A0A3Q0KKA9_SCHMA Loading...

bis(5'-adenosyl)-triphosphatase

AlphaFold DB (A0A5K4EKD8), UniProt , Accession A0A3Q0KKA9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 489 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	30.4	Very low	228 Å²	228	165.9 Å²	165.9	100%	1.123	83%	0.832	S	S	*	*				0	113.7	0	-145	167.6	-177.1	0	0	107.1	F3	M1-F3 PolarHBondContact O-N 3.46Å
2	R	31.5	Very low	30.2	Very low	237 Å²	237	165.8 Å²	165.8	89%	0.894	83%	0.833	S	S	*	*			trans	-68.3	124.7	-177.1	-76.1	177.1	174.2	172.1	-2.2	109.7
3	F	32.6	Very low	30.2	Very low	197 Å²	197	162.5 Å²	162.5	86%	0.864	83%	0.827	S	S	*	*			trans	-120.5	106.4	156.3	-90.1	-82	0	0	0	108.7	M1	M1-F3 PolarHBondContact O-N 3.46Å
4	T	28.9	Very low	29.9	Very low	115 Å²	115	162.9 Å²	162.9	71%	0.706	82%	0.823	S	S	*	*			trans	-86.1	127.4	179.1	12.1	0	0	0	0	110.9
5	L	27.2	Very low	30	Very low	136 Å²	136	161 Å²	161	71%	0.712	82%	0.822	S	S	*	*			trans	42.7	112.7	138.8	-75.8	150.1	0	0	0	119.4	K7	L5-K7 HydrophobicContact CD2-CG 4.01Å
6	R	29.5	Very low	30.1	Very low	256 Å²	256	155.6 Å²	155.6	97%	0.966	81%	0.81	S	S	*	*			trans	-115.6	106.9	138.8	-83.3	-172.9	174.6	-170.9	-0.8	109.1
7	K	31.3	Very low	30.3	Very low	178 Å²	178	152.2 Å²	152.2	77%	0.774	79%	0.793	S	S	*	*			trans	-74.6	118.3	164	-74.7	178.2	172.1	-179.9	0	107.9	L5	L5-K7 HydrophobicContact CD2-CG 4.01Å
8	S	29.9	Very low	30.8	Very low	121 Å²	121	148.4 Å²	148.4	85%	0.846	78%	0.781	S	S	*	*			trans	-93.2	120	159.4	56.7	0	0	0	0	108.5
9	I	27.9	Very low	31.1	Very low	153 Å²	153	144.8 Å²	144.8	79%	0.785	77%	0.769	S	S	*	*			trans	-107.3	104.9	169.2	-65.5	170.6	0	0	0	105.6
10	V	29.8	Very low	31.3	Very low	146 Å²	146	147 Å²	147	89%	0.885	77%	0.766	S	S	*	*			trans	-160.8	125.8	158.4	-170.5	0	0	0	0	104.2
11	G	27.2	Very low	31.9	Very low	58 Å²	58	144.9 Å²	144.9	60%	0.598	76%	0.755	S	S	*	*			cis	166.2	126.7	6.9	0	0	0	0	0	103.3	V13	G11-V13 PolarHBondContact O-N 3.06Å; G11-V13 VanDerWaalsContact O-N 3.08Å
12	I	27.9	Very low	32	Very low	164 Å²	164	136.3 Å²	136.3	84%	0.841	72%	0.716	S	S	*	*			trans	-63.4	110	-177.2	-66.6	167.2	0	0	0	108.2	H14	I12-H14 PolarHBondContact O-N 3.44Å
13	V	29.5	Very low	32.5	Very low	124 Å²	124	131.2 Å²	131.2	75%	0.752	71%	0.706	S	S	*	*			trans	-75.9	104.5	170.9	179.8	0	0	0	0	107.5	G11 V15	G11-V13 PolarHBondContact O-N 3.06Å; G11-V13 VanDerWaalsContact O-N 3.08Å; V13-V15 PolarHBondContact O-N 3.41Å; V13-V15 VanDerWaalsContact O-N 3.17Å
14	H	26.8	Very low	33.1	Very low	168 Å²	168	127.7 Å²	127.7	78%	0.778	70%	0.695	S	S	*	*			trans	-63.7	109.4	166.3	-119.2	27.8	0	0	0	108.6	I12 A16	I12-H14 PolarHBondContact O-N 3.44Å; H14-A16 PolarHBondContact O-N 2.89Å
15	V	31.6	Very low	34	Very low	134 Å²	134	129.3 Å²	129.3	81%	0.812	69%	0.688	S	S	*	*			trans	-74.2	83.7	169.6	-177.5	0	0	0	0	107.7	V13	V13-V15 PolarHBondContact O-N 3.41Å; V13-V15 VanDerWaalsContact O-N 3.17Å
16	A	30.3	Very low	35.4	Very low	75 Å²	75	125.7 Å²	125.7	62%	0.62	67%	0.67	S	S	*	*			trans	-92.6	135.1	167.2	0	0	0	0	0	109.7	H14	H14-A16 PolarHBondContact O-N 2.89Å
17	N	34.5	Very low	37.5	Very low	98 Å²	98	118.7 Å²	118.7	52%	0.524	65%	0.649	S	S	.	*			trans	86.9	48.5	167.8	-62.9	-23.4	0	0	0	120.1	S19	N17-S19 VanDerWaalsContact C-N 3.33Å
18	S	38.6	Very low	40.3	Very low	84 Å²	84	113 Å²	113	59%	0.587	63%	0.629	S	S	*	*	H	α-helix	trans	-68.1	-30	157.3	172	0	0	0	0	112.9	R20 I21 T22	S18-R20 PolarHBondContact O-N 2.8Å; S18-I21 PolarHBondContact O-N 3.17Å; S18-T22 PolarHBondContact O-N 2.82Å; S18-T22 PolarHBondContact O-OG1 3.01Å; S18-T22 VanDerWaalsContact O-OG1 3.08Å
19	S	36.2	Very low	43.4	Very low	79 Å²	79	108.2 Å²	108.2	55%	0.552	60%	0.595	S	S	*	*	H	α-helix	trans	-68	-35.5	-172.4	49.3	0	0	0	0	115	N17 L23	N17-S19 VanDerWaalsContact C-N 3.33Å; S19-L23 PolarHBondContact O-N 3.31Å
20	R	35.3	Very low	46.7	Very low	188 Å²	188	103.9 Å²	103.9	71%	0.709	57%	0.571	S	S	*	*	H	α-helix	trans	-72	-35.2	178.4	-86.4	-174.4	174.8	-178.3	-1.1	113.2	S18 T22 L23 L24	S18-R20 PolarHBondContact O-N 2.8Å; R20-T22 VanDerWaalsContact C-N 3.33Å; R20-L23 PolarHBondContact O-N 3.07Å; R20-L24 PolarHBondContact O-N 3.47Å
21	I	44	Very low	49.9	Very low	103 Å²	103	97 Å²	97	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-68.4	-36.7	177.6	-64.2	173	0	0	0	110.2	S18	S18-I21 PolarHBondContact O-N 3.17Å
22	T	41	Very low	53.3	Low	48 Å²	48	94.2 Å²	94.2	29%	0.294	50%	0.5	S	S	.	.	H	α-helix	trans	-72.3	-34.3	177.5	-48	0	0	0	0	112.7	S18 R20 R25	S18-T22 PolarHBondContact O-N 2.82Å; S18-T22 PolarHBondContact O-OG1 3.01Å; S18-T22 VanDerWaalsContact O-OG1 3.08Å; R20-T22 VanDerWaalsContact C-N 3.33Å; T22-R25 PolarHBondContact O-N 3.04Å
23	L	41.4	Very low	56.7	Low	131 Å²	131	86.4 Å²	86.4	69%	0.686	46%	0.46	S	S	*	.	H	α-helix	trans	-68.3	-37.6	178	-119	101.8	0	0	0	113.3	S19 R20 R25 N26	S19-L23 PolarHBondContact O-N 3.31Å; R20-L23 PolarHBondContact O-N 3.07Å; L23-R25 PolarHBondContact O-N 3.3Å; L23-N26 PolarHBondContact O-N 3.25Å
24	L	45.8	Very low	60	Low	123 Å²	123	80.5 Å²	80.5	64%	0.644	42%	0.424	S	S	*	.	H	α-helix	trans	-63.1	-25	178.3	-76	163.2	0	0	0	113.1	R20 N26 M27	R20-L24 PolarHBondContact O-N 3.47Å; L24-N26 VanDerWaalsContact C-N 3.35Å; L24-M27 HydrophobicContact CD2-CE 3.86Å
25	R	48.9	Very low	63.4	Low	148 Å²	148	72.5 Å²	72.5	56%	0.558	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.2	-178.2	-82.8	-177.2	-176.8	-179.7	1.4	114.3	T22 L23 T296	T22-R25 PolarHBondContact O-N 3.04Å; L23-R25 PolarHBondContact O-N 3.3Å; R25-T296 HydrophobicContact CB-CG2 4.45Å; R25-T296 WeakPolarHBondContact CB-OG1 3.49Å; R25-T296 HydrophobicContact CG-CG2 4.23Å; R25-T296 PolarHBondContact O-OG1 2.6Å
26	N	55.1	Low	66.6	Low	61 Å²	61	66.1 Å²	66.1	33%	0.326	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-6.3	-178.8	-145.6	9	0	0	0	114.4	L23 L24 I298	L23-N26 PolarHBondContact O-N 3.25Å; L24-N26 VanDerWaalsContact C-N 3.35Å; N26-I298 HydrophobicContact CB-CD1 3.29Å; N26-I298 WeakPolarHBondContact OD1-CD1 3.38Å
27	M	75.2	Confident	69.9	Low	108 Å²	108	64.9 Å²	64.9	53%	0.532	33%	0.33	S	S	.	.	S	Bend	trans	-93.9	140.6	-171.4	-66.8	-168	-72.8	0	0	110.9	L24	L24-M27 HydrophobicContact CD2-CE 3.86Å
28	T	89.4	Confident	72.9	Confident	58 Å²	58	60.2 Å²	60.2	36%	0.356	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-54.4	145.5	157.6	42.6	0	0	0	0	109.3	E291 I292 G293	T28-E291 WeakPolarHBondContact CB-OE2 3.32Å; T28-E291 HydrophobicContact CG2-CB 4.38Å; T28-E291 PolarHBondContact OG1-OE2 3.21Å; T28-I292 CarbonylContact C-O 3.6Å; T28-I292 WeakPolarHBondContact CA-O 3.48Å; T28-G293 WeakPolarHBondContact CG2-O 3.28Å
29	T	94.3	Very high	75.7	Confident	21 Å²	21	57.5 Å²	57.5	13%	0.129	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.2	174.6	-65	0	0	0	0	108.8	V31 K62 P187 V188 E291 I292	T29-V31 HydrophobicContact CG2-CG1 4.46Å; T29-V31 PolarHBondContact O-N 2.95Å; T29-K62 HydrophobicContact CG2-CB 3.76Å; T29-K62 HydrophobicContact CG2-CG 4.04Å; T29-P187 VanDerWaalsContact CB-O 3.32Å; T29-P187 WeakPolarHBondContact CB-O 3.43Å; T29-P187 HydrophobicContact CG2-CB 3.96Å; T29-P187 WeakPolarHBondContact CG2-O 3.38Å; T29-P187 PolarHBondContact OG1-O 3.17Å; T29-V188 HydrophobicContact CG2-CG1 3.9Å; T29-E291 WeakPolarHBondContact O-CA 3.42Å; T29-I292 PolarHBondContact N-O 3.22Å; T29-I292 PolarHBondContact O-N 3.41Å
30	K	97.3	Very high	78.6	Confident	63 Å²	63	54.7 Å²	54.7	27%	0.274	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	121.3	170.9	-162.9	175	-176.4	176.3	0	110	S59 V61 K62 C290 E291	K30-S59 VanDerWaalsContact CD-O 3.28Å; K30-S59 WeakPolarHBondContact CD-O 3.37Å; K30-S59 WeakPolarHBondContact CE-O 3.36Å; K30-S59 PolarHBondContact NZ-O 2.85Å; K30-V61 HydrophobicContact CD-CG2 4.42Å; K30-V61 HydrophobicContact CG-CG2 4.14Å; K30-V61 WeakPolarHBondContact O-CA 3.45Å; K30-K62 PolarHBondContact O-N 2.86Å; K30-C290 CarbonylContact C-O 3.53Å; K30-C290 WeakPolarHBondContact CA-O 3.3Å; K30-E291 HydrophobicContact CB-CG 4.35Å; K30-E291 HydrophobicContact CG-CG 4.48Å
31	V	98.5	Very high	81.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	151.6	177.6	-57.4	0	0	0	0	110.4	T29 I63 F65 V188 T289 C290 I292	T29-V31 HydrophobicContact CG2-CG1 4.46Å; T29-V31 PolarHBondContact O-N 2.95Å; V31-I63 HydrophobicContact CB-CG2 4.3Å; V31-I63 HydrophobicContact CG1-CG2 3.71Å; V31-F65 HydrophobicContact CB-CE2 4.12Å; V31-F65 HydrophobicContact CG1-CE2 4.17Å; V31-V188 HydrophobicContact CG1-CG1 3.49Å; V31-V188 VanDerWaalsContact CG1-CG1 3.49Å; V31-T289 VanDerWaalsContact O-CA 3.29Å; V31-T289 WeakPolarHBondContact O-CA 3.5Å; V31-C290 WeakPolarHBondContact CG2-SG 3.44Å; V31-C290 PolarHBondContact N-O 3.47Å; V31-C290 PolarHBondContact O-N 3.48Å; V31-I292 HydrophobicContact CG1-CD1 3.72Å; V31-I292 HydrophobicContact CG1-CG1 3.79Å
32	G	98.6	Very high	84.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.5	171.3	0	0	0	0	0	109.6	I63 V64 F65 L288	G32-I63 PolarHBondContact N-O 3.35Å; G32-V64 CarbonylContact O-C 3.54Å; G32-V64 VanDerWaalsContact O-CA 3.28Å; G32-V64 WeakPolarHBondContact O-CA 3.41Å; G32-F65 PolarHBondContact O-N 3.04Å; G32-L288 CarbonylContact C-O 3.57Å; G32-L288 WeakPolarHBondContact CA-O 3.37Å
33	V	98.8	Very high	86.9	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115	176.3	-172.2	0	0	0	0	106.8	V249 A251 V269 L288	V33-V249 HydrophobicContact CG1-CG1 4.32Å; V33-V249 HydrophobicContact CG2-CG1 3.58Å; V33-A251 HydrophobicContact CG1-CB 3.71Å; V33-V269 HydrophobicContact CG2-CG2 3.65Å; V33-L288 HydrophobicContact CB-CB 4.26Å; V33-L288 HydrophobicContact CB-CD2 4.43Å; V33-L288 PolarHBondContact N-O 2.75Å; V33-L288 WeakPolarHBondContact O-CB 3.48Å; V33-L288 PolarHBondContact O-N 2.67Å
34	V	98.7	Very high	89.6	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123	-174.8	-175.1	0	0	0	0	108.8	M36 Y52 V64 F65 L66 P67 G286 L287	V34-M36 HydrophobicContact CG1-CG 3.66Å; V34-M36 HydrophobicContact CG1-SD 4.42Å; V34-Y52 HydrophobicContact CG1-CD2 3.6Å; V34-Y52 HydrophobicContact CG1-CG 3.98Å; V34-V64 HydrophobicContact CG2-CG1 3.68Å; V34-F65 PolarHBondContact N-O 3.15Å; V34-L66 HydrophobicContact CB-CD2 3.75Å; V34-L66 HydrophobicContact CG1-CD2 4.25Å; V34-L66 HydrophobicContact CG2-CD2 3.76Å; V34-P67 WeakPolarHBondContact O-CD 3.17Å; V34-G286 WeakPolarHBondContact CA-O 3.4Å; V34-L287 HydrophobicContact CG2-CD1 4.05Å
35	Q	98.7	Very high	92.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.2	164.7	-173.8	150.3	-73.7	0	0	108.3	A252 E254 H266 S267 Q280 G284 P285 G286	Q35-A252 WeakPolarHBondContact CA-O 3.36Å; Q35-E254 HydrophobicContact CG-CB 3.86Å; Q35-E254 PolarHBondContact NE2-OE2 3.5Å; Q35-H266 VanDerWaalsContact OE1-N 3.07Å; Q35-S267 WeakPolarHBondContact CB-OG 3.48Å; Q35-S267 PolarHBondContact OE1-OG 3.01Å; Q35-S267 VanDerWaalsContact OE1-OG 3.05Å; Q35-Q280 HydrophobicContact CB-CG 4.3Å; Q35-G284 PolarHBondContact NE2-O 2.92Å; Q35-P285 CarbonylContact O-C 3.55Å; Q35-P285 WeakPolarHBondContact O-CA 3.08Å; Q35-G286 PolarHBondContact N-O 3.22Å; Q35-G286 PolarHBondContact O-N 3.24Å
36	M	98.7	Very high	94.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-120.4	159.6	-178.2	-64.4	-172.9	67.7	0	0	111.9	V34 N45 Q48 A49 L66 P67 F70 A252 Q253 E254	V34-M36 HydrophobicContact CG1-CG 3.66Å; V34-M36 HydrophobicContact CG1-SD 4.42Å; M36-N45 VanDerWaalsContact CE-O 3.31Å; M36-N45 WeakPolarHBondContact CE-O 3.25Å; M36-Q48 VanDerWaalsContact CA-OE1 3.31Å; M36-Q48 HydrophobicContact CE-CB 4.29Å; M36-Q48 HydrophobicContact CE-CG 4.32Å; M36-A49 HydrophobicContact CE-CB 3.98Å; M36-A49 HydrophobicContact SD-CB 4.33Å; M36-L66 HydrophobicContact SD-CD2 4.29Å; M36-P67 HydrophobicContact CB-CG 3.82Å; M36-P67 HydrophobicContact CG-CG 3.95Å; M36-P67 HydrophobicContact SD-CG 4.19Å; M36-F70 HydrophobicContact SD-CB 3.93Å; M36-A252 PolarHBondContact N-O 2.9Å; M36-Q253 CarbonylContact O-C 3.56Å; M36-Q253 VanDerWaalsContact O-CA 3.26Å; M36-Q253 WeakPolarHBondContact O-CA 3.48Å; M36-Q253 PolarHBondContact O-OE1 3.34Å; M36-Q253 VanDerWaalsContact O-OE1 3.1Å; M36-E254 PolarHBondContact O-N 3.45Å
37	Q	98.2	Very high	96.6	Very high	49 Å²	49	38.3 Å²	38.3	23%	0.229	19%	0.187	C	C	.	.			trans	-127	76.9	167	-178.3	178.5	-4.2	0	0	108.1	E254 K256 P285	Q37-E254 WeakPolarHBondContact CB-O 3.43Å; Q37-E254 VanDerWaalsContact CG-O 3.23Å; Q37-E254 WeakPolarHBondContact CG-O 3.44Å; Q37-K256 PolarHBondContact NE2-O 2.84Å; Q37-P285 HydrophobicContact CB-CG 3.81Å
38	S	98.4	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.			trans	-70.5	146.7	-178.9	-65.3	0	0	0	0	111.9	N45 C69 Q253 H257	S38-N45 VanDerWaalsContact CA-OD1 3.27Å; S38-N45 WeakPolarHBondContact CA-OD1 3.27Å; S38-C69 WeakPolarHBondContact CB-O 3.48Å; S38-C69 PolarHBondContact OG-O 3.45Å; S38-Q253 PolarHBondContact OG-NE2 3.14Å; S38-Q253 PolarHBondContact OG-OE1 2.92Å; S38-H257 WeakPolarHBondContact O-CB 3.49Å; S38-H257 PolarHBondContact O-ND1 3.46Å
39	T	98	Very high	98.1	Very high	26 Å²	26	31.8 Å²	31.8	16%	0.16	15%	0.151	C	C	.	.			trans	-123.3	-166.2	169.4	67.6	0	0	0	0	110.1	D41 N45 F72 V73 H257	T39-D41 PolarHBondContact O-N 3.08Å; T39-D41 PolarHBondContact OG1-N 3.32Å; T39-N45 PolarHBondContact N-ND2 3.46Å; T39-N45 PolarHBondContact N-OD1 3.2Å; T39-N45 PolarHBondContact O-ND2 2.99Å; T39-F72 CarbonylContact O-C 3.56Å; T39-F72 VanDerWaalsContact O-CA 3.26Å; T39-F72 WeakPolarHBondContact O-CA 3.24Å; T39-F72 WeakPolarHBondContact O-CB 3.36Å; T39-V73 CarbonylContact C-O 3.49Å; T39-V73 PolarHBondContact O-N 2.95Å; T39-H257 WeakPolarHBondContact CG2-O 3.4Å
40	A	97.3	Very high	98.3	Very high	21 Å²	21	32.3 Å²	32.3	17%	0.174	15%	0.154	C	C	.	.	S	Bend	trans	-69.3	-10	171.3	0	0	0	0	0	113.4	K42 V73 L83	A40-K42 PolarHBondContact O-N 3.48Å; A40-V73 PolarHBondContact N-O 3.17Å; A40-L83 HydrophobicContact CB-CD1 4.31Å
41	D	97.9	Very high	98.4	Very high	81 Å²	81	35.1 Å²	35.1	43%	0.433	17%	0.167	S	C	.	.			trans	-85.4	97.9	-179.6	-173.8	-20.5	0	0	0	111.1	T39 E43 R44 N45	T39-D41 PolarHBondContact O-N 3.08Å; T39-D41 PolarHBondContact OG1-N 3.32Å; D41-E43 VanDerWaalsContact C-N 3.32Å; D41-E43 PolarHBondContact O-N 3.1Å; D41-E43 PolarHBondContact OD1-N 2.86Å; D41-E43 VanDerWaalsContact OD1-N 3.16Å; D41-R44 HydrophobicContact CB-CB 3.95Å; D41-R44 VanDerWaalsContact CG-CB 3.46Å; D41-R44 PolarHBondContact O-N 3.42Å; D41-R44 PolarHBondContact OD1-N 2.91Å; D41-N45 PolarHBondContact O-N 2.64Å; D41-N45 VanDerWaalsContact O-N 3.08Å; D41-N45 PolarHBondContact O-ND2 3.46Å; D41-N45 VanDerWaalsContact O-ND2 3.12Å; D41-N45 PolarHBondContact O-OD1 3.37Å
42	K	97.9	Very high	98.4	Very high	33 Å²	33	36.1 Å²	36.1	14%	0.143	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-37.4	-177.2	-63.6	-177.7	71	169.3	0	113.2	A40 N45 F46 F72 L83 E85	A40-K42 PolarHBondContact O-N 3.48Å; K42-N45 PolarHBondContact O-N 2.79Å; K42-F46 WeakPolarHBondContact O-CB 3.34Å; K42-F46 PolarHBondContact O-N 2.79Å; K42-F72 HydrophobicContact CD-CD1 4.17Å; K42-F72 HydrophobicContact CG-CB 4.09Å; K42-F72 HydrophobicContact CG-CD1 4.11Å; K42-F72 HydrophobicContact CG-CG 4.4Å; K42-L83 HydrophobicContact CD-CB 4.29Å; K42-L83 HydrophobicContact CD-CD2 4.08Å; K42-L83 HydrophobicContact CG-CD2 4.47Å; K42-L83 PolarHBondContact NZ-O 2.92Å; K42-E85 IonicContact NZ-OE1 3.21Å; K42-E85 PolarHBondContact NZ-OE1 3.15Å
43	E	98	Very high	98.3	Very high	84 Å²	84	36.1 Å²	36.1	39%	0.393	17%	0.171	S	C	.	.	H	α-helix	trans	-73.4	-43.9	-176.2	-163.3	63.5	-152.9	0	0	109.9	D41 N45 F46 E47 K94	D41-E43 VanDerWaalsContact C-N 3.32Å; D41-E43 PolarHBondContact O-N 3.1Å; D41-E43 PolarHBondContact OD1-N 2.86Å; D41-E43 VanDerWaalsContact OD1-N 3.16Å; E43-N45 VanDerWaalsContact C-N 3.28Å; E43-N45 PolarHBondContact O-N 2.83Å; E43-F46 WeakPolarHBondContact O-CB 3.32Å; E43-F46 PolarHBondContact O-N 2.88Å; E43-F46 VanDerWaalsContact O-N 3.14Å; E43-E47 WeakPolarHBondContact O-CG 3.34Å; E43-E47 PolarHBondContact O-N 2.99Å; E43-K94 VanDerWaalsContact CD-NZ 3.31Å; E43-K94 IonicContact OE1-NZ 2.57Å; E43-K94 PolarHBondContact OE1-NZ 2.7Å; E43-K94 IonicContact OE2-NZ 3.62Å; E43-K94 PolarHBondContact OE2-NZ 3.38Å
44	R	98.3	Very high	98.3	Very high	111 Å²	111	38.9 Å²	38.9	42%	0.419	19%	0.185	S	C	.	.	H	α-helix	trans	-57.6	-41.4	172.9	-179.2	-178	175	-126.7	-0.7	112.3	D41 Q48	D41-R44 HydrophobicContact CB-CB 3.95Å; D41-R44 VanDerWaalsContact CG-CB 3.46Å; D41-R44 PolarHBondContact O-N 3.42Å; D41-R44 PolarHBondContact OD1-N 2.91Å; R44-Q48 WeakPolarHBondContact O-CB 3.03Å; R44-Q48 PolarHBondContact O-N 3.48Å
45	N	98.6	Very high	98.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-42.2	177.8	-60.4	-20.9	0	0	0	111.2	M36 S38 T39 D41 K42 E43 Q48 A49 D71 F72	M36-N45 VanDerWaalsContact CE-O 3.31Å; M36-N45 WeakPolarHBondContact CE-O 3.25Å; S38-N45 VanDerWaalsContact CA-OD1 3.27Å; S38-N45 WeakPolarHBondContact CA-OD1 3.27Å; T39-N45 PolarHBondContact N-ND2 3.46Å; T39-N45 PolarHBondContact N-OD1 3.2Å; T39-N45 PolarHBondContact O-ND2 2.99Å; D41-N45 PolarHBondContact O-N 2.64Å; D41-N45 VanDerWaalsContact O-N 3.08Å; D41-N45 PolarHBondContact O-ND2 3.46Å; D41-N45 VanDerWaalsContact O-ND2 3.12Å; D41-N45 PolarHBondContact O-OD1 3.37Å; K42-N45 PolarHBondContact O-N 2.79Å; E43-N45 VanDerWaalsContact C-N 3.28Å; E43-N45 PolarHBondContact O-N 2.83Å; N45-Q48 PolarHBondContact O-N 2.65Å; N45-A49 PolarHBondContact O-N 2.8Å; N45-D71 PolarHBondContact ND2-O 3.33Å; N45-F72 WeakPolarHBondContact ND2-CA 3.4Å
46	F	98.6	Very high	98.2	Very high	28 Å²	28	43.1 Å²	43.1	12%	0.123	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-46.2	175.6	-179.1	-104.7	0	0	0	111.8	K42 E43 Q48 A49 V50 L91 K94 Y95	K42-F46 WeakPolarHBondContact O-CB 3.34Å; K42-F46 PolarHBondContact O-N 2.79Å; E43-F46 WeakPolarHBondContact O-CB 3.32Å; E43-F46 PolarHBondContact O-N 2.88Å; E43-F46 VanDerWaalsContact O-N 3.14Å; F46-Q48 VanDerWaalsContact C-N 3.31Å; F46-Q48 PolarHBondContact O-N 3.49Å; F46-A49 PolarHBondContact O-N 2.74Å; F46-A49 VanDerWaalsContact O-N 3.16Å; F46-V50 HydrophobicContact CD1-CG2 4.02Å; F46-V50 HydrophobicContact CD2-CG2 4.4Å; F46-V50 HydrophobicContact CE1-CG2 3.56Å; F46-V50 HydrophobicContact CE2-CG2 3.99Å; F46-V50 HydrophobicContact CG-CG2 4.4Å; F46-V50 HydrophobicContact CZ-CG2 3.53Å; F46-V50 VanDerWaalsContact O-CG2 3.3Å; F46-V50 WeakPolarHBondContact O-CG2 3.46Å; F46-V50 PolarHBondContact O-N 3.01Å; F46-L91 HydrophobicContact CB-CD1 4.35Å; F46-L91 HydrophobicContact CD2-CD1 3.94Å; F46-L91 HydrophobicContact CG-CD1 4.4Å; F46-K94 HydrophobicContact CD1-CD 4.17Å; F46-K94 HydrophobicContact CD2-CB 4.46Å; F46-K94 HydrophobicContact CD2-CD 4.47Å; F46-K94 HydrophobicContact CE1-CB 4.45Å; F46-K94 HydrophobicContact CE1-CD 3.89Å; F46-K94 HydrophobicContact CE2-CB 3.65Å; F46-K94 HydrophobicContact CE2-CD 4.22Å; F46-K94 HydrophobicContact CG-CD 4.46Å; F46-K94 HydrophobicContact CZ-CB 3.65Å; F46-K94 HydrophobicContact CZ-CD 3.93Å; F46-K94 HydrophobicContact CZ-CG 4.26Å; F46-Y95 HydrophobicContact CD2-CD2 4.32Å; F46-Y95 HydrophobicContact CD2-CE1 4.28Å; F46-Y95 AromaticContact CD2-CE2 3.73Å; F46-Y95 HydrophobicContact CD2-CE2 3.73Å; F46-Y95 AromaticContact CD2-CZ 3.73Å; F46-Y95 HydrophobicContact CE2-CD1 4.4Å; F46-Y95 HydrophobicContact CE2-CD2 4.28Å; F46-Y95 HydrophobicContact CE2-CE1 4.25Å; F46-Y95 HydrophobicContact CE2-CE2 4.11Å; F46-Y95 HydrophobicContact CE2-CG 4.42Å
47	E	98.6	Very high	98.1	Very high	120 Å²	120	46.7 Å²	46.7	56%	0.561	22%	0.221	S	C	*	.	H	α-helix	trans	-58.5	-41.4	175	-72.2	175.6	175.4	0	0	112.1	E43 V50 K51	E43-E47 WeakPolarHBondContact O-CG 3.34Å; E43-E47 PolarHBondContact O-N 2.99Å; E47-V50 PolarHBondContact O-N 2.93Å; E47-K51 WeakPolarHBondContact O-CB 3.29Å; E47-K51 PolarHBondContact O-N 3.43Å
48	Q	98.5	Very high	97.9	Very high	29 Å²	29	49.6 Å²	49.6	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-44.6	175	-176.7	174	108.2	0	0	111.7	M36 R44 N45 F46 Y52 P285	M36-Q48 VanDerWaalsContact CA-OE1 3.31Å; M36-Q48 HydrophobicContact CE-CB 4.29Å; M36-Q48 HydrophobicContact CE-CG 4.32Å; R44-Q48 WeakPolarHBondContact O-CB 3.03Å; R44-Q48 PolarHBondContact O-N 3.48Å; N45-Q48 PolarHBondContact O-N 2.65Å; F46-Q48 VanDerWaalsContact C-N 3.31Å; F46-Q48 PolarHBondContact O-N 3.49Å; Q48-Y52 HydrophobicContact CG-CD2 4.19Å; Q48-Y52 HydrophobicContact CG-CE2 3.86Å; Q48-Y52 VanDerWaalsContact O-CD2 3.24Å; Q48-Y52 WeakPolarHBondContact O-CD2 3.43Å; Q48-Y52 PolarHBondContact O-N 2.9Å; Q48-P285 HydrophobicContact CG-CB 4.39Å
49	A	98.6	Very high	97.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-46.8	176.5	0	0	0	0	0	111.6	M36 N45 F46 K51 Y52 I53 L66 Y95	M36-A49 HydrophobicContact CE-CB 3.98Å; M36-A49 HydrophobicContact SD-CB 4.33Å; N45-A49 PolarHBondContact O-N 2.8Å; F46-A49 PolarHBondContact O-N 2.74Å; F46-A49 VanDerWaalsContact O-N 3.16Å; A49-K51 VanDerWaalsContact C-N 3.32Å; A49-K51 PolarHBondContact O-N 3.07Å; A49-Y52 PolarHBondContact O-N 3.14Å; A49-Y52 VanDerWaalsContact O-N 3.17Å; A49-I53 HydrophobicContact CB-CD1 4.32Å; A49-I53 WeakPolarHBondContact O-CB 3.12Å; A49-I53 WeakPolarHBondContact O-CD1 3.19Å; A49-I53 VanDerWaalsContact O-CG1 3.26Å; A49-I53 WeakPolarHBondContact O-CG1 3.46Å; A49-I53 PolarHBondContact O-N 3.32Å; A49-L66 HydrophobicContact CB-CD1 4.15Å; A49-Y95 HydrophobicContact CB-CE1 4.04Å; A49-Y95 WeakPolarHBondContact CB-OH 3.5Å
50	V	98.5	Very high	97.7	Very high	32 Å²	32	52.2 Å²	52.2	19%	0.194	27%	0.272	C	S	.	.	H	α-helix	trans	-56	-45.8	177.7	169.1	0	0	0	0	111.2	F46 E47 Y52 I53 N54 L98	F46-V50 HydrophobicContact CD1-CG2 4.02Å; F46-V50 HydrophobicContact CD2-CG2 4.4Å; F46-V50 HydrophobicContact CE1-CG2 3.56Å; F46-V50 HydrophobicContact CE2-CG2 3.99Å; F46-V50 HydrophobicContact CG-CG2 4.4Å; F46-V50 HydrophobicContact CZ-CG2 3.53Å; F46-V50 VanDerWaalsContact O-CG2 3.3Å; F46-V50 WeakPolarHBondContact O-CG2 3.46Å; F46-V50 PolarHBondContact O-N 3.01Å; E47-V50 PolarHBondContact O-N 2.93Å; V50-Y52 VanDerWaalsContact C-N 3.33Å; V50-Y52 PolarHBondContact O-N 2.73Å; V50-I53 PolarHBondContact O-N 2.83Å; V50-N54 WeakPolarHBondContact O-CB 3.5Å; V50-N54 VanDerWaalsContact O-CG 3.22Å; V50-N54 PolarHBondContact O-N 3.17Å; V50-N54 PolarHBondContact O-ND2 3.32Å; V50-L98 HydrophobicContact CG2-CD2 3.85Å
51	K	98.4	Very high	97.7	Very high	122 Å²	122	51.4 Å²	51.4	53%	0.53	26%	0.264	S	S	.	.	H	α-helix	trans	-52.3	-50.9	176.4	175.9	-171.7	172.5	-167.6	0	111.7	E47 A49 Q55	E47-K51 WeakPolarHBondContact O-CB 3.29Å; E47-K51 PolarHBondContact O-N 3.43Å; A49-K51 VanDerWaalsContact C-N 3.32Å; A49-K51 PolarHBondContact O-N 3.07Å; K51-Q55 PolarHBondContact O-N 2.88Å; K51-Q55 VanDerWaalsContact O-N 3.14Å
52	Y	98.4	Very high	97.7	Very high	21 Å²	21	53.1 Å²	53.1	8%	0.082	27%	0.268	C	S	.	.	H	α-helix	trans	-77.4	-29.2	-177	-66.1	-54	0	0	0	113.4	V34 Q48 A49 V50 Q55 A56 P285 L287	V34-Y52 HydrophobicContact CG1-CD2 3.6Å; V34-Y52 HydrophobicContact CG1-CG 3.98Å; Q48-Y52 HydrophobicContact CG-CD2 4.19Å; Q48-Y52 HydrophobicContact CG-CE2 3.86Å; Q48-Y52 VanDerWaalsContact O-CD2 3.24Å; Q48-Y52 WeakPolarHBondContact O-CD2 3.43Å; Q48-Y52 PolarHBondContact O-N 2.9Å; A49-Y52 PolarHBondContact O-N 3.14Å; A49-Y52 VanDerWaalsContact O-N 3.17Å; V50-Y52 VanDerWaalsContact C-N 3.33Å; V50-Y52 PolarHBondContact O-N 2.73Å; Y52-Q55 PolarHBondContact O-N 3.02Å; Y52-A56 VanDerWaalsContact O-CB 3.27Å; Y52-A56 WeakPolarHBondContact O-CB 3.33Å; Y52-A56 PolarHBondContact O-N 2.71Å; Y52-P285 HydrophobicContact CE2-CB 3.83Å; Y52-P285 VanDerWaalsContact OH-C 3.26Å; Y52-P285 PolarHBondContact OH-O 3.2Å; Y52-L287 HydrophobicContact CD1-CB 3.87Å; Y52-L287 HydrophobicContact CG-CB 4.38Å
53	I	98.4	Very high	97.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.9	-45.4	172.5	-72.4	163.5	0	0	0	110.6	A49 V50 Q55 A56 K57 V64 Y95 L98 E102 L104 I106	A49-I53 HydrophobicContact CB-CD1 4.32Å; A49-I53 WeakPolarHBondContact O-CB 3.12Å; A49-I53 WeakPolarHBondContact O-CD1 3.19Å; A49-I53 VanDerWaalsContact O-CG1 3.26Å; A49-I53 WeakPolarHBondContact O-CG1 3.46Å; A49-I53 PolarHBondContact O-N 3.32Å; V50-I53 PolarHBondContact O-N 2.83Å; I53-Q55 VanDerWaalsContact C-N 3.34Å; I53-Q55 PolarHBondContact O-N 2.95Å; I53-A56 WeakPolarHBondContact O-CB 3.4Å; I53-A56 PolarHBondContact O-N 2.95Å; I53-A56 VanDerWaalsContact O-N 3.17Å; I53-K57 PolarHBondContact O-N 3.08Å; I53-V64 HydrophobicContact CG1-CG1 3.97Å; I53-Y95 HydrophobicContact CD1-CD1 4.44Å; I53-Y95 HydrophobicContact CD1-CE1 4.08Å; I53-L98 HydrophobicContact CB-CD2 4.26Å; I53-L98 HydrophobicContact CD1-CD2 3.51Å; I53-L98 HydrophobicContact CG1-CD2 4.47Å; I53-L98 HydrophobicContact CG2-CD1 4.4Å; I53-L98 HydrophobicContact CG2-CD2 3.95Å; I53-L98 HydrophobicContact CG2-CG 4.05Å; I53-E102 HydrophobicContact CG2-CG 4.37Å; I53-L104 HydrophobicContact CG2-CD2 4.01Å; I53-I106 HydrophobicContact CD1-CD1 4.15Å
54	N	97.7	Very high	97.8	Very high	58 Å²	58	47.6 Å²	47.6	31%	0.31	24%	0.243	S	C	.	.	H	α-helix	trans	-63.9	-39.9	176.5	-67.7	-10	0	0	0	111.8	V50 K57 S58	V50-N54 WeakPolarHBondContact O-CB 3.5Å; V50-N54 VanDerWaalsContact O-CG 3.22Å; V50-N54 PolarHBondContact O-N 3.17Å; V50-N54 PolarHBondContact O-ND2 3.32Å; N54-K57 PolarHBondContact O-N 3.19Å; N54-S58 WeakPolarHBondContact O-CB 3.22Å; N54-S58 PolarHBondContact O-N 3.44Å; N54-S58 PolarHBondContact O-OG 3.42Å
55	Q	97.7	Very high	97.8	Very high	90 Å²	90	42.3 Å²	42.3	42%	0.421	22%	0.223	S	C	.	.	H	α-helix	trans	-63.5	-41.3	173.5	-173.4	-177.1	-13.3	0	0	111.8	K51 Y52 I53 S58 S59 L287	K51-Q55 PolarHBondContact O-N 2.88Å; K51-Q55 VanDerWaalsContact O-N 3.14Å; Y52-Q55 PolarHBondContact O-N 3.02Å; I53-Q55 VanDerWaalsContact C-N 3.34Å; I53-Q55 PolarHBondContact O-N 2.95Å; Q55-S58 PolarHBondContact O-N 3.33Å; Q55-S59 WeakPolarHBondContact O-CB 3.42Å; Q55-S59 PolarHBondContact O-N 2.94Å; Q55-S59 PolarHBondContact O-OG 3.45Å; Q55-L287 HydrophobicContact CB-CD2 4.05Å; Q55-L287 HydrophobicContact CG-CD2 3.82Å
