2 4.45Å; F591-W596 HydrophobicContact CE2-CZ2 4.3Å; F591-W596 HydrophobicContact CG-CH2 4.32Å; F591-W596 AromaticContact CG-CZ2 3.61Å; F591-W596 HydrophobicContact CG-CZ2 3.61Å; F591-W596 HydrophobicContact CZ-CH2 4.48Å; I594-W596 HydrophobicContact CG2-CD2 3.87Å; I594-W596 HydrophobicContact CG2-CE3 4.44Å; I594-W596 HydrophobicContact CG2-CG 3.98Å; I594-W596 HydrophobicContact CG2-CZ2 4.48Å; W596-A600 WeakPolarHBondContact O-CB 3.32Å; W596-A600 PolarHBondContact O-N 3.16Å
597	D	92	Very high	91.9	Very high	80 Å²	80	39 Å²	39	43%	0.428	19%	0.192	S	C	.	.	H	α-helix	trans	-73.3	-43.6	177.2	-63.6	-49.2	0	0	0	110.3	D595 I599 A600 L601	D595-D597 PolarHBondContact O-N 3.16Å; D595-D597 PolarHBondContact OD1-N 3.36Å; D597-I599 VanDerWaalsContact C-N 3.32Å; D597-I599 PolarHBondContact O-N 2.87Å; D597-A600 PolarHBondContact O-N 3.33Å; D597-L601 WeakPolarHBondContact O-CB 3.29Å; D597-L601 VanDerWaalsContact O-CG 3.24Å; D597-L601 WeakPolarHBondContact O-CG 3.46Å; D597-L601 PolarHBondContact O-N 3.39Å
598	K	91.3	Very high	91.9	Very high	52 Å²	52	35 Å²	35	23%	0.226	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-37.7	172.8	-71.6	-177	-171.5	132.3	0	112.9	D595 L601 R602 L603 V604	D595-K598 HydrophobicContact CB-CB 4Å; D595-K598 HydrophobicContact CB-CD 4.06Å; D595-K598 HydrophobicContact CB-CG 4.18Å; D595-K598 PolarHBondContact O-N 3.11Å; D595-K598 PolarHBondContact OD1-N 3.08Å; D595-K598 VanDerWaalsContact OD1-N 3.14Å; D595-K598 VanDerWaalsContact OD2-CD 3.27Å; D595-K598 WeakPolarHBondContact OD2-CD 3.31Å; D595-K598 WeakPolarHBondContact OD2-CE 3.41Å; D595-K598 WeakPolarHBondContact OD2-CG 3.41Å; D595-K598 IonicContact OD2-NZ 2.83Å; D595-K598 PolarHBondContact OD2-NZ 3.16Å; K598-L601 CarbonylContact O-C 3.5Å; K598-L601 PolarHBondContact O-N 3.24Å; K598-R602 PolarHBondContact O-N 3.46Å; K598-R602 VanDerWaalsContact O-N 3.14Å; K598-L603 HydrophobicContact CB-CB 3.96Å; K598-L603 HydrophobicContact CG-CB 4.1Å; K598-L603 HydrophobicContact CG-CD1 4.33Å; K598-L603 PolarHBondContact O-N 2.85Å; K598-V604 HydrophobicContact CB-CG2 3.72Å
599	I	95.3	Very high	91.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-56.4	172.5	-70.2	-65.4	0	0	0	109	F393 F436 A439 E440 V443 I594 D595 D597 L601 R602 V604	F393-I599 HydrophobicContact CE2-CG2 4.08Å; F393-I599 HydrophobicContact CZ-CG2 4.01Å; F393-I599 WeakPolarHBondContact CZ-O 3.48Å; F436-I599 HydrophobicContact CD2-CD1 3.98Å; F436-I599 HydrophobicContact CE2-CD1 4.03Å; A439-I599 HydrophobicContact CB-CG1 4.31Å; A439-I599 HydrophobicContact CB-CG2 4.2Å; E440-I599 HydrophobicContact CG-CG2 3.93Å; V443-I599 HydrophobicContact CG2-CG2 4.17Å; I594-I599 HydrophobicContact CD1-CD1 4.29Å; I594-I599 HydrophobicContact CD1-CG1 4.38Å; I594-I599 HydrophobicContact CG2-CG1 3.73Å; D595-I599 WeakPolarHBondContact O-CG1 3.34Å; D595-I599 PolarHBondContact O-N 2.93Å; D597-I599 VanDerWaalsContact C-N 3.32Å; D597-I599 PolarHBondContact O-N 2.87Å; I599-L601 PolarHBondContact O-N 3.02Å; I599-R602 PolarHBondContact O-N 2.84Å; I599-V604 HydrophobicContact CD1-CB 4Å; I599-V604 HydrophobicContact CD1-CG1 4.42Å; I599-V604 HydrophobicContact CD1-CG2 3.82Å; I599-V604 HydrophobicContact CG1-CG2 4.3Å
600	A	95	Very high	91.9	Very high	31 Å²	31	36.5 Å²	36.5	26%	0.256	18%	0.177	S	C	.	.	H	α-helix	trans	-55.2	-28.3	-179	0	0	0	0	0	114	V443 W596 D597	V443-A600 HydrophobicContact CG1-CB 4.3Å; W596-A600 WeakPolarHBondContact O-CB 3.32Å; W596-A600 PolarHBondContact O-N 3.16Å; D597-A600 PolarHBondContact O-N 3.33Å
601	L	92.8	Very high	91.4	Very high	77 Å²	77	41 Å²	41	40%	0.403	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	7	179.1	-62.6	173.8	0	0	0	114.8	I309 D597 K598 I599 L603	I309-L601 HydrophobicContact CD1-CD1 3.59Å; I309-L601 HydrophobicContact CD1-CD2 3.51Å; I309-L601 HydrophobicContact CD1-CG 4.2Å; D597-L601 WeakPolarHBondContact O-CB 3.29Å; D597-L601 VanDerWaalsContact O-CG 3.24Å; D597-L601 WeakPolarHBondContact O-CG 3.46Å; D597-L601 PolarHBondContact O-N 3.39Å; K598-L601 CarbonylContact O-C 3.5Å; K598-L601 PolarHBondContact O-N 3.24Å; I599-L601 PolarHBondContact O-N 3.02Å; L601-L603 HydrophobicContact CB-CD1 3.95Å; L601-L603 HydrophobicContact CB-CG 3.79Å; L601-L603 HydrophobicContact CD1-CD1 4.13Å; L601-L603 PolarHBondContact O-N 3.2Å
602	R	93.6	Very high	90.8	Very high	61 Å²	61	43 Å²	43	23%	0.23	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	36.7	-177.1	-65	171.6	56.2	139.4	0.9	113.4	P392 F393 D466 D468 H470 K598 I599	P392-R602 HydrophobicContact CB-CG 4.3Å; P392-R602 HydrophobicContact CG-CG 3.76Å; F393-R602 HydrophobicContact CE1-CG 4.03Å; F393-R602 HydrophobicContact CZ-CG 4.33Å; D466-R602 IonicContact OD1-NH2 3.6Å; D466-R602 IonicContact OD2-CZ 3.76Å; D466-R602 IonicContact OD2-NH1 2.7Å; D466-R602 PolarHBondContact OD2-NH1 2.97Å; D466-R602 IonicContact OD2-NH2 3.66Å; D466-R602 PolarHBondContact OD2-NH2 3.37Å; D468-R602 IonicContact OD2-NH2 2.88Å; H470-R602 PolarHBondContact CD2-NH2 3.01Å; K598-R602 PolarHBondContact O-N 3.46Å; K598-R602 VanDerWaalsContact O-N 3.14Å; I599-R602 PolarHBondContact O-N 2.84Å