56	A	97.7	Very high	97.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-46	178.1	0	0	0	0	0	111.4	Y52 I53 S58 S59 G60 V61 V64 L287	Y52-A56 VanDerWaalsContact O-CB 3.27Å; Y52-A56 WeakPolarHBondContact O-CB 3.33Å; Y52-A56 PolarHBondContact O-N 2.71Å; I53-A56 WeakPolarHBondContact O-CB 3.4Å; I53-A56 PolarHBondContact O-N 2.95Å; I53-A56 VanDerWaalsContact O-N 3.17Å; A56-S58 VanDerWaalsContact C-N 3.35Å; A56-S58 PolarHBondContact O-N 2.7Å; A56-S59 CarbonylContact O-C 3.57Å; A56-S59 WeakPolarHBondContact O-CA 3.44Å; A56-S59 WeakPolarHBondContact O-CB 3.22Å; A56-S59 PolarHBondContact O-N 3.42Å; A56-G60 PolarHBondContact O-N 3.13Å; A56-V61 HydrophobicContact CB-CB 3.89Å; A56-V61 HydrophobicContact CB-CG1 4.14Å; A56-V61 HydrophobicContact CB-CG2 3.9Å; A56-V61 VanDerWaalsContact O-CB 3.25Å; A56-V61 WeakPolarHBondContact O-CB 3.29Å; A56-V61 WeakPolarHBondContact O-CG2 3.22Å; A56-V61 PolarHBondContact O-N 3.3Å; A56-V61 VanDerWaalsContact O-N 3.1Å; A56-V64 HydrophobicContact CB-CG2 3.47Å; A56-V64 VanDerWaalsContact CB-CG2 3.47Å; A56-L287 HydrophobicContact CB-CD1 4.03Å; A56-L287 HydrophobicContact CB-CD2 3.81Å
57	K	95.6	Very high	97.8	Very high	76 Å²	76	41 Å²	41	33%	0.33	22%	0.217	S	C	.	.	H	α-helix	trans	-56.2	-49.4	174.8	174.8	58.1	173.7	-158	0	111.6	I53 N54 S59 G60 E102	I53-K57 PolarHBondContact O-N 3.08Å; N54-K57 PolarHBondContact O-N 3.19Å; K57-S59 PolarHBondContact O-N 3.11Å; K57-S59 VanDerWaalsContact O-N 3.15Å; K57-G60 PolarHBondContact O-N 3.03Å; K57-E102 WeakPolarHBondContact CD-O 3.41Å; K57-E102 WeakPolarHBondContact CE-O 3.39Å; K57-E102 HydrophobicContact CG-CB 4.41Å; K57-E102 WeakPolarHBondContact CG-OE2 3.45Å; K57-E102 PolarHBondContact NZ-O 2.92Å
58	S	95.8	Very high	97.8	Very high	110 Å²	110	35.6 Å²	35.6	77%	0.769	19%	0.192	S	C	*	.	H	α-helix	trans	-59.8	-25.7	177.3	-57.3	0	0	0	0	112.7	N54 Q55 A56	N54-S58 WeakPolarHBondContact O-CB 3.22Å; N54-S58 PolarHBondContact O-N 3.44Å; N54-S58 PolarHBondContact O-OG 3.42Å; Q55-S58 PolarHBondContact O-N 3.33Å; A56-S58 VanDerWaalsContact C-N 3.35Å; A56-S58 PolarHBondContact O-N 2.7Å
59	S	95.6	Very high	97.8	Very high	44 Å²	44	34.3 Å²	34.3	31%	0.308	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	2.7	179.5	-57.5	0	0	0	0	114.1	K30 Q55 A56 K57	K30-S59 VanDerWaalsContact CD-O 3.28Å; K30-S59 WeakPolarHBondContact CD-O 3.37Å; K30-S59 WeakPolarHBondContact CE-O 3.36Å; K30-S59 PolarHBondContact NZ-O 2.85Å; Q55-S59 WeakPolarHBondContact O-CB 3.42Å; Q55-S59 PolarHBondContact O-N 2.94Å; Q55-S59 PolarHBondContact O-OG 3.45Å; A56-S59 CarbonylContact O-C 3.57Å; A56-S59 WeakPolarHBondContact O-CA 3.44Å; A56-S59 WeakPolarHBondContact O-CB 3.22Å; A56-S59 PolarHBondContact O-N 3.42Å; K57-S59 PolarHBondContact O-N 3.11Å; K57-S59 VanDerWaalsContact O-N 3.15Å
60	G	95.5	Very high	97.8	Very high	37 Å²	37	34.3 Å²	34.3	38%	0.381	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	11.6	-179.8	0	0	0	0	0	115.1	A56 K57	A56-G60 PolarHBondContact O-N 3.13Å; K57-G60 PolarHBondContact O-N 3.03Å
61	V	98	Very high	97.8	Very high	3 Å²	3	33 Å²	33	2%	0.018	18%	0.178	C	C	.	.			trans	-59.3	144.9	174.7	172	0	0	0	0	110.2	K30 A56 I63 V64 L104 T289	K30-V61 HydrophobicContact CD-CG2 4.42Å; K30-V61 HydrophobicContact CG-CG2 4.14Å; K30-V61 WeakPolarHBondContact O-CA 3.45Å; A56-V61 HydrophobicContact CB-CB 3.89Å; A56-V61 HydrophobicContact CB-CG1 4.14Å; A56-V61 HydrophobicContact CB-CG2 3.9Å; A56-V61 VanDerWaalsContact O-CB 3.25Å; A56-V61 WeakPolarHBondContact O-CB 3.29Å; A56-V61 WeakPolarHBondContact O-CG2 3.22Å; A56-V61 PolarHBondContact O-N 3.3Å; A56-V61 VanDerWaalsContact O-N 3.1Å; V61-I63 WeakPolarHBondContact CG1-O 3.37Å; V61-V64 HydrophobicContact CG1-CG2 3.9Å; V61-L104 HydrophobicContact CG1-CD1 4.24Å; V61-L104 WeakPolarHBondContact O-CD1 3.43Å; V61-T289 HydrophobicContact CG2-CG2 3.95Å
62	K	97.1	Very high	97.8	Very high	118 Å²	118	27.2 Å²	27.2	51%	0.513	15%	0.153	S	C	.	.	S	Bend	trans	-107.9	-23	177.5	-56.9	-57.9	-178.2	-176.5	0	114.1	T29 K30 L104 W105 P187	T29-K62 HydrophobicContact CG2-CB 3.76Å; T29-K62 HydrophobicContact CG2-CG 4.04Å; K30-K62 PolarHBondContact O-N 2.86Å; K62-L104 WeakPolarHBondContact O-CD1 3.15Å; K62-W105 PolarHBondContact O-N 3.02Å; K62-W105 VanDerWaalsContact O-N 3.13Å; K62-P187 HydrophobicContact CB-CB 3.83Å; K62-P187 HydrophobicContact CB-CG 4.32Å
63	I	98.6	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	135.2	174.1	-177.1	164.6	0	0	0	110.4	V31 G32 V61 F65 W105 V188 L191	V31-I63 HydrophobicContact CB-CG2 4.3Å; V31-I63 HydrophobicContact CG1-CG2 3.71Å; G32-I63 PolarHBondContact N-O 3.35Å; V61-I63 WeakPolarHBondContact CG1-O 3.37Å; I63-F65 HydrophobicContact CB-CE2 4.47Å; I63-F65 HydrophobicContact CD1-CE1 4.35Å; I63-F65 HydrophobicContact CD1-CE2 4.29Å; I63-F65 HydrophobicContact CD1-CZ 3.89Å; I63-F65 HydrophobicContact CG1-CE2 4.04Å; I63-F65 HydrophobicContact CG1-CZ 4.14Å; I63-F65 HydrophobicContact CG2-CE2 3.72Å; I63-F65 HydrophobicContact CG2-CZ 4.2Å; I63-W105 CarbonylContact C-O 3.54Å; I63-W105 VanDerWaalsContact CA-O 3.26Å; I63-W105 WeakPolarHBondContact CA-O 3.43Å; I63-W105 HydrophobicContact CB-CB 3.81Å; I63-W105 HydrophobicContact CD1-CB 3.97Å; I63-W105 HydrophobicContact CG1-CB 3.73Å; I63-V188 HydrophobicContact CG2-CG1 3.55Å; I63-L191 HydrophobicContact CD1-CD2 4.11Å
64	V	98.8	Very high	97.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.6	173.7	167	0	0	0	0	110.2	G32 V34 I53 A56 V61 L66 L104 W105 I106 S107	G32-V64 CarbonylContact O-C 3.54Å; G32-V64 VanDerWaalsContact O-CA 3.28Å; G32-V64 WeakPolarHBondContact O-CA 3.41Å; V34-V64 HydrophobicContact CG2-CG1 3.68Å; I53-V64 HydrophobicContact CG1-CG1 3.97Å; A56-V64 HydrophobicContact CB-CG2 3.47Å; A56-V64 VanDerWaalsContact CB-CG2 3.47Å; V61-V64 HydrophobicContact CG1-CG2 3.9Å; V64-L66 HydrophobicContact CG1-CD2 3.86Å; V64-L66 HydrophobicContact CG1-CG 4.48Å; V64-L104 HydrophobicContact CB-CD2 4.26Å; V64-L104 HydrophobicContact CG2-CD2 3.66Å; V64-W105 PolarHBondContact N-O 3.17Å; V64-I106 CarbonylContact O-C 3.46Å; V64-I106 WeakPolarHBondContact O-CA 3.49Å; V64-S107 PolarHBondContact O-N 3.27Å
65	F	98.9	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.8	174.9	-63.3	-94.3	0	0	0	109.4	V31 G32 V34 I63 S107 V188 L191 V249 A251	V31-F65 HydrophobicContact CB-CE2 4.12Å; V31-F65 HydrophobicContact CG1-CE2 4.17Å; G32-F65 PolarHBondContact O-N 3.04Å; V34-F65 PolarHBondContact N-O 3.15Å; I63-F65 HydrophobicContact CB-CE2 4.47Å; I63-F65 HydrophobicContact CD1-CE1 4.35Å; I63-F65 HydrophobicContact CD1-CE2 4.29Å; I63-F65 HydrophobicContact CD1-CZ 3.89Å; I63-F65 HydrophobicContact CG1-CE2 4.04Å; I63-F65 HydrophobicContact CG1-CZ 4.14Å; I63-F65 HydrophobicContact CG2-CE2 3.72Å; I63-F65 HydrophobicContact CG2-CZ 4.2Å; F65-S107 WeakPolarHBondContact CD1-OG 3.38Å; F65-V188 HydrophobicContact CZ-CG2 4.42Å; F65-L191 HydrophobicContact CE1-CD1 3.92Å; F65-L191 HydrophobicContact CE1-CD2 3.94Å; F65-L191 HydrophobicContact CZ-CD1 4.25Å; F65-L191 HydrophobicContact CZ-CD2 4.35Å; F65-V249 HydrophobicContact CB-CG1 4.03Å; F65-V249 HydrophobicContact CD1-CB 4.46Å; F65-V249 HydrophobicContact CD1-CG1 3.92Å; F65-V249 HydrophobicContact CD2-CG1 3.67Å; F65-V249 HydrophobicContact CE1-CB 4.43Å; F65-V249 HydrophobicContact CE1-CG1 4.3Å; F65-V249 HydrophobicContact CE2-CG1 4.05Å; F65-V249 HydrophobicContact CE2-CG2 4.34Å; F65-V249 HydrophobicContact CG-CG1 3.6Å; F65-V249 HydrophobicContact CZ-CB 4.48Å; F65-V249 HydrophobicContact CZ-CG1 4.35Å; F65-V249 HydrophobicContact CZ-CG2 4.36Å; F65-A251 HydrophobicContact CB-CB 4.2Å
66	L	98.9	Very high	96.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.			trans	-97.1	150.7	171.3	-57.3	-171.6	0	0	0	109.9	V34 M36 A49 V64 F70 Y95 I106 S107 L108 G109 P220	V34-L66 HydrophobicContact CB-CD2 3.75Å; V34-L66 HydrophobicContact CG1-CD2 4.25Å; V34-L66 HydrophobicContact CG2-CD2 3.76Å; M36-L66 HydrophobicContact SD-CD2 4.29Å; A49-L66 HydrophobicContact CB-CD1 4.15Å; V64-L66 HydrophobicContact CG1-CD2 3.86Å; V64-L66 HydrophobicContact CG1-CG 4.48Å; L66-F70 HydrophobicContact CB-CB 3.97Å; L66-F70 HydrophobicContact CB-CG 4.21Å; L66-F70 HydrophobicContact CD1-CB 4.25Å; L66-F70 HydrophobicContact CD1-CD2 3.96Å; L66-F70 HydrophobicContact CD1-CG 4.12Å; L66-Y95 HydrophobicContact CD1-CD1 4.47Å; L66-Y95 HydrophobicContact CD1-CE1 3.64Å; L66-I106 HydrophobicContact CD1-CG2 4.49Å; L66-I106 HydrophobicContact CG-CG2 4.5Å; L66-S107 PolarHBondContact N-O 3.34Å; L66-L108 HydrophobicContact CD1-CD2 3.71Å; L66-L108 HydrophobicContact CG-CD2 4.48Å; L66-G109 VanDerWaalsContact O-CA 3.28Å; L66-G109 WeakPolarHBondContact O-CA 3.3Å; L66-G109 PolarHBondContact O-N 3.37Å; L66-P220 WeakPolarHBondContact O-CB 3.42Å
67	P	98.9	Very high	96.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.			trans	-74.8	174.3	179.7	32.1	-35.5	0	0	0	112.5	V34 M36 F70 A251 A252 Q253	V34-P67 WeakPolarHBondContact O-CD 3.17Å; M36-P67 HydrophobicContact CB-CG 3.82Å; M36-P67 HydrophobicContact CG-CG 3.95Å; M36-P67 HydrophobicContact SD-CG 4.19Å; P67-F70 WeakPolarHBondContact O-CB 3.26Å; P67-F70 WeakPolarHBondContact O-CD1 3.42Å; P67-F70 PolarHBondContact O-N 2.99Å; P67-A251 HydrophobicContact CB-CB 4.18Å; P67-A251 WeakPolarHBondContact CB-O 3.05Å; P67-A252 VanDerWaalsContact CB-C 3.41Å; P67-Q253 HydrophobicContact CB-CG 4.14Å; P67-Q253 HydrophobicContact CG-CG 4.18Å
68	E	98.6	Very high	96.7	Very high	7 Å²	7	37.5 Å²	37.5	3%	0.033	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	149.1	166.4	-178.2	-177	-146.3	0	0	109.8	F70 N124 K141 I195 C196 A222 Q253	E68-F70 PolarHBondContact O-N 3.03Å; E68-N124 PolarHBondContact OE1-ND2 2.9Å; E68-K141 IonicContact OE1-NZ 3.87Å; E68-K141 PolarHBondContact OE1-NZ 3.46Å; E68-I195 HydrophobicContact CB-CG2 4.08Å; E68-I195 HydrophobicContact CG-CG2 3.8Å; E68-I195 WeakPolarHBondContact OE1-CG2 3.2Å; E68-C196 WeakPolarHBondContact OE2-CB 3.47Å; E68-C196 PolarHBondContact OE2-SG 3.39Å; E68-C196 VanDerWaalsContact OE2-SG 3.33Å; E68-A222 HydrophobicContact CB-CB 4.45Å; E68-A222 HydrophobicContact CG-CB 4.47Å; E68-A222 PolarHBondContact OE2-N 3.48Å; E68-Q253 WeakPolarHBondContact O-CG 3.35Å; E68-Q253 PolarHBondContact O-NE2 2.91Å
69	C	98.2	Very high	96.7	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.02	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	26.5	-177.3	-57.2	0	0	0	0	113.9	S38 D71 F72 V73 G110 Q253 R261	S38-C69 WeakPolarHBondContact CB-O 3.48Å; S38-C69 PolarHBondContact OG-O 3.45Å; C69-D71 WeakPolarHBondContact CA-OD1 3.26Å; C69-D71 PolarHBondContact O-N 3.38Å; C69-F72 WeakPolarHBondContact CB-O 3.44Å; C69-F72 PolarHBondContact O-N 3.44Å; C69-V73 HydrophobicContact CB-CG2 3.71Å; C69-G110 PolarHBondContact N-O 2.99Å; C69-Q253 PolarHBondContact O-NE2 2.86Å; C69-R261 PolarHBondContact SG-NH2 3.16Å
70	F	98.6	Very high	96.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-59.7	-26.9	173.9	72.8	-87.3	0	0	0	111.8	M36 L66 P67 E68 I92 Y95 L108 A111	M36-F70 HydrophobicContact SD-CB 3.93Å; L66-F70 HydrophobicContact CB-CB 3.97Å; L66-F70 HydrophobicContact CB-CG 4.21Å; L66-F70 HydrophobicContact CD1-CB 4.25Å; L66-F70 HydrophobicContact CD1-CD2 3.96Å; L66-F70 HydrophobicContact CD1-CG 4.12Å; P67-F70 WeakPolarHBondContact O-CB 3.26Å; P67-F70 WeakPolarHBondContact O-CD1 3.42Å; P67-F70 PolarHBondContact O-N 2.99Å; E68-F70 PolarHBondContact O-N 3.03Å; F70-I92 HydrophobicContact CZ-CD1 4.48Å; F70-Y95 AromaticContact CD2-CE2 3.81Å; F70-Y95 HydrophobicContact CD2-CE2 3.81Å; F70-Y95 AromaticContact CD2-CZ 3.75Å; F70-Y95 WeakPolarHBondContact CD2-OH 3.5Å; F70-Y95 AromaticContact CE2-CD2 3.94Å; F70-Y95 HydrophobicContact CE2-CD2 3.94Å; F70-Y95 AromaticContact CE2-CE2 3.37Å; F70-Y95 HydrophobicContact CE2-CE2 3.37Å; F70-Y95 AromaticContact CE2-CZ 3.78Å; F70-L108 HydrophobicContact CD1-CB 4.39Å; F70-L108 HydrophobicContact CD2-CD2 4.39Å; F70-L108 HydrophobicContact CE1-CB 3.59Å; F70-L108 HydrophobicContact CE1-CD2 4.45Å; F70-L108 HydrophobicContact CE1-CG 4.47Å; F70-L108 HydrophobicContact CE2-CB 4.45Å; F70-L108 HydrophobicContact CE2-CD1 4.44Å; F70-L108 HydrophobicContact CE2-CD2 3.91Å; F70-L108 HydrophobicContact CZ-CB 3.64Å; F70-L108 HydrophobicContact CZ-CD1 3.97Å; F70-L108 HydrophobicContact CZ-CD2 3.94Å; F70-L108 HydrophobicContact CZ-CG 4.06Å; F70-A111 HydrophobicContact CE1-CB 3.75Å; F70-A111 HydrophobicContact CZ-CB 3.77Å
71	D	98.2	Very high	96.7	Very high	5 Å²	5	33 Å²	33	3%	0.027	15%	0.152	C	C	.	.	S	Bend	trans	-71.1	-58.6	176.3	57.2	-17.5	0	0	0	111	N45 C69 L91 H112	N45-D71 PolarHBondContact ND2-O 3.33Å; C69-D71 WeakPolarHBondContact CA-OD1 3.26Å; C69-D71 PolarHBondContact O-N 3.38Å; D71-L91 HydrophobicContact CB-CD2 3.43Å; D71-L91 VanDerWaalsContact CB-CD2 3.43Å; D71-H112 IonicContact OD1-CE1 3.98Å; D71-H112 IonicContact OD1-ND1 3.73Å; D71-H112 PolarHBondContact OD1-ND1 2.95Å; D71-H112 VanDerWaalsContact OD1-ND1 3.1Å; D71-H112 WeakPolarHBondContact OD2-CB 3.28Å; D71-H112 IonicContact OD2-CG 3.77Å; D71-H112 PolarHBondContact OD2-N 2.83Å; D71-H112 IonicContact OD2-ND1 2.79Å; D71-H112 PolarHBondContact OD2-ND1 2.92Å
72	F	98.4	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.			trans	-165.4	162.6	176.1	62.2	-88.7	0	0	0	113.4	T39 K42 N45 C69 T80 L83 H112	T39-F72 CarbonylContact O-C 3.56Å; T39-F72 VanDerWaalsContact O-CA 3.26Å; T39-F72 WeakPolarHBondContact O-CA 3.24Å; T39-F72 WeakPolarHBondContact O-CB 3.36Å; K42-F72 HydrophobicContact CD-CD1 4.17Å; K42-F72 HydrophobicContact CG-CB 4.09Å; K42-F72 HydrophobicContact CG-CD1 4.11Å; K42-F72 HydrophobicContact CG-CG 4.4Å; N45-F72 WeakPolarHBondContact ND2-CA 3.4Å; C69-F72 WeakPolarHBondContact CB-O 3.44Å; C69-F72 PolarHBondContact O-N 3.44Å; F72-T80 HydrophobicContact CE2-CG2 4.03Å; F72-T80 HydrophobicContact CZ-CG2 4.41Å; F72-L83 HydrophobicContact CB-CD1 4.46Å; F72-L83 HydrophobicContact CD1-CB 4.07Å; F72-L83 HydrophobicContact CD2-CB 4.1Å; F72-L83 HydrophobicContact CD2-CD1 3.81Å; F72-L83 HydrophobicContact CE1-CB 3.79Å; F72-L83 HydrophobicContact CE2-CB 3.85Å; F72-L83 HydrophobicContact CE2-CD1 4.23Å; F72-L83 HydrophobicContact CG-CB 4.22Å; F72-L83 HydrophobicContact CG-CD1 4.07Å; F72-L83 HydrophobicContact CZ-CB 3.67Å; F72-H112 HydrophobicContact CE1-CB 3.88Å; F72-H112 AromaticContact CE1-ND1 3.76Å; F72-H112 AromaticContact CE2-ND1 3.84Å; F72-H112 HydrophobicContact CZ-CB 3.59Å; F72-H112 AromaticContact CZ-CG 3.54Å; F72-H112 AromaticContact CZ-ND1 3.55Å; F72-H112 PolarHBondContact O-CE1 2.9Å; F72-H112 VanDerWaalsContact O-CE1 3.3Å
73	V	96.7	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.			trans	-118.6	100.4	168.3	176	0	0	0	0	108.7	T39 A40 C69 H257 R261	T39-V73 CarbonylContact C-O 3.49Å; T39-V73 PolarHBondContact O-N 2.95Å; A40-V73 PolarHBondContact N-O 3.17Å; C69-V73 HydrophobicContact CB-CG2 3.71Å; V73-H257 HydrophobicContact CB-CB 4.01Å; V73-H257 HydrophobicContact CG1-CB 3.66Å; V73-H257 HydrophobicContact CG2-CB 4.25Å; V73-R261 HydrophobicContact CG1-CB 4.5Å; V73-R261 HydrophobicContact CG1-CG 4.2Å
74	G	93.5	Very high	96.4	Very high	10 Å²	10	32.3 Å²	32.3	10%	0.103	17%	0.166	C	C	.	.			trans	-68.7	151.2	179.8	0	0	0	0	0	113.1
75	R	91.9	Very high	96.2	Very high	181 Å²	181	34.3 Å²	34.3	68%	0.683	18%	0.176	S	C	*	.	S	Bend	trans	-91.5	-25.8	178.7	-59.3	170.5	-76.7	-177.6	-3.7	112.6	E79 N258	R75-E79 WeakPolarHBondContact CA-OE2 3.49Å; R75-E79 WeakPolarHBondContact CB-OE2 3.47Å; R75-E79 VanDerWaalsContact CG-OE2 3.24Å; R75-E79 WeakPolarHBondContact CG-OE2 3.21Å; R75-E79 IonicContact CZ-OE1 2.65Å; R75-E79 IonicContact CZ-OE2 2.81Å; R75-E79 PolarHBondContact N-OE2 3.05Å; R75-E79 IonicContact NE-OE1 2.84Å; R75-E79 PolarHBondContact NE-OE1 3.22Å; R75-E79 IonicContact NE-OE2 3.47Å; R75-E79 PolarHBondContact NE-OE2 2.89Å; R75-E79 IonicContact NH2-OE1 3.7Å; R75-E79 PolarHBondContact NH2-OE1 3.03Å; R75-N258 HydrophobicContact CG-CB 4.31Å
76	S	92.1	Very high	96.1	Very high	49 Å²	49	38 Å²	38	34%	0.343	19%	0.194	S	C	.	.	S	Bend	trans	-140.5	169.5	174.2	87.7	0	0	0	0	111.1	E78 E79 T80	S76-E78 VanDerWaalsContact C-N 3.33Å; S76-E78 WeakPolarHBondContact CB-OE2 3.43Å; S76-E78 PolarHBondContact OG-N 3.14Å; S76-E78 PolarHBondContact OG-OE2 2.97Å; S76-E79 PolarHBondContact O-N 2.8Å; S76-E79 PolarHBondContact OG-N 2.96Å; S76-T80 WeakPolarHBondContact O-CB 3.4Å; S76-T80 PolarHBondContact O-N 3.5Å; S76-T80 PolarHBondContact O-OG1 2.91Å
77	R	93.3	Very high	96	Very high	95 Å²	95	40.8 Å²	40.8	36%	0.358	21%	0.209	S	C	.	.	H	α-helix	trans	-61.1	-44.3	173.8	175.8	171.4	178.2	-81.3	-3.8	111.2	E79 T80 L81 G120 K171 T172	R77-E79 PolarHBondContact O-N 2.84Å; R77-T80 WeakPolarHBondContact O-CB 3.36Å; R77-T80 PolarHBondContact O-N 2.67Å; R77-L81 HydrophobicContact CG-CD1 4.07Å; R77-L81 HydrophobicContact CG-CG 4.48Å; R77-L81 WeakPolarHBondContact O-CG 3.28Å; R77-L81 PolarHBondContact O-N 2.9Å; R77-G120 PolarHBondContact NH2-O 2.94Å; R77-K171 WeakPolarHBondContact CD-O 3.48Å; R77-K171 PolarHBondContact NE-O 3.41Å; R77-T172 HydrophobicContact CG-CG2 4.02Å; R77-T172 WeakPolarHBondContact CG-OG1 3.45Å
78	E	94.4	Very high	95.8	Very high	126 Å²	126	46.4 Å²	46.4	59%	0.589	24%	0.239	S	C	*	.	H	α-helix	trans	-62.1	-44.1	-179.5	-59.2	66.8	-141.8	0	0	110.8	S76 T80 L81 G82	S76-E78 VanDerWaalsContact C-N 3.33Å; S76-E78 WeakPolarHBondContact CB-OE2 3.43Å; S76-E78 PolarHBondContact OG-N 3.14Å; S76-E78 PolarHBondContact OG-OE2 2.97Å; E78-T80 VanDerWaalsContact C-N 3.35Å; E78-L81 PolarHBondContact O-N 2.93Å; E78-G82 PolarHBondContact O-N 2.82Å
79	E	95.9	Very high	95.8	Very high	41 Å²	41	46.5 Å²	46.5	19%	0.192	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-41.3	174.7	179.9	172.1	-118.8	0	0	111.5	R75 S76 R77 L81 G82 L83	R75-E79 WeakPolarHBondContact CA-OE2 3.49Å; R75-E79 WeakPolarHBondContact CB-OE2 3.47Å; R75-E79 VanDerWaalsContact CG-OE2 3.24Å; R75-E79 WeakPolarHBondContact CG-OE2 3.21Å; R75-E79 IonicContact CZ-OE1 2.65Å; R75-E79 IonicContact CZ-OE2 2.81Å; R75-E79 PolarHBondContact N-OE2 3.05Å; R75-E79 IonicContact NE-OE1 2.84Å; R75-E79 PolarHBondContact NE-OE1 3.22Å; R75-E79 IonicContact NE-OE2 3.47Å; R75-E79 PolarHBondContact NE-OE2 2.89Å; R75-E79 IonicContact NH2-OE1 3.7Å; R75-E79 PolarHBondContact NH2-OE1 3.03Å; S76-E79 PolarHBondContact O-N 2.8Å; S76-E79 PolarHBondContact OG-N 2.96Å; R77-E79 PolarHBondContact O-N 2.84Å; E79-L81 PolarHBondContact O-N 3.26Å; E79-G82 PolarHBondContact O-N 2.79Å; E79-L83 HydrophobicContact CG-CD1 3.65Å; E79-L83 HydrophobicContact CG-CG 4.11Å; E79-L83 WeakPolarHBondContact O-CB 3.38Å; E79-L83 VanDerWaalsContact O-CG 3.31Å; E79-L83 WeakPolarHBondContact O-CG 3.32Å; E79-L83 PolarHBondContact O-N 2.88Å
80	T	96.1	Very high	95.7	Very high	16 Å²	16	50.6 Å²	50.6	10%	0.098	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-43.7	179.7	-58.9	0	0	0	0	111.3	F72 S76 R77 E78 S84 L122 T172	F72-T80 HydrophobicContact CE2-CG2 4.03Å; F72-T80 HydrophobicContact CZ-CG2 4.41Å; S76-T80 WeakPolarHBondContact O-CB 3.4Å; S76-T80 PolarHBondContact O-N 3.5Å; S76-T80 PolarHBondContact O-OG1 2.91Å; R77-T80 WeakPolarHBondContact O-CB 3.36Å; R77-T80 PolarHBondContact O-N 2.67Å; E78-T80 VanDerWaalsContact C-N 3.35Å; T80-S84 WeakPolarHBondContact O-CB 3.42Å; T80-S84 PolarHBondContact O-N 3.5Å; T80-L122 HydrophobicContact CG2-CD1 3.94Å; T80-T172 HydrophobicContact CG2-CG2 3.74Å
81	L	95	Very high	95.7	Very high	40 Å²	40	51.3 Å²	51.3	21%	0.209	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-44.5	173.2	-68.4	171.7	0	0	0	111.5	R77 E78 E79 L83 S84 G120 L122 T172	R77-L81 HydrophobicContact CG-CD1 4.07Å; R77-L81 HydrophobicContact CG-CG 4.48Å; R77-L81 WeakPolarHBondContact O-CG 3.28Å; R77-L81 PolarHBondContact O-N 2.9Å; E78-L81 PolarHBondContact O-N 2.93Å; E79-L81 PolarHBondContact O-N 3.26Å; L81-L83 PolarHBondContact O-N 3.37Å; L81-S84 PolarHBondContact O-N 3.03Å; L81-S84 PolarHBondContact O-OG 3.01Å; L81-G120 WeakPolarHBondContact CD2-O 3.15Å; L81-L122 HydrophobicContact CD2-CD1 4.08Å; L81-L122 HydrophobicContact CD2-CD2 3.95Å; L81-L122 HydrophobicContact CD2-CG 3.78Å; L81-T172 HydrophobicContact CD2-CG2 4.45Å; L81-T172 HydrophobicContact CG-CG2 4.48Å
82	G	95.6	Very high	95.7	Very high	56 Å²	56	51.2 Å²	51.2	58%	0.577	27%	0.271	S	S	*	.	H	α-helix	trans	-63.5	-36.7	179.6	0	0	0	0	0	114.2	E78 E79	E78-G82 PolarHBondContact O-N 2.82Å; E79-G82 PolarHBondContact O-N 2.79Å
83	L	96.9	Very high	95.7	Very high	46 Å²	46	54.3 Å²	54.3	24%	0.241	29%	0.29	C	S	.	.	H	α-helix	trans	-84.2	-17.4	-178.8	-69	177.2	0	0	0	114.2	A40 K42 F72 E79 L81	A40-L83 HydrophobicContact CB-CD1 4.31Å; K42-L83 HydrophobicContact CD-CB 4.29Å; K42-L83 HydrophobicContact CD-CD2 4.08Å; K42-L83 HydrophobicContact CG-CD2 4.47Å; K42-L83 PolarHBondContact NZ-O 2.92Å; F72-L83 HydrophobicContact CB-CD1 4.46Å; F72-L83 HydrophobicContact CD1-CB 4.07Å; F72-L83 HydrophobicContact CD2-CB 4.1Å; F72-L83 HydrophobicContact CD2-CD1 3.81Å; F72-L83 HydrophobicContact CE1-CB 3.79Å; F72-L83 HydrophobicContact CE2-CB 3.85Å; F72-L83 HydrophobicContact CE2-CD1 4.23Å; F72-L83 HydrophobicContact CG-CB 4.22Å; F72-L83 HydrophobicContact CG-CD1 4.07Å; F72-L83 HydrophobicContact CZ-CB 3.67Å; E79-L83 HydrophobicContact CG-CD1 3.65Å; E79-L83 HydrophobicContact CG-CG 4.11Å; E79-L83 WeakPolarHBondContact O-CB 3.38Å; E79-L83 VanDerWaalsContact O-CG 3.31Å; E79-L83 WeakPolarHBondContact O-CG 3.32Å; E79-L83 PolarHBondContact O-N 2.88Å; L81-L83 PolarHBondContact O-N 3.37Å
84	S	96.1	Very high	95.8	Very high	3 Å²	3	58 Å²	58	2%	0.021	31%	0.306	C	S	.	.			trans	-65.5	151.8	-179.5	71.2	0	0	0	0	113.2	T80 L81 R114 L122	T80-S84 WeakPolarHBondContact O-CB 3.42Å; T80-S84 PolarHBondContact O-N 3.5Å; L81-S84 PolarHBondContact O-N 3.03Å; L81-S84 PolarHBondContact O-OG 3.01Å; S84-R114 PolarHBondContact O-NE 2.9Å; S84-R114 PolarHBondContact O-NH2 2.9Å; S84-R114 VanDerWaalsContact OG-CG 3.26Å; S84-R114 WeakPolarHBondContact OG-CG 3.34Å; S84-R114 PolarHBondContact OG-NE 3.48Å; S84-L122 VanDerWaalsContact CB-CD1 3.46Å; S84-L122 VanDerWaalsContact OG-CD2 3.27Å; S84-L122 WeakPolarHBondContact OG-CD2 3.27Å
85	E	95.1	Very high	96.1	Very high	43 Å²	43	57.5 Å²	57.5	20%	0.201	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-131.1	167.2	-179.6	-68.2	179	-163.6	0	0	111.3	K42 P90 L91 I113 R114	K42-E85 IonicContact NZ-OE1 3.21Å; K42-E85 PolarHBondContact NZ-OE1 3.15Å; E85-P90 VanDerWaalsContact OE2-CD 3.26Å; E85-P90 WeakPolarHBondContact OE2-CD 3.31Å; E85-P90 VanDerWaalsContact OE2-N 3.17Å; E85-L91 VanDerWaalsContact OE2-CB 3.31Å; E85-L91 WeakPolarHBondContact OE2-CB 3.25Å; E85-L91 PolarHBondContact OE2-N 2.85Å; E85-I113 CarbonylContact O-C 3.56Å; E85-I113 WeakPolarHBondContact O-CA 3.43Å; E85-R114 PolarHBondContact O-N 2.86Å
86	M	96.1	Very high	96.4	Very high	77 Å²	77	53.4 Å²	53.4	38%	0.379	29%	0.286	S	S	.	.			trans	-74.3	166	168.1	-63.3	-64.4	-73.3	0	0	110.6	D88 G89 R114 T116	M86-D88 WeakPolarHBondContact CB-OD1 3.31Å; M86-D88 PolarHBondContact O-N 2.88Å; M86-G89 WeakPolarHBondContact O-CA 3.3Å; M86-G89 PolarHBondContact O-N 3.28Å; M86-R114 HydrophobicContact SD-CB 3.55Å; M86-R114 VanDerWaalsContact SD-CB 3.55Å; M86-T116 HydrophobicContact CE-CG2 4.34Å
87	L	96.4	Very high	96.7	Very high	59 Å²	59	53.9 Å²	53.9	31%	0.309	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.1	178.1	-176.4	63.9	0	0	0	113.2	I92 I113 I127 I135 V138	L87-I92 VanDerWaalsContact O-CB 3.28Å; L87-I92 WeakPolarHBondContact O-CB 3.34Å; L87-I92 WeakPolarHBondContact O-CG2 3.1Å; L87-I113 HydrophobicContact CB-CG2 4.25Å; L87-I127 HydrophobicContact CD1-CD1 3.56Å; L87-I127 HydrophobicContact CD1-CG1 4.07Å; L87-I135 HydrophobicContact CD1-CD1 4.02Å; L87-I135 HydrophobicContact CD2-CD1 4.32Å; L87-I135 HydrophobicContact CG-CD1 3.99Å; L87-V138 HydrophobicContact CD1-CG2 4.03Å; L87-V138 HydrophobicContact CD2-CG2 3.94Å
88	D	95.8	Very high	96.9	Very high	118 Å²	118	50 Å²	50	63%	0.631	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	12.5	174.8	62.2	-14.7	0	0	0	113.1	M86 T93	M86-D88 WeakPolarHBondContact CB-OD1 3.31Å; M86-D88 PolarHBondContact O-N 2.88Å; D88-T93 PolarHBondContact O-OG1 3.12Å
89	G	96.9	Very high	97.1	Very high	8 Å²	8	44 Å²	44	8%	0.082	25%	0.25	C	S	.	.	S	Bend	trans	-65.4	171.1	-179.5	0	0	0	0	0	114.4	M86 L91 I92 T93	M86-G89 WeakPolarHBondContact O-CA 3.3Å; M86-G89 PolarHBondContact O-N 3.28Å; G89-L91 VanDerWaalsContact C-N 3.34Å; G89-L91 PolarHBondContact O-N 3.4Å; G89-I92 PolarHBondContact O-N 3.27Å; G89-T93 WeakPolarHBondContact O-CB 3.35Å; G89-T93 PolarHBondContact O-N 2.97Å; G89-T93 PolarHBondContact O-OG1 2.97Å
90	P	97.7	Very high	97.2	Very high	90 Å²	90	44 Å²	44	58%	0.584	26%	0.258	S	S	*	.	H	α-helix	trans	-51.7	-44	-178.9	-29.2	34.9	0	0	0	114.8	E85 T93 K94	E85-P90 VanDerWaalsContact OE2-CD 3.26Å; E85-P90 WeakPolarHBondContact OE2-CD 3.31Å; E85-P90 VanDerWaalsContact OE2-N 3.17Å; P90-T93 PolarHBondContact O-N 3.3Å; P90-K94 WeakPolarHBondContact O-CG 3.22Å; P90-K94 PolarHBondContact O-N 3.4Å
91	L	98.1	Very high	97.3	Very high	14 Å²	14	49.9 Å²	49.9	7%	0.073	28%	0.284	C	S	.	.	H	α-helix	trans	-68.8	-48.4	-175.5	-176.3	64.6	0	0	0	111.9	F46 D71 E85 G89 T93 K94 Y95	F46-L91 HydrophobicContact CB-CD1 4.35Å; F46-L91 HydrophobicContact CD2-CD1 3.94Å; F46-L91 HydrophobicContact CG-CD1 4.4Å; D71-L91 HydrophobicContact CB-CD2 3.43Å; D71-L91 VanDerWaalsContact CB-CD2 3.43Å; E85-L91 VanDerWaalsContact OE2-CB 3.31Å; E85-L91 WeakPolarHBondContact OE2-CB 3.25Å; E85-L91 PolarHBondContact OE2-N 2.85Å; G89-L91 VanDerWaalsContact C-N 3.34Å; G89-L91 PolarHBondContact O-N 3.4Å; L91-T93 VanDerWaalsContact C-N 3.26Å; L91-T93 PolarHBondContact O-N 3.01Å; L91-K94 WeakPolarHBondContact O-CB 3.26Å; L91-K94 PolarHBondContact O-N 2.9Å; L91-K94 VanDerWaalsContact O-N 3.16Å; L91-Y95 HydrophobicContact CD1-CD2 4.2Å; L91-Y95 HydrophobicContact CD1-CE2 3.75Å; L91-Y95 HydrophobicContact CG-CD2 4.14Å; L91-Y95 HydrophobicContact CG-CE2 3.97Å; L91-Y95 WeakPolarHBondContact O-CD2 3.3Å; L91-Y95 PolarHBondContact O-N 2.93Å; L91-Y95 VanDerWaalsContact O-N 3.07Å
92	I	98.3	Very high	97.4	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-36.6	177.7	-57.6	-57.6	0	0	0	110	F70 L87 G89 K94 Y95 R96 L108 A111 I113 I127 I135	F70-I92 HydrophobicContact CZ-CD1 4.48Å; L87-I92 VanDerWaalsContact O-CB 3.28Å; L87-I92 WeakPolarHBondContact O-CB 3.34Å; L87-I92 WeakPolarHBondContact O-CG2 3.1Å; G89-I92 PolarHBondContact O-N 3.27Å; I92-K94 PolarHBondContact O-N 3.2Å; I92-Y95 PolarHBondContact O-N 3.09Å; I92-R96 HydrophobicContact CG2-CG 4.34Å; I92-R96 VanDerWaalsContact O-CG 3.29Å; I92-R96 WeakPolarHBondContact O-CG 3.32Å; I92-R96 PolarHBondContact O-N 3.37Å; I92-L108 HydrophobicContact CD1-CD1 3.83Å; I92-A111 HydrophobicContact CD1-CB 4.27Å; I92-I113 HydrophobicContact CD1-CD1 4.46Å; I92-I113 HydrophobicContact CG1-CD1 4.25Å; I92-I127 HydrophobicContact CD1-CD1 3.77Å; I92-I127 HydrophobicContact CG1-CD1 4.39Å; I92-I135 HydrophobicContact CG2-CD1 4.26Å
93	T	98.5	Very high	97.5	Very high	65 Å²	65	50.5 Å²	50.5	40%	0.399	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-43	172.8	-63.1	0	0	0	0	112.2	D88 G89 P90 L91 Y95 R96 A97	D88-T93 PolarHBondContact O-OG1 3.12Å; G89-T93 WeakPolarHBondContact O-CB 3.35Å; G89-T93 PolarHBondContact O-N 2.97Å; G89-T93 PolarHBondContact O-OG1 2.97Å; P90-T93 PolarHBondContact O-N 3.3Å; L91-T93 VanDerWaalsContact C-N 3.26Å; L91-T93 PolarHBondContact O-N 3.01Å; T93-Y95 PolarHBondContact O-N 3.35Å; T93-R96 PolarHBondContact O-N 3.02Å; T93-A97 PolarHBondContact O-N 2.89Å
94	K	98.5	Very high	97.5	Very high	77 Å²	77	48.4 Å²	48.4	34%	0.335	27%	0.268	S	S	.	.	H	α-helix	trans	-59.3	-45	173.3	-74.1	-178.4	176.9	-170.4	0	111.8	E43 F46 P90 L91 I92 A97 L98	E43-K94 VanDerWaalsContact CD-NZ 3.31Å; E43-K94 IonicContact OE1-NZ 2.57Å; E43-K94 PolarHBondContact OE1-NZ 2.7Å; E43-K94 IonicContact OE2-NZ 3.62Å; E43-K94 PolarHBondContact OE2-NZ 3.38Å; F46-K94 HydrophobicContact CD1-CD 4.17Å; F46-K94 HydrophobicContact CD2-CB 4.46Å; F46-K94 HydrophobicContact CD2-CD 4.47Å; F46-K94 HydrophobicContact CE1-CB 4.45Å; F46-K94 HydrophobicContact CE1-CD 3.89Å; F46-K94 HydrophobicContact CE2-CB 3.65Å; F46-K94 HydrophobicContact CE2-CD 4.22Å; F46-K94 HydrophobicContact CG-CD 4.46Å; F46-K94 HydrophobicContact CZ-CB 3.65Å; F46-K94 HydrophobicContact CZ-CD 3.93Å; F46-K94 HydrophobicContact CZ-CG 4.26Å; P90-K94 WeakPolarHBondContact O-CG 3.22Å; P90-K94 PolarHBondContact O-N 3.4Å; L91-K94 WeakPolarHBondContact O-CB 3.26Å; L91-K94 PolarHBondContact O-N 2.9Å; L91-K94 VanDerWaalsContact O-N 3.16Å; I92-K94 PolarHBondContact O-N 3.2Å; K94-A97 PolarHBondContact O-N 3.5Å; K94-L98 WeakPolarHBondContact O-CB 3.5Å; K94-L98 PolarHBondContact O-N 2.85Å
95	Y	98.7	Very high	97.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-35.3	177.7	-81.7	-72.6	0	0	0	113.5	F46 A49 I53 L66 F70 L91 I92 T93 L98 A99 L108	F46-Y95 HydrophobicContact CD2-CD2 4.32Å; F46-Y95 HydrophobicContact CD2-CE1 4.28Å; F46-Y95 AromaticContact CD2-CE2 3.73Å; F46-Y95 HydrophobicContact CD2-CE2 3.73Å; F46-Y95 AromaticContact CD2-CZ 3.73Å; F46-Y95 HydrophobicContact CE2-CD1 4.4Å; F46-Y95 HydrophobicContact CE2-CD2 4.28Å; F46-Y95 HydrophobicContact CE2-CE1 4.25Å; F46-Y95 HydrophobicContact CE2-CE2 4.11Å; F46-Y95 HydrophobicContact CE2-CG 4.42Å; A49-Y95 HydrophobicContact CB-CE1 4.04Å; A49-Y95 WeakPolarHBondContact CB-OH 3.5Å; I53-Y95 HydrophobicContact CD1-CD1 4.44Å; I53-Y95 HydrophobicContact CD1-CE1 4.08Å; L66-Y95 HydrophobicContact CD1-CD1 4.47Å; L66-Y95 HydrophobicContact CD1-CE1 3.64Å; F70-Y95 AromaticContact CD2-CE2 3.81Å; F70-Y95 HydrophobicContact CD2-CE2 3.81Å; F70-Y95 AromaticContact CD2-CZ 3.75Å; F70-Y95 WeakPolarHBondContact CD2-OH 3.5Å; F70-Y95 AromaticContact CE2-CD2 3.94Å; F70-Y95 HydrophobicContact CE2-CD2 3.94Å; F70-Y95 AromaticContact CE2-CE2 3.37Å; F70-Y95 HydrophobicContact CE2-CE2 3.37Å; F70-Y95 AromaticContact CE2-CZ 3.78Å; L91-Y95 HydrophobicContact CD1-CD2 4.2Å; L91-Y95 HydrophobicContact CD1-CE2 3.75Å; L91-Y95 HydrophobicContact CG-CD2 4.14Å; L91-Y95 HydrophobicContact CG-CE2 3.97Å; L91-Y95 WeakPolarHBondContact O-CD2 3.3Å; L91-Y95 PolarHBondContact O-N 2.93Å; L91-Y95 VanDerWaalsContact O-N 3.07Å; I92-Y95 PolarHBondContact O-N 3.09Å; T93-Y95 PolarHBondContact O-N 3.35Å; Y95-L98 HydrophobicContact CD1-CD2 4.36Å; Y95-L98 PolarHBondContact O-N 2.96Å; Y95-A99 WeakPolarHBondContact O-CB 3.43Å; Y95-A99 PolarHBondContact O-N 3.47Å; Y95-L108 HydrophobicContact CD1-CD2 3.68Å; Y95-L108 HydrophobicContact CD2-CD1 4.35Å; Y95-L108 HydrophobicContact CD2-CD2 4.2Å; Y95-L108 HydrophobicContact CE1-CD2 4.01Å; Y95-L108 HydrophobicContact CG-CD1 4.17Å; Y95-L108 HydrophobicContact CG-CD2 3.78Å
96	R	98.7	Very high	97.8	Very high	96 Å²	96	47.7 Å²	47.7	36%	0.362	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-45.5	173.5	-71.4	174.9	65.2	-153.3	-3.5	111.6	I92 T93 L98 A99 A100 I129 G133	I92-R96 HydrophobicContact CG2-CG 4.34Å; I92-R96 VanDerWaalsContact O-CG 3.29Å; I92-R96 WeakPolarHBondContact O-CG 3.32Å; I92-R96 PolarHBondContact O-N 3.37Å; T93-R96 PolarHBondContact O-N 3.02Å; R96-L98 VanDerWaalsContact C-N 3.33Å; R96-L98 PolarHBondContact O-N 3.14Å; R96-A99 PolarHBondContact O-N 3.08Å; R96-A100 PolarHBondContact O-N 3.06Å; R96-A100 VanDerWaalsContact O-N 3.12Å; R96-I129 HydrophobicContact CG-CD1 3.74Å; R96-I129 HydrophobicContact CG-CG1 4.35Å; R96-I129 HydrophobicContact CG-CG2 4.22Å; R96-G133 WeakPolarHBondContact CB-O 3.3Å; R96-G133 WeakPolarHBondContact CG-O 3.34Å; R96-G133 PolarHBondContact NE-O 3.11Å; R96-G133 PolarHBondContact NH2-O 2.93Å; R96-G133 VanDerWaalsContact O-CA 3.28Å; R96-G133 WeakPolarHBondContact O-CA 3.19Å
97	A	98.5	Very high	97.9	Very high	59 Å²	59	44 Å²	44	49%	0.488	25%	0.245	S	C	.	.	H	α-helix	trans	-61.9	-42	175	0	0	0	0	0	111.6	T93 K94 A100 Q101	T93-A97 PolarHBondContact O-N 2.89Å; K94-A97 PolarHBondContact O-N 3.5Å; A97-A100 PolarHBondContact O-N 2.85Å; A97-Q101 VanDerWaalsContact O-CB 3.29Å; A97-Q101 WeakPolarHBondContact O-CB 3.37Å; A97-Q101 PolarHBondContact O-N 2.84Å
98	L	98.3	Very high	98	Very high	12 Å²	12	41.2 Å²	41.2	6%	0.063	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-43.5	177.1	-175.4	64.3	0	0	0	112.4	V50 I53 K94 Y95 R96 A100 Q101 E102 I106	V50-L98 HydrophobicContact CG2-CD2 3.85Å; I53-L98 HydrophobicContact CB-CD2 4.26Å; I53-L98 HydrophobicContact CD1-CD2 3.51Å; I53-L98 HydrophobicContact CG1-CD2 4.47Å; I53-L98 HydrophobicContact CG2-CD1 4.4Å; I53-L98 HydrophobicContact CG2-CD2 3.95Å; I53-L98 HydrophobicContact CG2-CG 4.05Å; K94-L98 WeakPolarHBondContact O-CB 3.5Å; K94-L98 PolarHBondContact O-N 2.85Å; Y95-L98 HydrophobicContact CD1-CD2 4.36Å; Y95-L98 PolarHBondContact O-N 2.96Å; R96-L98 VanDerWaalsContact C-N 3.33Å; R96-L98 PolarHBondContact O-N 3.14Å; L98-A100 VanDerWaalsContact C-N 3.33Å; L98-A100 PolarHBondContact O-N 3.32Å; L98-Q101 PolarHBondContact O-N 2.97Å; L98-E102 HydrophobicContact CD1-CG 3.88Å; L98-E102 HydrophobicContact CG-CG 4.47Å; L98-E102 WeakPolarHBondContact O-CB 3.28Å; L98-E102 WeakPolarHBondContact O-CG 3.38Å; L98-E102 PolarHBondContact O-N 3.48Å; L98-I106 HydrophobicContact CD2-CD1 4.5Å; L98-I106 HydrophobicContact CG-CD1 4.46Å
99	A	98.6	Very high	98.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.5	-43.2	175.9	0	0	0	0	0	112.1	Y95 R96 S103 L104 I106 I129 N130	Y95-A99 WeakPolarHBondContact O-CB 3.43Å; Y95-A99 PolarHBondContact O-N 3.47Å; R96-A99 PolarHBondContact O-N 3.08Å; A99-S103 WeakPolarHBondContact O-CA 3.31Å; A99-S103 PolarHBondContact O-N 2.63Å; A99-L104 WeakPolarHBondContact CB-O 3.43Å; A99-L104 PolarHBondContact O-N 3.49Å; A99-I106 HydrophobicContact CB-CD1 3.74Å; A99-I106 HydrophobicContact CB-CG1 3.98Å; A99-I129 HydrophobicContact CB-CB 4.37Å; A99-I129 HydrophobicContact CB-CG2 3.62Å; A99-N130 WeakPolarHBondContact CB-O 3.23Å
100	A	98.3	Very high	98.1	Very high	41 Å²	41	35.2 Å²	35.2	34%	0.339	20%	0.197	S	C	.	.	H	α-helix	trans	-66	-49.9	176.1	0	0	0	0	0	112.4	R96 A97 L98 E102 S103 S131	R96-A100 PolarHBondContact O-N 3.06Å; R96-A100 VanDerWaalsContact O-N 3.12Å; A97-A100 PolarHBondContact O-N 2.85Å; L98-A100 VanDerWaalsContact C-N 3.33Å; L98-A100 PolarHBondContact O-N 3.32Å; A100-E102 PolarHBondContact O-N 2.78Å; A100-S103 PolarHBondContact O-N 3.01Å; A100-S103 VanDerWaalsContact O-N 3.11Å; A100-S131 WeakPolarHBondContact CA-O 3.25Å
101	Q	97.5	Very high	98.2	Very high	141 Å²	141	31 Å²	31	66%	0.659	17%	0.169	S	C	*	.	H	α-helix	trans	-57.8	-47.4	179.9	-179.2	-173.8	-52.3	0	0	111.5	A97 L98 S103	A97-Q101 VanDerWaalsContact O-CB 3.29Å; A97-Q101 WeakPolarHBondContact O-CB 3.37Å; A97-Q101 PolarHBondContact O-N 2.84Å; L98-Q101 PolarHBondContact O-N 2.97Å; Q101-S103 VanDerWaalsContact C-N 3.26Å; Q101-S103 PolarHBondContact O-N 3.41Å
102	E	96.9	Very high	98.2	Very high	32 Å²	32	31 Å²	31	15%	0.15	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.1	-178.7	-58.6	-54.2	138.4	0	0	112.4	I53 K57 L98 A100 L104	I53-E102 HydrophobicContact CG2-CG 4.37Å; K57-E102 WeakPolarHBondContact CD-O 3.41Å; K57-E102 WeakPolarHBondContact CE-O 3.39Å; K57-E102 HydrophobicContact CG-CB 4.41Å; K57-E102 WeakPolarHBondContact CG-OE2 3.45Å; K57-E102 PolarHBondContact NZ-O 2.92Å; L98-E102 HydrophobicContact CD1-CG 3.88Å; L98-E102 HydrophobicContact CG-CG 4.47Å; L98-E102 WeakPolarHBondContact O-CB 3.28Å; L98-E102 WeakPolarHBondContact O-CG 3.38Å; L98-E102 PolarHBondContact O-N 3.48Å; A100-E102 PolarHBondContact O-N 2.78Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 HydrophobicContact CB-CB 4.15Å; E102-L104 PolarHBondContact O-N 3.06Å
103	S	96.9	Very high	98.1	Very high	76 Å²	76	31.2 Å²	31.2	53%	0.531	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	45	54.7	-174.5	-47.5	0	0	0	0	111.8	A99 A100 Q101	A99-S103 WeakPolarHBondContact O-CA 3.31Å; A99-S103 PolarHBondContact O-N 2.63Å; A100-S103 PolarHBondContact O-N 3.01Å; A100-S103 VanDerWaalsContact O-N 3.11Å; Q101-S103 VanDerWaalsContact C-N 3.26Å; Q101-S103 PolarHBondContact O-N 3.41Å
104	L	97.4	Very high	98	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	17%	0.17	C	C	.	.			trans	-138.5	141.4	-168.5	-173.5	74.3	0	0	0	110.4	I53 V61 K62 V64 A99 E102	I53-L104 HydrophobicContact CG2-CD2 4.01Å; V61-L104 HydrophobicContact CG1-CD1 4.24Å; V61-L104 WeakPolarHBondContact O-CD1 3.43Å; K62-L104 WeakPolarHBondContact O-CD1 3.15Å; V64-L104 HydrophobicContact CB-CD2 4.26Å; V64-L104 HydrophobicContact CG2-CD2 3.66Å; A99-L104 WeakPolarHBondContact CB-O 3.43Å; A99-L104 PolarHBondContact O-N 3.49Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 HydrophobicContact CB-CB 4.15Å; E102-L104 PolarHBondContact O-N 3.06Å
105	W	98.7	Very high	97.7	Very high	32 Å²	32	29.7 Å²	29.7	12%	0.121	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	143.3	170.3	-74.7	57.7	0	0	0	110.9	K62 I63 V64 V128 I129 N130 M136 I183 T186 P187	K62-W105 PolarHBondContact O-N 3.02Å; K62-W105 VanDerWaalsContact O-N 3.13Å; I63-W105 CarbonylContact C-O 3.54Å; I63-W105 VanDerWaalsContact CA-O 3.26Å; I63-W105 WeakPolarHBondContact CA-O 3.43Å; I63-W105 HydrophobicContact CB-CB 3.81Å; I63-W105 HydrophobicContact CD1-CB 3.97Å; I63-W105 HydrophobicContact CG1-CB 3.73Å; V64-W105 PolarHBondContact N-O 3.17Å; W105-V128 HydrophobicContact CE3-CG1 3.79Å; W105-V128 HydrophobicContact CZ3-CG1 3.94Å; W105-I129 CarbonylContact C-O 3.52Å; W105-I129 VanDerWaalsContact CA-O 3.31Å; W105-I129 WeakPolarHBondContact CA-O 3.26Å; W105-N130 HydrophobicContact CD2-CB 3.94Å; W105-N130 HydrophobicContact CE3-CB 4.24Å; W105-N130 HydrophobicContact CH2-CB 3.95Å; W105-N130 HydrophobicContact CZ2-CB 3.59Å; W105-N130 HydrophobicContact CZ3-CB 4.24Å; W105-M136 HydrophobicContact CH2-CE 4.48Å; W105-M136 HydrophobicContact CH2-CG 3.84Å; W105-M136 HydrophobicContact CH2-SD 4.48Å; W105-M136 HydrophobicContact CZ3-CB 4.33Å; W105-M136 HydrophobicContact CZ3-CG 3.74Å; W105-I183 HydrophobicContact CZ3-CG2 4.25Å; W105-T186 HydrophobicContact CE3-CG2 4.3Å; W105-T186 HydrophobicContact CH2-CG2 4.23Å; W105-T186 HydrophobicContact CZ3-CG2 3.7Å; W105-P187 HydrophobicContact CB-CG 4.26Å; W105-P187 VanDerWaalsContact CD2-CD 3.45Å; W105-P187 HydrophobicContact CD2-CG 4Å; W105-P187 HydrophobicContact CG-CG 3.68Å
106	I	98.8	Very high	97.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.3	178.9	-50	-178.9	0	0	0	109.4	I53 V64 L66 L98 A99 L108 I129	I53-I106 HydrophobicContact CD1-CD1 4.15Å; V64-I106 CarbonylContact O-C 3.46Å; V64-I106 WeakPolarHBondContact O-CA 3.49Å; L66-I106 HydrophobicContact CD1-CG2 4.49Å; L66-I106 HydrophobicContact CG-CG2 4.5Å; L98-I106 HydrophobicContact CD2-CD1 4.5Å; L98-I106 HydrophobicContact CG-CD1 4.46Å; A99-I106 HydrophobicContact CB-CD1 3.74Å; A99-I106 HydrophobicContact CB-CG1 3.98Å; I106-L108 HydrophobicContact CG2-CD2 3.6Å; I106-L108 HydrophobicContact CG2-CG 4.29Å; I106-I129 PolarHBondContact N-O 2.88Å; I106-I129 PolarHBondContact O-N 2.77Å
107	S	98.8	Very high	96.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	111	166.8	153.5	0	0	0	0	108.2	V64 F65 L66 H126	V64-S107 PolarHBondContact O-N 3.27Å; F65-S107 WeakPolarHBondContact CD1-OG 3.38Å; L66-S107 PolarHBondContact N-O 3.34Å; S107-H126 PolarHBondContact OG-NE2 3.1Å
108	L	98.8	Very high	95.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	99.8	175.7	-60.7	-175.6	0	0	0	108.1	L66 F70 I92 Y95 I106 G110 H126 I127 I129	L66-L108 HydrophobicContact CD1-CD2 3.71Å; L66-L108 HydrophobicContact CG-CD2 4.48Å; F70-L108 HydrophobicContact CD1-CB 4.39Å; F70-L108 HydrophobicContact CD2-CD2 4.39Å; F70-L108 HydrophobicContact CE1-CB 3.59Å; F70-L108 HydrophobicContact CE1-CD2 4.45Å; F70-L108 HydrophobicContact CE1-CG 4.47Å; F70-L108 HydrophobicContact CE2-CB 4.45Å; F70-L108 HydrophobicContact CE2-CD1 4.44Å; F70-L108 HydrophobicContact CE2-CD2 3.91Å; F70-L108 HydrophobicContact CZ-CB 3.64Å; F70-L108 HydrophobicContact CZ-CD1 3.97Å; F70-L108 HydrophobicContact CZ-CD2 3.94Å; F70-L108 HydrophobicContact CZ-CG 4.06Å; I92-L108 HydrophobicContact CD1-CD1 3.83Å; Y95-L108 HydrophobicContact CD1-CD2 3.68Å; Y95-L108 HydrophobicContact CD2-CD1 4.35Å; Y95-L108 HydrophobicContact CD2-CD2 4.2Å; Y95-L108 HydrophobicContact CE1-CD2 4.01Å; Y95-L108 HydrophobicContact CG-CD1 4.17Å; Y95-L108 HydrophobicContact CG-CD2 3.78Å; I106-L108 HydrophobicContact CG2-CD2 3.6Å; I106-L108 HydrophobicContact CG2-CG 4.29Å; L108-G110 VanDerWaalsContact C-N 3.26Å; L108-G110 PolarHBondContact O-N 2.82Å; L108-G110 VanDerWaalsContact O-N 3.08Å; L108-H126 WeakPolarHBondContact O-CA 3.48Å; L108-H126 PolarHBondContact O-CD2 2.86Å; L108-I127 HydrophobicContact CB-CB 4.14Å; L108-I127 WeakPolarHBondContact CB-O 3.36Å; L108-I127 HydrophobicContact CD1-CB 4.37Å; L108-I127 PolarHBondContact N-O 3.29Å; L108-I127 PolarHBondContact O-N 2.83Å; L108-I129 HydrophobicContact CD1-CD1 3.63Å; L108-I129 HydrophobicContact CD1-CG1 4.47Å; L108-I129 HydrophobicContact CG-CD1 4.25Å
109	G	98.1	Very high	94.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	6.5	-159.6	0	0	0	0	0	118.2	L66 P220	L66-G109 VanDerWaalsContact O-CA 3.28Å; L66-G109 WeakPolarHBondContact O-CA 3.3Å; L66-G109 PolarHBondContact O-N 3.37Å; G109-P220 VanDerWaalsContact O-CB 3.25Å; G109-P220 WeakPolarHBondContact O-CB 3.31Å; G109-P220 WeakPolarHBondContact O-CG 3.49Å
110	G	96.9	Very high	94.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.9	86.1	-179.5	0	0	0	0	0	111.1	C69 L108 N124 S125	C69-G110 PolarHBondContact N-O 2.99Å; L108-G110 VanDerWaalsContact C-N 3.26Å; L108-G110 PolarHBondContact O-N 2.82Å; L108-G110 VanDerWaalsContact O-N 3.08Å; G110-N124 VanDerWaalsContact CA-OD1 3.24Å; G110-N124 WeakPolarHBondContact CA-OD1 3.37Å; G110-S125 CarbonylContact C-O 3.55Å; G110-S125 VanDerWaalsContact CA-O 3.27Å; G110-S125 WeakPolarHBondContact CA-O 3.28Å
111	A	98.2	Very high	94.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	143.3	175.1	0	0	0	0	0	110.8	F70 I92 I113 Y123 S125 I127	F70-A111 HydrophobicContact CE1-CB 3.75Å; F70-A111 HydrophobicContact CZ-CB 3.77Å; I92-A111 HydrophobicContact CD1-CB 4.27Å; A111-I113 HydrophobicContact CB-CD1 3.85Å; A111-I113 HydrophobicContact CB-CG1 4.11Å; A111-I113 PolarHBondContact O-N 3.06Å; A111-Y123 VanDerWaalsContact O-O 3.04Å; A111-S125 PolarHBondContact N-O 3.45Å; A111-S125 PolarHBondContact O-N 3.11Å; A111-I127 HydrophobicContact CB-CD1 4.09Å
112	H	98.3	Very high	94.3	Very high	13 Å²	13	38.3 Å²	38.3	6%	0.06	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	96.3	171.9	-58.3	85.9	0	0	0	110	D71 F72 L122 Y123	D71-H112 IonicContact OD1-CE1 3.98Å; D71-H112 IonicContact OD1-ND1 3.73Å; D71-H112 PolarHBondContact OD1-ND1 2.95Å; D71-H112 VanDerWaalsContact OD1-ND1 3.1Å; D71-H112 WeakPolarHBondContact OD2-CB 3.28Å; D71-H112 IonicContact OD2-CG 3.77Å; D71-H112 PolarHBondContact OD2-N 2.83Å; D71-H112 IonicContact OD2-ND1 2.79Å; D71-H112 PolarHBondContact OD2-ND1 2.92Å; F72-H112 HydrophobicContact CE1-CB 3.88Å; F72-H112 AromaticContact CE1-ND1 3.76Å; F72-H112 AromaticContact CE2-ND1 3.84Å; F72-H112 HydrophobicContact CZ-CB 3.59Å; F72-H112 AromaticContact CZ-CG 3.54Å; F72-H112 AromaticContact CZ-ND1 3.55Å; F72-H112 PolarHBondContact O-CE1 2.9Å; F72-H112 VanDerWaalsContact O-CE1 3.3Å; H112-L122 HydrophobicContact CB-CD1 4.2Å; H112-Y123 WeakPolarHBondContact CA-O 3.47Å
113	I	97.7	Very high	94.4	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.046	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.2	-176.8	-57.2	-56.4	0	0	0	110.3	E85 L87 I92 A111 L122 Y123 S125 I127	E85-I113 CarbonylContact O-C 3.56Å; E85-I113 WeakPolarHBondContact O-CA 3.43Å; L87-I113 HydrophobicContact CB-CG2 4.25Å; I92-I113 HydrophobicContact CD1-CD1 4.46Å; I92-I113 HydrophobicContact CG1-CD1 4.25Å; A111-I113 HydrophobicContact CB-CD1 3.85Å; A111-I113 HydrophobicContact CB-CG1 4.11Å; A111-I113 PolarHBondContact O-N 3.06Å; I113-L122 CarbonylContact O-C 3.55Å; I113-L122 WeakPolarHBondContact O-CA 3.46Å; I113-Y123 PolarHBondContact N-O 3.04Å; I113-Y123 PolarHBondContact O-N 3.49Å; I113-S125 WeakPolarHBondContact CG1-OG 3.48Å; I113-I127 HydrophobicContact CD1-CD1 4.14Å; I113-I127 HydrophobicContact CG1-CD1 4.29Å
114	R	96.1	Very high	94.4	Very high	106 Å²	106	35 Å²	35	40%	0.4	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	143.3	177.6	-71.8	-179	-176.5	-170.1	3.6	112.5	S84 E85 M86 L122	S84-R114 PolarHBondContact O-NE 2.9Å; S84-R114 PolarHBondContact O-NH2 2.9Å; S84-R114 VanDerWaalsContact OG-CG 3.26Å; S84-R114 WeakPolarHBondContact OG-CG 3.34Å; S84-R114 PolarHBondContact OG-NE 3.48Å; E85-R114 PolarHBondContact O-N 2.86Å; M86-R114 HydrophobicContact SD-CB 3.55Å; M86-R114 VanDerWaalsContact SD-CB 3.55Å; R114-L122 HydrophobicContact CB-CD2 4.28Å; R114-L122 HydrophobicContact CG-CD2 3.71Å
115	T	92.2	Very high	94.5	Very high	3 Å²	3	35 Å²	35	2%	0.018	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-73.4	150.7	168.4	65.7	0	0	0	0	109.5	E117 D119 Q121 Y123 R174	T115-E117 VanDerWaalsContact C-N 3.25Å; T115-D119 PolarHBondContact OG1-OD1 2.99Å; T115-Q121 WeakPolarHBondContact CG2-O 3.27Å; T115-Q121 PolarHBondContact OG1-O 2.72Å; T115-Y123 HydrophobicContact CG2-CD2 4.07Å; T115-Y123 HydrophobicContact CG2-CE1 4.47Å; T115-Y123 HydrophobicContact CG2-CE2 3.78Å; T115-R174 HydrophobicContact CG2-CB 4.45Å
116	T	88.2	Confident	94.5	Very high	115 Å²	115	33.4 Å²	33.4	71%	0.706	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-18.7	173.3	48	0	0	0	0	112.8	M86	M86-T116 HydrophobicContact CE-CG2 4.34Å
117	E	84.2	Confident	94.5	Very high	128 Å²	128	33.4 Å²	33.4	60%	0.598	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-10.3	-175.8	-69.3	171	-137.8	0	0	113.6	T115 D119 R174	T115-E117 VanDerWaalsContact C-N 3.25Å; E117-D119 PolarHBondContact O-N 2.88Å; E117-R174 IonicContact OE1-CZ 2.64Å; E117-R174 IonicContact OE1-NH1 3.11Å; E117-R174 PolarHBondContact OE1-NH1 3.05Å; E117-R174 IonicContact OE2-CZ 3.29Å; E117-R174 VanDerWaalsContact OE2-CZ 3.29Å; E117-R174 IonicContact OE2-NH1 2.97Å; E117-R174 PolarHBondContact OE2-NH1 2.87Å; E117-R174 IonicContact OE2-NH2 2.7Å; E117-R174 PolarHBondContact OE2-NH2 2.87Å
118	N	77.3	Confident	94.5	Very high	137 Å²	137	33.4 Å²	33.4	73%	0.733	17%	0.173	S	C	*	.			trans	52.5	36.2	-179.7	-66.7	-43.5	0	0	0	113.9	G120	N118-G120 PolarHBondContact O-N 3.49Å
119	D	85.6	Confident	94.5	Very high	63 Å²	63	33.4 Å²	33.4	34%	0.337	17%	0.173	S	C	.	.	S	Bend	trans	-78.2	4.5	-179.4	69.2	-31	0	0	0	114.1	T115 E117 Q121 R174	T115-D119 PolarHBondContact OG1-OD1 2.99Å; E117-D119 PolarHBondContact O-N 2.88Å; D119-Q121 VanDerWaalsContact C-N 3.29Å; D119-Q121 PolarHBondContact OD1-N 2.92Å; D119-Q121 PolarHBondContact OD2-OE1 3.28Å; D119-R174 IonicContact OD1-NH2 2.86Å; D119-R174 IonicContact OD2-CZ 2.9Å; D119-R174 VanDerWaalsContact OD2-CZ 3.24Å; D119-R174 IonicContact OD2-NE 3.57Å; D119-R174 PolarHBondContact OD2-NE 3.35Å; D119-R174 VanDerWaalsContact OD2-NE 3.11Å; D119-R174 IonicContact OD2-NH2 3.1Å; D119-R174 PolarHBondContact OD2-NH2 2.79Å
120	G	89.9	Confident	94.5	Very high	29 Å²	29	33.9 Å²	33.9	30%	0.299	18%	0.176	S	C	.	.	S	Bend	trans	73.7	20	-173.8	0	0	0	0	0	113.6	R77 L81 N118	R77-G120 PolarHBondContact NH2-O 2.94Å; L81-G120 WeakPolarHBondContact CD2-O 3.15Å; N118-G120 PolarHBondContact O-N 3.49Å
121	Q	95.2	Very high	94.6	Very high	55 Å²	55	35.6 Å²	35.6	26%	0.257	19%	0.187	S	C	.	.			trans	-117.3	166.5	166.9	-60.6	-167	-43.3	0	0	111.3	T115 D119 S170 T172 R174	T115-Q121 WeakPolarHBondContact CG2-O 3.27Å; T115-Q121 PolarHBondContact OG1-O 2.72Å; D119-Q121 VanDerWaalsContact C-N 3.29Å; D119-Q121 PolarHBondContact OD1-N 2.92Å; D119-Q121 PolarHBondContact OD2-OE1 3.28Å; Q121-S170 PolarHBondContact NE2-O 3.28Å; Q121-S170 VanDerWaalsContact NE2-O 3.09Å; Q121-T172 WeakPolarHBondContact CA-O 3.3Å; Q121-R174 HydrophobicContact CB-CB 3.97Å
122	L	97	Very high	94.6	Very high	4 Å²	4	41 Å²	41	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	163	179	-51.2	172.6	0	0	0	109.5	T80 L81 S84 H112 I113 R114 T172 I173 R174	T80-L122 HydrophobicContact CG2-CD1 3.94Å; L81-L122 HydrophobicContact CD2-CD1 4.08Å; L81-L122 HydrophobicContact CD2-CD2 3.95Å; L81-L122 HydrophobicContact CD2-CG 3.78Å; S84-L122 VanDerWaalsContact CB-CD1 3.46Å; S84-L122 VanDerWaalsContact OG-CD2 3.27Å; S84-L122 WeakPolarHBondContact OG-CD2 3.27Å; H112-L122 HydrophobicContact CB-CD1 4.2Å; I113-L122 CarbonylContact O-C 3.55Å; I113-L122 WeakPolarHBondContact O-CA 3.46Å; R114-L122 HydrophobicContact CB-CD2 4.28Å; R114-L122 HydrophobicContact CG-CD2 3.71Å; L122-T172 PolarHBondContact N-O 3.16Å; L122-I173 HydrophobicContact CB-CD1 4.12Å; L122-I173 CarbonylContact O-C 3.54Å; L122-I173 WeakPolarHBondContact O-CA 3.22Å; L122-I173 WeakPolarHBondContact O-CG2 3.31Å; L122-R174 PolarHBondContact O-N 3.48Å
123	Y	97.8	Very high	94.6	Very high	37 Å²	37	40.6 Å²	40.6	15%	0.145	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	143.4	164	-64.4	-61	0	0	0	111	A111 H112 I113 T115 S125 H140 R174	A111-Y123 VanDerWaalsContact O-O 3.04Å; H112-Y123 WeakPolarHBondContact CA-O 3.47Å; I113-Y123 PolarHBondContact N-O 3.04Å; I113-Y123 PolarHBondContact O-N 3.49Å; T115-Y123 HydrophobicContact CG2-CD2 4.07Å; T115-Y123 HydrophobicContact CG2-CE1 4.47Å; T115-Y123 HydrophobicContact CG2-CE2 3.78Å; Y123-S125 WeakPolarHBondContact CB-OG 3.46Å; Y123-H140 WeakPolarHBondContact CB-ND1 3.28Å; Y123-H140 HydrophobicContact CD1-CB 3.9Å; Y123-H140 AromaticContact CD1-CG 3.9Å; Y123-H140 AromaticContact CD2-CE1 3.82Å; Y123-H140 AromaticContact CD2-ND1 3.93Å; Y123-H140 HydrophobicContact CG-CB 4.16Å; Y123-H140 AromaticContact CG-CE1 3.99Å; Y123-H140 AromaticContact CG-CG 3.73Å; Y123-H140 AromaticContact CG-ND1 3.61Å; Y123-R174 HydrophobicContact CD1-CB 4.15Å; Y123-R174 WeakPolarHBondContact CD1-O 3.48Å; Y123-R174 HydrophobicContact CE1-CB 3.93Å; Y123-R174 HydrophobicContact CE1-CG 3.88Å; Y123-R174 WeakPolarHBondContact OH-CD 3.37Å
124	N	98.4	Very high	94.6	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.011	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	109.9	160.7	-177.7	-9.8	0	0	0	107.7	E68 G110 K141 E169 I173 I195	E68-N124 PolarHBondContact OE1-ND2 2.9Å; G110-N124 VanDerWaalsContact CA-OD1 3.24Å; G110-N124 WeakPolarHBondContact CA-OD1 3.37Å; N124-K141 HydrophobicContact CB-CB 4.13Å; N124-K141 HydrophobicContact CB-CD 4.28Å; N124-K141 WeakPolarHBondContact ND2-CD 3.44Å; N124-K141 WeakPolarHBondContact O-CB 3.25Å; N124-K141 PolarHBondContact O-N 2.87Å; N124-E169 PolarHBondContact ND2-OE1 2.74Å; N124-I173 HydrophobicContact CB-CG2 3.87Å; N124-I195 WeakPolarHBondContact O-CD1 3.42Å; N124-I195 WeakPolarHBondContact OD1-CD1 3.42Å
125	S	98.7	Very high	94.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123	-162.7	-50.2	0	0	0	0	112.9	G110 A111 I113 Y123 Y139 H140	G110-S125 CarbonylContact C-O 3.55Å; G110-S125 VanDerWaalsContact CA-O 3.27Å; G110-S125 WeakPolarHBondContact CA-O 3.28Å; A111-S125 PolarHBondContact N-O 3.45Å; A111-S125 PolarHBondContact O-N 3.11Å; I113-S125 WeakPolarHBondContact CG1-OG 3.48Å; Y123-S125 WeakPolarHBondContact CB-OG 3.46Å; S125-Y139 CarbonylContact C-O 3.54Å; S125-Y139 VanDerWaalsContact CA-O 3.23Å; S125-Y139 WeakPolarHBondContact CA-O 3.5Å; S125-H140 PolarHBondContact OG-CE1 3.42Å; S125-H140 PolarHBondContact OG-ND1 3.08Å