603	L	90.1	Very high	90.5	Very high	36 Å²	36	46.1 Å²	46.1	19%	0.188	24%	0.238	C	C	.	.			trans	-93.1	-4.4	179.3	-63.1	-179.7	0	0	0	113.2	K263 F305 K598 L601	K263-L603 HydrophobicContact CD-CD2 4.49Å; F305-L603 HydrophobicContact CE1-CD1 4.42Å; K598-L603 HydrophobicContact CB-CB 3.96Å; K598-L603 HydrophobicContact CG-CB 4.1Å; K598-L603 HydrophobicContact CG-CD1 4.33Å; K598-L603 PolarHBondContact O-N 2.85Å; L601-L603 HydrophobicContact CB-CD1 3.95Å; L601-L603 HydrophobicContact CB-CG 3.79Å; L601-L603 HydrophobicContact CD1-CD1 4.13Å; L601-L603 PolarHBondContact O-N 3.2Å
604	V	90.9	Very high	90.4	Very high	34 Å²	34	46.5 Å²	46.5	21%	0.206	25%	0.248	C	C	.	.	S	Bend	trans	-98.7	128.5	174.5	-176.2	0	0	0	0	108.4	F436 H470 K598 I599 P606	F436-V604 HydrophobicContact CD2-CG1 4.05Å; F436-V604 HydrophobicContact CE2-CB 4.06Å; F436-V604 HydrophobicContact CE2-CG1 3.87Å; H470-V604 PolarHBondContact CE1-O 2.98Å; K598-V604 HydrophobicContact CB-CG2 3.72Å; I599-V604 HydrophobicContact CD1-CB 4Å; I599-V604 HydrophobicContact CD1-CG1 4.42Å; I599-V604 HydrophobicContact CD1-CG2 3.82Å; I599-V604 HydrophobicContact CG1-CG2 4.3Å; V604-P606 WeakPolarHBondContact O-CD 3.33Å
605	Q	91.2	Very high	90	Very high	13 Å²	13	50.3 Å²	50.3	6%	0.061	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-66.9	129.2	179.7	-170.2	-175.9	35.4	0	0	110.5	E231 S232 K233 R234 E260	E231-Q605 PolarHBondContact O-NE2 2.93Å; S232-Q605 PolarHBondContact O-NE2 3.29Å; K233-Q605 PolarHBondContact O-NE2 2.86Å; K233-Q605 PolarHBondContact O-OE1 3.16Å; K233-Q605 VanDerWaalsContact O-OE1 3.08Å; R234-Q605 VanDerWaalsContact CG-OE1 3.26Å; E260-Q605 HydrophobicContact CG-CB 4.33Å; E260-Q605 WeakPolarHBondContact OE1-CB 3.12Å; E260-Q605 PolarHBondContact OE1-N 3.03Å
606	P	93.5	Very high	89.9	Confident	15 Å²	15	54.1 Å²	54.1	10%	0.097	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-57.2	144.6	176	-29	37.8	0	0	0	113.1	F436 D468 H470 V604 Y608	F436-P606 HydrophobicContact CE1-CB 4.16Å; F436-P606 HydrophobicContact CZ-CB 4.03Å; F436-P606 HydrophobicContact CZ-CG 4.01Å; D468-P606 WeakPolarHBondContact O-CB 3.33Å; D468-P606 WeakPolarHBondContact O-CG 3.34Å; H470-P606 VanDerWaalsContact CE1-CG 3.47Å; H470-P606 WeakPolarHBondContact CE1-CG 3.37Å; H470-P606 VanDerWaalsContact NE2-CG 3.33Å; H470-P606 WeakPolarHBondContact NE2-CG 3.27Å; V604-P606 WeakPolarHBondContact O-CD 3.33Å; P606-Y608 PolarHBondContact O-N 2.81Å
607	P	91.9	Very high	89.6	Confident	38 Å²	38	53.7 Å²	53.7	25%	0.247	29%	0.287	C	S	.	.	S	Bend	trans	-69.6	-18.6	178.1	28.2	-34.4	0	0	0	113.1	Y280 I433 F436 Y437	Y280-P607 HydrophobicContact CD1-CB 4.35Å; Y280-P607 HydrophobicContact CE1-CB 4.18Å; I433-P607 HydrophobicContact CB-CB 4.43Å; I433-P607 HydrophobicContact CB-CG 4.37Å; I433-P607 HydrophobicContact CD1-CB 4.5Å; I433-P607 HydrophobicContact CG1-CB 3.88Å; I433-P607 HydrophobicContact CG1-CG 4.36Å; I433-P607 HydrophobicContact CG2-CB 4.29Å; I433-P607 HydrophobicContact CG2-CG 3.89Å; F436-P607 HydrophobicContact CB-CG 4.4Å; F436-P607 HydrophobicContact CD1-CG 3.9Å; F436-P607 HydrophobicContact CE1-CG 4.49Å; F436-P607 HydrophobicContact CG-CG 4.22Å; Y437-P607 HydrophobicContact CE2-CG 4.13Å
608	Y	90.3	Very high	89.3	Confident	46 Å²	46	50.2 Å²	50.2	18%	0.18	27%	0.269	C	S	.	.			trans	-139.5	126.8	179.8	171.2	-108.9	0	0	0	109.5	R422 L465 G469 P606 P610	R422-Y608 VanDerWaalsContact CZ-CE1 3.48Å; R422-Y608 PolarHBondContact NH1-OH 3.36Å; L465-Y608 HydrophobicContact CD1-CD1 4.02Å; L465-Y608 HydrophobicContact CD1-CE1 4.31Å; G469-Y608 WeakPolarHBondContact CA-O 3.44Å; P606-Y608 PolarHBondContact O-N 2.81Å; Y608-P610 HydrophobicContact CD1-CG 4.22Å; Y608-P610 HydrophobicContact CE1-CB 4.1Å; Y608-P610 HydrophobicContact CE1-CG 3.76Å; Y608-P610 WeakPolarHBondContact OH-CA 3.09Å
609	K	90	Very high	89.1	Confident	84 Å²	84	50.9 Å²	50.9	37%	0.365	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-100.4	120.3	168.6	-172.6	172.7	-174.7	164.2	0	109.7
610	P	90	Very high	88.7	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.026	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-58.1	138.1	174.7	-26.4	36.7	0	0	0	112.6	L465 D466 Y608 T612	L465-P610 HydrophobicContact CB-CG 4.15Å; L465-P610 HydrophobicContact CD1-CG 4.44Å; D466-P610 WeakPolarHBondContact O-CG 3.46Å; Y608-P610 HydrophobicContact CD1-CG 4.22Å; Y608-P610 HydrophobicContact CE1-CB 4.1Å; Y608-P610 HydrophobicContact CE1-CG 3.76Å; Y608-P610 WeakPolarHBondContact OH-CA 3.09Å; P610-T612 PolarHBondContact O-N 3.26Å