126	H	98.8	Very high	95	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	115.1	169.2	-164.7	156.8	0	0	0	108.9	S107 L108 V138 Y139 L193 A194 I195	S107-H126 PolarHBondContact OG-NE2 3.1Å; L108-H126 WeakPolarHBondContact O-CA 3.48Å; L108-H126 PolarHBondContact O-CD2 2.86Å; H126-V138 WeakPolarHBondContact O-CA 3.36Å; H126-Y139 HydrophobicContact CB-CD1 4.08Å; H126-Y139 PolarHBondContact N-O 3.08Å; H126-Y139 PolarHBondContact O-N 3.22Å; H126-L193 HydrophobicContact CB-CB 4.37Å; H126-A194 PolarHBondContact ND1-O 3.21Å; H126-I195 HydrophobicContact CB-CD1 3.75Å; H126-I195 HydrophobicContact CB-CG1 3.79Å
127	I	98.8	Very high	95.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.2	-176.1	-56.2	159.1	0	0	0	109	L87 I92 L108 A111 I113 I129 I135 V138	L87-I127 HydrophobicContact CD1-CD1 3.56Å; L87-I127 HydrophobicContact CD1-CG1 4.07Å; I92-I127 HydrophobicContact CD1-CD1 3.77Å; I92-I127 HydrophobicContact CG1-CD1 4.39Å; L108-I127 HydrophobicContact CB-CB 4.14Å; L108-I127 WeakPolarHBondContact CB-O 3.36Å; L108-I127 HydrophobicContact CD1-CB 4.37Å; L108-I127 PolarHBondContact N-O 3.29Å; L108-I127 PolarHBondContact O-N 2.83Å; A111-I127 HydrophobicContact CB-CD1 4.09Å; I113-I127 HydrophobicContact CD1-CD1 4.14Å; I113-I127 HydrophobicContact CG1-CD1 4.29Å; I127-I129 HydrophobicContact CG2-CG1 4.2Å; I127-I135 HydrophobicContact CG2-CD1 4.38Å; I127-I135 HydrophobicContact CG2-CG1 4.2Å; I127-I135 HydrophobicContact CG2-CG2 3.92Å; I127-V138 HydrophobicContact CG1-CG1 4.1Å; I127-V138 HydrophobicContact CG1-CG2 4.21Å; I127-V138 HydrophobicContact CG2-CG2 4.39Å
128	V	98.8	Very high	96.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.4	172.7	177.5	0	0	0	0	109.8	W105 I135 M136 G137 I183 L191 L193	W105-V128 HydrophobicContact CE3-CG1 3.79Å; W105-V128 HydrophobicContact CZ3-CG1 3.94Å; V128-I135 CarbonylContact O-C 3.44Å; V128-I135 WeakPolarHBondContact O-CA 3.14Å; V128-M136 HydrophobicContact CG1-CB 4.37Å; V128-M136 PolarHBondContact O-N 2.92Å; V128-G137 PolarHBondContact N-O 3.28Å; V128-G137 VanDerWaalsContact N-O 3.08Å; V128-I183 HydrophobicContact CB-CG1 4.23Å; V128-I183 HydrophobicContact CG2-CG1 4.17Å; V128-L191 HydrophobicContact CG2-CD2 4.15Å; V128-L193 HydrophobicContact CG2-CD1 3.91Å; V128-L193 HydrophobicContact CG2-CD2 3.57Å; V128-L193 HydrophobicContact CG2-CG 4.4Å
129	I	98.8	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.4	178.9	-55.4	171.8	0	0	0	108.7	R96 A99 W105 I106 L108 I127 Q134 I135	R96-I129 HydrophobicContact CG-CD1 3.74Å; R96-I129 HydrophobicContact CG-CG1 4.35Å; R96-I129 HydrophobicContact CG-CG2 4.22Å; A99-I129 HydrophobicContact CB-CB 4.37Å; A99-I129 HydrophobicContact CB-CG2 3.62Å; W105-I129 CarbonylContact C-O 3.52Å; W105-I129 VanDerWaalsContact CA-O 3.31Å; W105-I129 WeakPolarHBondContact CA-O 3.26Å; I106-I129 PolarHBondContact N-O 2.88Å; I106-I129 PolarHBondContact O-N 2.77Å; L108-I129 HydrophobicContact CD1-CD1 3.63Å; L108-I129 HydrophobicContact CD1-CG1 4.47Å; L108-I129 HydrophobicContact CG-CD1 4.25Å; I127-I129 HydrophobicContact CG2-CG1 4.2Å; I129-Q134 CarbonylContact C-O 3.59Å; I129-Q134 VanDerWaalsContact CA-O 3.27Å; I129-Q134 WeakPolarHBondContact CA-O 3.29Å; I129-I135 HydrophobicContact CG1-CG1 4.39Å
130	N	98.7	Very high	97.8	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.053	17%	0.167	C	C	.	.			trans	-81.6	176.1	175.3	73.1	7.3	0	0	0	112.7	A99 W105 D132 G133 Q134 M136	A99-N130 WeakPolarHBondContact CB-O 3.23Å; W105-N130 HydrophobicContact CD2-CB 3.94Å; W105-N130 HydrophobicContact CE3-CB 4.24Å; W105-N130 HydrophobicContact CH2-CB 3.95Å; W105-N130 HydrophobicContact CZ2-CB 3.59Å; W105-N130 HydrophobicContact CZ3-CB 4.24Å; N130-D132 PolarHBondContact O-N 3.23Å; N130-D132 VanDerWaalsContact O-N 3.09Å; N130-D132 WeakPolarHBondContact OD1-CA 3.32Å; N130-D132 WeakPolarHBondContact OD1-CB 3.31Å; N130-D132 PolarHBondContact OD1-N 2.93Å; N130-G133 PolarHBondContact O-N 3.37Å; N130-G133 PolarHBondContact OD1-N 3.19Å; N130-Q134 PolarHBondContact N-O 3.43Å; N130-Q134 PolarHBondContact ND2-OE1 3.43Å; N130-Q134 WeakPolarHBondContact OD1-CB 3.44Å; N130-Q134 PolarHBondContact OD1-N 3.46Å; N130-Q134 PolarHBondContact OD1-O 2.62Å; N130-M136 HydrophobicContact CB-CG 3.72Å; N130-M136 HydrophobicContact CB-SD 3.83Å; N130-M136 PolarHBondContact ND2-SD 3.09Å
131	S	98.1	Very high	98.2	Very high	35 Å²	35	29.5 Å²	29.5	25%	0.245	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-7.1	177.9	51.8	0	0	0	0	115.5	A100	A100-S131 WeakPolarHBondContact CA-O 3.25Å
132	D	98.3	Very high	98.3	Very high	115 Å²	115	28.5 Å²	28.5	62%	0.615	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	4.4	174.9	-57	-42.1	0	0	0	111.6	N130 Q134	N130-D132 PolarHBondContact O-N 3.23Å; N130-D132 VanDerWaalsContact O-N 3.09Å; N130-D132 WeakPolarHBondContact OD1-CA 3.32Å; N130-D132 WeakPolarHBondContact OD1-CB 3.31Å; N130-D132 PolarHBondContact OD1-N 2.93Å; D132-Q134 VanDerWaalsContact C-N 3.33Å; D132-Q134 HydrophobicContact CB-CG 4.31Å
133	G	98.2	Very high	98.4	Very high	4 Å²	4	30.5 Å²	30.5	4%	0.041	16%	0.16	C	C	.	.	S	Bend	trans	75.9	17	-177.6	0	0	0	0	0	114.1	R96 N130	R96-G133 WeakPolarHBondContact CB-O 3.3Å; R96-G133 WeakPolarHBondContact CG-O 3.34Å; R96-G133 PolarHBondContact NE-O 3.11Å; R96-G133 PolarHBondContact NH2-O 2.93Å; R96-G133 VanDerWaalsContact O-CA 3.28Å; R96-G133 WeakPolarHBondContact O-CA 3.19Å; N130-G133 PolarHBondContact O-N 3.37Å; N130-G133 PolarHBondContact OD1-N 3.19Å
134	Q	98.4	Very high	98.4	Very high	107 Å²	107	30 Å²	30	50%	0.5	16%	0.16	S	C	.	.			trans	-90.3	138.8	176.7	-57.2	173	-33.8	0	0	110.5	I129 N130 D132 M136	I129-Q134 CarbonylContact C-O 3.59Å; I129-Q134 VanDerWaalsContact CA-O 3.27Å; I129-Q134 WeakPolarHBondContact CA-O 3.29Å; N130-Q134 PolarHBondContact N-O 3.43Å; N130-Q134 PolarHBondContact ND2-OE1 3.43Å; N130-Q134 WeakPolarHBondContact OD1-CB 3.44Å; N130-Q134 PolarHBondContact OD1-N 3.46Å; N130-Q134 PolarHBondContact OD1-O 2.62Å; D132-Q134 VanDerWaalsContact C-N 3.33Å; D132-Q134 HydrophobicContact CB-CG 4.31Å; Q134-M136 PolarHBondContact O-N 3.36Å
135	I	98.5	Very high	98.3	Very high	57 Å²	57	31.2 Å²	31.2	29%	0.292	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	117	172.5	-63.4	174.6	0	0	0	107.8	L87 I92 I127 V128 I129 V138	L87-I135 HydrophobicContact CD1-CD1 4.02Å; L87-I135 HydrophobicContact CD2-CD1 4.32Å; L87-I135 HydrophobicContact CG-CD1 3.99Å; I92-I135 HydrophobicContact CG2-CD1 4.26Å; I127-I135 HydrophobicContact CG2-CD1 4.38Å; I127-I135 HydrophobicContact CG2-CG1 4.2Å; I127-I135 HydrophobicContact CG2-CG2 3.92Å; V128-I135 CarbonylContact O-C 3.44Å; V128-I135 WeakPolarHBondContact O-CA 3.14Å; I129-I135 HydrophobicContact CG1-CG1 4.39Å; I135-V138 HydrophobicContact CG2-CG2 3.71Å
136	M	98.3	Very high	98.1	Very high	76 Å²	76	34.3 Å²	34.3	37%	0.374	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-19.7	179.7	-61	-54.5	-54.3	0	0	112.6	W105 V128 N130 Q134 I183	W105-M136 HydrophobicContact CH2-CE 4.48Å; W105-M136 HydrophobicContact CH2-CG 3.84Å; W105-M136 HydrophobicContact CH2-SD 4.48Å; W105-M136 HydrophobicContact CZ3-CB 4.33Å; W105-M136 HydrophobicContact CZ3-CG 3.74Å; V128-M136 HydrophobicContact CG1-CB 4.37Å; V128-M136 PolarHBondContact O-N 2.92Å; N130-M136 HydrophobicContact CB-CG 3.72Å; N130-M136 HydrophobicContact CB-SD 3.83Å; N130-M136 PolarHBondContact ND2-SD 3.09Å; Q134-M136 PolarHBondContact O-N 3.36Å; M136-I183 HydrophobicContact CB-CG2 3.71Å
137	G	97.7	Very high	97.7	Very high	13 Å²	13	35.2 Å²	35.2	13%	0.134	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.3	160.8	173.3	0	0	0	0	0	112.5	V128	V128-G137 PolarHBondContact N-O 3.28Å; V128-G137 VanDerWaalsContact N-O 3.08Å
138	V	98.3	Very high	97.1	Very high	38 Å²	38	39.9 Å²	39.9	23%	0.23	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.5	179.9	-175.2	0	0	0	0	107.7	L87 H126 I127 I135	L87-V138 HydrophobicContact CD1-CG2 4.03Å; L87-V138 HydrophobicContact CD2-CG2 3.94Å; H126-V138 WeakPolarHBondContact O-CA 3.36Å; I127-V138 HydrophobicContact CG1-CG1 4.1Å; I127-V138 HydrophobicContact CG1-CG2 4.21Å; I127-V138 HydrophobicContact CG2-CG2 4.39Å; I135-V138 HydrophobicContact CG2-CG2 3.71Å
139	Y	98.6	Very high	96.2	Very high	6 Å²	6	41.5 Å²	41.5	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.2	171.6	163	-108.3	0	0	0	109	S125 H126 V142 P180 L193 I195 D198	S125-Y139 CarbonylContact C-O 3.54Å; S125-Y139 VanDerWaalsContact CA-O 3.23Å; S125-Y139 WeakPolarHBondContact CA-O 3.5Å; H126-Y139 HydrophobicContact CB-CD1 4.08Å; H126-Y139 PolarHBondContact N-O 3.08Å; H126-Y139 PolarHBondContact O-N 3.22Å; Y139-V142 HydrophobicContact CE2-CG1 3.83Å; Y139-V142 WeakPolarHBondContact OH-CG2 3.18Å; Y139-V142 PolarHBondContact OH-N 2.8Å; Y139-V142 VanDerWaalsContact OH-N 3.13Å; Y139-P180 HydrophobicContact CD2-CB 3.93Å; Y139-P180 HydrophobicContact CE2-CB 3.66Å; Y139-L193 HydrophobicContact CD1-CB 4.33Å; Y139-L193 HydrophobicContact CG-CB 4.29Å; Y139-I195 HydrophobicContact CD1-CD1 4.33Å; Y139-I195 HydrophobicContact CD1-CG1 4.18Å; Y139-I195 HydrophobicContact CE1-CD1 4.42Å; Y139-I195 HydrophobicContact CE1-CG1 4.09Å; Y139-D198 VanDerWaalsContact CE1-OD2 3.26Å; Y139-D198 WeakPolarHBondContact CE1-OD2 3.36Å; Y139-D198 VanDerWaalsContact OH-CG 3.22Å; Y139-D198 PolarHBondContact OH-OD1 3.5Å; Y139-D198 PolarHBondContact OH-OD2 2.89Å
140	H	98.3	Very high	94.8	Very high	59 Å²	59	44.7 Å²	44.7	27%	0.273	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.5	172.5	-56.8	-51.6	0	0	0	109	Y123 S125 V142	Y123-H140 WeakPolarHBondContact CB-ND1 3.28Å; Y123-H140 HydrophobicContact CD1-CB 3.9Å; Y123-H140 AromaticContact CD1-CG 3.9Å; Y123-H140 AromaticContact CD2-CE1 3.82Å; Y123-H140 AromaticContact CD2-ND1 3.93Å; Y123-H140 HydrophobicContact CG-CB 4.16Å; Y123-H140 AromaticContact CG-CE1 3.99Å; Y123-H140 AromaticContact CG-CG 3.73Å; Y123-H140 AromaticContact CG-ND1 3.61Å; S125-H140 PolarHBondContact OG-CE1 3.42Å; S125-H140 PolarHBondContact OG-ND1 3.08Å; H140-V142 PolarHBondContact O-N 3.32Å
141	K	98.6	Very high	92.8	Very high	2 Å²	2	48 Å²	48	1%	0.009	27%	0.265	C	S	.	.			trans	-51	121.8	-177.7	-170.8	178.7	-175.7	-173.4	0	111.4	E68 N124 H143 L144 E169 G176 I195	E68-K141 IonicContact OE1-NZ 3.87Å; E68-K141 PolarHBondContact OE1-NZ 3.46Å; N124-K141 HydrophobicContact CB-CB 4.13Å; N124-K141 HydrophobicContact CB-CD 4.28Å; N124-K141 WeakPolarHBondContact ND2-CD 3.44Å; N124-K141 WeakPolarHBondContact O-CB 3.25Å; N124-K141 PolarHBondContact O-N 2.87Å; K141-H143 VanDerWaalsContact CE-O 3.25Å; K141-H143 WeakPolarHBondContact CE-O 3.37Å; K141-L144 HydrophobicContact CD-CD2 4.44Å; K141-L144 HydrophobicContact CG-CD2 4.44Å; K141-E169 VanDerWaalsContact NZ-CD 3.33Å; K141-E169 IonicContact NZ-OE1 2.72Å; K141-E169 PolarHBondContact NZ-OE1 3.4Å; K141-E169 IonicContact NZ-OE2 3.02Å; K141-E169 PolarHBondContact NZ-OE2 3.01Å; K141-G176 PolarHBondContact O-N 2.9Å; K141-I195 HydrophobicContact CB-CB 4.3Å; K141-I195 HydrophobicContact CB-CD1 3.93Å; K141-I195 HydrophobicContact CB-CG1 4.5Å; K141-I195 HydrophobicContact CD-CB 3.91Å; K141-I195 HydrophobicContact CD-CG2 3.92Å; K141-I195 WeakPolarHBondContact CE-O 3.47Å; K141-I195 HydrophobicContact CG-CB 4Å
142	V	98.3	Very high	90.4	Very high	34 Å²	34	56 Å²	56	21%	0.206	30%	0.296	C	S	.	.	S	Bend	trans	-89.5	-35.1	-177.7	-53.4	0	0	0	0	112	Y139 H140 G176 E178 L204	Y139-V142 HydrophobicContact CE2-CG1 3.83Å; Y139-V142 WeakPolarHBondContact OH-CG2 3.18Å; Y139-V142 PolarHBondContact OH-N 2.8Å; Y139-V142 VanDerWaalsContact OH-N 3.13Å; H140-V142 PolarHBondContact O-N 3.32Å; V142-G176 WeakPolarHBondContact CG1-O 3.17Å; V142-E178 WeakPolarHBondContact CG1-O 3.22Å; V142-L204 HydrophobicContact CG2-CD1 4.02Å
143	H	98.3	Very high	88	Confident	45 Å²	45	57.9 Å²	57.9	21%	0.208	30%	0.301	C	S	.	.	S	Bend	trans	-97.5	101.5	177	-55.2	99.9	0	0	0	111.3	K141 Y197 D198 F201	K141-H143 VanDerWaalsContact CE-O 3.25Å; K141-H143 WeakPolarHBondContact CE-O 3.37Å; H143-Y197 HydrophobicContact CB-CD1 3.97Å; H143-D198 WeakPolarHBondContact CB-OD1 3.44Å; H143-D198 IonicContact CE1-OD1 3.55Å; H143-D198 IonicContact CG-OD1 3.3Å; H143-D198 PolarHBondContact N-OD1 3.21Å; H143-D198 IonicContact ND1-OD1 3.98Å; H143-D198 PolarHBondContact ND1-OD1 3.42Å; H143-F201 HydrophobicContact CB-CD2 3.8Å; H143-F201 HydrophobicContact CB-CE2 3.41Å; H143-F201 VanDerWaalsContact CB-CE2 3.41Å; H143-F201 HydrophobicContact CB-CZ 3.99Å; H143-F201 AromaticContact CD2-CD1 3.64Å; H143-F201 AromaticContact CD2-CD2 3.66Å; H143-F201 AromaticContact CD2-CE1 3.57Å; H143-F201 AromaticContact CD2-CE2 3.61Å; H143-F201 AromaticContact CD2-CG 3.68Å; H143-F201 AromaticContact CD2-CZ 3.56Å; H143-F201 AromaticContact CE1-CD2 3.93Å; H143-F201 AromaticContact CE1-CG 3.68Å; H143-F201 AromaticContact CG-CD2 3.4Å; H143-F201 AromaticContact CG-CE2 3.42Å; H143-F201 VanDerWaalsContact CG-CE2 3.42Å; H143-F201 AromaticContact CG-CG 3.84Å; H143-F201 AromaticContact CG-CZ 3.86Å; H143-F201 AromaticContact ND1-CD2 3.59Å; H143-F201 AromaticContact ND1-CG 3.84Å; H143-F201 AromaticContact NE2-CD1 3.6Å; H143-F201 AromaticContact NE2-CD2 4Å; H143-F201 AromaticContact NE2-CE1 4Å; H143-F201 AromaticContact NE2-CG 3.59Å
144	L	98	Very high	85.3	Confident	26 Å²	26	63.4 Å²	63.4	14%	0.136	33%	0.334	C	S	.	.			trans	-80.4	143.4	177.7	-54.4	-174.7	0	0	0	111.8	K141 D146 E169 I173 A175 Y197	K141-L144 HydrophobicContact CD-CD2 4.44Å; K141-L144 HydrophobicContact CG-CD2 4.44Å; L144-D146 PolarHBondContact O-N 2.84Å; L144-D146 VanDerWaalsContact O-N 3.1Å; L144-E169 HydrophobicContact CB-CB 4.26Å; L144-E169 HydrophobicContact CB-CG 4.37Å; L144-E169 HydrophobicContact CD2-CG 4.35Å; L144-I173 HydrophobicContact CD1-CB 4.34Å; L144-I173 HydrophobicContact CD1-CG2 4.4Å; L144-I173 WeakPolarHBondContact CD1-O 3.21Å; L144-I173 HydrophobicContact CD2-CB 4.22Å; L144-I173 HydrophobicContact CD2-CG2 3.64Å; L144-A175 HydrophobicContact CD1-CB 4.05Å; L144-A175 HydrophobicContact CG-CB 4.08Å; L144-Y197 VanDerWaalsContact O-CD1 3.31Å; L144-Y197 WeakPolarHBondContact O-CD1 3.27Å; L144-Y197 WeakPolarHBondContact O-CE1 3.33Å
145	F	95.8	Very high	82.9	Confident	29 Å²	29	62.3 Å²	62.3	13%	0.127	34%	0.335	C	S	.	.			trans	-82.4	88.5	-178.6	-172.2	-125.7	0	0	0	112.2	A147 L149 F167 E169 Y197 T224	F145-A147 HydrophobicContact CD2-CB 4.06Å; F145-A147 HydrophobicContact CE1-CB 4.43Å; F145-A147 HydrophobicContact CE2-CB 3.44Å; F145-A147 VanDerWaalsContact CE2-CB 3.44Å; F145-A147 HydrophobicContact CZ-CB 3.66Å; F145-L149 HydrophobicContact CZ-CD1 4.41Å; F145-F167 HydrophobicContact CD1-CB 3.56Å; F145-F167 HydrophobicContact CD1-CD1 4.42Å; F145-F167 HydrophobicContact CD1-CD2 4.46Å; F145-F167 AromaticContact CD1-CG 3.91Å; F145-F167 HydrophobicContact CD1-CG 3.91Å; F145-F167 HydrophobicContact CE1-CB 3.55Å; F145-F167 HydrophobicContact CE1-CD1 4.22Å; F145-F167 AromaticContact CE1-CD2 3.62Å; F145-F167 HydrophobicContact CE1-CD2 3.62Å; F145-F167 HydrophobicContact CE1-CE2 4.4Å; F145-F167 AromaticContact CE1-CG 3.52Å; F145-F167 HydrophobicContact CE1-CG 3.52Å; F145-F167 HydrophobicContact CZ-CD2 4.34Å; F145-E169 HydrophobicContact CB-CB 4.4Å; F145-E169 WeakPolarHBondContact CB-OE2 3.39Å; F145-E169 PolarHBondContact N-OE2 3.49Å; F145-E169 PolarHBondContact O-N 3Å; F145-E169 VanDerWaalsContact O-N 3.12Å; F145-Y197 HydrophobicContact CB-CD1 4.47Å; F145-Y197 HydrophobicContact CB-CG 4.2Å; F145-Y197 HydrophobicContact CD2-CD1 4.39Å; F145-Y197 AromaticContact CD2-CD2 3.36Å; F145-Y197 HydrophobicContact CD2-CD2 3.36Å; F145-Y197 HydrophobicContact CD2-CE1 4.47Å; F145-Y197 AromaticContact CD2-CE2 3.42Å; F145-Y197 HydrophobicContact CD2-CE2 3.42Å; F145-Y197 VanDerWaalsContact CD2-CE2 3.42Å; F145-Y197 AromaticContact CD2-CG 3.88Å; F145-Y197 HydrophobicContact CD2-CG 3.88Å; F145-Y197 AromaticContact CE2-CD2 3.94Å; F145-Y197 HydrophobicContact CE2-CD2 3.94Å; F145-Y197 AromaticContact CE2-CE2 3.75Å; F145-Y197 HydrophobicContact CE2-CE2 3.75Å; F145-Y197 HydrophobicContact CG-CD2 4.31Å; F145-Y197 HydrophobicContact CG-CG 4.5Å; F145-T224 HydrophobicContact CE1-CG2 3.79Å; F145-T224 HydrophobicContact CZ-CG2 4.17Å
146	D	94.7	Very high	80.4	Confident	65 Å²	65	65.3 Å²	65.3	35%	0.348	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	98.2	170.3	-73.8	8	0	0	0	109.4	L144 F167 F168 E169 S170	L144-D146 PolarHBondContact O-N 2.84Å; L144-D146 VanDerWaalsContact O-N 3.1Å; D146-F167 CarbonylContact C-O 3.47Å; D146-F167 VanDerWaalsContact CA-O 3.31Å; D146-F167 WeakPolarHBondContact CA-O 3.21Å; D146-F168 HydrophobicContact CB-CD1 4.16Å; D146-F168 VanDerWaalsContact OD1-C 3.25Å; D146-F168 VanDerWaalsContact OD1-CA 3.25Å; D146-F168 WeakPolarHBondContact OD1-CA 3.06Å; D146-E169 PolarHBondContact OD1-N 3.32Å; D146-S170 VanDerWaalsContact CG-OG 3.25Å; D146-S170 PolarHBondContact OD1-N 3.22Å; D146-S170 PolarHBondContact OD1-OG 3.07Å; D146-S170 VanDerWaalsContact OD2-CB 3.22Å; D146-S170 WeakPolarHBondContact OD2-CB 3.42Å; D146-S170 PolarHBondContact OD2-OG 3.16Å
147	A	89.9	Confident	78.1	Confident	19 Å²	19	69.4 Å²	69.4	16%	0.157	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	141.3	-175.1	0	0	0	0	0	112.5	F145 L149 S166 F167	F145-A147 HydrophobicContact CD2-CB 4.06Å; F145-A147 HydrophobicContact CE1-CB 4.43Å; F145-A147 HydrophobicContact CE2-CB 3.44Å; F145-A147 VanDerWaalsContact CE2-CB 3.44Å; F145-A147 HydrophobicContact CZ-CB 3.66Å; A147-L149 HydrophobicContact CB-CD2 4.47Å; A147-S166 WeakPolarHBondContact O-CA 3.35Å; A147-F167 PolarHBondContact N-O 2.8Å; A147-F167 PolarHBondContact O-N 3.45Å
148	N	86.6	Confident	75.7	Confident	97 Å²	97	72.9 Å²	72.9	52%	0.519	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	110.4	166.3	-168.9	-1.6	0	0	0	110.1	S150 S165	N148-S150 VanDerWaalsContact C-N 3.35Å; N148-S150 VanDerWaalsContact CG-OG 3.32Å; N148-S150 PolarHBondContact ND2-OG 3.17Å; N148-S150 VanDerWaalsContact ND2-OG 3.09Å; N148-S150 WeakPolarHBondContact OD1-CB 3.15Å; N148-S150 PolarHBondContact OD1-N 3.33Å; N148-S150 PolarHBondContact OD1-OG 3.19Å; N148-S165 PolarHBondContact OD1-O 3Å
149	L	80.7	Confident	73.2	Confident	34 Å²	34	80.6 Å²	80.6	18%	0.178	43%	0.427	C	S	.	.			trans	-92.1	9.9	176.6	-54	-179.2	0	0	0	112.6	F145 A147 T151 S165 F167 T224 R226 T227	F145-L149 HydrophobicContact CZ-CD1 4.41Å; A147-L149 HydrophobicContact CB-CD2 4.47Å; L149-T151 PolarHBondContact O-N 3Å; L149-S165 WeakPolarHBondContact CA-O 3.12Å; L149-S165 WeakPolarHBondContact CB-O 3.49Å; L149-S165 PolarHBondContact N-O 2.87Å; L149-F167 HydrophobicContact CD1-CD2 4.22Å; L149-F167 HydrophobicContact CD1-CE2 3.95Å; L149-T224 HydrophobicContact CD1-CG2 4.3Å; L149-R226 PolarHBondContact O-NE 3.23Å; L149-T227 HydrophobicContact CD1-CG2 4.27Å; L149-T227 HydrophobicContact CD2-CG2 4.11Å
150	S	68.7	Low	70.9	Confident	68 Å²	68	82.4 Å²	82.4	48%	0.476	44%	0.44	S	S	.	.			trans	-74.5	65.9	175.1	78.3	0	0	0	0	112.1	N148	N148-S150 VanDerWaalsContact C-N 3.35Å; N148-S150 VanDerWaalsContact CG-OG 3.32Å; N148-S150 PolarHBondContact ND2-OG 3.17Å; N148-S150 VanDerWaalsContact ND2-OG 3.09Å; N148-S150 WeakPolarHBondContact OD1-CB 3.15Å; N148-S150 PolarHBondContact OD1-N 3.33Å; N148-S150 PolarHBondContact OD1-OG 3.19Å
151	T	56.8	Low	68.6	Low	78 Å²	78	84.4 Å²	84.4	48%	0.479	46%	0.457	S	S	.	.			trans	-96.6	125.6	165	56.9	0	0	0	0	109.4	L149 E153 R226	L149-T151 PolarHBondContact O-N 3Å; T151-E153 PolarHBondContact O-N 2.76Å; T151-R226 PolarHBondContact O-NH2 2.91Å; T151-R226 PolarHBondContact OG1-NH2 3.29Å
152	K	46.9	Very low	66.4	Low	205 Å²	205	85.4 Å²	85.4	89%	0.891	46%	0.463	S	S	*	.			trans	-68.8	16.3	169.2	-73.5	-172	176.2	-178.8	0	112.8	T154	K152-T154 PolarHBondContact O-N 3.12Å
153	E	49.7	Very low	64.3	Low	153 Å²	153	89 Å²	89	72%	0.715	49%	0.486	S	S	*	.			trans	-72.7	87.6	168.9	-73.7	-176.2	167.4	0	0	107.9	T151 T155	T151-E153 PolarHBondContact O-N 2.76Å; E153-T155 VanDerWaalsContact C-N 3.29Å; E153-T155 PolarHBondContact O-N 3.14Å
154	T	41.1	Very low	62.6	Low	121 Å²	121	90.5 Å²	90.5	74%	0.742	49%	0.493	S	S	*	.			trans	-63.7	92.1	161.7	39.4	0	0	0	0	107.6	K152 P156	K152-T154 PolarHBondContact O-N 3.12Å; T154-P156 VanDerWaalsContact O-CD 3.31Å; T154-P156 WeakPolarHBondContact O-CD 3.48Å
155	T	48.1	Very low	61.2	Low	84 Å²	84	91.8 Å²	91.8	52%	0.515	50%	0.504	S	S	.	.			trans	-57.7	119.3	146.1	30	0	0	0	0	106	E153 N157 I158	E153-T155 VanDerWaalsContact C-N 3.29Å; E153-T155 PolarHBondContact O-N 3.14Å; T155-N157 PolarHBondContact O-N 3Å; T155-I158 PolarHBondContact O-N 2.66Å
156	P	45.9	Very low	60.5	Low	120 Å²	120	92 Å²	92	78%	0.779	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-0.7	-164.3	-26.8	34.5	0	0	0	117.1	T154	T154-P156 VanDerWaalsContact O-CD 3.31Å; T154-P156 WeakPolarHBondContact O-CD 3.48Å
157	N	48.9	Very low	60	Low	161 Å²	161	90.1 Å²	90.1	86%	0.861	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	12.5	-175.2	-74.1	-40	0	0	0	115.4	T155	T155-N157 PolarHBondContact O-N 3Å
158	I	47.6	Very low	60.2	Low	87 Å²	87	93.8 Å²	93.8	45%	0.446	51%	0.511	S	S	.	.			trans	-107.3	94.2	175.9	-56.9	178.2	0	0	0	109.7	T155 S160	T155-I158 PolarHBondContact O-N 2.66Å; I158-S160 VanDerWaalsContact C-N 3.28Å; I158-S160 PolarHBondContact O-N 2.91Å
159	K	46.9	Very low	60.6	Low	200 Å²	200	90.8 Å²	90.8	87%	0.87	49%	0.493	S	S	*	.			trans	-72.3	86.1	163.4	-74.7	-177.1	179.3	178.1	0	108.2	T161	K159-T161 PolarHBondContact O-N 2.91Å
160	S	49.1	Very low	61.3	Low	43 Å²	43	91.1 Å²	91.1	30%	0.301	50%	0.499	S	S	.	.			trans	-57.2	120.8	172.4	169.5	0	0	0	0	109.5	I158 C162	I158-S160 VanDerWaalsContact C-N 3.28Å; I158-S160 PolarHBondContact O-N 2.91Å; S160-C162 VanDerWaalsContact C-N 3.25Å; S160-C162 PolarHBondContact O-N 2.71Å; S160-C162 PolarHBondContact OG-N 3.1Å
161	T	51	Low	62.5	Low	102 Å²	102	94 Å²	94	63%	0.626	50%	0.503	S	S	*	.			trans	-77.3	-10.4	176	52.4	0	0	0	0	113	K159 T163	K159-T161 PolarHBondContact O-N 2.91Å; T161-T163 PolarHBondContact O-N 3.24Å
162	C	50.9	Low	64.3	Low	22 Å²	22	91.3 Å²	91.3	15%	0.149	49%	0.486	C	S	.	.			trans	-81.4	114.6	179.8	-151.1	0	0	0	0	110.4	S160 Q164	S160-C162 VanDerWaalsContact C-N 3.25Å; S160-C162 PolarHBondContact O-N 2.71Å; S160-C162 PolarHBondContact OG-N 3.1Å; C162-Q164 VanDerWaalsContact C-N 3.35Å
163	T	54.5	Low	66.7	Low	111 Å²	111	81.9 Å²	81.9	68%	0.681	45%	0.445	S	S	*	.			trans	-75.2	-26	173.9	51.1	0	0	0	0	111.9	T161 S165 E259	T161-T163 PolarHBondContact O-N 3.24Å; T163-S165 PolarHBondContact O-N 2.77Å; T163-E259 PolarHBondContact OG1-O 3.25Å
164	Q	63.5	Low	69	Low	75 Å²	75	76.8 Å²	76.8	35%	0.35	42%	0.419	S	S	.	.			trans	-83.2	106.9	179.7	-170.8	166.7	27.5	0	0	110.8	C162 S166 F167 G260	C162-Q164 VanDerWaalsContact C-N 3.35Å; Q164-S166 WeakPolarHBondContact CG-O 3.45Å; Q164-S166 PolarHBondContact NE2-O 3.36Å; Q164-F167 HydrophobicContact CB-CE1 4.33Å; Q164-F167 HydrophobicContact CB-CZ 3.92Å; Q164-F167 HydrophobicContact CG-CD1 4.32Å; Q164-F167 HydrophobicContact CG-CE1 3.83Å; Q164-F167 HydrophobicContact CG-CE2 4.16Å; Q164-F167 HydrophobicContact CG-CZ 3.74Å; Q164-F167 WeakPolarHBondContact O-CE2 3.29Å; Q164-F167 VanDerWaalsContact OE1-CE1 3.24Å; Q164-G260 VanDerWaalsContact CB-O 3.22Å; Q164-G260 WeakPolarHBondContact CB-O 3.36Å; Q164-G260 PolarHBondContact OE1-O 2.92Å
165	S	68	Low	71.7	Confident	54 Å²	54	72.9 Å²	72.9	38%	0.378	40%	0.399	S	S	.	.			trans	-89.2	-18.6	176.7	60	0	0	0	0	113	N148 L149 T163	N148-S165 PolarHBondContact OD1-O 3Å; L149-S165 WeakPolarHBondContact CA-O 3.12Å; L149-S165 WeakPolarHBondContact CB-O 3.49Å; L149-S165 PolarHBondContact N-O 2.87Å; T163-S165 PolarHBondContact O-N 2.77Å
166	S	80.8	Confident	74	Confident	33 Å²	33	69.4 Å²	69.4	23%	0.231	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.6	-174.8	-174.5	0	0	0	0	111.9	A147 Q164 F168	A147-S166 WeakPolarHBondContact O-CA 3.35Å; Q164-S166 WeakPolarHBondContact CG-O 3.45Å; Q164-S166 PolarHBondContact NE2-O 3.36Å; S166-F168 WeakPolarHBondContact OG-CE2 3.44Å; S166-F168 WeakPolarHBondContact OG-CZ 3.13Å
167	F	85.4	Confident	76.3	Confident	25 Å²	25	69.6 Å²	69.6	11%	0.11	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.4	-179.5	-61.9	-90.5	0	0	0	108.4	F145 D146 A147 L149 Q164 T224	F145-F167 HydrophobicContact CD1-CB 3.56Å; F145-F167 HydrophobicContact CD1-CD1 4.42Å; F145-F167 HydrophobicContact CD1-CD2 4.46Å; F145-F167 AromaticContact CD1-CG 3.91Å; F145-F167 HydrophobicContact CD1-CG 3.91Å; F145-F167 HydrophobicContact CE1-CB 3.55Å; F145-F167 HydrophobicContact CE1-CD1 4.22Å; F145-F167 AromaticContact CE1-CD2 3.62Å; F145-F167 HydrophobicContact CE1-CD2 3.62Å; F145-F167 HydrophobicContact CE1-CE2 4.4Å; F145-F167 AromaticContact CE1-CG 3.52Å; F145-F167 HydrophobicContact CE1-CG 3.52Å; F145-F167 HydrophobicContact CZ-CD2 4.34Å; D146-F167 CarbonylContact C-O 3.47Å; D146-F167 VanDerWaalsContact CA-O 3.31Å; D146-F167 WeakPolarHBondContact CA-O 3.21Å; A147-F167 PolarHBondContact N-O 2.8Å; A147-F167 PolarHBondContact O-N 3.45Å; L149-F167 HydrophobicContact CD1-CD2 4.22Å; L149-F167 HydrophobicContact CD1-CE2 3.95Å; Q164-F167 HydrophobicContact CB-CE1 4.33Å; Q164-F167 HydrophobicContact CB-CZ 3.92Å; Q164-F167 HydrophobicContact CG-CD1 4.32Å; Q164-F167 HydrophobicContact CG-CE1 3.83Å; Q164-F167 HydrophobicContact CG-CE2 4.16Å; Q164-F167 HydrophobicContact CG-CZ 3.74Å; Q164-F167 WeakPolarHBondContact O-CE2 3.29Å; Q164-F167 VanDerWaalsContact OE1-CE1 3.24Å; F167-T224 HydrophobicContact CD2-CG2 4.49Å; F167-T224 HydrophobicContact CE1-CG2 4.45Å; F167-T224 HydrophobicContact CE2-CG2 3.99Å; F167-T224 HydrophobicContact CZ-CG2 3.97Å
168	F	92.3	Very high	78.5	Confident	97 Å²	97	68.9 Å²	68.9	43%	0.425	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	77	175.9	-65.6	-73.8	0	0	0	108.6	D146 S166 S170 K171	D146-F168 HydrophobicContact CB-CD1 4.16Å; D146-F168 VanDerWaalsContact OD1-C 3.25Å; D146-F168 VanDerWaalsContact OD1-CA 3.25Å; D146-F168 WeakPolarHBondContact OD1-CA 3.06Å; S166-F168 WeakPolarHBondContact OG-CE2 3.44Å; S166-F168 WeakPolarHBondContact OG-CZ 3.13Å; F168-S170 PolarHBondContact O-N 3.47Å; F168-K171 HydrophobicContact CB-CD 3.85Å; F168-K171 HydrophobicContact CB-CG 3.91Å; F168-K171 PolarHBondContact O-N 2.93Å
169	E	95	Very high	80.7	Confident	33 Å²	33	66.9 Å²	66.9	15%	0.154	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-57.6	-35.5	179.5	-175.6	175.3	-169.3	0	0	111.1	N124 K141 L144 F145 D146 K171 T172 I173	N124-E169 PolarHBondContact ND2-OE1 2.74Å; K141-E169 VanDerWaalsContact NZ-CD 3.33Å; K141-E169 IonicContact NZ-OE1 2.72Å; K141-E169 PolarHBondContact NZ-OE1 3.4Å; K141-E169 IonicContact NZ-OE2 3.02Å; K141-E169 PolarHBondContact NZ-OE2 3.01Å; L144-E169 HydrophobicContact CB-CB 4.26Å; L144-E169 HydrophobicContact CB-CG 4.37Å; L144-E169 HydrophobicContact CD2-CG 4.35Å; F145-E169 HydrophobicContact CB-CB 4.4Å; F145-E169 WeakPolarHBondContact CB-OE2 3.39Å; F145-E169 PolarHBondContact N-OE2 3.49Å; F145-E169 PolarHBondContact O-N 3Å; F145-E169 VanDerWaalsContact O-N 3.12Å; D146-E169 PolarHBondContact OD1-N 3.32Å; E169-K171 PolarHBondContact O-N 2.89Å; E169-T172 PolarHBondContact O-N 3.43Å; E169-I173 HydrophobicContact CG-CB 3.84Å; E169-I173 HydrophobicContact CG-CG1 3.56Å; E169-I173 HydrophobicContact CG-CG2 4.49Å; E169-I173 PolarHBondContact O-N 3.31Å
170	S	95.9	Very high	82.9	Confident	42 Å²	42	57.8 Å²	57.8	29%	0.294	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-59.5	-18.2	179.5	68.3	0	0	0	0	115.5	Q121 D146 F168 T172 I173	Q121-S170 PolarHBondContact NE2-O 3.28Å; Q121-S170 VanDerWaalsContact NE2-O 3.09Å; D146-S170 VanDerWaalsContact CG-OG 3.25Å; D146-S170 PolarHBondContact OD1-N 3.22Å; D146-S170 PolarHBondContact OD1-OG 3.07Å; D146-S170 VanDerWaalsContact OD2-CB 3.22Å; D146-S170 WeakPolarHBondContact OD2-CB 3.42Å; D146-S170 PolarHBondContact OD2-OG 3.16Å; F168-S170 PolarHBondContact O-N 3.47Å; S170-T172 PolarHBondContact O-N 2.74Å; S170-I173 WeakPolarHBondContact CA-O 3.47Å
171	K	94.2	Very high	85.2	Confident	129 Å²	129	58.3 Å²	58.3	56%	0.561	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-67.6	-22.8	175.5	-70.4	-176.5	179.4	-179	0	113.3	R77 F168 E169	R77-K171 WeakPolarHBondContact CD-O 3.48Å; R77-K171 PolarHBondContact NE-O 3.41Å; F168-K171 HydrophobicContact CB-CD 3.85Å; F168-K171 HydrophobicContact CB-CG 3.91Å; F168-K171 PolarHBondContact O-N 2.93Å; E169-K171 PolarHBondContact O-N 2.89Å
172	T	95.4	Very high	87.4	Confident	20 Å²	20	54.4 Å²	54.4	12%	0.123	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-30.9	-175.6	-47.2	0	0	0	0	111.7	R77 T80 L81 Q121 L122 E169 S170	R77-T172 HydrophobicContact CG-CG2 4.02Å; R77-T172 WeakPolarHBondContact CG-OG1 3.45Å; T80-T172 HydrophobicContact CG2-CG2 3.74Å; L81-T172 HydrophobicContact CD2-CG2 4.45Å; L81-T172 HydrophobicContact CG-CG2 4.48Å; Q121-T172 WeakPolarHBondContact CA-O 3.3Å; L122-T172 PolarHBondContact N-O 3.16Å; E169-T172 PolarHBondContact O-N 3.43Å; S170-T172 PolarHBondContact O-N 2.74Å
173	I	97.3	Very high	89.7	Confident	8 Å²	8	53.9 Å²	53.9	4%	0.041	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-103.2	135.2	-177.6	-51.4	-55.9	0	0	0	109.9	L122 N124 L144 E169 S170	L122-I173 HydrophobicContact CB-CD1 4.12Å; L122-I173 CarbonylContact O-C 3.54Å; L122-I173 WeakPolarHBondContact O-CA 3.22Å; L122-I173 WeakPolarHBondContact O-CG2 3.31Å; N124-I173 HydrophobicContact CB-CG2 3.87Å; L144-I173 HydrophobicContact CD1-CB 4.34Å; L144-I173 HydrophobicContact CD1-CG2 4.4Å; L144-I173 WeakPolarHBondContact CD1-O 3.21Å; L144-I173 HydrophobicContact CD2-CB 4.22Å; L144-I173 HydrophobicContact CD2-CG2 3.64Å; E169-I173 HydrophobicContact CG-CB 3.84Å; E169-I173 HydrophobicContact CG-CG1 3.56Å; E169-I173 HydrophobicContact CG-CG2 4.49Å; E169-I173 PolarHBondContact O-N 3.31Å; S170-I173 WeakPolarHBondContact CA-O 3.47Å
174	R	96.8	Very high	91.6	Very high	45 Å²	45	54.5 Å²	54.5	17%	0.17	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-86.6	134.7	168.5	-174.3	-173.6	-81.6	-156	-8.5	109.1	T115 E117 D119 Q121 L122 Y123	T115-R174 HydrophobicContact CG2-CB 4.45Å; E117-R174 IonicContact OE1-CZ 2.64Å; E117-R174 IonicContact OE1-NH1 3.11Å; E117-R174 PolarHBondContact OE1-NH1 3.05Å; E117-R174 IonicContact OE2-CZ 3.29Å; E117-R174 VanDerWaalsContact OE2-CZ 3.29Å; E117-R174 IonicContact OE2-NH1 2.97Å; E117-R174 PolarHBondContact OE2-NH1 2.87Å; E117-R174 IonicContact OE2-NH2 2.7Å; E117-R174 PolarHBondContact OE2-NH2 2.87Å; D119-R174 IonicContact OD1-NH2 2.86Å; D119-R174 IonicContact OD2-CZ 2.9Å; D119-R174 VanDerWaalsContact OD2-CZ 3.24Å; D119-R174 IonicContact OD2-NE 3.57Å; D119-R174 PolarHBondContact OD2-NE 3.35Å; D119-R174 VanDerWaalsContact OD2-NE 3.11Å; D119-R174 IonicContact OD2-NH2 3.1Å; D119-R174 PolarHBondContact OD2-NH2 2.79Å; Q121-R174 HydrophobicContact CB-CB 3.97Å; L122-R174 PolarHBondContact O-N 3.48Å; Y123-R174 HydrophobicContact CD1-CB 4.15Å; Y123-R174 WeakPolarHBondContact CD1-O 3.48Å; Y123-R174 HydrophobicContact CE1-CB 3.93Å; Y123-R174 HydrophobicContact CE1-CG 3.88Å; Y123-R174 WeakPolarHBondContact OH-CD 3.37Å
175	A	97.5	Very high	92.9	Very high	39 Å²	39	57.6 Å²	57.6	32%	0.322	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-68.4	139.9	175.4	0	0	0	0	0	110.3	L144	L144-A175 HydrophobicContact CD1-CB 4.05Å; L144-A175 HydrophobicContact CG-CB 4.08Å
176	G	97	Very high	94.2	Very high	11 Å²	11	55.5 Å²	55.5	11%	0.113	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-61.3	146.8	166	0	0	0	0	0	111.1	K141 V142	K141-G176 PolarHBondContact O-N 2.9Å; V142-G176 WeakPolarHBondContact CG1-O 3.17Å
177	T	95.3	Very high	94.9	Very high	125 Å²	125	55.5 Å²	55.5	77%	0.767	30%	0.297	S	S	*	.			trans	-104.9	-6.8	178.5	55	0	0	0	0	113.1
178	E	94.3	Very high	95.4	Very high	146 Å²	146	54.3 Å²	54.3	68%	0.682	29%	0.292	S	S	*	.	S	Bend	trans	-103.7	144.5	-177.7	-61.9	-56.1	144.6	0	0	111.3	V142	V142-E178 WeakPolarHBondContact CG1-O 3.22Å
179	A	93	Very high	95.5	Very high	45 Å²	45	50.3 Å²	50.3	37%	0.372	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-60	149.1	172.8	0	0	0	0	0	111
180	P	94.7	Very high	95.6	Very high	8 Å²	8	49.8 Å²	49.8	5%	0.052	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-64.8	144.5	-177.2	33.5	-42.2	0	0	0	111.8	Y139 L193 L204 L208	Y139-P180 HydrophobicContact CD2-CB 3.93Å; Y139-P180 HydrophobicContact CE2-CB 3.66Å; P180-L193 VanDerWaalsContact CB-O 3.3Å; P180-L193 WeakPolarHBondContact CB-O 3.3Å; P180-L204 HydrophobicContact CB-CD2 4.46Å; P180-L204 HydrophobicContact CG-CD1 4.46Å; P180-L204 HydrophobicContact CG-CD2 4.05Å; P180-L204 HydrophobicContact CG-CG 3.89Å; P180-L208 HydrophobicContact CB-CD1 4.45Å; P180-L208 HydrophobicContact CB-CD2 3.82Å; P180-L208 HydrophobicContact CB-CG 4.21Å; P180-L208 HydrophobicContact CG-CD1 4.44Å; P180-L208 HydrophobicContact CG-CD2 3.86Å; P180-L208 HydrophobicContact CG-CG 3.89Å
181	I	96.1	Very high	95.7	Very high	54 Å²	54	47.8 Å²	47.8	28%	0.277	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-95.7	159.4	-175.6	65.6	174.6	0	0	0	112.1	I183 L193 L208	I181-I183 HydrophobicContact CD1-CD1 3.61Å; I181-I183 HydrophobicContact CG1-CD1 4.11Å; I181-L193 HydrophobicContact CD1-CD1 4.12Å; I181-L193 HydrophobicContact CG1-CD1 3.96Å; I181-L193 HydrophobicContact CG1-CG 4.3Å; I181-L193 PolarHBondContact O-N 2.78Å; I181-L208 WeakPolarHBondContact O-CD2 3.14Å
182	V	98.1	Very high	95.9	Very high	21 Å²	21	41.6 Å²	41.6	13%	0.127	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.8	169.5	170.8	0	0	0	0	108.7	Q184 N190 L191 L208 K212 A214	V182-Q184 PolarHBondContact O-N 3.4Å; V182-N190 HydrophobicContact CG1-CB 3.54Å; V182-L191 CarbonylContact C-O 3.59Å; V182-L191 VanDerWaalsContact CA-O 3.32Å; V182-L191 WeakPolarHBondContact CA-O 3.21Å; V182-L208 HydrophobicContact CG2-CD2 3.65Å; V182-K212 HydrophobicContact CB-CB 3.82Å; V182-K212 HydrophobicContact CG2-CB 3.29Å; V182-K212 HydrophobicContact CG2-CG 4.27Å; V182-A214 HydrophobicContact CG2-CB 3.95Å
183	I	98.1	Very high	96.1	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.051	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	119.3	173.5	-46.7	-53.9	0	0	0	108	W105 V128 M136 I181 T186 N190 L191 L193	W105-I183 HydrophobicContact CZ3-CG2 4.25Å; V128-I183 HydrophobicContact CB-CG1 4.23Å; V128-I183 HydrophobicContact CG2-CG1 4.17Å; M136-I183 HydrophobicContact CB-CG2 3.71Å; I181-I183 HydrophobicContact CD1-CD1 3.61Å; I181-I183 HydrophobicContact CG1-CD1 4.11Å; I183-T186 HydrophobicContact CB-CG2 3.84Å; I183-T186 HydrophobicContact CG2-CG2 3.69Å; I183-T186 WeakPolarHBondContact O-CG2 3.25Å; I183-N190 WeakPolarHBondContact O-CA 3.28Å; I183-L191 PolarHBondContact N-O 3.08Å; I183-L191 PolarHBondContact O-N 2.92Å; I183-L193 HydrophobicContact CD1-CD1 4.17Å; I183-L193 HydrophobicContact CG1-CD1 4.08Å; I183-L193 HydrophobicContact CG1-CD2 4.39Å; I183-L193 HydrophobicContact CG1-CG 4.3Å
184	Q	95	Very high	96.2	Very high	125 Å²	125	40.3 Å²	40.3	58%	0.584	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	158.5	178.4	-62.3	-175	-6	0	0	111.3	V182 T186	V182-Q184 PolarHBondContact O-N 3.4Å; Q184-T186 PolarHBondContact O-N 3.16Å; Q184-T186 VanDerWaalsContact O-N 3.17Å
185	N	90.4	Very high	96.3	Very high	139 Å²	139	38.1 Å²	38.1	74%	0.743	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	57.1	30.7	172.5	-53.3	-52.4	0	0	0	114.7
186	T	96.4	Very high	96.3	Very high	10 Å²	10	36.8 Å²	36.8	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	166	170.7	78.3	0	0	0	0	110.1	W105 I183 Q184 V188 G189 L191	W105-T186 HydrophobicContact CE3-CG2 4.3Å; W105-T186 HydrophobicContact CH2-CG2 4.23Å; W105-T186 HydrophobicContact CZ3-CG2 3.7Å; I183-T186 HydrophobicContact CB-CG2 3.84Å; I183-T186 HydrophobicContact CG2-CG2 3.69Å; I183-T186 WeakPolarHBondContact O-CG2 3.25Å; Q184-T186 PolarHBondContact O-N 3.16Å; Q184-T186 VanDerWaalsContact O-N 3.17Å; T186-V188 PolarHBondContact O-N 3.31Å; T186-V188 VanDerWaalsContact OG1-CG2 3.25Å; T186-V188 WeakPolarHBondContact OG1-CG2 3.39Å; T186-V188 PolarHBondContact OG1-N 3.12Å; T186-V188 VanDerWaalsContact OG1-N 3.14Å; T186-G189 WeakPolarHBondContact CB-O 3.28Å; T186-G189 PolarHBondContact N-O 3.31Å; T186-G189 PolarHBondContact O-N 3.25Å; T186-G189 PolarHBondContact OG1-N 3.28Å; T186-G189 PolarHBondContact OG1-O 3.17Å; T186-L191 HydrophobicContact CG2-CB 3.87Å
187	P	95.2	Very high	96.4	Very high	33 Å²	33	38.5 Å²	38.5	21%	0.214	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-18.4	171.8	-26.8	36	0	0	0	113.9	T29 K62 W105	T29-P187 VanDerWaalsContact CB-O 3.32Å; T29-P187 WeakPolarHBondContact CB-O 3.43Å; T29-P187 HydrophobicContact CG2-CB 3.96Å; T29-P187 WeakPolarHBondContact CG2-O 3.38Å; T29-P187 PolarHBondContact OG1-O 3.17Å; K62-P187 HydrophobicContact CB-CB 3.83Å; K62-P187 HydrophobicContact CB-CG 4.32Å; W105-P187 HydrophobicContact CB-CG 4.26Å; W105-P187 VanDerWaalsContact CD2-CD 3.45Å; W105-P187 HydrophobicContact CD2-CG 4Å; W105-P187 HydrophobicContact CG-CG 3.68Å
188	V	95.6	Very high	96.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	24.3	-179.6	-60.3	0	0	0	0	112.5	T29 V31 I63 F65 T186 L191 V216 I292 F295	T29-V188 HydrophobicContact CG2-CG1 3.9Å; V31-V188 HydrophobicContact CG1-CG1 3.49Å; V31-V188 VanDerWaalsContact CG1-CG1 3.49Å; I63-V188 HydrophobicContact CG2-CG1 3.55Å; F65-V188 HydrophobicContact CZ-CG2 4.42Å; T186-V188 PolarHBondContact O-N 3.31Å; T186-V188 VanDerWaalsContact OG1-CG2 3.25Å; T186-V188 WeakPolarHBondContact OG1-CG2 3.39Å; T186-V188 PolarHBondContact OG1-N 3.12Å; T186-V188 VanDerWaalsContact OG1-N 3.14Å; V188-L191 HydrophobicContact CG2-CB 4.47Å; V188-L191 HydrophobicContact CG2-CD1 4.43Å; V188-V216 HydrophobicContact CB-CG2 3.98Å; V188-V216 HydrophobicContact CG2-CB 4.42Å; V188-V216 HydrophobicContact CG2-CG2 3.99Å; V188-V216 WeakPolarHBondContact O-CG2 3.21Å; V188-I292 HydrophobicContact CB-CD1 3.95Å; V188-I292 HydrophobicContact CG1-CD1 3.72Å; V188-I292 HydrophobicContact CG1-CG1 4.1Å; V188-F295 VanDerWaalsContact CA-CE2 3.44Å; V188-F295 HydrophobicContact CB-CE2 3.97Å; V188-F295 HydrophobicContact CB-CZ 4.24Å; V188-F295 WeakPolarHBondContact O-CD2 3.48Å; V188-F295 VanDerWaalsContact O-CE2 3.32Å; V188-F295 WeakPolarHBondContact O-CE2 3.44Å; V188-F295 WeakPolarHBondContact O-CZ 3.38Å
189	G	94.2	Very high	96.7	Very high	13 Å²	13	25.6 Å²	25.6	13%	0.134	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.3	-133.2	-176.5	0	0	0	0	0	111.8	T186	T186-G189 WeakPolarHBondContact CB-O 3.28Å; T186-G189 PolarHBondContact N-O 3.31Å; T186-G189 PolarHBondContact O-N 3.25Å; T186-G189 PolarHBondContact OG1-N 3.28Å; T186-G189 PolarHBondContact OG1-O 3.17Å
190	N	97.2	Very high	97	Very high	22 Å²	22	26.6 Å²	26.6	12%	0.118	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	116.5	-179.6	-64.9	-10.3	0	0	0	109.5	V182 I183 N213 H215 V216	V182-N190 HydrophobicContact CG1-CB 3.54Å; I183-N190 WeakPolarHBondContact O-CA 3.28Å; N190-N213 VanDerWaalsContact CB-O 3.23Å; N190-N213 WeakPolarHBondContact CB-O 3.2Å; N190-N213 PolarHBondContact ND2-O 3.43Å; N190-H215 WeakPolarHBondContact CB-ND1 3.26Å; N190-H215 PolarHBondContact N-ND1 3.37Å; N190-H215 PolarHBondContact O-N 3.37Å; N190-V216 PolarHBondContact O-N 3.43Å; N190-V216 VanDerWaalsContact O-N 3.11Å
191	L	98.5	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	110.6	-173.4	179.1	61.6	0	0	0	110.9	I63 F65 V128 V182 I183 T186 V188 L193 V216	I63-L191 HydrophobicContact CD1-CD2 4.11Å; F65-L191 HydrophobicContact CE1-CD1 3.92Å; F65-L191 HydrophobicContact CE1-CD2 3.94Å; F65-L191 HydrophobicContact CZ-CD1 4.25Å; F65-L191 HydrophobicContact CZ-CD2 4.35Å; V128-L191 HydrophobicContact CG2-CD2 4.15Å; V182-L191 CarbonylContact C-O 3.59Å; V182-L191 VanDerWaalsContact CA-O 3.32Å; V182-L191 WeakPolarHBondContact CA-O 3.21Å; I183-L191 PolarHBondContact N-O 3.08Å; I183-L191 PolarHBondContact O-N 2.92Å; T186-L191 HydrophobicContact CG2-CB 3.87Å; V188-L191 HydrophobicContact CG2-CB 4.47Å; V188-L191 HydrophobicContact CG2-CD1 4.43Å; L191-L193 HydrophobicContact CD2-CD2 4.11Å; L191-L193 HydrophobicContact CG-CD2 3.93Å; L191-V216 HydrophobicContact CD1-CB 3.85Å; L191-V216 HydrophobicContact CD1-CG1 3.74Å
192	G	98.7	Very high	97.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.7	172.7	0	0	0	0	0	112.3	V216 S218	G192-V216 PolarHBondContact N-O 3.49Å; G192-S218 PolarHBondContact O-N 3.32Å
193	L	98.8	Very high	97.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.4	-177.7	-50.8	-171.6	0	0	0	110.8	H126 V128 Y139 P180 I181 I183 L191	H126-L193 HydrophobicContact CB-CB 4.37Å; V128-L193 HydrophobicContact CG2-CD1 3.91Å; V128-L193 HydrophobicContact CG2-CD2 3.57Å; V128-L193 HydrophobicContact CG2-CG 4.4Å; Y139-L193 HydrophobicContact CD1-CB 4.33Å; Y139-L193 HydrophobicContact CG-CB 4.29Å; P180-L193 VanDerWaalsContact CB-O 3.3Å; P180-L193 WeakPolarHBondContact CB-O 3.3Å; I181-L193 HydrophobicContact CD1-CD1 4.12Å; I181-L193 HydrophobicContact CG1-CD1 3.96Å; I181-L193 HydrophobicContact CG1-CG 4.3Å; I181-L193 PolarHBondContact O-N 2.78Å; I183-L193 HydrophobicContact CD1-CD1 4.17Å; I183-L193 HydrophobicContact CG1-CD1 4.08Å; I183-L193 HydrophobicContact CG1-CD2 4.39Å; I183-L193 HydrophobicContact CG1-CG 4.3Å; L191-L193 HydrophobicContact CD2-CD2 4.11Å; L191-L193 HydrophobicContact CG-CD2 3.93Å
194	A	98.8	Very high	97	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.			trans	-141.3	173.9	168.1	0	0	0	0	0	108.7	H126 D198 L204 L208 S218 Y219 P220	H126-A194 PolarHBondContact ND1-O 3.21Å; A194-D198 HydrophobicContact CB-CB 3.77Å; A194-L204 HydrophobicContact CB-CD2 3.8Å; A194-L208 HydrophobicContact CB-CD1 4.47Å; A194-S218 CarbonylContact C-O 3.49Å; A194-S218 PolarHBondContact N-O 2.73Å; A194-Y219 HydrophobicContact CB-CD1 3.63Å; A194-Y219 HydrophobicContact CB-CE1 3.41Å; A194-Y219 VanDerWaalsContact CB-CE1 3.41Å; A194-P220 VanDerWaalsContact O-CD 3.28Å; A194-P220 WeakPolarHBondContact O-CD 3.28Å
195	I	98.9	Very high	97.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.			trans	-139.9	124.4	176.7	-53.4	175.9	0	0	0	110.1	E68 N124 H126 Y139 K141 Y197 D198 P220	E68-I195 HydrophobicContact CB-CG2 4.08Å; E68-I195 HydrophobicContact CG-CG2 3.8Å; E68-I195 WeakPolarHBondContact OE1-CG2 3.2Å; N124-I195 WeakPolarHBondContact O-CD1 3.42Å; N124-I195 WeakPolarHBondContact OD1-CD1 3.42Å; H126-I195 HydrophobicContact CB-CD1 3.75Å; H126-I195 HydrophobicContact CB-CG1 3.79Å; Y139-I195 HydrophobicContact CD1-CD1 4.33Å; Y139-I195 HydrophobicContact CD1-CG1 4.18Å; Y139-I195 HydrophobicContact CE1-CD1 4.42Å; Y139-I195 HydrophobicContact CE1-CG1 4.09Å; K141-I195 HydrophobicContact CB-CB 4.3Å; K141-I195 HydrophobicContact CB-CD1 3.93Å; K141-I195 HydrophobicContact CB-CG1 4.5Å; K141-I195 HydrophobicContact CD-CB 3.91Å; K141-I195 HydrophobicContact CD-CG2 3.92Å; K141-I195 WeakPolarHBondContact CE-O 3.47Å; K141-I195 HydrophobicContact CG-CB 4Å; I195-Y197 PolarHBondContact O-N 2.94Å; I195-D198 PolarHBondContact N-OD2 2.85Å; I195-D198 WeakPolarHBondContact O-CB 3.3Å; I195-D198 PolarHBondContact O-N 3.36Å; I195-P220 HydrophobicContact CG1-CG 4.49Å
196	C	98.4	Very high	97.5	Very high	10 Å²	10	20.6 Å²	20.6	7%	0.068	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	44.1	-101.4	165.8	-168.3	0	0	0	0	114.8	E68 D198 M199 P220 S221	E68-C196 WeakPolarHBondContact OE2-CB 3.47Å; E68-C196 PolarHBondContact OE2-SG 3.39Å; E68-C196 VanDerWaalsContact OE2-SG 3.33Å; C196-D198 PolarHBondContact O-N 3.24Å; C196-D198 VanDerWaalsContact O-N 3.12Å; C196-M199 WeakPolarHBondContact O-CB 3.49Å; C196-M199 WeakPolarHBondContact O-CG 3.29Å; C196-M199 PolarHBondContact O-N 2.86Å; C196-P220 PolarHBondContact N-O 2.76Å; C196-S221 VanDerWaalsContact CA-OG 3.26Å; C196-S221 WeakPolarHBondContact CA-OG 3.44Å
197	Y	98.2	Very high	97.4	Very high	48 Å²	48	21 Å²	21	19%	0.188	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-58.5	-26.6	-175.3	-162.7	-127	0	0	0	113.9	H143 L144 F145 I195 M199 R200 F201	H143-Y197 HydrophobicContact CB-CD1 3.97Å; L144-Y197 VanDerWaalsContact O-CD1 3.31Å; L144-Y197 WeakPolarHBondContact O-CD1 3.27Å; L144-Y197 WeakPolarHBondContact O-CE1 3.33Å; F145-Y197 HydrophobicContact CB-CD1 4.47Å; F145-Y197 HydrophobicContact CB-CG 4.2Å; F145-Y197 HydrophobicContact CD2-CD1 4.39Å; F145-Y197 AromaticContact CD2-CD2 3.36Å; F145-Y197 HydrophobicContact CD2-CD2 3.36Å; F145-Y197 HydrophobicContact CD2-CE1 4.47Å; F145-Y197 AromaticContact CD2-CE2 3.42Å; F145-Y197 HydrophobicContact CD2-CE2 3.42Å; F145-Y197 VanDerWaalsContact CD2-CE2 3.42Å; F145-Y197 AromaticContact CD2-CG 3.88Å; F145-Y197 HydrophobicContact CD2-CG 3.88Å; F145-Y197 AromaticContact CE2-CD2 3.94Å; F145-Y197 HydrophobicContact CE2-CD2 3.94Å; F145-Y197 AromaticContact CE2-CE2 3.75Å; F145-Y197 HydrophobicContact CE2-CE2 3.75Å; F145-Y197 HydrophobicContact CG-CD2 4.31Å; F145-Y197 HydrophobicContact CG-CG 4.5Å; I195-Y197 PolarHBondContact O-N 2.94Å; Y197-M199 PolarHBondContact O-N 3.49Å; Y197-R200 HydrophobicContact CD2-CG 4.21Å; Y197-R200 HydrophobicContact CE2-CG 4.28Å; Y197-R200 WeakPolarHBondContact O-CB 3.41Å; Y197-R200 PolarHBondContact O-N 3.08Å; Y197-F201 AromaticContact CD1-CE2 3.71Å; Y197-F201 HydrophobicContact CD1-CE2 3.71Å; Y197-F201 HydrophobicContact CD1-CZ 4.18Å; Y197-F201 AromaticContact CE1-CE2 3.75Å; Y197-F201 HydrophobicContact CE1-CE2 3.75Å; Y197-F201 AromaticContact CE1-CZ 3.76Å; Y197-F201 HydrophobicContact CE1-CZ 3.76Å; Y197-F201 HydrophobicContact CG-CE2 4.25Å; Y197-F201 VanDerWaalsContact O-CD2 3.29Å; Y197-F201 WeakPolarHBondContact O-CD2 3.43Å; Y197-F201 WeakPolarHBondContact O-CE2 3.33Å
198	D	98.7	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-50.8	-30.1	170.5	-74.7	-30	0	0	0	112.7	Y139 H143 A194 I195 C196 R200 F201 L204 Y219	Y139-D198 VanDerWaalsContact CE1-OD2 3.26Å; Y139-D198 WeakPolarHBondContact CE1-OD2 3.36Å; Y139-D198 VanDerWaalsContact OH-CG 3.22Å; Y139-D198 PolarHBondContact OH-OD1 3.5Å; Y139-D198 PolarHBondContact OH-OD2 2.89Å; H143-D198 WeakPolarHBondContact CB-OD1 3.44Å; H143-D198 IonicContact CE1-OD1 3.55Å; H143-D198 IonicContact CG-OD1 3.3Å; H143-D198 PolarHBondContact N-OD1 3.21Å; H143-D198 IonicContact ND1-OD1 3.98Å; H143-D198 PolarHBondContact ND1-OD1 3.42Å; A194-D198 HydrophobicContact CB-CB 3.77Å; I195-D198 PolarHBondContact N-OD2 2.85Å; I195-D198 WeakPolarHBondContact O-CB 3.3Å; I195-D198 PolarHBondContact O-N 3.36Å; C196-D198 PolarHBondContact O-N 3.24Å; C196-D198 VanDerWaalsContact O-N 3.12Å; D198-R200 PolarHBondContact O-N 3.21Å; D198-R200 VanDerWaalsContact O-N 3.11Å; D198-F201 PolarHBondContact O-N 3.46Å; D198-F201 VanDerWaalsContact O-N 3.08Å; D198-L204 HydrophobicContact CB-CD1 3.68Å; D198-L204 HydrophobicContact CB-CD2 4.33Å; D198-L204 VanDerWaalsContact CG-CD1 3.49Å; D198-L204 WeakPolarHBondContact OD1-CD1 3.32Å; D198-Y219 HydrophobicContact CB-CE1 4.4Å
199	M	98.3	Very high	97.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-62.1	-18.4	177.6	83.6	-166.9	-37	0	0	113.3	C196 Y197 F201 Y219 Y223 W233 L236 I237 R240	C196-M199 WeakPolarHBondContact O-CB 3.49Å; C196-M199 WeakPolarHBondContact O-CG 3.29Å; C196-M199 PolarHBondContact O-N 2.86Å; Y197-M199 PolarHBondContact O-N 3.49Å; M199-F201 VanDerWaalsContact C-N 3.28Å; M199-Y219 VanDerWaalsContact CA-CE1 3.47Å; M199-Y219 HydrophobicContact CB-CD1 3.53Å; M199-Y219 HydrophobicContact CB-CE1 3.77Å; M199-Y219 HydrophobicContact CB-CG 3.98Å; M199-Y223 HydrophobicContact SD-CD2 3.99Å; M199-Y223 HydrophobicContact SD-CE2 3.36Å; M199-Y223 WeakPolarHBondContact SD-CE2 3.44Å; M199-W233 HydrophobicContact CE-CE3 3.67Å; M199-W233 HydrophobicContact CE-CH2 4.35Å; M199-W233 HydrophobicContact CE-CZ3 3.49Å; M199-W233 VanDerWaalsContact CE-CZ3 3.49Å; M199-W233 HydrophobicContact SD-CE3 3.92Å; M199-W233 HydrophobicContact SD-CZ3 3.83Å; M199-L236 HydrophobicContact CE-CB 4.36Å; M199-L236 HydrophobicContact CG-CB 4.3Å; M199-L236 HydrophobicContact CG-CD1 4.15Å; M199-L236 HydrophobicContact SD-CD1 4.45Å; M199-I237 HydrophobicContact CE-CD1 3.04Å; M199-I237 HydrophobicContact CE-CG1 3.33Å; M199-R240 PolarHBondContact O-NE 2.97Å; M199-R240 PolarHBondContact O-NH2 3.3Å
200	R	98.1	Very high	97.6	Very high	66 Å²	66	20.4 Å²	20.4	25%	0.249	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-79.2	-12.6	177.6	-67.6	-167.9	-173.1	-83.4	-6.2	113.1	Y197 D198 P202 Y223 H232 L236 R240	Y197-R200 HydrophobicContact CD2-CG 4.21Å; Y197-R200 HydrophobicContact CE2-CG 4.28Å; Y197-R200 WeakPolarHBondContact O-CB 3.41Å; Y197-R200 PolarHBondContact O-N 3.08Å; D198-R200 PolarHBondContact O-N 3.21Å; D198-R200 VanDerWaalsContact O-N 3.11Å; R200-P202 VanDerWaalsContact O-CD 3.28Å; R200-P202 WeakPolarHBondContact O-CD 3.15Å; R200-Y223 PolarHBondContact NH2-OH 2.77Å; R200-H232 PolarHBondContact NH1-ND1 2.85Å; R200-H232 PolarHBondContact NH2-ND1 3.47Å; R200-L236 HydrophobicContact CG-CD1 3.8Å; R200-R240 VanDerWaalsContact C-NH2 3.27Å; R200-R240 PolarHBondContact O-NH2 2.74Å
201	F	98.1	Very high	97.3	Very high	48 Å²	48	19.9 Å²	19.9	21%	0.211	10%	0.096	C	C	.	.			trans	-106.8	95.3	-172.7	-58.5	-89	0	0	0	110.2	H143 Y197 D198 M199 E203 L204	H143-F201 HydrophobicContact CB-CD2 3.8Å; H143-F201 HydrophobicContact CB-CE2 3.41Å; H143-F201 VanDerWaalsContact CB-CE2 3.41Å; H143-F201 HydrophobicContact CB-CZ 3.99Å; H143-F201 AromaticContact CD2-CD1 3.64Å; H143-F201 AromaticContact CD2-CD2 3.66Å; H143-F201 AromaticContact CD2-CE1 3.57Å; H143-F201 AromaticContact CD2-CE2 3.61Å; H143-F201 AromaticContact CD2-CG 3.68Å; H143-F201 AromaticContact CD2-CZ 3.56Å; H143-F201 AromaticContact CE1-CD2 3.93Å; H143-F201 AromaticContact CE1-CG 3.68Å; H143-F201 AromaticContact CG-CD2 3.4Å; H143-F201 AromaticContact CG-CE2 3.42Å; H143-F201 VanDerWaalsContact CG-CE2 3.42Å; H143-F201 AromaticContact CG-CG 3.84Å; H143-F201 AromaticContact CG-CZ 3.86Å; H143-F201 AromaticContact ND1-CD2 3.59Å; H143-F201 AromaticContact ND1-CG 3.84Å; H143-F201 AromaticContact NE2-CD1 3.6Å; H143-F201 AromaticContact NE2-CD2 4Å; H143-F201 AromaticContact NE2-CE1 4Å; H143-F201 AromaticContact NE2-CG 3.59Å; Y197-F201 AromaticContact CD1-CE2 3.71Å; Y197-F201 HydrophobicContact CD1-CE2 3.71Å; Y197-F201 HydrophobicContact CD1-CZ 4.18Å; Y197-F201 AromaticContact CE1-CE2 3.75Å; Y197-F201 HydrophobicContact CE1-CE2 3.75Å; Y197-F201 AromaticContact CE1-CZ 3.76Å; Y197-F201 HydrophobicContact CE1-CZ 3.76Å; Y197-F201 HydrophobicContact CG-CE2 4.25Å; Y197-F201 VanDerWaalsContact O-CD2 3.29Å; Y197-F201 WeakPolarHBondContact O-CD2 3.43Å; Y197-F201 WeakPolarHBondContact O-CE2 3.33Å; D198-F201 PolarHBondContact O-N 3.46Å; D198-F201 VanDerWaalsContact O-N 3.08Å; M199-F201 VanDerWaalsContact C-N 3.28Å; F201-E203 VanDerWaalsContact C-OE2 3.23Å; F201-E203 WeakPolarHBondContact CA-OE2 3.42Å; F201-E203 PolarHBondContact O-N 2.9Å; F201-L204 HydrophobicContact CB-CB 4.23Å; F201-L204 WeakPolarHBondContact O-CB 3.26Å; F201-L204 PolarHBondContact O-N 2.94Å; F201-L204 VanDerWaalsContact O-N 3.13Å
202	P	97.2	Very high	97.1	Very high	53 Å²	53	23.4 Å²	23.4	34%	0.344	11%	0.111	S	C	.	.	H	α-helix	trans	-60.6	-27.1	-177.5	24.7	-34.3	0	0	0	113.8	R200 L204 A205 S206	R200-P202 VanDerWaalsContact O-CD 3.28Å; R200-P202 WeakPolarHBondContact O-CD 3.15Å; P202-L204 VanDerWaalsContact C-N 3.3Å; P202-L204 PolarHBondContact O-N 2.88Å; P202-A205 PolarHBondContact O-N 2.71Å; P202-S206 WeakPolarHBondContact O-CB 3.4Å; P202-S206 PolarHBondContact O-N 2.88Å; P202-S206 PolarHBondContact O-OG 2.81Å; P202-S206 VanDerWaalsContact O-OG 3.07Å