611	V	85.5	Confident	88.3	Confident	95 Å²	95	51.9 Å²	51.9	58%	0.576	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-78.2	120	172.1	-179.4	0	0	0	0	107.2	N620	V611-N620 PolarHBondContact O-ND2 3.43Å
612	T	82.2	Confident	87.9	Confident	47 Å²	47	52.5 Å²	52.5	29%	0.288	28%	0.283	S	S	.	.			trans	-129	117.3	176.3	53.7	0	0	0	0	108.3	P610 S614	P610-T612 PolarHBondContact O-N 3.26Å; T612-S614 VanDerWaalsContact C-N 3.35Å
613	L	83.1	Confident	87.4	Confident	146 Å²	146	50.8 Å²	50.8	76%	0.764	29%	0.285	S	S	*	.	S	Bend	trans	-78.8	-22.6	-176.1	-63.5	175.5	0	0	0	112.8	D617	L613-D617 PolarHBondContact N-OD2 3.44Å
614	S	85.4	Confident	87.3	Confident	55 Å²	55	55.6 Å²	55.6	39%	0.385	31%	0.306	S	S	.	.	S	Bend	trans	-161.2	164.6	179.1	70.3	0	0	0	0	109.8	T612 R616 D617	T612-S614 VanDerWaalsContact C-N 3.35Å; S614-R616 PolarHBondContact O-N 2.87Å; S614-R616 VanDerWaalsContact O-N 3.1Å; S614-R616 PolarHBondContact OG-N 3.23Å; S614-D617 WeakPolarHBondContact O-CB 3.16Å; S614-D617 PolarHBondContact O-N 2.89Å; S614-D617 PolarHBondContact OG-N 3.31Å
615	P	82.7	Confident	87.2	Confident	97 Å²	97	56.7 Å²	56.7	63%	0.63	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.4	173.7	-27.3	35.9	0	0	0	113.8	L358 F413	L358-P615 VanDerWaalsContact CD1-C 3.46Å; L358-P615 HydrophobicContact CD1-CB 3.79Å; L358-P615 WeakPolarHBondContact CD1-O 3.4Å; F413-P615 WeakPolarHBondContact CE1-O 3.48Å
616	R	86.8	Confident	87	Confident	97 Å²	97	57.1 Å²	57.1	37%	0.366	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	5.8	178.4	-59.6	178.1	-172	-179	-0.1	113.2	E351 D356 L358 S614 T618	E351-R616 IonicContact OE1-CZ 3.06Å; E351-R616 IonicContact OE1-NH2 2.81Å; E351-R616 PolarHBondContact OE1-NH2 2.8Å; E351-R616 IonicContact OE2-CZ 3.33Å; E351-R616 IonicContact OE2-NH1 3.63Å; E351-R616 IonicContact OE2-NH2 3.38Å; E351-R616 PolarHBondContact OE2-NH2 2.92Å; D356-R616 IonicContact OD1-NH2 3.89Å; L358-R616 HydrophobicContact CD1-CG 3.69Å; L358-R616 HydrophobicContact CD2-CG 4.01Å; L358-R616 HydrophobicContact CG-CG 4.49Å; S614-R616 PolarHBondContact O-N 2.87Å; S614-R616 VanDerWaalsContact O-N 3.1Å; S614-R616 PolarHBondContact OG-N 3.23Å; R616-T618 PolarHBondContact O-N 3.38Å
617	D	87.3	Confident	86.8	Confident	18 Å²	18	64.9 Å²	64.9	10%	0.096	34%	0.344	C	S	.	.			trans	-63.6	133	-177.1	-168.6	9.1	0	0	0	110.3	L613 S614 S619	L613-D617 PolarHBondContact N-OD2 3.44Å; S614-D617 WeakPolarHBondContact O-CB 3.16Å; S614-D617 PolarHBondContact O-N 2.89Å; S614-D617 PolarHBondContact OG-N 3.31Å; D617-S619 VanDerWaalsContact CG-OG 3.23Å; D617-S619 WeakPolarHBondContact OD1-CB 3.43Å; D617-S619 PolarHBondContact OD1-N 3.29Å; D617-S619 PolarHBondContact OD1-OG 2.91Å; D617-S619 PolarHBondContact OD2-OG 3.26Å
618	T	86.6	Confident	86.7	Confident	7 Å²	7	66.3 Å²	66.3	4%	0.043	35%	0.352	C	S	.	.			trans	-126.4	14.8	-178.3	39.8	0	0	0	0	110.9	K337 L339 L349 F413 R616 N620 F621	K337-T618 HydrophobicContact CD-CG2 3.96Å; K337-T618 VanDerWaalsContact CD-OG1 3.27Å; K337-T618 WeakPolarHBondContact CD-OG1 3.36Å; K337-T618 WeakPolarHBondContact CE-OG1 3.45Å; K337-T618 PolarHBondContact NZ-OG1 3.29Å; L339-T618 HydrophobicContact CD2-CG2 3.62Å; L349-T618 HydrophobicContact CD2-CG2 4.13Å; F413-T618 HydrophobicContact CZ-CG2 4.27Å; R616-T618 PolarHBondContact O-N 3.38Å; T618-N620 PolarHBondContact O-N 3.4Å; T618-F621 HydrophobicContact CG2-CD2 4.14Å; T618-F621 HydrophobicContact CG2-CE2 4.38Å; T618-F621 WeakPolarHBondContact O-CB 3.11Å; T618-F621 PolarHBondContact O-N 3.15Å
619	S	87.2	Confident	86.5	Confident	67 Å²	67	68.3 Å²	68.3	47%	0.469	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.3	179.8	62.7	0	0	0	0	114	D617 F621	D617-S619 VanDerWaalsContact CG-OG 3.23Å; D617-S619 WeakPolarHBondContact OD1-CB 3.43Å; D617-S619 PolarHBondContact OD1-N 3.29Å; D617-S619 PolarHBondContact OD1-OG 2.91Å; D617-S619 PolarHBondContact OD2-OG 3.26Å; S619-F621 VanDerWaalsContact C-N 3.34Å
620	N	86.7	Confident	86.3	Confident	14 Å²	14	66.3 Å²	66.3	8%	0.075	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-0	175.3	-60.1	-48.7	0	0	0	113.6	N415 G417 V611 T618	N415-N620 PolarHBondContact O-ND2 3.21Å; N415-N620 VanDerWaalsContact O-ND2 3.13Å; G417-N620 WeakPolarHBondContact CA-O 3.45Å; V611-N620 PolarHBondContact O-ND2 3.43Å; T618-N620 PolarHBondContact O-N 3.4Å