203	E	95.8	Very high	96.8	Very high	108 Å²	108	27.4 Å²	27.4	51%	0.505	13%	0.132	S	C	.	.	H	α-helix	trans	-63.1	-35.7	175.3	65.9	-84.5	-152.2	0	0	112.1	F201 S206 H207	F201-E203 VanDerWaalsContact C-OE2 3.23Å; F201-E203 WeakPolarHBondContact CA-OE2 3.42Å; F201-E203 PolarHBondContact O-N 2.9Å; E203-S206 PolarHBondContact O-N 3Å; E203-H207 WeakPolarHBondContact O-CB 2.93Å; E203-H207 PolarHBondContact O-N 3.19Å
204	L	97.5	Very high	96.7	Very high	9 Å²	9	27.4 Å²	27.4	5%	0.047	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-45.7	175.8	-172.5	153	0	0	0	110.4	V142 P180 A194 D198 F201 P202 H207 L208	V142-L204 HydrophobicContact CG2-CD1 4.02Å; P180-L204 HydrophobicContact CB-CD2 4.46Å; P180-L204 HydrophobicContact CG-CD1 4.46Å; P180-L204 HydrophobicContact CG-CD2 4.05Å; P180-L204 HydrophobicContact CG-CG 3.89Å; A194-L204 HydrophobicContact CB-CD2 3.8Å; D198-L204 HydrophobicContact CB-CD1 3.68Å; D198-L204 HydrophobicContact CB-CD2 4.33Å; D198-L204 VanDerWaalsContact CG-CD1 3.49Å; D198-L204 WeakPolarHBondContact OD1-CD1 3.32Å; F201-L204 HydrophobicContact CB-CB 4.23Å; F201-L204 WeakPolarHBondContact O-CB 3.26Å; F201-L204 PolarHBondContact O-N 2.94Å; F201-L204 VanDerWaalsContact O-N 3.13Å; P202-L204 VanDerWaalsContact C-N 3.3Å; P202-L204 PolarHBondContact O-N 2.88Å; L204-H207 WeakPolarHBondContact O-CB 3.43Å; L204-H207 PolarHBondContact O-N 2.93Å; L204-L208 HydrophobicContact CD2-CD1 3.74Å; L204-L208 HydrophobicContact CD2-CG 4.36Å; L204-L208 PolarHBondContact O-N 2.93Å
205	A	98.1	Very high	96.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-67.5	-39.9	178.4	0	0	0	0	0	112	P202 H207 L208 R209 L217 Y219 R240 N244	P202-A205 PolarHBondContact O-N 2.71Å; A205-H207 VanDerWaalsContact C-N 3.32Å; A205-H207 PolarHBondContact O-N 3.33Å; A205-L208 PolarHBondContact O-N 2.83Å; A205-R209 PolarHBondContact O-N 2.81Å; A205-L217 HydrophobicContact CB-CD1 4.14Å; A205-Y219 WeakPolarHBondContact CB-OH 3.38Å; A205-R240 VanDerWaalsContact CB-CD 3.44Å; A205-N244 WeakPolarHBondContact CB-ND2 3.26Å; A205-N244 PolarHBondContact O-OD1 2.79Å
206	S	96	Very high	96.7	Very high	12 Å²	12	28 Å²	28	8%	0.084	14%	0.135	C	C	.	.	H	α-helix	trans	-60.9	-41.5	172.3	-70	0	0	0	0	111.2	P202 E203 R209 Y210 N244 R321	P202-S206 WeakPolarHBondContact O-CB 3.4Å; P202-S206 PolarHBondContact O-N 2.88Å; P202-S206 PolarHBondContact O-OG 2.81Å; P202-S206 VanDerWaalsContact O-OG 3.07Å; E203-S206 PolarHBondContact O-N 3Å; S206-R209 PolarHBondContact O-N 3.15Å; S206-Y210 WeakPolarHBondContact O-CB 3.42Å; S206-Y210 WeakPolarHBondContact O-CD2 3.42Å; S206-Y210 PolarHBondContact O-N 3.22Å; S206-N244 WeakPolarHBondContact CA-OD1 3.07Å; S206-N244 PolarHBondContact N-OD1 3.33Å; S206-R321 PolarHBondContact OG-NH2 3.06Å; S206-R321 VanDerWaalsContact OG-NH2 3.09Å
207	H	95.8	Very high	96.7	Very high	19 Å²	19	27.5 Å²	27.5	9%	0.088	13%	0.131	C	C	.	.	I	π-helix	trans	-60.1	-52	174.7	-178.7	80.7	0	0	0	111.4	E203 L204 A205 R209 A211 K212 S329 Y333	E203-H207 WeakPolarHBondContact O-CB 2.93Å; E203-H207 PolarHBondContact O-N 3.19Å; L204-H207 WeakPolarHBondContact O-CB 3.43Å; L204-H207 PolarHBondContact O-N 2.93Å; A205-H207 VanDerWaalsContact C-N 3.32Å; A205-H207 PolarHBondContact O-N 3.33Å; H207-R209 VanDerWaalsContact C-N 3.32Å; H207-R209 PolarHBondContact O-N 3.49Å; H207-A211 WeakPolarHBondContact O-CA 3.23Å; H207-A211 WeakPolarHBondContact O-CB 3.25Å; H207-A211 PolarHBondContact O-N 3.36Å; H207-K212 VanDerWaalsContact NE2-CE 3.3Å; H207-K212 WeakPolarHBondContact NE2-CE 3.28Å; H207-K212 PolarHBondContact O-N 3.1Å; H207-S329 PolarHBondContact ND1-O 3.44Å; H207-Y333 AromaticContact CE1-CZ 3.67Å; H207-Y333 PolarHBondContact CE1-OH 2.96Å; H207-Y333 VanDerWaalsContact CE1-OH 3.25Å
208	L	97.7	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	I	π-helix	trans	-56.6	-44	178.1	-74.2	174.1	0	0	0	112.3	P180 I181 V182 A194 L204 A205 K212 N213 A214 L217	P180-L208 HydrophobicContact CB-CD1 4.45Å; P180-L208 HydrophobicContact CB-CD2 3.82Å; P180-L208 HydrophobicContact CB-CG 4.21Å; P180-L208 HydrophobicContact CG-CD1 4.44Å; P180-L208 HydrophobicContact CG-CD2 3.86Å; P180-L208 HydrophobicContact CG-CG 3.89Å; I181-L208 WeakPolarHBondContact O-CD2 3.14Å; V182-L208 HydrophobicContact CG2-CD2 3.65Å; A194-L208 HydrophobicContact CB-CD1 4.47Å; L204-L208 HydrophobicContact CD2-CD1 3.74Å; L204-L208 HydrophobicContact CD2-CG 4.36Å; L204-L208 PolarHBondContact O-N 2.93Å; A205-L208 PolarHBondContact O-N 2.83Å; L208-K212 CarbonylContact O-C 3.57Å; L208-K212 WeakPolarHBondContact O-CB 3.49Å; L208-N213 PolarHBondContact O-N 2.95Å; L208-A214 HydrophobicContact CB-CB 4.29Å; L208-A214 WeakPolarHBondContact O-CB 3.35Å; L208-A214 PolarHBondContact O-N 2.95Å; L208-L217 HydrophobicContact CB-CD2 3.59Å; L208-L217 HydrophobicContact CD1-CD2 3.89Å; L208-L217 HydrophobicContact CG-CD2 4.38Å
209	R	96.4	Very high	96.7	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.015	12%	0.123	C	C	.	.	I	π-helix	trans	-72.6	-58.5	179.5	167.1	57.1	-166	-89.2	-8.2	112.7	A205 S206 H207 N213 N244 Q245 R312 E318	A205-R209 PolarHBondContact O-N 2.81Å; S206-R209 PolarHBondContact O-N 3.15Å; H207-R209 VanDerWaalsContact C-N 3.32Å; H207-R209 PolarHBondContact O-N 3.49Å; R209-N213 WeakPolarHBondContact O-CA 3.17Å; R209-N213 PolarHBondContact O-N 3.33Å; R209-N213 VanDerWaalsContact O-N 3.1Å; R209-N244 HydrophobicContact CB-CB 3.88Å; R209-N244 WeakPolarHBondContact CD-O 3.3Å; R209-N244 HydrophobicContact CG-CB 4.11Å; R209-N244 WeakPolarHBondContact CG-O 3.4Å; R209-N244 PolarHBondContact NH1-O 3.06Å; R209-Q245 PolarHBondContact NH1-O 3.22Å; R209-R312 VanDerWaalsContact CZ-NH2 3.32Å; R209-E318 IonicContact CZ-OE2 3.72Å; R209-E318 IonicContact NH2-OE2 2.82Å; R209-E318 PolarHBondContact NH2-OE2 3.46Å
210	Y	93.6	Very high	96.8	Very high	30 Å²	30	25.2 Å²	25.2	12%	0.118	12%	0.123	C	C	.	.	I	π-helix	trans	-87	-37.4	-166.2	-58.4	-72.7	0	0	0	111.9	S206 E243 E318	S206-Y210 WeakPolarHBondContact O-CB 3.42Å; S206-Y210 WeakPolarHBondContact O-CD2 3.42Å; S206-Y210 PolarHBondContact O-N 3.22Å; Y210-E243 PolarHBondContact OH-O 3.02Å; Y210-E318 HydrophobicContact CD1-CG 4.18Å; Y210-E318 HydrophobicContact CE1-CB 4.06Å; Y210-E318 HydrophobicContact CE1-CG 4.06Å
211	A	92	Very high	96.8	Very high	11 Å²	11	22.1 Å²	22.1	9%	0.091	11%	0.111	C	C	.	.	I	π-helix	trans	-82.6	-32.9	179.1	0	0	0	0	0	113.9	H207 D330	H207-A211 WeakPolarHBondContact O-CA 3.23Å; H207-A211 WeakPolarHBondContact O-CB 3.25Å; H207-A211 PolarHBondContact O-N 3.36Å; A211-D330 HydrophobicContact CB-CB 3.43Å; A211-D330 VanDerWaalsContact CB-CB 3.43Å
212	K	93.7	Very high	96.8	Very high	74 Å²	74	20.3 Å²	20.3	32%	0.322	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	5	-171.1	-56.4	-65.9	-171.7	168.4	0	113.8	V182 H207 L208 A214	V182-K212 HydrophobicContact CB-CB 3.82Å; V182-K212 HydrophobicContact CG2-CB 3.29Å; V182-K212 HydrophobicContact CG2-CG 4.27Å; H207-K212 VanDerWaalsContact NE2-CE 3.3Å; H207-K212 WeakPolarHBondContact NE2-CE 3.28Å; H207-K212 PolarHBondContact O-N 3.1Å; L208-K212 CarbonylContact O-C 3.57Å; L208-K212 WeakPolarHBondContact O-CB 3.49Å; K212-A214 PolarHBondContact O-N 3.33Å
213	N	93.4	Very high	96.7	Very high	83 Å²	83	18.1 Å²	18.1	44%	0.444	9%	0.09	S	C	.	.			trans	54.1	45.2	175.5	-168.5	27.5	0	0	0	114.1	N190 L208 R209	N190-N213 VanDerWaalsContact CB-O 3.23Å; N190-N213 WeakPolarHBondContact CB-O 3.2Å; N190-N213 PolarHBondContact ND2-O 3.43Å; L208-N213 PolarHBondContact O-N 2.95Å; R209-N213 WeakPolarHBondContact O-CA 3.17Å; R209-N213 PolarHBondContact O-N 3.33Å; R209-N213 VanDerWaalsContact O-N 3.1Å
214	A	97.3	Very high	96.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.			trans	-64	143.3	173.8	0	0	0	0	0	112.1	V182 L208 K212 L217 C246 R312	V182-A214 HydrophobicContact CG2-CB 3.95Å; L208-A214 HydrophobicContact CB-CB 4.29Å; L208-A214 WeakPolarHBondContact O-CB 3.35Å; L208-A214 PolarHBondContact O-N 2.95Å; K212-A214 PolarHBondContact O-N 3.33Å; A214-L217 HydrophobicContact CB-CD2 3.72Å; A214-C246 PolarHBondContact O-SG 3.33Å; A214-R312 PolarHBondContact O-NH2 3.42Å
215	H	97.4	Very high	96.5	Very high	12 Å²	12	13.6 Å²	13.6	6%	0.056	7%	0.07	C	C	.	.	S	Bend	trans	-103.4	-31.8	168.1	-61.2	94.7	0	0	0	111.3	N190 C246 Y247 F295 I308 Y309	N190-H215 WeakPolarHBondContact CB-ND1 3.26Å; N190-H215 PolarHBondContact N-ND1 3.37Å; N190-H215 PolarHBondContact O-N 3.37Å; H215-C246 WeakPolarHBondContact O-CA 3.37Å; H215-C246 WeakPolarHBondContact O-CB 3.25Å; H215-Y247 PolarHBondContact O-N 2.99Å; H215-F295 HydrophobicContact CB-CD1 3.62Å; H215-F295 HydrophobicContact CB-CE1 3.98Å; H215-F295 HydrophobicContact CB-CG 4.46Å; H215-I308 HydrophobicContact CB-CD1 4.07Å; H215-Y309 PolarHBondContact NE2-OH 3.42Å
216	V	98.5	Very high	96.1	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.8	178.9	-174.5	0	0	0	0	108.7	V188 N190 L191 G192 Y247 V249 I292 F295	V188-V216 HydrophobicContact CB-CG2 3.98Å; V188-V216 HydrophobicContact CG2-CB 4.42Å; V188-V216 HydrophobicContact CG2-CG2 3.99Å; V188-V216 WeakPolarHBondContact O-CG2 3.21Å; N190-V216 PolarHBondContact O-N 3.43Å; N190-V216 VanDerWaalsContact O-N 3.11Å; L191-V216 HydrophobicContact CD1-CB 3.85Å; L191-V216 HydrophobicContact CD1-CG1 3.74Å; G192-V216 PolarHBondContact N-O 3.49Å; V216-Y247 CarbonylContact C-O 3.43Å; V216-Y247 VanDerWaalsContact CA-O 3.3Å; V216-Y247 WeakPolarHBondContact CA-O 3.36Å; V216-V249 HydrophobicContact CG1-CB 4.49Å; V216-V249 HydrophobicContact CG1-CG2 3.82Å; V216-I292 HydrophobicContact CG2-CD1 4.04Å; V216-F295 HydrophobicContact CG2-CE1 3.95Å; V216-F295 HydrophobicContact CG2-CZ 3.91Å
217	L	98.9	Very high	96	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.5	169.4	-53	177.4	0	0	0	108.5	A205 L208 A214 Y219 N244 C246 Y247 V248 V249	A205-L217 HydrophobicContact CB-CD1 4.14Å; L208-L217 HydrophobicContact CB-CD2 3.59Å; L208-L217 HydrophobicContact CD1-CD2 3.89Å; L208-L217 HydrophobicContact CG-CD2 4.38Å; A214-L217 HydrophobicContact CB-CD2 3.72Å; L217-Y219 HydrophobicContact CB-CE2 3.81Å; L217-Y219 HydrophobicContact CD1-CE2 4.39Å; L217-N244 HydrophobicContact CD1-CB 4.14Å; L217-C246 HydrophobicContact CD1-CB 4.22Å; L217-C246 HydrophobicContact CG-CB 3.93Å; L217-Y247 PolarHBondContact N-O 3.48Å; L217-V248 HydrophobicContact CB-CG2 4.31Å; L217-V248 VanDerWaalsContact O-CA 3.31Å; L217-V248 WeakPolarHBondContact O-CA 3.44Å; L217-V249 PolarHBondContact O-N 3.38Å
218	S	98.9	Very high	96	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.007	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.5	177.8	-169.2	0	0	0	0	111.2	G192 A194 P220 V249	G192-S218 PolarHBondContact O-N 3.32Å; A194-S218 CarbonylContact C-O 3.49Å; A194-S218 PolarHBondContact N-O 2.73Å; S218-P220 WeakPolarHBondContact O-CD 3.08Å; S218-P220 WeakPolarHBondContact OG-CD 3.25Å; S218-V249 WeakPolarHBondContact CA-O 3.39Å; S218-V249 PolarHBondContact OG-O 3.44Å
219	Y	98.9	Very high	95.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.			trans	-125.3	64.4	176.3	-64.5	-76.8	0	0	0	111	A194 D198 M199 A205 L217 S221 I237 R240 V248 V249	A194-Y219 HydrophobicContact CB-CD1 3.63Å; A194-Y219 HydrophobicContact CB-CE1 3.41Å; A194-Y219 VanDerWaalsContact CB-CE1 3.41Å; D198-Y219 HydrophobicContact CB-CE1 4.4Å; M199-Y219 VanDerWaalsContact CA-CE1 3.47Å; M199-Y219 HydrophobicContact CB-CD1 3.53Å; M199-Y219 HydrophobicContact CB-CE1 3.77Å; M199-Y219 HydrophobicContact CB-CG 3.98Å; A205-Y219 WeakPolarHBondContact CB-OH 3.38Å; L217-Y219 HydrophobicContact CB-CE2 3.81Å; L217-Y219 HydrophobicContact CD1-CE2 4.39Å; Y219-S221 PolarHBondContact O-N 2.87Å; Y219-S221 PolarHBondContact O-OG 2.76Å; Y219-I237 HydrophobicContact CD2-CD1 3.9Å; Y219-I237 HydrophobicContact CG-CD1 4.16Å; Y219-R240 HydrophobicContact CE2-CB 4.04Å; Y219-R240 HydrophobicContact CE2-CG 4.13Å; Y219-V248 HydrophobicContact CD2-CG1 3.61Å; Y219-V248 HydrophobicContact CE2-CG1 4.06Å; Y219-V249 PolarHBondContact N-O 3.28Å
220	P	98.9	Very high	95.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.			trans	-56.5	134.8	169	28.9	-38.9	0	0	0	110.4	L66 G109 A194 I195 C196 S218 A251	L66-P220 WeakPolarHBondContact O-CB 3.42Å; G109-P220 VanDerWaalsContact O-CB 3.25Å; G109-P220 WeakPolarHBondContact O-CB 3.31Å; G109-P220 WeakPolarHBondContact O-CG 3.49Å; A194-P220 VanDerWaalsContact O-CD 3.28Å; A194-P220 WeakPolarHBondContact O-CD 3.28Å; I195-P220 HydrophobicContact CG1-CG 4.49Å; C196-P220 PolarHBondContact N-O 2.76Å; S218-P220 WeakPolarHBondContact O-CD 3.08Å; S218-P220 WeakPolarHBondContact OG-CD 3.25Å; P220-A251 CarbonylContact C-O 3.52Å; P220-A251 VanDerWaalsContact CA-O 3.29Å; P220-A251 WeakPolarHBondContact CA-O 3.16Å
221	S	98.8	Very high	95.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-149.7	142.4	-166.5	-56.2	0	0	0	0	114.8	C196 Y219 W233 A251 A252 Q253	C196-S221 VanDerWaalsContact CA-OG 3.26Å; C196-S221 WeakPolarHBondContact CA-OG 3.44Å; Y219-S221 PolarHBondContact O-N 2.87Å; Y219-S221 PolarHBondContact O-OG 2.76Å; S221-W233 VanDerWaalsContact CB-CH2 3.49Å; S221-W233 VanDerWaalsContact OG-CH2 3.29Å; S221-W233 WeakPolarHBondContact OG-CH2 3.41Å; S221-W233 WeakPolarHBondContact OG-CZ3 3.43Å; S221-A251 PolarHBondContact N-O 3.04Å; S221-A252 CarbonylContact O-C 3.56Å; S221-A252 WeakPolarHBondContact O-CA 3.43Å; S221-Q253 PolarHBondContact O-N 2.92Å
222	A	97.5	Very high	96.2	Very high	11 Å²	11	25.5 Å²	25.5	9%	0.091	14%	0.139	C	C	.	.			trans	-102	62.7	159.7	0	0	0	0	0	109.6	E68 Q253 S263	E68-A222 HydrophobicContact CB-CB 4.45Å; E68-A222 HydrophobicContact CG-CB 4.47Å; E68-A222 PolarHBondContact OE2-N 3.48Å; A222-Q253 HydrophobicContact CB-CB 4.16Å; A222-Q253 HydrophobicContact CB-CG 3.89Å; A222-S263 PolarHBondContact O-OG 2.77Å
223	Y	96.4	Very high	96.4	Very high	7 Å²	7	22 Å²	22	3%	0.027	12%	0.124	C	C	.	.			trans	-70.7	139.3	-167.7	-151.3	-104.5	0	0	0	112.5	M199 R200 T227 H232 W233 S263 Y264	M199-Y223 HydrophobicContact SD-CD2 3.99Å; M199-Y223 HydrophobicContact SD-CE2 3.36Å; M199-Y223 WeakPolarHBondContact SD-CE2 3.44Å; R200-Y223 PolarHBondContact NH2-OH 2.77Å; Y223-T227 WeakPolarHBondContact CE1-OG1 3.44Å; Y223-H232 HydrophobicContact CE1-CB 4.37Å; Y223-H232 VanDerWaalsContact OH-CB 3.28Å; Y223-H232 WeakPolarHBondContact OH-CB 3.31Å; Y223-W233 HydrophobicContact CD1-CB 3.92Å; Y223-W233 HydrophobicContact CD1-CD2 4.29Å; Y223-W233 AromaticContact CD1-CE3 3.84Å; Y223-W233 HydrophobicContact CD1-CE3 3.84Å; Y223-W233 HydrophobicContact CD1-CG 4.37Å; Y223-W233 AromaticContact CD2-CE3 3.47Å; Y223-W233 HydrophobicContact CD2-CE3 3.47Å; Y223-W233 VanDerWaalsContact CD2-CE3 3.47Å; Y223-W233 AromaticContact CD2-CZ3 3.71Å; Y223-W233 HydrophobicContact CD2-CZ3 3.71Å; Y223-W233 HydrophobicContact CE1-CB 3.75Å; Y223-W233 HydrophobicContact CE1-CE3 4.16Å; Y223-W233 AromaticContact CE2-CE3 3.83Å; Y223-W233 HydrophobicContact CE2-CE3 3.83Å; Y223-W233 HydrophobicContact CE2-CZ3 4.29Å; Y223-W233 HydrophobicContact CG-CD2 4.22Å; Y223-W233 AromaticContact CG-CE3 3.45Å; Y223-W233 HydrophobicContact CG-CE3 3.45Å; Y223-W233 VanDerWaalsContact CG-CE3 3.45Å; Y223-W233 AromaticContact CG-CZ3 3.94Å; Y223-W233 HydrophobicContact CG-CZ3 3.94Å; Y223-S263 CarbonylContact O-C 3.5Å; Y223-S263 WeakPolarHBondContact O-CA 3.2Å; Y223-S263 WeakPolarHBondContact O-CB 3.38Å; Y223-S263 PolarHBondContact O-OG 3.47Å; Y223-Y264 PolarHBondContact O-N 2.91Å
224	T	94.2	Very high	96.7	Very high	12 Å²	12	19.8 Å²	19.8	7%	0.074	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-70.3	138.8	-176.3	64.6	0	0	0	0	111.6	F145 L149 F167 R226 T227 G228	F145-T224 HydrophobicContact CE1-CG2 3.79Å; F145-T224 HydrophobicContact CZ-CG2 4.17Å; L149-T224 HydrophobicContact CD1-CG2 4.3Å; F167-T224 HydrophobicContact CD2-CG2 4.49Å; F167-T224 HydrophobicContact CE1-CG2 4.45Å; F167-T224 HydrophobicContact CE2-CG2 3.99Å; F167-T224 HydrophobicContact CZ-CG2 3.97Å; T224-R226 VanDerWaalsContact C-N 3.34Å; T224-R226 PolarHBondContact O-N 3.14Å; T224-T227 PolarHBondContact O-N 3.44Å; T224-T227 PolarHBondContact OG1-OG1 3.02Å; T224-G228 PolarHBondContact O-N 3.14Å
225	T	93.7	Very high	96.7	Very high	10 Å²	10	24 Å²	24	6%	0.061	14%	0.137	C	C	.	.	H	α-helix	trans	-55	-47.7	178.1	55	0	0	0	0	111.8	T227 G228 E229	T225-T227 PolarHBondContact O-N 3.13Å; T225-G228 PolarHBondContact O-N 2.87Å; T225-E229 WeakPolarHBondContact O-CB 3.48Å; T225-E229 VanDerWaalsContact O-CG 3.28Å; T225-E229 WeakPolarHBondContact O-CG 3.34Å; T225-E229 PolarHBondContact O-N 2.99Å
226	R	91.4	Very high	96.8	Very high	70 Å²	70	24.9 Å²	24.9	26%	0.264	14%	0.141	S	C	.	.	H	α-helix	trans	-56	-46.7	-178.7	-178.2	178.6	175.3	87.3	-5.8	113.4	L149 T151 T224 A230	L149-R226 PolarHBondContact O-NE 3.23Å; T151-R226 PolarHBondContact O-NH2 2.91Å; T151-R226 PolarHBondContact OG1-NH2 3.29Å; T224-R226 VanDerWaalsContact C-N 3.34Å; T224-R226 PolarHBondContact O-N 3.14Å; R226-A230 WeakPolarHBondContact O-CB 3.48Å; R226-A230 PolarHBondContact O-N 2.96Å; R226-A230 VanDerWaalsContact O-N 3.14Å
227	T	93.5	Very high	96.8	Very high	9 Å²	9	24.9 Å²	24.9	6%	0.055	14%	0.141	C	C	.	.	H	α-helix	trans	-79.8	-27.2	-179.4	63.3	0	0	0	0	112.4	L149 Y223 T224 T225 H232	L149-T227 HydrophobicContact CD1-CG2 4.27Å; L149-T227 HydrophobicContact CD2-CG2 4.11Å; Y223-T227 WeakPolarHBondContact CE1-OG1 3.44Å; T224-T227 PolarHBondContact O-N 3.44Å; T224-T227 PolarHBondContact OG1-OG1 3.02Å; T225-T227 PolarHBondContact O-N 3.13Å; T227-H232 VanDerWaalsContact O-CB 3.25Å; T227-H232 WeakPolarHBondContact O-CB 3.26Å; T227-H232 PolarHBondContact O-N 3.33Å
228	G	95.9	Very high	96.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.5	-52.4	168.4	0	0	0	0	0	112.3	T224 T225 A230 G231 Y264	T224-G228 PolarHBondContact O-N 3.14Å; T225-G228 PolarHBondContact O-N 2.87Å; G228-A230 VanDerWaalsContact C-N 3.26Å; G228-A230 PolarHBondContact O-N 2.93Å; G228-G231 WeakPolarHBondContact O-CA 3.31Å; G228-G231 PolarHBondContact O-N 3.31Å; G228-Y264 VanDerWaalsContact CA-CD1 3.47Å; G228-Y264 PolarHBondContact O-OH 2.87Å
229	E	94	Very high	96.8	Very high	81 Å²	81	31.7 Å²	31.7	38%	0.379	17%	0.174	S	C	.	.	H	α-helix	trans	-60.3	-33.3	176.9	-72	168.5	-174	0	0	112.7	T225 G231 Y264	T225-E229 WeakPolarHBondContact O-CB 3.48Å; T225-E229 VanDerWaalsContact O-CG 3.28Å; T225-E229 WeakPolarHBondContact O-CG 3.34Å; T225-E229 PolarHBondContact O-N 2.99Å; E229-G231 PolarHBondContact O-N 3.43Å; E229-Y264 HydrophobicContact CG-CD2 4.32Å; E229-Y264 HydrophobicContact CG-CE2 3.97Å
230	A	94.6	Very high	96.8	Very high	64 Å²	64	32.1 Å²	32.1	53%	0.529	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-2.7	172	0	0	0	0	0	113.7	R226 G228	R226-A230 WeakPolarHBondContact O-CB 3.48Å; R226-A230 PolarHBondContact O-N 2.96Å; R226-A230 VanDerWaalsContact O-N 3.14Å; G228-A230 VanDerWaalsContact C-N 3.26Å; G228-A230 PolarHBondContact O-N 2.93Å
231	G	96.5	Very high	96.8	Very high	24 Å²	24	32.1 Å²	32.1	25%	0.247	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	5.9	178.1	0	0	0	0	0	114.9	G228 E229 W233 T235	G228-G231 WeakPolarHBondContact O-CA 3.31Å; G228-G231 PolarHBondContact O-N 3.31Å; E229-G231 PolarHBondContact O-N 3.43Å; G231-W233 VanDerWaalsContact C-N 3.3Å; G231-W233 PolarHBondContact O-N 2.58Å; G231-T235 WeakPolarHBondContact O-CB 3.38Å; G231-T235 PolarHBondContact O-N 2.84Å; G231-T235 VanDerWaalsContact O-N 3.1Å; G231-T235 PolarHBondContact O-OG1 2.84Å
232	H	98	Very high	96.8	Very high	78 Å²	78	35.6 Å²	35.6	36%	0.361	19%	0.194	S	C	.	.	H	α-helix	trans	-63.5	-38.5	-179.3	-65.4	-177.1	0	0	0	111.6	R200 Y223 T227 T235 L236	R200-H232 PolarHBondContact NH1-ND1 2.85Å; R200-H232 PolarHBondContact NH2-ND1 3.47Å; Y223-H232 HydrophobicContact CE1-CB 4.37Å; Y223-H232 VanDerWaalsContact OH-CB 3.28Å; Y223-H232 WeakPolarHBondContact OH-CB 3.31Å; T227-H232 VanDerWaalsContact O-CB 3.25Å; T227-H232 WeakPolarHBondContact O-CB 3.26Å; T227-H232 PolarHBondContact O-N 3.33Å; H232-T235 PolarHBondContact O-N 3.28Å; H232-L236 HydrophobicContact CB-CD1 4.27Å; H232-L236 VanDerWaalsContact O-CB 3.28Å; H232-L236 WeakPolarHBondContact O-CB 3.2Å; H232-L236 WeakPolarHBondContact O-CD1 3.31Å; H232-L236 WeakPolarHBondContact O-CG 3.28Å; H232-L236 PolarHBondContact O-N 2.8Å
233	W	98.4	Very high	96.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.4	-62	-178.1	179.2	-117.1	0	0	0	111.7	M199 S221 Y223 G231 T235 L236 I237 A250 A252 Y264 H266 L268	M199-W233 HydrophobicContact CE-CE3 3.67Å; M199-W233 HydrophobicContact CE-CH2 4.35Å; M199-W233 HydrophobicContact CE-CZ3 3.49Å; M199-W233 VanDerWaalsContact CE-CZ3 3.49Å; M199-W233 HydrophobicContact SD-CE3 3.92Å; M199-W233 HydrophobicContact SD-CZ3 3.83Å; S221-W233 VanDerWaalsContact CB-CH2 3.49Å; S221-W233 VanDerWaalsContact OG-CH2 3.29Å; S221-W233 WeakPolarHBondContact OG-CH2 3.41Å; S221-W233 WeakPolarHBondContact OG-CZ3 3.43Å; Y223-W233 HydrophobicContact CD1-CB 3.92Å; Y223-W233 HydrophobicContact CD1-CD2 4.29Å; Y223-W233 AromaticContact CD1-CE3 3.84Å; Y223-W233 HydrophobicContact CD1-CE3 3.84Å; Y223-W233 HydrophobicContact CD1-CG 4.37Å; Y223-W233 AromaticContact CD2-CE3 3.47Å; Y223-W233 HydrophobicContact CD2-CE3 3.47Å; Y223-W233 VanDerWaalsContact CD2-CE3 3.47Å; Y223-W233 AromaticContact CD2-CZ3 3.71Å; Y223-W233 HydrophobicContact CD2-CZ3 3.71Å; Y223-W233 HydrophobicContact CE1-CB 3.75Å; Y223-W233 HydrophobicContact CE1-CE3 4.16Å; Y223-W233 AromaticContact CE2-CE3 3.83Å; Y223-W233 HydrophobicContact CE2-CE3 3.83Å; Y223-W233 HydrophobicContact CE2-CZ3 4.29Å; Y223-W233 HydrophobicContact CG-CD2 4.22Å; Y223-W233 AromaticContact CG-CE3 3.45Å; Y223-W233 HydrophobicContact CG-CE3 3.45Å; Y223-W233 VanDerWaalsContact CG-CE3 3.45Å; Y223-W233 AromaticContact CG-CZ3 3.94Å; Y223-W233 HydrophobicContact CG-CZ3 3.94Å; G231-W233 VanDerWaalsContact C-N 3.3Å; G231-W233 PolarHBondContact O-N 2.58Å; W233-T235 VanDerWaalsContact C-N 3.34Å; W233-T235 PolarHBondContact O-N 2.8Å; W233-L236 PolarHBondContact O-N 3.22Å; W233-I237 HydrophobicContact CD2-CG1 4.42Å; W233-I237 HydrophobicContact CE3-CG1 4.44Å; W233-I237 HydrophobicContact CH2-CD1 4.48Å; W233-I237 HydrophobicContact CZ3-CG1 4.5Å; W233-I237 WeakPolarHBondContact O-CB 3.48Å; W233-I237 WeakPolarHBondContact O-CG1 3.14Å; W233-I237 PolarHBondContact O-N 3.1Å; W233-I237 VanDerWaalsContact O-N 3.08Å; W233-A250 HydrophobicContact CH2-CB 3.74Å; W233-A250 HydrophobicContact CZ2-CB 3.56Å; W233-A252 HydrophobicContact CZ2-CB 4.17Å; W233-Y264 HydrophobicContact CB-CD1 4.07Å; W233-Y264 HydrophobicContact CB-CE1 4.09Å; W233-Y264 AromaticContact CD1-CD1 3.94Å; W233-Y264 AromaticContact CD1-CE1 3.94Å; W233-Y264 HydrophobicContact CG-CD1 4.07Å; W233-Y264 HydrophobicContact CG-CE1 4.26Å; W233-H266 PolarHBondContact NE1-O 3.05Å; W233-L268 HydrophobicContact CZ2-CD2 3.87Å
234	H	98.6	Very high	96.9	Very high	37 Å²	37	37.8 Å²	37.8	17%	0.171	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-38.7	179.6	-59.7	80.5	0	0	0	112.5	R238 Y264 H266 E279	H234-R238 VanDerWaalsContact O-CB 3.31Å; H234-R238 WeakPolarHBondContact O-CB 3.49Å; H234-R238 WeakPolarHBondContact O-CG 3.49Å; H234-R238 PolarHBondContact O-N 2.82Å; H234-R238 VanDerWaalsContact O-N 3.09Å; H234-Y264 AromaticContact CE1-CE1 3.7Å; H234-H266 AromaticContact CE1-CG 3.98Å; H234-E279 IonicContact CD2-OE1 2.78Å; H234-E279 IonicContact CD2-OE2 3.89Å; H234-E279 IonicContact CE1-OE1 2.81Å; H234-E279 IonicContact NE2-OE1 3.03Å; H234-E279 PolarHBondContact NE2-OE1 3.49Å; H234-E279 IonicContact NE2-OE2 2.94Å
235	T	98.7	Very high	97	Very high	89 Å²	89	37.3 Å²	37.3	55%	0.546	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-49.9	-179.5	-60.2	0	0	0	0	111.3	G231 H232 W233 A239	G231-T235 WeakPolarHBondContact O-CB 3.38Å; G231-T235 PolarHBondContact O-N 2.84Å; G231-T235 VanDerWaalsContact O-N 3.1Å; G231-T235 PolarHBondContact O-OG1 2.84Å; H232-T235 PolarHBondContact O-N 3.28Å; W233-T235 VanDerWaalsContact C-N 3.34Å; W233-T235 PolarHBondContact O-N 2.8Å; T235-A239 VanDerWaalsContact O-CB 3.3Å; T235-A239 WeakPolarHBondContact O-CB 3.47Å; T235-A239 PolarHBondContact O-N 2.74Å
236	L	98.9	Very high	97.2	Very high	30 Å²	30	36.9 Å²	36.9	16%	0.157	20%	0.196	C	C	.	.	H	α-helix	trans	-69.7	-45.4	-177.2	-67.7	168.4	0	0	0	111.5	M199 R200 H232 W233 R238 A239 R240	M199-L236 HydrophobicContact CE-CB 4.36Å; M199-L236 HydrophobicContact CG-CB 4.3Å; M199-L236 HydrophobicContact CG-CD1 4.15Å; M199-L236 HydrophobicContact SD-CD1 4.45Å; R200-L236 HydrophobicContact CG-CD1 3.8Å; H232-L236 HydrophobicContact CB-CD1 4.27Å; H232-L236 VanDerWaalsContact O-CB 3.28Å; H232-L236 WeakPolarHBondContact O-CB 3.2Å; H232-L236 WeakPolarHBondContact O-CD1 3.31Å; H232-L236 WeakPolarHBondContact O-CG 3.28Å; H232-L236 PolarHBondContact O-N 2.8Å; W233-L236 PolarHBondContact O-N 3.22Å; L236-R238 VanDerWaalsContact C-N 3.3Å; L236-R238 PolarHBondContact O-N 3.3Å; L236-A239 PolarHBondContact O-N 2.9Å; L236-R240 WeakPolarHBondContact O-CG 3.35Å; L236-R240 PolarHBondContact O-N 2.94Å
237	I	98.8	Very high	97.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.9	-45.7	177.1	-71.6	-61.9	0	0	0	111.3	M199 Y219 W233 R240 A241 V248 A250 L268 V270	M199-I237 HydrophobicContact CE-CD1 3.04Å; M199-I237 HydrophobicContact CE-CG1 3.33Å; Y219-I237 HydrophobicContact CD2-CD1 3.9Å; Y219-I237 HydrophobicContact CG-CD1 4.16Å; W233-I237 HydrophobicContact CD2-CG1 4.42Å; W233-I237 HydrophobicContact CE3-CG1 4.44Å; W233-I237 HydrophobicContact CH2-CD1 4.48Å; W233-I237 HydrophobicContact CZ3-CG1 4.5Å; W233-I237 WeakPolarHBondContact O-CB 3.48Å; W233-I237 WeakPolarHBondContact O-CG1 3.14Å; W233-I237 PolarHBondContact O-N 3.1Å; W233-I237 VanDerWaalsContact O-N 3.08Å; I237-R240 PolarHBondContact O-N 2.62Å; I237-A241 PolarHBondContact O-N 3.3Å; I237-A241 VanDerWaalsContact O-N 3.11Å; I237-V248 HydrophobicContact CD1-CG1 3.85Å; I237-V248 HydrophobicContact CG2-CB 4.2Å; I237-V248 HydrophobicContact CG2-CG1 3.78Å; I237-A250 HydrophobicContact CD1-CB 3.58Å; I237-A250 HydrophobicContact CG1-CB 4.04Å; I237-L268 HydrophobicContact CG1-CD2 4.38Å; I237-L268 HydrophobicContact CG2-CD1 4.04Å; I237-L268 HydrophobicContact CG2-CD2 4.36Å; I237-L268 HydrophobicContact CG2-CG 4.17Å; I237-V270 HydrophobicContact CG2-CB 4.29Å; I237-V270 HydrophobicContact CG2-CG2 3.56Å