621	F	86	Confident	86.1	Confident	39 Å²	39	72.5 Å²	72.5	17%	0.171	39%	0.393	C	S	.	.	S	Bend	trans	-102.4	160.8	176.1	-65	-99.8	0	0	0	110.7	L339 F413 V414 T618 S619 G623 T626	L339-F621 HydrophobicContact CB-CD1 4.06Å; L339-F621 HydrophobicContact CB-CE1 4.04Å; L339-F621 HydrophobicContact CD1-CE1 4.26Å; L339-F621 HydrophobicContact CD1-CZ 4.41Å; L339-F621 HydrophobicContact CD2-CD1 3.94Å; L339-F621 HydrophobicContact CD2-CD2 4.24Å; L339-F621 HydrophobicContact CD2-CE1 3.89Å; L339-F621 HydrophobicContact CD2-CE2 4.17Å; L339-F621 HydrophobicContact CD2-CG 4.11Å; L339-F621 HydrophobicContact CD2-CZ 3.99Å; L339-F621 HydrophobicContact CG-CE1 4.28Å; F413-F621 HydrophobicContact CD2-CZ 4.46Å; F413-F621 HydrophobicContact CE2-CE1 4.48Å; F413-F621 AromaticContact CE2-CE2 3.78Å; F413-F621 HydrophobicContact CE2-CE2 3.78Å; F413-F621 AromaticContact CE2-CZ 3.49Å; F413-F621 HydrophobicContact CE2-CZ 3.49Å; F413-F621 VanDerWaalsContact CE2-CZ 3.49Å; F413-F621 AromaticContact CZ-CE2 3.84Å; F413-F621 HydrophobicContact CZ-CE2 3.84Å; F413-F621 HydrophobicContact CZ-CZ 4.04Å; V414-F621 VanDerWaalsContact O-CZ 3.25Å; V414-F621 WeakPolarHBondContact O-CZ 3.06Å; T618-F621 HydrophobicContact CG2-CD2 4.14Å; T618-F621 HydrophobicContact CG2-CE2 4.38Å; T618-F621 WeakPolarHBondContact O-CB 3.11Å; T618-F621 PolarHBondContact O-N 3.15Å; S619-F621 VanDerWaalsContact C-N 3.34Å; F621-G623 PolarHBondContact O-N 2.88Å; F621-T626 HydrophobicContact CB-CG2 3.75Å
622	D	84	Confident	86.1	Confident	89 Å²	89	71.3 Å²	71.3	48%	0.476	38%	0.383	S	S	.	.			trans	-58.6	129.1	176.9	-162.1	-26.9	0	0	0	111.5	E624 F625 T626	D622-E624 PolarHBondContact O-N 3.33Å; D622-E624 WeakPolarHBondContact OD1-CB 3.41Å; D622-E624 PolarHBondContact OD1-N 2.88Å; D622-F625 HydrophobicContact CB-CD2 3.64Å; D622-F625 HydrophobicContact CB-CE2 3.88Å; D622-F625 PolarHBondContact O-N 3.39Å; D622-T626 WeakPolarHBondContact O-CG2 3.48Å; D622-T626 PolarHBondContact O-N 2.87Å; D622-T626 VanDerWaalsContact O-N 3.14Å; D622-T626 PolarHBondContact O-OG1 3.06Å; D622-T626 VanDerWaalsContact O-OG1 3.08Å
623	G	85	Confident	86.2	Confident	26 Å²	26	71.4 Å²	71.4	27%	0.268	39%	0.386	S	S	.	.	H	α-helix	trans	-61.5	-24.8	173.3	0	0	0	0	0	113.1	F621 T626 K627	F621-G623 PolarHBondContact O-N 2.88Å; G623-T626 WeakPolarHBondContact CA-OG1 3.2Å; G623-K627 WeakPolarHBondContact O-CB 3.48Å; G623-K627 WeakPolarHBondContact O-CD 3.48Å; G623-K627 WeakPolarHBondContact O-CG 3.27Å; G623-K627 PolarHBondContact O-N 2.71Å
624	E	87.5	Confident	86.3	Confident	137 Å²	137	70 Å²	70	64%	0.64	39%	0.385	S	S	*	.	H	α-helix	trans	-61.6	-46.1	175.1	-173	178.2	157.3	0	0	111	D622 V628	D622-E624 PolarHBondContact O-N 3.33Å; D622-E624 WeakPolarHBondContact OD1-CB 3.41Å; D622-E624 PolarHBondContact OD1-N 2.88Å; E624-V628 WeakPolarHBondContact O-CG2 3.44Å
625	F	87.8	Confident	86.3	Confident	57 Å²	57	68.6 Å²	68.6	25%	0.25	37%	0.374	C	S	.	.	H	α-helix	trans	-80	-45.4	-178.2	-53.7	-51.7	0	0	0	112.2	V338 K341 D622 K627 V628	V338-F625 HydrophobicContact CG1-CB 4.34Å; V338-F625 CarbonylContact O-C 3.54Å; K341-F625 HydrophobicContact CB-CD1 4.44Å; K341-F625 HydrophobicContact CB-CE1 4.26Å; D622-F625 HydrophobicContact CB-CD2 3.64Å; D622-F625 HydrophobicContact CB-CE2 3.88Å; D622-F625 PolarHBondContact O-N 3.39Å; F625-K627 PolarHBondContact O-N 2.72Å; F625-K627 VanDerWaalsContact O-N 3.1Å; F625-V628 WeakPolarHBondContact O-CB 3.47Å; F625-V628 PolarHBondContact O-N 3.07Å
626	T	87.8	Confident	86.3	Confident	22 Å²	22	67.5 Å²	67.5	14%	0.135	36%	0.363	C	S	.	.	H	α-helix	trans	-67.4	-15.4	-173.4	56.8	0	0	0	0	114.3	V338 F621 D622 G623	V338-T626 VanDerWaalsContact O-CA 3.3Å; V338-T626 WeakPolarHBondContact O-CA 3.45Å; V338-T626 PolarHBondContact O-N 3.06Å; F621-T626 HydrophobicContact CB-CG2 3.75Å; D622-T626 WeakPolarHBondContact O-CG2 3.48Å; D622-T626 PolarHBondContact O-N 2.87Å; D622-T626 VanDerWaalsContact O-N 3.14Å; D622-T626 PolarHBondContact O-OG1 3.06Å; D622-T626 VanDerWaalsContact O-OG1 3.08Å; G623-T626 WeakPolarHBondContact CA-OG1 3.2Å
627	K	89.8	Confident	86.1	Confident	178 Å²	178	70.6 Å²	70.6	77%	0.774	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-14	172.9	-70.1	172.8	-166.8	167	0	113.6	G623 F625	G623-K627 WeakPolarHBondContact O-CB 3.48Å; G623-K627 WeakPolarHBondContact O-CD 3.48Å; G623-K627 WeakPolarHBondContact O-CG 3.27Å; G623-K627 PolarHBondContact O-N 2.71Å; F625-K627 PolarHBondContact O-N 2.72Å; F625-K627 VanDerWaalsContact O-N 3.1Å
628	V	88.5	Confident	85.8	Confident	67 Å²	67	76.1 Å²	76.1	41%	0.406	41%	0.408	S	S	.	.	S	Bend	trans	-73.4	134.8	177.9	-179.3	0	0	0	0	109.6	V338 E624 F625	V338-V628 HydrophobicContact CB-CB 4.44Å; V338-V628 HydrophobicContact CG2-CB 4.21Å; V338-V628 HydrophobicContact CG2-CG1 4.23Å; E624-V628 WeakPolarHBondContact O-CG2 3.44Å; F625-V628 WeakPolarHBondContact O-CB 3.47Å; F625-V628 PolarHBondContact O-N 3.07Å
629	T	86.2	Confident	85.5	Confident	88 Å²	88	79.1 Å²	79.1	54%	0.54	42%	0.421	S	S	.	.			trans	-55.7	131.7	173.6	-43.8	0	0	0	0	110	E631	T629-E631 HydrophobicContact CG2-CG 3.9Å; T629-E631 PolarHBondContact O-N 3.07Å