238	R	98.8	Very high	97.8	Very high	109 Å²	109	33.7 Å²	33.7	41%	0.411	18%	0.183	S	C	.	.	H	α-helix	trans	-67.8	-40.9	178.1	-68.5	176.1	69.3	-147.6	-4.5	112.2	H234 L236 R240 A241 I242 V270 G274 I276	H234-R238 VanDerWaalsContact O-CB 3.31Å; H234-R238 WeakPolarHBondContact O-CB 3.49Å; H234-R238 WeakPolarHBondContact O-CG 3.49Å; H234-R238 PolarHBondContact O-N 2.82Å; H234-R238 VanDerWaalsContact O-N 3.09Å; L236-R238 VanDerWaalsContact C-N 3.3Å; L236-R238 PolarHBondContact O-N 3.3Å; R238-R240 VanDerWaalsContact C-N 3.32Å; R238-R240 PolarHBondContact O-N 3.03Å; R238-A241 WeakPolarHBondContact O-CB 3.46Å; R238-A241 PolarHBondContact O-N 2.98Å; R238-I242 WeakPolarHBondContact O-CD1 3.23Å; R238-I242 VanDerWaalsContact O-CG1 3.22Å; R238-I242 WeakPolarHBondContact O-CG1 3.24Å; R238-I242 PolarHBondContact O-N 3.39Å; R238-V270 HydrophobicContact CG-CG1 4.08Å; R238-V270 HydrophobicContact CG-CG2 4.06Å; R238-G274 PolarHBondContact NE-O 2.73Å; R238-G274 PolarHBondContact NH2-O 3.48Å; R238-I276 HydrophobicContact CG-CG1 4.33Å
239	A	98.8	Very high	98	Very high	34 Å²	34	33.7 Å²	33.7	28%	0.281	18%	0.183	S	C	.	.	H	α-helix	trans	-57.7	-46	175.2	0	0	0	0	0	111.4	T235 L236 A241 I242 E243	T235-A239 VanDerWaalsContact O-CB 3.3Å; T235-A239 WeakPolarHBondContact O-CB 3.47Å; T235-A239 PolarHBondContact O-N 2.74Å; L236-A239 PolarHBondContact O-N 2.9Å; A239-A241 VanDerWaalsContact C-N 3.3Å; A239-A241 PolarHBondContact O-N 2.9Å; A239-I242 PolarHBondContact O-N 2.89Å; A239-E243 WeakPolarHBondContact O-CB 3.27Å; A239-E243 VanDerWaalsContact O-CG 3.3Å; A239-E243 WeakPolarHBondContact O-CG 3.24Å; A239-E243 PolarHBondContact O-N 2.64Å
240	R	98.8	Very high	98.2	Very high	10 Å²	10	29.8 Å²	29.8	4%	0.038	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-37.1	177.2	-63.3	-70.3	166	-92	-9	112.3	M199 R200 A205 Y219 L236 I237 R238 E243 N244 V248	M199-R240 PolarHBondContact O-NE 2.97Å; M199-R240 PolarHBondContact O-NH2 3.3Å; R200-R240 VanDerWaalsContact C-NH2 3.27Å; R200-R240 PolarHBondContact O-NH2 2.74Å; A205-R240 VanDerWaalsContact CB-CD 3.44Å; Y219-R240 HydrophobicContact CE2-CB 4.04Å; Y219-R240 HydrophobicContact CE2-CG 4.13Å; L236-R240 WeakPolarHBondContact O-CG 3.35Å; L236-R240 PolarHBondContact O-N 2.94Å; I237-R240 PolarHBondContact O-N 2.62Å; R238-R240 VanDerWaalsContact C-N 3.32Å; R238-R240 PolarHBondContact O-N 3.03Å; R240-E243 WeakPolarHBondContact CD-OE1 3.5Å; R240-E243 IonicContact CZ-OE1 3.29Å; R240-E243 IonicContact NE-OE1 2.77Å; R240-E243 VanDerWaalsContact NH1-CD 3.32Å; R240-E243 IonicContact NH1-OE1 3.64Å; R240-E243 PolarHBondContact NH1-OE1 2.91Å; R240-E243 IonicContact NH1-OE2 3.81Å; R240-E243 PolarHBondContact NH1-OE2 2.81Å; R240-N244 VanDerWaalsContact O-CB 3.3Å; R240-N244 WeakPolarHBondContact O-CB 3.48Å; R240-N244 PolarHBondContact O-N 2.78Å; R240-N244 PolarHBondContact O-ND2 2.9Å; R240-V248 HydrophobicContact CB-CG2 4.32Å
241	A	98.7	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.3	-46.4	175	0	0	0	0	0	112.1	I237 R238 A239 Q245 C246 V248 V270 D271	I237-A241 PolarHBondContact O-N 3.3Å; I237-A241 VanDerWaalsContact O-N 3.11Å; R238-A241 WeakPolarHBondContact O-CB 3.46Å; R238-A241 PolarHBondContact O-N 2.98Å; A239-A241 VanDerWaalsContact C-N 3.3Å; A239-A241 PolarHBondContact O-N 2.9Å; A241-Q245 WeakPolarHBondContact O-CA 3.36Å; A241-Q245 PolarHBondContact O-N 3.5Å; A241-C246 PolarHBondContact O-N 2.93Å; A241-V248 HydrophobicContact CB-CB 4.28Å; A241-V248 HydrophobicContact CB-CG2 3.56Å; A241-V270 HydrophobicContact CB-CB 4.07Å; A241-V270 HydrophobicContact CB-CG1 3.57Å; A241-D271 WeakPolarHBondContact CB-O 3.37Å
242	I	98.5	Very high	98.5	Very high	73 Å²	73	25.7 Å²	25.7	37%	0.374	13%	0.129	S	C	.	.	H	α-helix	trans	-68.3	-55.1	-175.9	-66.6	163.1	0	0	0	111.2	R238 A239 N244 Q245	R238-I242 WeakPolarHBondContact O-CD1 3.23Å; R238-I242 VanDerWaalsContact O-CG1 3.22Å; R238-I242 WeakPolarHBondContact O-CG1 3.24Å; R238-I242 PolarHBondContact O-N 3.39Å; A239-I242 PolarHBondContact O-N 2.89Å; I242-N244 VanDerWaalsContact C-N 3.26Å; I242-N244 PolarHBondContact O-N 2.78Å; I242-Q245 WeakPolarHBondContact O-CG 3.42Å; I242-Q245 PolarHBondContact O-N 2.57Å
243	E	97.4	Very high	98.6	Very high	64 Å²	64	22 Å²	22	30%	0.299	11%	0.112	S	C	.	.	H	α-helix	trans	-69.1	-27.3	-172.1	80	-167.7	178.3	0	0	112.5	Y210 A239 R240	Y210-E243 PolarHBondContact OH-O 3.02Å; A239-E243 WeakPolarHBondContact O-CB 3.27Å; A239-E243 VanDerWaalsContact O-CG 3.3Å; A239-E243 WeakPolarHBondContact O-CG 3.24Å; A239-E243 PolarHBondContact O-N 2.64Å; R240-E243 WeakPolarHBondContact CD-OE1 3.5Å; R240-E243 IonicContact CZ-OE1 3.29Å; R240-E243 IonicContact NE-OE1 2.77Å; R240-E243 VanDerWaalsContact NH1-CD 3.32Å; R240-E243 IonicContact NH1-OE1 3.64Å; R240-E243 PolarHBondContact NH1-OE1 2.91Å; R240-E243 IonicContact NH1-OE2 3.81Å; R240-E243 PolarHBondContact NH1-OE2 2.81Å
244	N	97.9	Very high	98.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	2.6	180	-57.1	-69.3	0	0	0	112.4	A205 S206 R209 L217 R240 I242 C246	A205-N244 WeakPolarHBondContact CB-ND2 3.26Å; A205-N244 PolarHBondContact O-OD1 2.79Å; S206-N244 WeakPolarHBondContact CA-OD1 3.07Å; S206-N244 PolarHBondContact N-OD1 3.33Å; R209-N244 HydrophobicContact CB-CB 3.88Å; R209-N244 WeakPolarHBondContact CD-O 3.3Å; R209-N244 HydrophobicContact CG-CB 4.11Å; R209-N244 WeakPolarHBondContact CG-O 3.4Å; R209-N244 PolarHBondContact NH1-O 3.06Å; L217-N244 HydrophobicContact CD1-CB 4.14Å; R240-N244 VanDerWaalsContact O-CB 3.3Å; R240-N244 WeakPolarHBondContact O-CB 3.48Å; R240-N244 PolarHBondContact O-N 2.78Å; R240-N244 PolarHBondContact O-ND2 2.9Å; I242-N244 VanDerWaalsContact C-N 3.26Å; I242-N244 PolarHBondContact O-N 2.78Å; N244-C246 PolarHBondContact O-N 2.8Å; N244-C246 VanDerWaalsContact O-N 3.08Å; N244-C246 PolarHBondContact O-SG 3.03Å
245	Q	97.6	Very high	98.4	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	37.1	53.9	-178.8	-38.5	174.1	-70.7	0	0	112.6	R209 A241 I242 P272 I308 V311 R312 M315 V317	R209-Q245 PolarHBondContact NH1-O 3.22Å; A241-Q245 WeakPolarHBondContact O-CA 3.36Å; A241-Q245 PolarHBondContact O-N 3.5Å; I242-Q245 WeakPolarHBondContact O-CG 3.42Å; I242-Q245 PolarHBondContact O-N 2.57Å; Q245-P272 HydrophobicContact CB-CB 4.48Å; Q245-I308 VanDerWaalsContact O-CG1 3.31Å; Q245-I308 WeakPolarHBondContact O-CG1 3.47Å; Q245-V311 HydrophobicContact CB-CG1 4.08Å; Q245-V311 HydrophobicContact CG-CG1 4.22Å; Q245-V311 PolarHBondContact NE2-O 2.85Å; Q245-R312 HydrophobicContact CB-CG 4.05Å; Q245-M315 PolarHBondContact NE2-O 3.09Å; Q245-V317 HydrophobicContact CG-CG2 4.02Å
246	C	98.4	Very high	98.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.			trans	-123.5	154.5	179.9	-75.8	0	0	0	0	108.8	A214 H215 L217 A241 N244 P272	A214-C246 PolarHBondContact O-SG 3.33Å; H215-C246 WeakPolarHBondContact O-CA 3.37Å; H215-C246 WeakPolarHBondContact O-CB 3.25Å; L217-C246 HydrophobicContact CD1-CB 4.22Å; L217-C246 HydrophobicContact CG-CB 3.93Å; A241-C246 PolarHBondContact O-N 2.93Å; N244-C246 PolarHBondContact O-N 2.8Å; N244-C246 VanDerWaalsContact O-N 3.08Å; N244-C246 PolarHBondContact O-SG 3.03Å; C246-P272 WeakPolarHBondContact O-CA 3.22Å
247	Y	98.7	Very high	98.1	Very high	12 Å²	12	22.1 Å²	22.1	5%	0.047	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	145.4	159.9	-71.5	-93.9	0	0	0	108.5	H215 V216 L217 V270 D271 P272 I277 I292 G293 F295 I308	H215-Y247 PolarHBondContact O-N 2.99Å; V216-Y247 CarbonylContact C-O 3.43Å; V216-Y247 VanDerWaalsContact CA-O 3.3Å; V216-Y247 WeakPolarHBondContact CA-O 3.36Å; L217-Y247 PolarHBondContact N-O 3.48Å; Y247-V270 CarbonylContact C-O 3.56Å; Y247-V270 VanDerWaalsContact CA-O 3.3Å; Y247-V270 WeakPolarHBondContact CA-O 3.42Å; Y247-D271 HydrophobicContact CD1-CB 4.25Å; Y247-D271 HydrophobicContact CE1-CB 3.92Å; Y247-P272 HydrophobicContact CD2-CG 3.74Å; Y247-P272 HydrophobicContact CE2-CG 3.75Å; Y247-P272 HydrophobicContact CG-CG 4.23Å; Y247-I277 HydrophobicContact CD1-CD1 4.24Å; Y247-I277 HydrophobicContact CE1-CD1 4.06Å; Y247-I292 HydrophobicContact CD1-CB 3.8Å; Y247-I292 HydrophobicContact CD1-CG2 3.54Å; Y247-I292 HydrophobicContact CE1-CB 3.8Å; Y247-I292 HydrophobicContact CE1-CG2 3.73Å; Y247-I292 HydrophobicContact CG-CB 4.19Å; Y247-I292 HydrophobicContact CG-CG2 4.28Å; Y247-G293 PolarHBondContact OH-N 3.13Å; Y247-F295 AromaticContact CD2-CE1 3.73Å; Y247-F295 HydrophobicContact CD2-CE1 3.73Å; Y247-F295 HydrophobicContact CD2-CZ 4.18Å; Y247-F295 AromaticContact CE2-CE1 3.94Å; Y247-F295 HydrophobicContact CE2-CE1 3.94Å; Y247-F295 HydrophobicContact CE2-CZ 4.35Å; Y247-I308 HydrophobicContact CE2-CB 4.44Å
248	V	98.9	Very high	97.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.9	172.8	-178.4	0	0	0	0	109.1	L217 Y219 I237 R240 A241 V269 V270	L217-V248 HydrophobicContact CB-CG2 4.31Å; L217-V248 VanDerWaalsContact O-CA 3.31Å; L217-V248 WeakPolarHBondContact O-CA 3.44Å; Y219-V248 HydrophobicContact CD2-CG1 3.61Å; Y219-V248 HydrophobicContact CE2-CG1 4.06Å; I237-V248 HydrophobicContact CD1-CG1 3.85Å; I237-V248 HydrophobicContact CG2-CB 4.2Å; I237-V248 HydrophobicContact CG2-CG1 3.78Å; R240-V248 HydrophobicContact CB-CG2 4.32Å; A241-V248 HydrophobicContact CB-CB 4.28Å; A241-V248 HydrophobicContact CB-CG2 3.56Å; V248-V269 VanDerWaalsContact O-CA 3.3Å; V248-V269 WeakPolarHBondContact O-CA 3.27Å; V248-V270 HydrophobicContact CB-CB 4.49Å; V248-V270 PolarHBondContact N-O 2.9Å; V248-V270 PolarHBondContact O-N 3.45Å
249	V	98.9	Very high	97.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.2	176.5	180	0	0	0	0	109.1	V33 F65 V216 L217 S218 Y219 V269	V33-V249 HydrophobicContact CG1-CG1 4.32Å; V33-V249 HydrophobicContact CG2-CG1 3.58Å; F65-V249 HydrophobicContact CB-CG1 4.03Å; F65-V249 HydrophobicContact CD1-CB 4.46Å; F65-V249 HydrophobicContact CD1-CG1 3.92Å; F65-V249 HydrophobicContact CD2-CG1 3.67Å; F65-V249 HydrophobicContact CE1-CB 4.43Å; F65-V249 HydrophobicContact CE1-CG1 4.3Å; F65-V249 HydrophobicContact CE2-CG1 4.05Å; F65-V249 HydrophobicContact CE2-CG2 4.34Å; F65-V249 HydrophobicContact CG-CG1 3.6Å; F65-V249 HydrophobicContact CZ-CB 4.48Å; F65-V249 HydrophobicContact CZ-CG1 4.35Å; F65-V249 HydrophobicContact CZ-CG2 4.36Å; V216-V249 HydrophobicContact CG1-CB 4.49Å; V216-V249 HydrophobicContact CG1-CG2 3.82Å; L217-V249 PolarHBondContact O-N 3.38Å; S218-V249 WeakPolarHBondContact CA-O 3.39Å; S218-V249 PolarHBondContact OG-O 3.44Å; Y219-V249 PolarHBondContact N-O 3.28Å; V249-V269 HydrophobicContact CG1-CG2 4.38Å; V249-V269 HydrophobicContact CG2-CG1 4.17Å; V249-V269 HydrophobicContact CG2-CG2 4.34Å
250	A	98.8	Very high	96.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	87.3	-173.9	0	0	0	0	0	110	W233 I237 S267 L268	W233-A250 HydrophobicContact CH2-CB 3.74Å; W233-A250 HydrophobicContact CZ2-CB 3.56Å; I237-A250 HydrophobicContact CD1-CB 3.58Å; I237-A250 HydrophobicContact CG1-CB 4.04Å; A250-S267 CarbonylContact O-C 3.59Å; A250-S267 VanDerWaalsContact O-CA 3.27Å; A250-S267 WeakPolarHBondContact O-CA 3.43Å; A250-L268 HydrophobicContact CB-CD2 3.97Å; A250-L268 PolarHBondContact N-O 3.08Å; A250-L268 PolarHBondContact O-N 3.11Å
251	A	98.9	Very high	96.3	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.008	14%	0.141	C	C	.	.			trans	-72.8	130.7	171.9	0	0	0	0	0	109.7	V33 F65 P67 P220 S221	V33-A251 HydrophobicContact CG1-CB 3.71Å; F65-A251 HydrophobicContact CB-CB 4.2Å; P67-A251 HydrophobicContact CB-CB 4.18Å; P67-A251 WeakPolarHBondContact CB-O 3.05Å; P220-A251 CarbonylContact C-O 3.52Å; P220-A251 VanDerWaalsContact CA-O 3.29Å; P220-A251 WeakPolarHBondContact CA-O 3.16Å; S221-A251 PolarHBondContact N-O 3.04Å
252	A	98.8	Very high	96.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-120.6	143.5	-173.3	0	0	0	0	0	113.1	Q35 M36 P67 S221 W233 G265 S267	Q35-A252 WeakPolarHBondContact CA-O 3.36Å; M36-A252 PolarHBondContact N-O 2.9Å; P67-A252 VanDerWaalsContact CB-C 3.41Å; S221-A252 CarbonylContact O-C 3.56Å; S221-A252 WeakPolarHBondContact O-CA 3.43Å; W233-A252 HydrophobicContact CZ2-CB 4.17Å; A252-G265 WeakPolarHBondContact CB-O 3.38Å; A252-S267 WeakPolarHBondContact CB-OG 3.35Å; A252-S267 PolarHBondContact N-OG 3.43Å
253	Q	98.6	Very high	96	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-73	151.4	155.6	-67.3	-70	-22.5	0	0	110	M36 S38 P67 E68 C69 S221 A222 H257 S263 G265	M36-Q253 CarbonylContact O-C 3.56Å; M36-Q253 VanDerWaalsContact O-CA 3.26Å; M36-Q253 WeakPolarHBondContact O-CA 3.48Å; M36-Q253 PolarHBondContact O-OE1 3.34Å; M36-Q253 VanDerWaalsContact O-OE1 3.1Å; S38-Q253 PolarHBondContact OG-NE2 3.14Å; S38-Q253 PolarHBondContact OG-OE1 2.92Å; P67-Q253 HydrophobicContact CB-CG 4.14Å; P67-Q253 HydrophobicContact CG-CG 4.18Å; E68-Q253 WeakPolarHBondContact O-CG 3.35Å; E68-Q253 PolarHBondContact O-NE2 2.91Å; C69-Q253 PolarHBondContact O-NE2 2.86Å; S221-Q253 PolarHBondContact O-N 2.92Å; A222-Q253 HydrophobicContact CB-CB 4.16Å; A222-Q253 HydrophobicContact CB-CG 3.89Å; Q253-H257 PolarHBondContact OE1-CE1 2.84Å; Q253-S263 WeakPolarHBondContact O-CB 3.45Å; Q253-G265 VanDerWaalsContact O-CA 3.25Å; Q253-G265 WeakPolarHBondContact O-CA 3.35Å; Q253-G265 PolarHBondContact O-N 3.12Å
254	E	97.6	Very high	96	Very high	28 Å²	28	24.4 Å²	24.4	13%	0.131	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.6	178.3	-171.8	-168.6	-174.3	0	0	111.8	Q35 M36 Q37 S263 P283 G284	Q35-E254 HydrophobicContact CG-CB 3.86Å; Q35-E254 PolarHBondContact NE2-OE2 3.5Å; M36-E254 PolarHBondContact O-N 3.45Å; Q37-E254 WeakPolarHBondContact CB-O 3.43Å; Q37-E254 VanDerWaalsContact CG-O 3.23Å; Q37-E254 WeakPolarHBondContact CG-O 3.44Å; E254-S263 CarbonylContact C-O 3.6Å; E254-S263 WeakPolarHBondContact CA-O 3.4Å; E254-P283 WeakPolarHBondContact OE1-CA 3.42Å; E254-G284 PolarHBondContact OE1-N 2.87Å; E254-G284 VanDerWaalsContact OE1-N 3.07Å; E254-G284 WeakPolarHBondContact OE2-CA 3.42Å; E254-G284 PolarHBondContact OE2-N 2.79Å
255	G	95.6	Very high	96	Very high	25 Å²	25	24.4 Å²	24.4	26%	0.258	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.1	-165.6	162.3	0	0	0	0	0	111.8	S262 S263	G255-S262 CarbonylContact O-C 3.57Å; G255-S262 WeakPolarHBondContact O-CA 3.33Å; G255-S262 WeakPolarHBondContact O-CB 3.41Å; G255-S263 PolarHBondContact N-O 3.34Å; G255-S263 PolarHBondContact O-N 3.03Å
256	K	95.6	Very high	96	Very high	97 Å²	97	26.6 Å²	26.6	42%	0.422	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.3	-177	-167.2	179.3	-172	-170.2	0	110.2	Q37 N258 E259	Q37-K256 PolarHBondContact NE2-O 2.84Å; K256-N258 WeakPolarHBondContact CE-O 3.43Å; K256-N258 WeakPolarHBondContact CG-O 3.29Å; K256-E259 IonicContact NZ-OE1 3.37Å; K256-E259 PolarHBondContact NZ-OE1 3.21Å; K256-E259 IonicContact NZ-OE2 3.99Å; K256-E259 PolarHBondContact NZ-OE2 3.09Å
257	H	95.8	Very high	96	Very high	9 Å²	9	26.6 Å²	26.6	4%	0.042	14%	0.136	C	C	.	.	S	Bend	trans	-83.8	-37	175.5	-56.8	-65.6	0	0	0	111.6	S38 T39 V73 Q253 R261 S263	S38-H257 WeakPolarHBondContact O-CB 3.49Å; S38-H257 PolarHBondContact O-ND1 3.46Å; T39-H257 WeakPolarHBondContact CG2-O 3.4Å; V73-H257 HydrophobicContact CB-CB 4.01Å; V73-H257 HydrophobicContact CG1-CB 3.66Å; V73-H257 HydrophobicContact CG2-CB 4.25Å; Q253-H257 PolarHBondContact OE1-CE1 2.84Å; H257-R261 HydrophobicContact CB-CB 4.49Å; H257-R261 WeakPolarHBondContact CB-O 3.06Å; H257-R261 PolarHBondContact N-O 3.07Å; H257-S263 VanDerWaalsContact NE2-CB 3.28Å; H257-S263 WeakPolarHBondContact NE2-CB 3.28Å; H257-S263 PolarHBondContact NE2-OG 3.23Å; H257-S263 VanDerWaalsContact NE2-OG 3.15Å
258	N	92.8	Very high	96	Very high	35 Å²	35	26 Å²	26	19%	0.187	13%	0.133	C	C	.	.	S	Bend	trans	-161.6	-172.8	174.5	58.5	51	0	0	0	109.8	R75 K256 G260 R261	R75-N258 HydrophobicContact CG-CB 4.31Å; K256-N258 WeakPolarHBondContact CE-O 3.43Å; K256-N258 WeakPolarHBondContact CG-O 3.29Å; N258-G260 PolarHBondContact O-N 3.42Å; N258-G260 PolarHBondContact OD1-N 3.48Å; N258-R261 PolarHBondContact N-O 3.33Å; N258-R261 WeakPolarHBondContact OD1-CB 3.34Å; N258-R261 PolarHBondContact OD1-N 3.13Å
259	E	86.8	Confident	96	Very high	153 Å²	153	26 Å²	26	72%	0.715	13%	0.133	S	C	*	.	S	Bend	trans	-58.7	-28.8	-178.8	-69	-53.6	129.9	0	0	114.9	T163 K256	T163-E259 PolarHBondContact OG1-O 3.25Å; K256-E259 IonicContact NZ-OE1 3.37Å; K256-E259 PolarHBondContact NZ-OE1 3.21Å; K256-E259 IonicContact NZ-OE2 3.99Å; K256-E259 PolarHBondContact NZ-OE2 3.09Å
260	G	86.2	Confident	96	Very high	24 Å²	24	26 Å²	26	25%	0.247	13%	0.133	C	C	.	.	S	Bend	trans	-104.4	-20.7	-176.2	0	0	0	0	0	115	Q164 N258	Q164-G260 VanDerWaalsContact CB-O 3.22Å; Q164-G260 WeakPolarHBondContact CB-O 3.36Å; Q164-G260 PolarHBondContact OE1-O 2.92Å; N258-G260 PolarHBondContact O-N 3.42Å; N258-G260 PolarHBondContact OD1-N 3.48Å
261	R	91	Very high	96	Very high	59 Å²	59	26.4 Å²	26.4	22%	0.223	14%	0.135	C	C	.	.			trans	-123.8	123.4	-169	-169.9	163.6	171.3	-168.8	1.7	111.8	C69 V73 H257 N258	C69-R261 PolarHBondContact SG-NH2 3.16Å; V73-R261 HydrophobicContact CG1-CB 4.5Å; V73-R261 HydrophobicContact CG1-CG 4.2Å; H257-R261 HydrophobicContact CB-CB 4.49Å; H257-R261 WeakPolarHBondContact CB-O 3.06Å; H257-R261 PolarHBondContact N-O 3.07Å; N258-R261 PolarHBondContact N-O 3.33Å; N258-R261 WeakPolarHBondContact OD1-CB 3.34Å; N258-R261 PolarHBondContact OD1-N 3.13Å
262	S	94.8	Very high	96	Very high	21 Å²	21	26.4 Å²	26.4	15%	0.147	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.6	172.2	-57.5	0	0	0	0	110.8	G255	G255-S262 CarbonylContact O-C 3.57Å; G255-S262 WeakPolarHBondContact O-CA 3.33Å; G255-S262 WeakPolarHBondContact O-CB 3.41Å
263	S	96.7	Very high	95.9	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.028	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	153.3	176.9	-70.8	0	0	0	0	113.2	A222 Y223 Q253 E254 G255 H257 G265	A222-S263 PolarHBondContact O-OG 2.77Å; Y223-S263 CarbonylContact O-C 3.5Å; Y223-S263 WeakPolarHBondContact O-CA 3.2Å; Y223-S263 WeakPolarHBondContact O-CB 3.38Å; Y223-S263 PolarHBondContact O-OG 3.47Å; Q253-S263 WeakPolarHBondContact O-CB 3.45Å; E254-S263 CarbonylContact C-O 3.6Å; E254-S263 WeakPolarHBondContact CA-O 3.4Å; G255-S263 PolarHBondContact N-O 3.34Å; G255-S263 PolarHBondContact O-N 3.03Å; H257-S263 VanDerWaalsContact NE2-CB 3.28Å; H257-S263 WeakPolarHBondContact NE2-CB 3.28Å; H257-S263 PolarHBondContact NE2-OG 3.23Å; H257-S263 VanDerWaalsContact NE2-OG 3.15Å; S263-G265 PolarHBondContact O-N 3.29Å
264	Y	97.2	Very high	95.9	Very high	42 Å²	42	32.9 Å²	32.9	17%	0.165	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-30	-170.8	-175.5	-126.2	0	0	0	114.1	Y223 G228 E229 W233 H234 H266	Y223-Y264 PolarHBondContact O-N 2.91Å; G228-Y264 VanDerWaalsContact CA-CD1 3.47Å; G228-Y264 PolarHBondContact O-OH 2.87Å; E229-Y264 HydrophobicContact CG-CD2 4.32Å; E229-Y264 HydrophobicContact CG-CE2 3.97Å; W233-Y264 HydrophobicContact CB-CD1 4.07Å; W233-Y264 HydrophobicContact CB-CE1 4.09Å; W233-Y264 AromaticContact CD1-CD1 3.94Å; W233-Y264 AromaticContact CD1-CE1 3.94Å; W233-Y264 HydrophobicContact CG-CD1 4.07Å; W233-Y264 HydrophobicContact CG-CE1 4.26Å; H234-Y264 AromaticContact CE1-CE1 3.7Å; Y264-H266 HydrophobicContact CD1-CB 4.18Å; Y264-H266 AromaticContact CD1-CD2 3.7Å; Y264-H266 HydrophobicContact CE1-CB 3.99Å; Y264-H266 AromaticContact CE1-CD2 3.35Å; Y264-H266 WeakPolarHBondContact CE1-CD2 3.47Å; Y264-H266 AromaticContact CE1-CG 3.77Å; Y264-H266 AromaticContact CE2-CD2 3.73Å; Y264-H266 AromaticContact CE2-NE2 3.9Å; Y264-H266 AromaticContact CZ-CD2 3.34Å; Y264-H266 AromaticContact CZ-NE2 3.63Å; Y264-H266 PolarHBondContact O-CD2 2.69Å
265	G	97.8	Very high	95.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.18	C	C	.	.			trans	75.5	-136.1	-169.6	0	0	0	0	0	111.7	A252 Q253 S263 S267	A252-G265 WeakPolarHBondContact CB-O 3.38Å; Q253-G265 VanDerWaalsContact O-CA 3.25Å; Q253-G265 WeakPolarHBondContact O-CA 3.35Å; Q253-G265 PolarHBondContact O-N 3.12Å; S263-G265 PolarHBondContact O-N 3.29Å; G265-S267 PolarHBondContact O-N 3Å
266	H	98.2	Very high	96.1	Very high	49 Å²	49	38.5 Å²	38.5	23%	0.227	18%	0.181	C	C	.	.			trans	56	48.2	-177.2	-65	-90.8	0	0	0	112.8	Q35 W233 H234 Y264 L268 E279	Q35-H266 VanDerWaalsContact OE1-N 3.07Å; W233-H266 PolarHBondContact NE1-O 3.05Å; H234-H266 AromaticContact CE1-CG 3.98Å; Y264-H266 HydrophobicContact CD1-CB 4.18Å; Y264-H266 AromaticContact CD1-CD2 3.7Å; Y264-H266 HydrophobicContact CE1-CB 3.99Å; Y264-H266 AromaticContact CE1-CD2 3.35Å; Y264-H266 WeakPolarHBondContact CE1-CD2 3.47Å; Y264-H266 AromaticContact CE1-CG 3.77Å; Y264-H266 AromaticContact CE2-CD2 3.73Å; Y264-H266 AromaticContact CE2-NE2 3.9Å; Y264-H266 AromaticContact CZ-CD2 3.34Å; Y264-H266 AromaticContact CZ-NE2 3.63Å; Y264-H266 PolarHBondContact O-CD2 2.69Å; H266-L268 WeakPolarHBondContact O-CD2 3.26Å; H266-L268 PolarHBondContact O-N 3.18Å; H266-E279 IonicContact CE1-OE1 3.06Å; H266-E279 IonicContact CG-OE1 2.62Å; H266-E279 IonicContact ND1-OE1 3.21Å; H266-E279 PolarHBondContact ND1-OE1 2.8Å
267	S	98.8	Very high	96.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.			trans	-54.9	128.1	170.2	-62.9	0	0	0	0	109.5	Q35 A250 A252 G265 E279 Q280 L288	Q35-S267 WeakPolarHBondContact CB-OG 3.48Å; Q35-S267 PolarHBondContact OE1-OG 3.01Å; Q35-S267 VanDerWaalsContact OE1-OG 3.05Å; A250-S267 CarbonylContact O-C 3.59Å; A250-S267 VanDerWaalsContact O-CA 3.27Å; A250-S267 WeakPolarHBondContact O-CA 3.43Å; A252-S267 WeakPolarHBondContact CB-OG 3.35Å; A252-S267 PolarHBondContact N-OG 3.43Å; G265-S267 PolarHBondContact O-N 3Å; S267-E279 CarbonylContact O-C 3.56Å; S267-E279 WeakPolarHBondContact O-CA 3.17Å; S267-Q280 PolarHBondContact O-N 3.3Å; S267-L288 WeakPolarHBondContact O-CD2 3.18Å
268	L	98.8	Very high	96.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	159.8	-173.8	76.4	159	0	0	0	113.9	W233 I237 A250 H266 V270 I276 A278 E279	W233-L268 HydrophobicContact CZ2-CD2 3.87Å; I237-L268 HydrophobicContact CG1-CD2 4.38Å; I237-L268 HydrophobicContact CG2-CD1 4.04Å; I237-L268 HydrophobicContact CG2-CD2 4.36Å; I237-L268 HydrophobicContact CG2-CG 4.17Å; A250-L268 HydrophobicContact CB-CD2 3.97Å; A250-L268 PolarHBondContact N-O 3.08Å; A250-L268 PolarHBondContact O-N 3.11Å; H266-L268 WeakPolarHBondContact O-CD2 3.26Å; H266-L268 PolarHBondContact O-N 3.18Å; L268-V270 HydrophobicContact CD1-CG2 3.69Å; L268-V270 HydrophobicContact CG-CG2 4.32Å; L268-I276 HydrophobicContact CB-CG2 4.32Å; L268-I276 HydrophobicContact CD1-CD1 3.99Å; L268-I276 HydrophobicContact CD1-CG1 4Å; L268-I276 HydrophobicContact CD1-CG2 4.18Å; L268-A278 CarbonylContact C-O 3.56Å; L268-A278 VanDerWaalsContact CA-O 3.22Å; L268-A278 WeakPolarHBondContact CA-O 3.39Å; L268-A278 WeakPolarHBondContact CB-O 3.47Å; L268-E279 HydrophobicContact CB-CB 4.09Å; L268-E279 HydrophobicContact CB-CG 4.13Å
269	V	98.9	Very high	96.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.4	171.3	-173.5	0	0	0	0	109.2	V33 V248 V249 I277 A278 C290 I292	V33-V269 HydrophobicContact CG2-CG2 3.65Å; V248-V269 VanDerWaalsContact O-CA 3.3Å; V248-V269 WeakPolarHBondContact O-CA 3.27Å; V249-V269 HydrophobicContact CG1-CG2 4.38Å; V249-V269 HydrophobicContact CG2-CG1 4.17Å; V249-V269 HydrophobicContact CG2-CG2 4.34Å; V269-I277 HydrophobicContact CB-CD1 4.48Å; V269-I277 HydrophobicContact CB-CG1 4.07Å; V269-I277 HydrophobicContact CG1-CD1 3.84Å; V269-I277 HydrophobicContact CG1-CG1 3.92Å; V269-I277 WeakPolarHBondContact O-CG1 3.43Å; V269-I277 PolarHBondContact O-N 3.48Å; V269-A278 HydrophobicContact CB-CB 4.29Å; V269-A278 HydrophobicContact CG2-CB 4.5Å; V269-A278 PolarHBondContact N-O 3.21Å; V269-A278 PolarHBondContact O-N 3Å; V269-C290 VanDerWaalsContact CG2-SG 3.6Å; V269-I292 HydrophobicContact CG1-CG2 3.99Å
270	V	98.8	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.4	179.6	-175.9	0	0	0	0	109.6	I237 R238 A241 Y247 V248 L268 Q275 I276	I237-V270 HydrophobicContact CG2-CB 4.29Å; I237-V270 HydrophobicContact CG2-CG2 3.56Å; R238-V270 HydrophobicContact CG-CG1 4.08Å; R238-V270 HydrophobicContact CG-CG2 4.06Å; A241-V270 HydrophobicContact CB-CB 4.07Å; A241-V270 HydrophobicContact CB-CG1 3.57Å; Y247-V270 CarbonylContact C-O 3.56Å; Y247-V270 VanDerWaalsContact CA-O 3.3Å; Y247-V270 WeakPolarHBondContact CA-O 3.42Å; V248-V270 HydrophobicContact CB-CB 4.49Å; V248-V270 PolarHBondContact N-O 2.9Å; V248-V270 PolarHBondContact O-N 3.45Å; L268-V270 HydrophobicContact CD1-CG2 3.69Å; L268-V270 HydrophobicContact CG-CG2 4.32Å; V270-Q275 CarbonylContact C-O 3.59Å; V270-Q275 VanDerWaalsContact CA-O 3.31Å; V270-Q275 WeakPolarHBondContact CA-O 3.5Å; V270-Q275 WeakPolarHBondContact CG1-O 3.48Å; V270-I276 HydrophobicContact CG2-CG1 4.04Å
271	D	98.3	Very high	97.6	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.043	17%	0.169	C	C	.	.			trans	-78.6	167	176.2	89.2	-17.4	0	0	0	112.1	A241 Y247 W273 G274 Q275 I277 K307	A241-D271 WeakPolarHBondContact CB-O 3.37Å; Y247-D271 HydrophobicContact CD1-CB 4.25Å; Y247-D271 HydrophobicContact CE1-CB 3.92Å; D271-W273 PolarHBondContact O-N 2.84Å; D271-W273 WeakPolarHBondContact OD1-CA 3.43Å; D271-W273 WeakPolarHBondContact OD1-CB 3.4Å; D271-W273 PolarHBondContact OD1-N 3.22Å; D271-G274 PolarHBondContact O-N 2.86Å; D271-G274 PolarHBondContact OD1-N 3.38Å; D271-Q275 PolarHBondContact N-O 2.93Å; D271-Q275 PolarHBondContact OD1-N 2.91Å; D271-I277 HydrophobicContact CB-CD1 4.45Å; D271-I277 HydrophobicContact CB-CG2 3.92Å; D271-K307 VanDerWaalsContact OD2-CE 3.22Å; D271-K307 WeakPolarHBondContact OD2-CE 3.39Å; D271-K307 IonicContact OD2-NZ 3.88Å