630	P	85.3	Confident	85.1	Confident	42 Å²	42	76.5 Å²	76.5	27%	0.273	40%	0.402	S	S	.	.			trans	-74.4	60.9	-179.5	34.1	-39.8	0	0	0	111.8	F335 I336 M348	F335-P630 HydrophobicContact CB-CB 4.27Å; I336-P630 WeakPolarHBondContact O-CG 3.39Å; M348-P630 HydrophobicContact SD-CB 4.08Å
631	E	87	Confident	84.6	Confident	134 Å²	134	83.1 Å²	83.1	63%	0.626	43%	0.434	S	S	*	.			trans	-105.8	141.6	176.3	-73.7	179.1	-168.3	0	0	111.3	K346 T629 S633	K346-E631 PolarHBondContact NZ-O 2.98Å; T629-E631 HydrophobicContact CG2-CG 3.9Å; T629-E631 PolarHBondContact O-N 3.07Å; E631-S633 PolarHBondContact O-N 2.98Å
632	L	85.4	Confident	84.3	Confident	71 Å²	71	88 Å²	88	37%	0.372	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-70.6	122.8	174.2	-62.2	178.6	0	0	0	109.8	M348 I363	M348-L632 HydrophobicContact CE-CD2 3.55Å; I363-L632 HydrophobicContact CD1-CD2 3.79Å; I363-L632 HydrophobicContact CG2-CD2 4.14Å
633	S	84.7	Confident	84	Confident	49 Å²	49	85.1 Å²	85.1	34%	0.343	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-63	138.4	175.1	-58.6	0	0	0	0	110.7	K346 R406 E631	K346-S633 VanDerWaalsContact CE-OG 3.23Å; K346-S633 WeakPolarHBondContact CE-OG 3.5Å; K346-S633 PolarHBondContact NZ-OG 2.91Å; R406-S633 PolarHBondContact NH1-O 3.22Å; R406-S633 PolarHBondContact NH2-O 2.95Å; E631-S633 PolarHBondContact O-N 2.98Å
634	P	84.3	Confident	83.6	Confident	115 Å²	115	88.6 Å²	88.6	75%	0.747	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-60.2	146.1	-177.2	24.3	-33.5	0	0	0	112.6	K365	K365-P634 WeakPolarHBondContact CE-O 3.4Å; K365-P634 PolarHBondContact NZ-O 3.43Å; K365-P634 VanDerWaalsContact NZ-O 3.11Å
635	T	85.2	Confident	83	Confident	26 Å²	26	84.4 Å²	84.4	16%	0.16	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-100.5	153.4	175.1	44.3	0	0	0	0	110.4	K365 D405 K637	K365-T635 HydrophobicContact CD-CG2 4.3Å; K365-T635 VanDerWaalsContact CE-CG2 3.42Å; K365-T635 HydrophobicContact CG-CG2 4.04Å; D405-T635 HydrophobicContact CB-CG2 4.09Å; D405-T635 PolarHBondContact OD2-OG1 3.39Å; T635-K637 PolarHBondContact O-N 3.04Å; T635-K637 VanDerWaalsContact O-N 3.08Å
636	D	84	Confident	82.9	Confident	74 Å²	74	86.4 Å²	86.4	40%	0.396	46%	0.46	S	S	.	.			trans	-71.6	101.7	170.2	-174	-21.9	0	0	0	109.6	D367 L638 F639 V640	D367-D636 PolarHBondContact OD2-N 3.39Å; D636-L638 VanDerWaalsContact C-N 3.28Å; D636-L638 PolarHBondContact O-N 3.35Å; D636-L638 WeakPolarHBondContact OD1-CB 3Å; D636-L638 PolarHBondContact OD1-N 2.77Å; D636-F639 HydrophobicContact CB-CB 3.86Å; D636-F639 PolarHBondContact O-N 3.22Å; D636-F639 PolarHBondContact OD1-N 3.41Å; D636-F639 VanDerWaalsContact OD1-N 3.17Å; D636-V640 WeakPolarHBondContact O-CB 3.34Å; D636-V640 VanDerWaalsContact O-CG2 3.24Å; D636-V640 WeakPolarHBondContact O-CG2 3.34Å; D636-V640 PolarHBondContact O-N 2.85Å
637	K	82.4	Confident	82.7	Confident	163 Å²	163	88.5 Å²	88.5	71%	0.709	47%	0.468	S	S	*	.	H	α-helix	trans	-61.5	-35.4	-177.9	-64.5	-176.4	-179.9	179.5	0	112.7	T635 M641	T635-K637 PolarHBondContact O-N 3.04Å; T635-K637 VanDerWaalsContact O-N 3.08Å; K637-M641 VanDerWaalsContact O-CG 3.24Å; K637-M641 WeakPolarHBondContact O-CG 3.31Å; K637-M641 PolarHBondContact O-N 3.17Å; K637-M641 VanDerWaalsContact O-N 3.09Å
638	L	80.4	Confident	82.8	Confident	133 Å²	133	80 Å²	80	70%	0.696	43%	0.432	S	S	*	.	H	α-helix	trans	-70	-41.1	-179.2	-69.6	173.1	0	0	0	110.4	D636 N642	D636-L638 VanDerWaalsContact C-N 3.28Å; D636-L638 PolarHBondContact O-N 3.35Å; D636-L638 WeakPolarHBondContact OD1-CB 3Å; D636-L638 PolarHBondContact OD1-N 2.77Å; L638-N642 PolarHBondContact O-ND2 2.83Å; L638-N642 VanDerWaalsContact O-ND2 3.13Å
639	F	80.5	Confident	82.8	Confident	70 Å²	70	81.3 Å²	81.3	31%	0.307	44%	0.443	S	S	.	.	H	α-helix	trans	-63.8	-49	174.8	-166.5	-91.6	0	0	0	111.1	D367 L370 Q371 D636 M641 N642 L643	D367-F639 HydrophobicContact CB-CB 4.44Å; D367-F639 HydrophobicContact CB-CD1 3.6Å; D367-F639 HydrophobicContact CB-CE1 4.2Å; D367-F639 HydrophobicContact CB-CG 4.28Å; L370-F639 HydrophobicContact CB-CE1 3.99Å; L370-F639 HydrophobicContact CB-CZ 4.2Å; L370-F639 HydrophobicContact CD1-CE1 4.12Å; Q371-F639 HydrophobicContact CG-CE2 4.27Å; Q371-F639 HydrophobicContact CG-CZ 4.12Å; D636-F639 HydrophobicContact CB-CB 3.86Å; D636-F639 PolarHBondContact O-N 3.22Å; D636-F639 PolarHBondContact OD1-N 3.41Å; D636-F639 VanDerWaalsContact OD1-N 3.17Å; F639-M641 VanDerWaalsContact C-N 3.3Å; F639-M641 PolarHBondContact O-N 3.15Å; F639-N642 PolarHBondContact O-N 3.27Å; F639-N642 VanDerWaalsContact O-N 3.08Å; F639-L643 HydrophobicContact CD1-CD2 3.95Å; F639-L643 HydrophobicContact CE1-CD2 3.66Å; F639-L643 HydrophobicContact CZ-CD2 4.47Å
640	V	78.4	Confident	83	Confident	13 Å²	13	79.6 Å²	79.6	8%	0.079	44%	0.444	C	S	.	.	H	α-helix	trans	-58.9	-37.7	-179	170.6	0	0	0	0	112.8	D367 M404 D405 D636 N642 L643	D367-V640 HydrophobicContact CB-CG2 4.41Å; M404-V640 HydrophobicContact CB-CG1 4.47Å; M404-V640 WeakPolarHBondContact O-CG1 3.39Å; D405-V640 HydrophobicContact CB-CG1 3.82Å; D405-V640 HydrophobicContact CB-CG2 3.9Å; D636-V640 WeakPolarHBondContact O-CB 3.34Å; D636-V640 VanDerWaalsContact O-CG2 3.24Å; D636-V640 WeakPolarHBondContact O-CG2 3.34Å; D636-V640 PolarHBondContact O-N 2.85Å; V640-N642 PolarHBondContact O-N 3.06Å; V640-L643 HydrophobicContact CB-CD1 4.46Å; V640-L643 HydrophobicContact CG2-CD1 4.43Å; V640-L643 WeakPolarHBondContact O-CB 3.09Å; V640-L643 WeakPolarHBondContact O-CG 3.28Å; V640-L643 PolarHBondContact O-N 2.85Å
641	M	77.1	Confident	83.3	Confident	153 Å²	153	77.6 Å²	77.6	75%	0.754	43%	0.431	S	S	*	.	H	α-helix	trans	-67.8	-22.6	179.3	-74.6	179	79.9	0	0	113.7	K637 F639	K637-M641 VanDerWaalsContact O-CG 3.24Å; K637-M641 WeakPolarHBondContact O-CG 3.31Å; K637-M641 PolarHBondContact O-N 3.17Å; K637-M641 VanDerWaalsContact O-N 3.09Å; F639-M641 VanDerWaalsContact C-N 3.3Å; F639-M641 PolarHBondContact O-N 3.15Å
642	N	79.1	Confident	83.5	Confident	140 Å²	140	74.5 Å²	74.5	75%	0.749	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	3.7	179.3	-68.7	-41.4	0	0	0	113.2	L638 F639 V640	L638-N642 PolarHBondContact O-ND2 2.83Å; L638-N642 VanDerWaalsContact O-ND2 3.13Å; F639-N642 PolarHBondContact O-N 3.27Å; F639-N642 VanDerWaalsContact O-N 3.08Å; V640-N642 PolarHBondContact O-N 3.06Å
643	L	77.5	Confident	83.8	Confident	29 Å²	29	73.8 Å²	73.8	15%	0.152	42%	0.418	C	S	.	.			trans	-72.2	131.5	178.8	-64.4	-178.3	0	0	0	111.4	K366 L370 F639 V640 Q645	K366-L643 HydrophobicContact CB-CD1 4.07Å; K366-L643 HydrophobicContact CD-CD1 4.46Å; L370-L643 HydrophobicContact CD1-CD1 4Å; L370-L643 HydrophobicContact CD1-CD2 3.2Å; L370-L643 HydrophobicContact CD1-CG 4.21Å; F639-L643 HydrophobicContact CD1-CD2 3.95Å; F639-L643 HydrophobicContact CE1-CD2 3.66Å; F639-L643 HydrophobicContact CZ-CD2 4.47Å; V640-L643 HydrophobicContact CB-CD1 4.46Å; V640-L643 HydrophobicContact CG2-CD1 4.43Å; V640-L643 WeakPolarHBondContact O-CB 3.09Å; V640-L643 WeakPolarHBondContact O-CG 3.28Å; V640-L643 PolarHBondContact O-N 2.85Å; L643-Q645 HydrophobicContact CB-CG 4.45Å; L643-Q645 PolarHBondContact O-N 3.32Å
644	T	75.9	Confident	83.9	Confident	100 Å²	100	74 Å²	74	61%	0.613	42%	0.417	S	S	*	.			trans	-67.5	-15.9	173	22.6	0	0	0	0	113.1	T646 E647	T644-T646 PolarHBondContact O-N 3.34Å; T644-E647 WeakPolarHBondContact CB-OE1 3.31Å; T644-E647 PolarHBondContact OG1-OE1 3.47Å; T644-E647 PolarHBondContact OG1-OE2 3.42Å
645	Q	76.1	Confident	84	Confident	49 Å²	49	69 Å²	69	23%	0.229	38%	0.384	C	S	.	.	S	Bend	trans	60.4	2.8	177.7	-58.8	-68.5	-27.7	0	0	114.7	M404 L643 E647	M404-Q645 HydrophobicContact CE-CG 4.23Å; M404-Q645 PolarHBondContact O-NE2 2.85Å; L643-Q645 HydrophobicContact CB-CG 4.45Å; L643-Q645 PolarHBondContact O-N 3.32Å; Q645-E647 PolarHBondContact N-OE2 2.87Å
646	T	84.5	Confident	83.8	Confident	98 Å²	98	71.2 Å²	71.2	60%	0.601	40%	0.399	S	S	*	.			trans	-84.8	-21.8	-178.6	43.4	0	0	0	0	112.9	T644 F648 S649	T644-T646 PolarHBondContact O-N 3.34Å; T646-F648 PolarHBondContact O-N 2.94Å; T646-S649 VanDerWaalsContact O-CB 3.3Å; T646-S649 WeakPolarHBondContact O-CB 3.44Å; T646-S649 PolarHBondContact O-N 3.42Å; T646-S649 VanDerWaalsContact O-N 3.15Å
647	E	85.3	Confident	83.6	Confident	66 Å²	66	71.4 Å²	71.4	31%	0.308	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.4	-175.3	-62.2	69.4	-145.8	0	0	112	L370 V375 T644 Q645	L370-E647 HydrophobicContact CD2-CB 4.27Å; L370-E647 HydrophobicContact CD2-CG 4Å; V375-E647 HydrophobicContact CG1-CB 4.31Å; T644-E647 WeakPolarHBondContact CB-OE1 3.31Å; T644-E647 PolarHBondContact OG1-OE1 3.47Å; T644-E647 PolarHBondContact OG1-OE2 3.42Å; Q645-E647 PolarHBondContact N-OE2 2.87Å
648	F	90.3	Very high	83.3	Confident	1 Å²	1	65.5 Å²	65.5	0%	0.004	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	26.9	179.9	-54.6	-71.6	0	0	0	112.5	K366 V369 L370 V375 Q402 L407 T646 G650 F651	K366-F648 HydrophobicContact CB-CE2 4.14Å; K366-F648 HydrophobicContact CD-CD2 4.04Å; K366-F648 HydrophobicContact CD-CE2 4.03Å; K366-F648 HydrophobicContact CG-CD2 4.16Å; K366-F648 HydrophobicContact CG-CE2 3.74Å; K366-F648 HydrophobicContact CG-CZ 4.32Å; V369-F648 HydrophobicContact CB-CZ 4.35Å; V369-F648 HydrophobicContact CG1-CE1 3.93Å; V369-F648 HydrophobicContact CG1-CZ 3.9Å; L370-F648 HydrophobicContact CD1-CE2 4.1Å; L370-F648 HydrophobicContact CD2-CE2 4.38Å; L370-F648 HydrophobicContact CD2-CZ 4.32Å; L370-F648 HydrophobicContact CG-CE2 4.15Å; L370-F648 HydrophobicContact CG-CZ 4.09Å; V375-F648 HydrophobicContact CB-CE1 4.24Å; V375-F648 HydrophobicContact CG1-CD1 4.09Å; V375-F648 HydrophobicContact CG1-CE1 3.8Å; V375-F648 HydrophobicContact CG1-CZ 4.49Å; V375-F648 HydrophobicContact CG2-CE1 3.98Å; V375-F648 HydrophobicContact CG2-CZ 3.95Å; Q402-F648 PolarHBondContact NE2-O 3.31Å; L407-F648 HydrophobicContact CD1-CD1 3.58Å; L407-F648 HydrophobicContact CD1-CE1 3.56Å; L407-F648 HydrophobicContact CD1-CG 4.25Å; L407-F648 HydrophobicContact CD1-CZ 4.19Å; L407-F648 HydrophobicContact CD2-CB 4.07Å; L407-F648 HydrophobicContact CD2-CD1 4.05Å; L407-F648 HydrophobicContact CD2-CD2 4.36Å; L407-F648 HydrophobicContact CD2-CG 3.89Å; L407-F648 HydrophobicContact CG-CD1 4.38Å; T646-F648 PolarHBondContact O-N 2.94Å; F648-G650 PolarHBondContact O-N 2.9Å; F648-F651 HydrophobicContact CB-CB 4.26Å; F648-F651 WeakPolarHBondContact O-CB 2.86Å; F648-F651 PolarHBondContact O-N 2.81Å; F648-F651 VanDerWaalsContact O-N 3.13Å
649	S	89	Confident	82.5	Confident	93 Å²	93	65.7 Å²	65.7	65%	0.65	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	134.8	175.1	-173.3	0	0	0	0	110.7	M379 T646 F651	M379-S649 WeakPolarHBondContact CE-O 3.48Å; T646-S649 VanDerWaalsContact O-CB 3.3Å; T646-S649 WeakPolarHBondContact O-CB 3.44Å; T646-S649 PolarHBondContact O-N 3.42Å; T646-S649 VanDerWaalsContact O-N 3.15Å; S649-F651 VanDerWaalsContact C-N 3.26Å; S649-F651 PolarHBondContact O-N 3.29Å
650	G	89.8	Confident	81.2	Confident	53 Å²	53	65 Å²	65	55%	0.546	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	7	-175.8	0	0	0	0	0	115	R382 F648	R382-G650 WeakPolarHBondContact CD-O 3.27Å; F648-G650 PolarHBondContact O-N 2.9Å
651	F	92.8	Very high	79.7	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	41%	0.41	C	S	.	.			trans	-64.2	-46.9	175	-177.4	-91.3	0	0	0	112.2	M379 R382 T400 F401 Q402 L407 Y408 F409 F648 S649 F653	M379-F651 HydrophobicContact SD-CB 4.14Å; M379-F651 HydrophobicContact SD-CD2 4Å; R382-F651 HydrophobicContact CB-CD2 4.4Å; R382-F651 HydrophobicContact CB-CE2 4.34Å; R382-F651 WeakPolarHBondContact CD-O 3.49Å; R382-F651 HydrophobicContact CG-CD2 4.31Å; R382-F651 HydrophobicContact CG-CE2 4.44Å; T400-F651 WeakPolarHBondContact CB-O 3.23Å; T400-F651 HydrophobicContact CG2-CE1 4.18Å; T400-F651 HydrophobicContact CG2-CZ 3.99Å; T400-F651 PolarHBondContact OG1-O 3.08Å; F401-F651 VanDerWaalsContact O-CE1 3.28Å; F401-F651 WeakPolarHBondContact O-CE1 3.49Å; Q402-F651 HydrophobicContact CB-CD1 4.12Å; L407-F651 HydrophobicContact CB-CE1 3.9Å; L407-F651 HydrophobicContact CB-CE2 4.05Å; L407-F651 HydrophobicContact CB-CZ 3.63Å; L407-F651 HydrophobicContact CD1-CD2 4.28Å; L407-F651 HydrophobicContact CD1-CE2 4.04Å; L407-F651 HydrophobicContact CD1-CZ 4.47Å; L407-F651 HydrophobicContact CD2-CD1 3.95Å; L407-F651 HydrophobicContact CD2-CD2 4.18Å; L407-F651 HydrophobicContact CD2-CE1 4.14Å; L407-F651 HydrophobicContact CD2-CE2 4.35Å; L407-F651 HydrophobicContact CD2-CG 3.99Å; L407-F651 HydrophobicContact CD2-CZ 4.36Å; L407-F651 HydrophobicContact CG-CE2 4.38Å; L407-F651 HydrophobicContact CG-CZ 4.37Å; Y408-F651 WeakPolarHBondContact O-CE1 3.32Å; F409-F651 HydrophobicContact CD1-CZ 4.45Å; F409-F651 HydrophobicContact CD2-CE2 4.47Å; F409-F651 AromaticContact CD2-CZ 3.95Å; F409-F651 HydrophobicContact CD2-CZ 3.95Å; F409-F651 HydrophobicContact CE1-CE2 4.01Å; F409-F651 HydrophobicContact CE1-CZ 4.14Å; F409-F651 AromaticContact CE2-CE2 3.67Å; F409-F651 HydrophobicContact CE2-CE2 3.67Å; F409-F651 AromaticContact CE2-CZ 3.58Å; F409-F651 HydrophobicContact CE2-CZ 3.58Å; F409-F651 HydrophobicContact CG-CZ 4.37Å; F409-F651 AromaticContact CZ-CE2 3.42Å; F409-F651 HydrophobicContact CZ-CE2 3.42Å; F409-F651 VanDerWaalsContact CZ-CE2 3.42Å; F409-F651 AromaticContact CZ-CZ 3.71Å; F409-F651 HydrophobicContact CZ-CZ 3.71Å; F648-F651 HydrophobicContact CB-CB 4.26Å; F648-F651 WeakPolarHBondContact O-CB 2.86Å; F648-F651 PolarHBondContact O-N 2.81Å; F648-F651 VanDerWaalsContact O-N 3.13Å; S649-F651 VanDerWaalsContact C-N 3.26Å; S649-F651 PolarHBondContact O-N 3.29Å; F651-F653 PolarHBondContact O-N 2.98Å
652	S	91	Very high	77.7	Confident	69 Å²	69	75.3 Å²	75.3	48%	0.483	43%	0.432	S	S	.	.			trans	-68.5	124.6	-175.9	-56.8	0	0	0	0	112	T400	T400-S652 CarbonylContact O-C 3.46Å; T400-S652 VanDerWaalsContact O-CA 3.3Å; T400-S652 WeakPolarHBondContact O-CA 3.3Å
653	F	90.8	Very high	77.6	Confident	56 Å²	56	72.1 Å²	72.1	25%	0.246	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	146.8	-175.7	166.8	-98.1	0	0	0	111	A386 L397 S399 T400 F651 N655	A386-F653 HydrophobicContact CB-CD1 3.93Å; A386-F653 HydrophobicContact CB-CE1 3.55Å; A386-F653 HydrophobicContact CB-CZ 3.97Å; L397-F653 HydrophobicContact CD2-CD1 3.97Å; L397-F653 HydrophobicContact CD2-CE1 4.2Å; S399-F653 CarbonylContact C-O 3.53Å; S399-F653 WeakPolarHBondContact CA-O 3.36Å; S399-F653 VanDerWaalsContact CB-O 3.3Å; S399-F653 WeakPolarHBondContact CB-O 3.14Å; T400-F653 PolarHBondContact N-O 3.29Å; T400-F653 PolarHBondContact O-N 3.47Å; T400-F653 WeakPolarHBondContact OG1-CB 3.21Å; T400-F653 PolarHBondContact OG1-N 2.82Å; T400-F653 VanDerWaalsContact OG1-N 3.15Å; T400-F653 PolarHBondContact OG1-O 2.87Å; F651-F653 PolarHBondContact O-N 2.98Å; F653-N655 HydrophobicContact CE1-CB 3.74Å; F653-N655 HydrophobicContact CZ-CB 4.26Å
654	V	88.1	Confident	77.6	Confident	53 Å²	53	74.4 Å²	74.4	32%	0.321	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.6	173.3	179.4	0	0	0	0	108	P656	V654-P656 WeakPolarHBondContact O-CD 3.45Å
655	N	85.3	Confident	77.7	Confident	10 Å²	10	72.9 Å²	72.9	5%	0.053	42%	0.42	C	S	.	.			trans	-74.6	119.7	-176.2	-172.6	6.9	0	0	0	110.7	Q388 L397 H398 F653 E657 F658	Q388-N655 PolarHBondContact NE2-OD1 2.77Å; L397-N655 WeakPolarHBondContact O-CB 3.2Å; L397-N655 PolarHBondContact O-ND2 2.85Å; H398-N655 VanDerWaalsContact O-CB 3.31Å; H398-N655 WeakPolarHBondContact O-CB 2.92Å; H398-N655 PolarHBondContact O-N 2.86Å; F653-N655 HydrophobicContact CE1-CB 3.74Å; F653-N655 HydrophobicContact CZ-CB 4.26Å; N655-E657 VanDerWaalsContact C-N 3.31Å; N655-E657 PolarHBondContact O-N 2.76Å; N655-E657 PolarHBondContact OD1-N 3.5Å; N655-E657 VanDerWaalsContact OD1-N 3.14Å; N655-F658 HydrophobicContact CB-CB 4.24Å
656	P	81.2	Confident	77.8	Confident	73 Å²	73	74.4 Å²	74.4	47%	0.474	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-22	176.9	30.3	-35.7	0	0	0	113.8	V654	V654-P656 WeakPolarHBondContact O-CD 3.45Å
657	E	79.9	Confident	77.4	Confident	78 Å²	78	72.9 Å²	72.9	36%	0.364	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	2.9	-178.3	-77.3	179.7	177.8	0	0	113.7	Q388 R389 N655 I659	Q388-E657 VanDerWaalsContact CA-OE2 3.27Å; Q388-E657 WeakPolarHBondContact CA-OE2 3.48Å; Q388-E657 WeakPolarHBondContact CB-OE2 3.26Å; Q388-E657 PolarHBondContact OE1-OE1 2.89Å; Q388-E657 PolarHBondContact OE1-OE2 2.77Å; R389-E657 PolarHBondContact N-OE2 3.09Å; N655-E657 VanDerWaalsContact C-N 3.31Å; N655-E657 PolarHBondContact O-N 2.76Å; N655-E657 PolarHBondContact OD1-N 3.5Å; N655-E657 VanDerWaalsContact OD1-N 3.14Å; E657-I659 PolarHBondContact O-N 2.82Å; E657-I659 VanDerWaalsContact O-N 3.13Å
658	F	76.2	Confident	76.9	Confident	38 Å²	38	73.3 Å²	73.3	17%	0.167	43%	0.428	C	S	.	.			trans	-73.9	110.4	-178.6	-166.2	-92.7	0	0	0	110.8	Y359 Q396 L397 H398 E412 N655 V660	Y359-F658 HydrophobicContact CD1-CZ 4.44Å; Y359-F658 AromaticContact CE1-CE1 3.75Å; Y359-F658 HydrophobicContact CE1-CE1 3.75Å; Y359-F658 AromaticContact CE1-CZ 3.96Å; Y359-F658 HydrophobicContact CE1-CZ 3.96Å; Q396-F658 HydrophobicContact CB-CD2 4.13Å; Q396-F658 HydrophobicContact CB-CE2 3.87Å; L397-F658 VanDerWaalsContact C-CD2 3.42Å; L397-F658 VanDerWaalsContact O-CD2 3.24Å; L397-F658 WeakPolarHBondContact O-CD2 3.3Å; H398-F658 VanDerWaalsContact CA-CD2 3.47Å; H398-F658 HydrophobicContact CB-CD1 3.92Å; H398-F658 HydrophobicContact CB-CD2 3.88Å; H398-F658 HydrophobicContact CB-CE1 3.87Å; H398-F658 HydrophobicContact CB-CE2 3.84Å; H398-F658 HydrophobicContact CB-CG 3.9Å; H398-F658 HydrophobicContact CB-CZ 3.83Å; H398-F658 AromaticContact CD2-CD1 3.51Å; H398-F658 AromaticContact CD2-CE1 3.78Å; E412-F658 HydrophobicContact CB-CE2 4.35Å; E412-F658 HydrophobicContact CB-CZ 4.39Å; N655-F658 HydrophobicContact CB-CB 4.24Å; F658-V660 HydrophobicContact CD1-CG2 4.11Å; F658-V660 HydrophobicContact CE1-CG2 3.6Å
659	I	63.1	Low	75.9	Confident	137 Å²	137	78.5 Å²	78.5	70%	0.703	46%	0.458	S	S	*	.			trans	-104.6	124.4	174.4	-58.3	171.9	0	0	0	107.3	E657 E661	E657-I659 PolarHBondContact O-N 2.82Å; E657-I659 VanDerWaalsContact O-N 3.13Å; I659-E661 HydrophobicContact CG2-CG 4.5Å
660	V	53.3	Low	74.9	Confident	56 Å²	56	77.4 Å²	77.4	34%	0.339	44%	0.443	S	S	.	.			trans	-86.1	106.8	163.5	-177.7	0	0	0	0	105.9	F658 V662	F658-V660 HydrophobicContact CD1-CG2 4.11Å; F658-V660 HydrophobicContact CE1-CG2 3.6Å; V660-V662 HydrophobicContact CG1-CG2 4.15Å; V660-V662 PolarHBondContact O-N 3.4Å
661	E	47.5	Very low	73.7	Confident	183 Å²	183	79.4 Å²	79.4	86%	0.855	44%	0.435	S	S	*	.			trans	-69.2	113.6	162.5	-70.2	-175.8	174.4	0	0	106.6	I659	I659-E661 HydrophobicContact CG2-CG 4.5Å
662	V	35.4	Very low	72	Confident	200 Å²	200	86.6 Å²	86.6	100%	1.212	47%	0.474	S	S	*	.			trans	-86.6	0	178.5	-177.9	0	0	0	0	110.1	V660	V660-V662 HydrophobicContact CG1-CG2 4.15Å; V660-V662 PolarHBondContact O-N 3.4Å

Retrieved 662 of 662 residues in 1144.3 ms (Link to these results)

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