272	P	98.1	Very high	97.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-16.3	178.5	-27.5	36.2	0	0	0	115.5	Q245 C246 Y247 I308 V311	Q245-P272 HydrophobicContact CB-CB 4.48Å; C246-P272 WeakPolarHBondContact O-CA 3.22Å; Y247-P272 HydrophobicContact CD2-CG 3.74Å; Y247-P272 HydrophobicContact CE2-CG 3.75Å; Y247-P272 HydrophobicContact CG-CG 4.23Å; P272-I308 HydrophobicContact CB-CG1 4.37Å; P272-I308 HydrophobicContact CG-CB 4.03Å; P272-I308 HydrophobicContact CG-CD1 4.48Å; P272-I308 HydrophobicContact CG-CG1 3.88Å; P272-V311 HydrophobicContact CB-CB 4.17Å; P272-V311 HydrophobicContact CB-CG1 4.19Å; P272-V311 HydrophobicContact CB-CG2 4.15Å
273	W	97.7	Very high	97.7	Very high	135 Å²	135	42.4 Å²	42.4	51%	0.511	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-8.2	176.4	-165.4	-106.4	0	0	0	112.4	D271 V311 M315	D271-W273 PolarHBondContact O-N 2.84Å; D271-W273 WeakPolarHBondContact OD1-CA 3.43Å; D271-W273 WeakPolarHBondContact OD1-CB 3.4Å; D271-W273 PolarHBondContact OD1-N 3.22Å; W273-V311 HydrophobicContact CB-CG2 4.15Å; W273-V311 HydrophobicContact CE3-CB 4.35Å; W273-V311 HydrophobicContact CE3-CG1 3.86Å; W273-V311 HydrophobicContact CE3-CG2 3.84Å; W273-V311 HydrophobicContact CZ3-CG1 4.39Å; W273-M315 HydrophobicContact CH2-CE 4.15Å; W273-M315 HydrophobicContact CZ3-CE 4.28Å
274	G	98.2	Very high	97.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.01	23%	0.226	C	C	.	.	S	Bend	trans	90.3	13.2	-178.8	0	0	0	0	0	114.3	R238 D271	R238-G274 PolarHBondContact NE-O 2.73Å; R238-G274 PolarHBondContact NH2-O 3.48Å; D271-G274 PolarHBondContact O-N 2.86Å; D271-G274 PolarHBondContact OD1-N 3.38Å
275	Q	98.4	Very high	97.6	Very high	118 Å²	118	43 Å²	43	55%	0.551	23%	0.23	S	C	*	.			trans	-83.1	130.5	173.1	-177	172.9	6.3	0	0	110	V270 D271 I277	V270-Q275 CarbonylContact C-O 3.59Å; V270-Q275 VanDerWaalsContact CA-O 3.31Å; V270-Q275 WeakPolarHBondContact CA-O 3.5Å; V270-Q275 WeakPolarHBondContact CG1-O 3.48Å; D271-Q275 PolarHBondContact N-O 2.93Å; D271-Q275 PolarHBondContact OD1-N 2.91Å; Q275-I277 HydrophobicContact CG-CG2 4.38Å; Q275-I277 PolarHBondContact O-N 3.17Å
276	I	98.7	Very high	97.6	Very high	53 Å²	53	43.4 Å²	43.4	27%	0.272	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	110.8	168	-55.9	175.8	0	0	0	107.1	R238 L268 V270 E279	R238-I276 HydrophobicContact CG-CG1 4.33Å; L268-I276 HydrophobicContact CB-CG2 4.32Å; L268-I276 HydrophobicContact CD1-CD1 3.99Å; L268-I276 HydrophobicContact CD1-CG1 4Å; L268-I276 HydrophobicContact CD1-CG2 4.18Å; V270-I276 HydrophobicContact CG2-CG1 4.04Å; I276-E279 HydrophobicContact CG2-CB 3.87Å
277	I	98.4	Very high	97.6	Very high	64 Å²	64	42.3 Å²	42.3	33%	0.328	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-15.3	-178.1	56.4	169.6	0	0	0	112.5	Y247 V269 D271 Q275 I292	Y247-I277 HydrophobicContact CD1-CD1 4.24Å; Y247-I277 HydrophobicContact CE1-CD1 4.06Å; V269-I277 HydrophobicContact CB-CD1 4.48Å; V269-I277 HydrophobicContact CB-CG1 4.07Å; V269-I277 HydrophobicContact CG1-CD1 3.84Å; V269-I277 HydrophobicContact CG1-CG1 3.92Å; V269-I277 WeakPolarHBondContact O-CG1 3.43Å; V269-I277 PolarHBondContact O-N 3.48Å; D271-I277 HydrophobicContact CB-CD1 4.45Å; D271-I277 HydrophobicContact CB-CG2 3.92Å; Q275-I277 HydrophobicContact CG-CG2 4.38Å; Q275-I277 PolarHBondContact O-N 3.17Å; I277-I292 HydrophobicContact CD1-CG2 3.89Å
278	A	98.5	Very high	97.6	Very high	13 Å²	13	43.4 Å²	43.4	11%	0.107	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	136.9	174.5	0	0	0	0	0	109.1	L268 V269 L288 C290	L268-A278 CarbonylContact C-O 3.56Å; L268-A278 VanDerWaalsContact CA-O 3.22Å; L268-A278 WeakPolarHBondContact CA-O 3.39Å; L268-A278 WeakPolarHBondContact CB-O 3.47Å; V269-A278 HydrophobicContact CB-CB 4.29Å; V269-A278 HydrophobicContact CG2-CB 4.5Å; V269-A278 PolarHBondContact N-O 3.21Å; V269-A278 PolarHBondContact O-N 3Å; A278-L288 HydrophobicContact CB-CD1 3.89Å; A278-L288 HydrophobicContact CB-CD2 3.76Å; A278-L288 HydrophobicContact CB-CG 3.91Å; A278-C290 HydrophobicContact CB-CB 3.64Å
279	E	98.6	Very high	97.6	Very high	49 Å²	49	46 Å²	46	23%	0.229	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	137.8	175.1	-178.9	173.8	175.8	0	0	110	H234 H266 S267 L268 I276 T281	H234-E279 IonicContact CD2-OE1 2.78Å; H234-E279 IonicContact CD2-OE2 3.89Å; H234-E279 IonicContact CE1-OE1 2.81Å; H234-E279 IonicContact NE2-OE1 3.03Å; H234-E279 PolarHBondContact NE2-OE1 3.49Å; H234-E279 IonicContact NE2-OE2 2.94Å; H266-E279 IonicContact CE1-OE1 3.06Å; H266-E279 IonicContact CG-OE1 2.62Å; H266-E279 IonicContact ND1-OE1 3.21Å; H266-E279 PolarHBondContact ND1-OE1 2.8Å; S267-E279 CarbonylContact O-C 3.56Å; S267-E279 WeakPolarHBondContact O-CA 3.17Å; L268-E279 HydrophobicContact CB-CB 4.09Å; L268-E279 HydrophobicContact CB-CG 4.13Å; I276-E279 HydrophobicContact CG2-CB 3.87Å; E279-T281 HydrophobicContact CB-CG2 4.34Å; E279-T281 HydrophobicContact CG-CG2 3.94Å; E279-T281 PolarHBondContact O-N 3.48Å
280	Q	97.7	Very high	97.5	Very high	30 Å²	30	46.7 Å²	46.7	14%	0.14	26%	0.256	C	S	.	.			trans	-83.1	96.6	168.6	-178.6	61.5	-83.9	0	0	109.2	Q35 S267	Q35-Q280 HydrophobicContact CB-CG 4.3Å; S267-Q280 PolarHBondContact O-N 3.3Å
281	T	95.5	Very high	97.3	Very high	91 Å²	91	52.3 Å²	52.3	56%	0.558	28%	0.282	S	S	*	.			trans	-92.1	-19	178.2	59.4	0	0	0	0	113.1	E279	E279-T281 HydrophobicContact CB-CG2 4.34Å; E279-T281 HydrophobicContact CG-CG2 3.94Å; E279-T281 PolarHBondContact O-N 3.48Å
282	N	93.9	Very high	97.2	Very high	112 Å²	112	51.9 Å²	51.9	60%	0.599	28%	0.28	S	S	*	.	S	Bend	trans	-80.6	136.9	179.2	-66.7	-38	0	0	0	109.7
283	P	94	Very high	96.8	Very high	120 Å²	120	52.1 Å²	52.1	78%	0.779	28%	0.283	S	S	*	.	S	Bend	trans	-63.1	143.7	176.8	-24.3	33.8	0	0	0	113.5	E254	E254-P283 WeakPolarHBondContact OE1-CA 3.42Å
284	G	95.3	Very high	96.4	Very high	22 Å²	22	46.4 Å²	46.4	23%	0.227	26%	0.263	C	S	.	.	S	Bend	trans	102	169.1	172	0	0	0	0	0	115	Q35 E254	Q35-G284 PolarHBondContact NE2-O 2.92Å; E254-G284 PolarHBondContact OE1-N 2.87Å; E254-G284 VanDerWaalsContact OE1-N 3.07Å; E254-G284 WeakPolarHBondContact OE2-CA 3.42Å; E254-G284 PolarHBondContact OE2-N 2.79Å
285	P	97.5	Very high	95.7	Very high	37 Å²	37	47.2 Å²	47.2	24%	0.24	27%	0.266	C	S	.	.	S	Bend	trans	-59.9	139.3	179.7	-23.2	33.5	0	0	0	112.2	Q35 Q37 Q48 Y52	Q35-P285 CarbonylContact O-C 3.55Å; Q35-P285 WeakPolarHBondContact O-CA 3.08Å; Q37-P285 HydrophobicContact CB-CG 3.81Å; Q48-P285 HydrophobicContact CG-CB 4.39Å; Y52-P285 HydrophobicContact CE2-CB 3.83Å; Y52-P285 VanDerWaalsContact OH-C 3.26Å; Y52-P285 PolarHBondContact OH-O 3.2Å
286	G	97.9	Very high	94.7	Very high	9 Å²	9	43.9 Å²	43.9	9%	0.093	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	166.7	-176.5	0	0	0	0	0	114	V34 Q35	V34-G286 WeakPolarHBondContact CA-O 3.4Å; Q35-G286 PolarHBondContact N-O 3.22Å; Q35-G286 PolarHBondContact O-N 3.24Å
287	L	98.2	Very high	93.1	Very high	25 Å²	25	46.5 Å²	46.5	13%	0.131	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.8	172.8	175.1	67.9	0	0	0	109.9	V34 Y52 Q55 A56 T289	V34-L287 HydrophobicContact CG2-CD1 4.05Å; Y52-L287 HydrophobicContact CD1-CB 3.87Å; Y52-L287 HydrophobicContact CG-CB 4.38Å; Q55-L287 HydrophobicContact CB-CD2 4.05Å; Q55-L287 HydrophobicContact CG-CD2 3.82Å; A56-L287 HydrophobicContact CB-CD1 4.03Å; A56-L287 HydrophobicContact CB-CD2 3.81Å; L287-T289 HydrophobicContact CD1-CG2 4.29Å; L287-T289 HydrophobicContact CD2-CG2 3.84Å; L287-T289 HydrophobicContact CG-CG2 3.83Å
288	L	98	Very high	91	Very high	24 Å²	24	44.8 Å²	44.8	13%	0.126	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.4	166.1	-179.8	69.1	0	0	0	108.8	G32 V33 S267 A278	G32-L288 CarbonylContact C-O 3.57Å; G32-L288 WeakPolarHBondContact CA-O 3.37Å; V33-L288 HydrophobicContact CB-CB 4.26Å; V33-L288 HydrophobicContact CB-CD2 4.43Å; V33-L288 PolarHBondContact N-O 2.75Å; V33-L288 WeakPolarHBondContact O-CB 3.48Å; V33-L288 PolarHBondContact O-N 2.67Å; S267-L288 WeakPolarHBondContact O-CD2 3.18Å; A278-L288 HydrophobicContact CB-CD1 3.89Å; A278-L288 HydrophobicContact CB-CD2 3.76Å; A278-L288 HydrophobicContact CB-CG 3.91Å
289	T	98.1	Very high	88.8	Confident	53 Å²	53	49.5 Å²	49.5	33%	0.325	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.5	173.8	67.8	0	0	0	0	111.4	V31 V61 L287	V31-T289 VanDerWaalsContact O-CA 3.29Å; V31-T289 WeakPolarHBondContact O-CA 3.5Å; V61-T289 HydrophobicContact CG2-CG2 3.95Å; L287-T289 HydrophobicContact CD1-CG2 4.29Å; L287-T289 HydrophobicContact CD2-CG2 3.84Å; L287-T289 HydrophobicContact CG-CG2 3.83Å
290	C	96.9	Very high	86.8	Confident	15 Å²	15	53.4 Å²	53.4	10%	0.101	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	168.3	172.9	69.3	0	0	0	0	111.5	K30 V31 V269 A278	K30-C290 CarbonylContact C-O 3.53Å; K30-C290 WeakPolarHBondContact CA-O 3.3Å; V31-C290 WeakPolarHBondContact CG2-SG 3.44Å; V31-C290 PolarHBondContact N-O 3.47Å; V31-C290 PolarHBondContact O-N 3.48Å; V269-C290 VanDerWaalsContact CG2-SG 3.6Å; A278-C290 HydrophobicContact CB-CB 3.64Å
291	E	96.3	Very high	84.7	Confident	118 Å²	118	57.7 Å²	57.7	55%	0.551	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.3	177.1	-77.2	-170.3	-162.9	0	0	110.8	T28 T29 K30	T28-E291 WeakPolarHBondContact CB-OE2 3.32Å; T28-E291 HydrophobicContact CG2-CB 4.38Å; T28-E291 PolarHBondContact OG1-OE2 3.21Å; T29-E291 WeakPolarHBondContact O-CA 3.42Å; K30-E291 HydrophobicContact CB-CG 4.35Å; K30-E291 HydrophobicContact CG-CG 4.48Å
292	I	96.1	Very high	82.9	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	156	176	64.2	174	0	0	0	111.4	T28 T29 V31 V188 V216 Y247 V269 I277 F295	T28-I292 CarbonylContact C-O 3.6Å; T28-I292 WeakPolarHBondContact CA-O 3.48Å; T29-I292 PolarHBondContact N-O 3.22Å; T29-I292 PolarHBondContact O-N 3.41Å; V31-I292 HydrophobicContact CG1-CD1 3.72Å; V31-I292 HydrophobicContact CG1-CG1 3.79Å; V188-I292 HydrophobicContact CB-CD1 3.95Å; V188-I292 HydrophobicContact CG1-CD1 3.72Å; V188-I292 HydrophobicContact CG1-CG1 4.1Å; V216-I292 HydrophobicContact CG2-CD1 4.04Å; Y247-I292 HydrophobicContact CD1-CB 3.8Å; Y247-I292 HydrophobicContact CD1-CG2 3.54Å; Y247-I292 HydrophobicContact CE1-CB 3.8Å; Y247-I292 HydrophobicContact CE1-CG2 3.73Å; Y247-I292 HydrophobicContact CG-CB 4.19Å; Y247-I292 HydrophobicContact CG-CG2 4.28Å; V269-I292 HydrophobicContact CG1-CG2 3.99Å; I277-I292 HydrophobicContact CD1-CG2 3.89Å; I292-F295 HydrophobicContact CB-CZ 4.17Å; I292-F295 HydrophobicContact CD1-CZ 3.95Å; I292-F295 HydrophobicContact CG1-CE2 4.16Å; I292-F295 HydrophobicContact CG1-CZ 3.81Å
293	G	89.2	Confident	81.4	Confident	6 Å²	6	56.5 Å²	56.5	6%	0.062	34%	0.344	C	S	.	.			trans	92.4	-157.7	-176	0	0	0	0	0	113.1	T28 Y247	T28-G293 WeakPolarHBondContact CG2-O 3.28Å; Y247-G293 PolarHBondContact OH-N 3.13Å
294	P	89.4	Confident	80.4	Confident	15 Å²	15	56.3 Å²	56.3	10%	0.097	34%	0.336	C	S	.	.			cis	-61.3	168.9	-3.4	23.6	-31.4	0	0	0	113.2	P306	P294-P306 HydrophobicContact CG-CB 3.96Å; P294-P306 HydrophobicContact CG-CG 4.04Å; P294-P306 WeakPolarHBondContact O-CB 3.44Å
295	F	84.1	Confident	79.7	Confident	17 Å²	17	57.7 Å²	57.7	8%	0.075	34%	0.337	C	S	.	.			trans	-118.6	0.6	-176.3	-58.4	-76.6	0	0	0	113.8	V188 H215 V216 Y247 I292 Y309	V188-F295 VanDerWaalsContact CA-CE2 3.44Å; V188-F295 HydrophobicContact CB-CE2 3.97Å; V188-F295 HydrophobicContact CB-CZ 4.24Å; V188-F295 WeakPolarHBondContact O-CD2 3.48Å; V188-F295 VanDerWaalsContact O-CE2 3.32Å; V188-F295 WeakPolarHBondContact O-CE2 3.44Å; V188-F295 WeakPolarHBondContact O-CZ 3.38Å; H215-F295 HydrophobicContact CB-CD1 3.62Å; H215-F295 HydrophobicContact CB-CE1 3.98Å; H215-F295 HydrophobicContact CB-CG 4.46Å; V216-F295 HydrophobicContact CG2-CE1 3.95Å; V216-F295 HydrophobicContact CG2-CZ 3.91Å; Y247-F295 AromaticContact CD2-CE1 3.73Å; Y247-F295 HydrophobicContact CD2-CE1 3.73Å; Y247-F295 HydrophobicContact CD2-CZ 4.18Å; Y247-F295 AromaticContact CE2-CE1 3.94Å; Y247-F295 HydrophobicContact CE2-CE1 3.94Å; Y247-F295 HydrophobicContact CE2-CZ 4.35Å; I292-F295 HydrophobicContact CB-CZ 4.17Å; I292-F295 HydrophobicContact CD1-CZ 3.95Å; I292-F295 HydrophobicContact CG1-CE2 4.16Å; I292-F295 HydrophobicContact CG1-CZ 3.81Å; F295-Y309 PolarHBondContact O-OH 3.25Å
296	T	76.7	Confident	79.4	Confident	49 Å²	49	56.1 Å²	56.1	30%	0.301	33%	0.327	S	S	.	.	S	Bend	trans	-113	137.7	176.3	65.5	0	0	0	0	109.7	R25 P306	R25-T296 HydrophobicContact CB-CG2 4.45Å; R25-T296 WeakPolarHBondContact CB-OG1 3.49Å; R25-T296 HydrophobicContact CG-CG2 4.23Å; R25-T296 PolarHBondContact O-OG1 2.6Å; T296-P306 VanDerWaalsContact O-CG 3.28Å; T296-P306 WeakPolarHBondContact O-CG 3.32Å
297	M	65.6	Low	79.1	Confident	108 Å²	108	59.1 Å²	59.1	53%	0.532	34%	0.337	S	S	.	.			trans	-73	123.2	163.8	-66.4	-67.9	-75.8	0	0	107.4	I305 P306 Y309	M297-I305 HydrophobicContact CE-CG2 4.42Å; M297-I305 HydrophobicContact SD-CG2 4.27Å; M297-P306 HydrophobicContact SD-CG 4.33Å; M297-Y309 HydrophobicContact CG-CD2 3.86Å; M297-Y309 HydrophobicContact CG-CE2 3.74Å; M297-Y309 HydrophobicContact CG-CG 4.32Å; M297-Y309 HydrophobicContact SD-CD1 4.48Å; M297-Y309 HydrophobicContact SD-CD2 3.34Å; M297-Y309 WeakPolarHBondContact SD-CD2 3.15Å; M297-Y309 HydrophobicContact SD-CE2 3.88Å; M297-Y309 HydrophobicContact SD-CG 3.69Å
298	I	54.1	Low	78.9	Confident	28 Å²	28	57.9 Å²	57.9	14%	0.144	33%	0.331	C	S	.	.			trans	-84.6	148.5	169.2	-63.4	-176.5	0	0	0	108.5	N26 T302	N26-I298 HydrophobicContact CB-CD1 3.29Å; N26-I298 WeakPolarHBondContact OD1-CD1 3.38Å; I298-T302 WeakPolarHBondContact CB-OG1 3.31Å; I298-T302 HydrophobicContact CG2-CG2 3.83Å; I298-T302 WeakPolarHBondContact CG2-OG1 3.39Å
299	N	52.5	Low	78.7	Confident	111 Å²	111	59.6 Å²	59.6	59%	0.594	34%	0.336	S	S	*	.			trans	-19	135.3	168.6	-62.4	-11.2	0	0	0	112.4	T301 T302	N299-T301 PolarHBondContact O-N 2.91Å; N299-T302 PolarHBondContact O-N 2.81Å; N299-T302 PolarHBondContact O-OG1 2.94Å
300	S	55.8	Low	78.5	Confident	131 Å²	131	61.1 Å²	61.1	92%	0.916	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	-10.7	-175.8	52.3	0	0	0	0	116.9
301	T	53.7	Low	78.4	Confident	120 Å²	120	60.7 Å²	60.7	74%	0.736	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-21	176.3	45.7	0	0	0	0	116.2	N299	N299-T301 PolarHBondContact O-N 2.91Å
302	T	57	Low	78.4	Confident	56 Å²	56	56.4 Å²	56.4	34%	0.344	32%	0.315	S	S	.	.			trans	-92.6	125.6	178	55	0	0	0	0	111.6	I298 N299 I304	I298-T302 WeakPolarHBondContact CB-OG1 3.31Å; I298-T302 HydrophobicContact CG2-CG2 3.83Å; I298-T302 WeakPolarHBondContact CG2-OG1 3.39Å; N299-T302 PolarHBondContact O-N 2.81Å; N299-T302 PolarHBondContact O-OG1 2.94Å; T302-I304 PolarHBondContact O-N 3.12Å
303	S	63.3	Low	78.3	Confident	122 Å²	122	65.6 Å²	65.6	85%	0.853	35%	0.35	S	S	*	.			trans	-72.3	-5.5	-177.5	-49.3	0	0	0	0	115.4	I305	S303-I305 PolarHBondContact O-N 3.33Å
304	I	72.2	Confident	78.5	Confident	117 Å²	117	69.5 Å²	69.5	60%	0.6	38%	0.377	S	S	*	.			trans	-94.5	97.6	-176	-54.1	177.2	0	0	0	109.3	T302	T302-I304 PolarHBondContact O-N 3.12Å
305	I	81.9	Confident	78.8	Confident	51 Å²	51	72.8 Å²	72.8	26%	0.262	39%	0.392	S	S	.	.			trans	-75	129.4	170.6	-59.8	174.3	0	0	0	107.9	M297 S303 Q310	M297-I305 HydrophobicContact CE-CG2 4.42Å; M297-I305 HydrophobicContact SD-CG2 4.27Å; S303-I305 PolarHBondContact O-N 3.33Å; I305-Q310 HydrophobicContact CB-CG 3.89Å; I305-Q310 HydrophobicContact CG2-CG 3.76Å; I305-Q310 WeakPolarHBondContact O-CG 3.39Å; I305-Q310 PolarHBondContact O-NE2 3.21Å
306	P	90.3	Very high	79.4	Confident	4 Å²	4	73.7 Å²	73.7	3%	0.026	40%	0.399	C	S	.	.			trans	-59.3	145.2	175.4	-18.6	26.4	0	0	0	113	P294 T296 M297 I308 Y309 Q310	P294-P306 HydrophobicContact CG-CB 3.96Å; P294-P306 HydrophobicContact CG-CG 4.04Å; P294-P306 WeakPolarHBondContact O-CB 3.44Å; T296-P306 VanDerWaalsContact O-CG 3.28Å; T296-P306 WeakPolarHBondContact O-CG 3.32Å; M297-P306 HydrophobicContact SD-CG 4.33Å; P306-I308 VanDerWaalsContact C-N 3.26Å; P306-I308 PolarHBondContact O-N 2.93Å; P306-I308 VanDerWaalsContact O-N 3.14Å; P306-Y309 HydrophobicContact CB-CD2 3.77Å; P306-Y309 HydrophobicContact CB-CE2 4.28Å; P306-Y309 HydrophobicContact CG-CD2 3.67Å; P306-Y309 HydrophobicContact CG-CE2 4.03Å; P306-Y309 PolarHBondContact O-N 3.22Å; P306-Q310 PolarHBondContact O-N 3.25Å
307	K	92.3	Very high	80.2	Confident	71 Å²	71	73.2 Å²	73.2	31%	0.309	40%	0.396	S	S	.	.	H	α-helix	trans	-50.8	-43.2	-173.8	177.8	67.2	174.3	-170.3	0	113	D271 Y309 Q310 V311	D271-K307 VanDerWaalsContact OD2-CE 3.22Å; D271-K307 WeakPolarHBondContact OD2-CE 3.39Å; D271-K307 IonicContact OD2-NZ 3.88Å; K307-Y309 VanDerWaalsContact C-N 3.28Å; K307-Y309 PolarHBondContact O-N 3.44Å; K307-Q310 WeakPolarHBondContact O-CB 2.97Å; K307-Q310 PolarHBondContact O-N 2.81Å; K307-Q310 VanDerWaalsContact O-N 3.17Å; K307-V311 HydrophobicContact CD-CG2 4.28Å; K307-V311 WeakPolarHBondContact O-CG2 3.31Å; K307-V311 PolarHBondContact O-N 3.32Å
308	I	94	Very high	81.6	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-57.7	-40.5	179	-163.7	170.3	0	0	0	112.3	H215 Q245 Y247 P272 P306 R312	H215-I308 HydrophobicContact CB-CD1 4.07Å; Q245-I308 VanDerWaalsContact O-CG1 3.31Å; Q245-I308 WeakPolarHBondContact O-CG1 3.47Å; Y247-I308 HydrophobicContact CE2-CB 4.44Å; P272-I308 HydrophobicContact CB-CG1 4.37Å; P272-I308 HydrophobicContact CG-CB 4.03Å; P272-I308 HydrophobicContact CG-CD1 4.48Å; P272-I308 HydrophobicContact CG-CG1 3.88Å; P306-I308 VanDerWaalsContact C-N 3.26Å; P306-I308 PolarHBondContact O-N 2.93Å; P306-I308 VanDerWaalsContact O-N 3.14Å; I308-R312 WeakPolarHBondContact O-CB 3.31Å; I308-R312 VanDerWaalsContact O-CG 3.22Å; I308-R312 WeakPolarHBondContact O-CG 3.48Å; I308-R312 PolarHBondContact O-N 2.88Å
309	Y	92.9	Very high	83.4	Confident	59 Å²	59	79.3 Å²	79.3	23%	0.231	42%	0.416	C	S	.	.	H	α-helix	trans	-79	-30.6	177.9	-58.7	-65.5	0	0	0	112.6	H215 F295 M297 P306 K307 V311 R312 R313	H215-Y309 PolarHBondContact NE2-OH 3.42Å; F295-Y309 PolarHBondContact O-OH 3.25Å; M297-Y309 HydrophobicContact CG-CD2 3.86Å; M297-Y309 HydrophobicContact CG-CE2 3.74Å; M297-Y309 HydrophobicContact CG-CG 4.32Å; M297-Y309 HydrophobicContact SD-CD1 4.48Å; M297-Y309 HydrophobicContact SD-CD2 3.34Å; M297-Y309 WeakPolarHBondContact SD-CD2 3.15Å; M297-Y309 HydrophobicContact SD-CE2 3.88Å; M297-Y309 HydrophobicContact SD-CG 3.69Å; P306-Y309 HydrophobicContact CB-CD2 3.77Å; P306-Y309 HydrophobicContact CB-CE2 4.28Å; P306-Y309 HydrophobicContact CG-CD2 3.67Å; P306-Y309 HydrophobicContact CG-CE2 4.03Å; P306-Y309 PolarHBondContact O-N 3.22Å; K307-Y309 VanDerWaalsContact C-N 3.28Å; K307-Y309 PolarHBondContact O-N 3.44Å; Y309-V311 VanDerWaalsContact C-N 3.33Å; Y309-R312 PolarHBondContact O-N 3.27Å; Y309-R313 VanDerWaalsContact O-CB 3.26Å; Y309-R313 WeakPolarHBondContact O-CB 3.06Å; Y309-R313 PolarHBondContact O-N 3.1Å
310	Q	93.5	Very high	85.4	Confident	86 Å²	86	80.3 Å²	80.3	40%	0.402	42%	0.416	S	S	.	.	H	α-helix	trans	-60	-45.2	169.7	-63.2	-179.4	13.5	0	0	110.9	I305 P306 K307 R313 S314	I305-Q310 HydrophobicContact CB-CG 3.89Å; I305-Q310 HydrophobicContact CG2-CG 3.76Å; I305-Q310 WeakPolarHBondContact O-CG 3.39Å; I305-Q310 PolarHBondContact O-NE2 3.21Å; P306-Q310 PolarHBondContact O-N 3.25Å; K307-Q310 WeakPolarHBondContact O-CB 2.97Å; K307-Q310 PolarHBondContact O-N 2.81Å; K307-Q310 VanDerWaalsContact O-N 3.17Å; Q310-R313 PolarHBondContact O-N 3.14Å; Q310-S314 VanDerWaalsContact O-CB 3.32Å; Q310-S314 WeakPolarHBondContact O-CB 3.32Å; Q310-S314 PolarHBondContact O-N 2.67Å; Q310-S314 PolarHBondContact O-OG 2.89Å
311	V	95.9	Very high	87.2	Confident	5 Å²	5	77.7 Å²	77.7	3%	0.03	39%	0.387	C	S	.	.	H	α-helix	trans	-65.2	-48.7	178	172.3	0	0	0	0	110.8	Q245 P272 W273 K307 Y309 R313 S314 M315	Q245-V311 HydrophobicContact CB-CG1 4.08Å; Q245-V311 HydrophobicContact CG-CG1 4.22Å; Q245-V311 PolarHBondContact NE2-O 2.85Å; P272-V311 HydrophobicContact CB-CB 4.17Å; P272-V311 HydrophobicContact CB-CG1 4.19Å; P272-V311 HydrophobicContact CB-CG2 4.15Å; W273-V311 HydrophobicContact CB-CG2 4.15Å; W273-V311 HydrophobicContact CE3-CB 4.35Å; W273-V311 HydrophobicContact CE3-CG1 3.86Å; W273-V311 HydrophobicContact CE3-CG2 3.84Å; W273-V311 HydrophobicContact CZ3-CG1 4.39Å; K307-V311 HydrophobicContact CD-CG2 4.28Å; K307-V311 WeakPolarHBondContact O-CG2 3.31Å; K307-V311 PolarHBondContact O-N 3.32Å; Y309-V311 VanDerWaalsContact C-N 3.33Å; V311-R313 VanDerWaalsContact C-N 3.25Å; V311-R313 PolarHBondContact O-N 3.14Å; V311-S314 PolarHBondContact O-N 3.26Å; V311-S314 VanDerWaalsContact O-N 3.15Å; V311-M315 PolarHBondContact O-N 2.92Å
312	R	95.5	Very high	89.2	Confident	29 Å²	29	78.2 Å²	78.2	11%	0.109	38%	0.375	C	S	.	.	H	α-helix	trans	-57.4	-37	176.4	-71	170.6	-174.5	-164.7	-1.8	112.5	R209 A214 Q245 I308 Y309 M315 P316	R209-R312 VanDerWaalsContact CZ-NH2 3.32Å; A214-R312 PolarHBondContact O-NH2 3.42Å; Q245-R312 HydrophobicContact CB-CG 4.05Å; I308-R312 WeakPolarHBondContact O-CB 3.31Å; I308-R312 VanDerWaalsContact O-CG 3.22Å; I308-R312 WeakPolarHBondContact O-CG 3.48Å; I308-R312 PolarHBondContact O-N 2.88Å; Y309-R312 PolarHBondContact O-N 3.27Å; R312-M315 CarbonylContact O-C 3.57Å; R312-P316 WeakPolarHBondContact O-CA 3.16Å
313	R	93.6	Very high	90.8	Very high	192 Å²	192	79 Å²	79	73%	0.725	37%	0.374	S	S	*	.	H	α-helix	trans	-73.6	-40.7	175.5	-178.2	177.6	172.9	176.7	-1.3	113	Y309 Q310 V311	Y309-R313 VanDerWaalsContact O-CB 3.26Å; Y309-R313 WeakPolarHBondContact O-CB 3.06Å; Y309-R313 PolarHBondContact O-N 3.1Å; Q310-R313 PolarHBondContact O-N 3.14Å; V311-R313 VanDerWaalsContact C-N 3.25Å; V311-R313 PolarHBondContact O-N 3.14Å
314	S	95.2	Very high	92.3	Very high	89 Å²	89	76.1 Å²	76.1	62%	0.622	35%	0.349	S	S	*	.	H	α-helix	trans	-75.5	-31.1	-175.9	-54.7	0	0	0	0	112.3	Q310 V311	Q310-S314 VanDerWaalsContact O-CB 3.32Å; Q310-S314 WeakPolarHBondContact O-CB 3.32Å; Q310-S314 PolarHBondContact O-N 2.67Å; Q310-S314 PolarHBondContact O-OG 2.89Å; V311-S314 PolarHBondContact O-N 3.26Å; V311-S314 VanDerWaalsContact O-N 3.15Å
315	M	95.8	Very high	93.3	Very high	84 Å²	84	74.4 Å²	74.4	41%	0.414	34%	0.341	S	S	.	.	S	Bend	trans	-130.3	81.6	175.8	-166.4	-179.5	-69.7	0	0	108.8	Q245 W273 V311 R312 V317	Q245-M315 PolarHBondContact NE2-O 3.09Å; W273-M315 HydrophobicContact CH2-CE 4.15Å; W273-M315 HydrophobicContact CZ3-CE 4.28Å; V311-M315 PolarHBondContact O-N 2.92Å; R312-M315 CarbonylContact O-C 3.57Å; M315-V317 HydrophobicContact CG-CG1 3.74Å; M315-V317 PolarHBondContact O-N 3.41Å; M315-V317 HydrophobicContact SD-CG1 4.12Å
316	P	95.3	Very high	93.9	Very high	35 Å²	35	78.6 Å²	78.6	23%	0.227	36%	0.357	C	S	.	.			trans	-75.7	54.9	-171.4	28.3	-32.4	0	0	0	113.7	R312 E318 Y319 H320	R312-P316 WeakPolarHBondContact O-CA 3.16Å; P316-E318 PolarHBondContact O-N 3.42Å; P316-E318 VanDerWaalsContact O-N 3.14Å; P316-Y319 HydrophobicContact CB-CD2 3.8Å; P316-Y319 PolarHBondContact O-N 3.27Å; P316-H320 PolarHBondContact O-N 2.88Å; P316-H320 VanDerWaalsContact O-N 3.12Å
317	V	95	Very high	94	Very high	39 Å²	39	81.9 Å²	81.9	24%	0.236	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.6	-175.9	-57.6	0	0	0	0	112.7	Q245 M315 Y319 H320 R321	Q245-V317 HydrophobicContact CG-CG2 4.02Å; M315-V317 HydrophobicContact CG-CG1 3.74Å; M315-V317 PolarHBondContact O-N 3.41Å; M315-V317 HydrophobicContact SD-CG1 4.12Å; V317-Y319 VanDerWaalsContact C-N 3.32Å; V317-Y319 PolarHBondContact O-N 2.65Å; V317-H320 CarbonylContact O-C 3.46Å; V317-H320 PolarHBondContact O-N 2.96Å; V317-H320 VanDerWaalsContact O-N 3.13Å; V317-R321 WeakPolarHBondContact O-CG 3.41Å; V317-R321 PolarHBondContact O-N 3.07Å; V317-R321 VanDerWaalsContact O-N 3.14Å
318	E	93.4	Very high	94	Very high	74 Å²	74	79.1 Å²	79.1	35%	0.346	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-45.9	175	-175.1	170.1	168	0	0	111.7	R209 Y210 P316 H320	R209-E318 IonicContact CZ-OE2 3.72Å; R209-E318 IonicContact NH2-OE2 2.82Å; R209-E318 PolarHBondContact NH2-OE2 3.46Å; Y210-E318 HydrophobicContact CD1-CG 4.18Å; Y210-E318 HydrophobicContact CE1-CB 4.06Å; Y210-E318 HydrophobicContact CE1-CG 4.06Å; P316-E318 PolarHBondContact O-N 3.42Å; P316-E318 VanDerWaalsContact O-N 3.14Å; E318-H320 VanDerWaalsContact C-N 3.33Å
319	Y	92.6	Very high	93.8	Very high	190 Å²	190	81 Å²	81	75%	0.745	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-14.9	178.3	-57.5	-67.8	0	0	0	113.3	P316 V317	P316-Y319 HydrophobicContact CB-CD2 3.8Å; P316-Y319 PolarHBondContact O-N 3.27Å; V317-Y319 VanDerWaalsContact C-N 3.32Å; V317-Y319 PolarHBondContact O-N 2.65Å
320	H	95	Very high	93.7	Very high	132 Å²	132	79 Å²	79	61%	0.611	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-1.6	176.3	-62.9	172.4	0	0	0	113.2	P316 V317 E318	P316-H320 PolarHBondContact O-N 2.88Å; P316-H320 VanDerWaalsContact O-N 3.12Å; V317-H320 CarbonylContact O-C 3.46Å; V317-H320 PolarHBondContact O-N 2.96Å; V317-H320 VanDerWaalsContact O-N 3.13Å; E318-H320 VanDerWaalsContact C-N 3.33Å
321	R	92.9	Very high	93.8	Very high	77 Å²	77	75.4 Å²	75.4	29%	0.291	36%	0.357	S	S	.	.			trans	-63.2	136.4	174.2	-74.1	-171.8	157	-128.8	-6.4	110.4	S206 V317 F323	S206-R321 PolarHBondContact OG-NH2 3.06Å; S206-R321 VanDerWaalsContact OG-NH2 3.09Å; V317-R321 WeakPolarHBondContact O-CG 3.41Å; V317-R321 PolarHBondContact O-N 3.07Å; V317-R321 VanDerWaalsContact O-N 3.14Å; R321-F323 HydrophobicContact CB-CD1 4.19Å; R321-F323 HydrophobicContact CB-CE1 3.62Å; R321-F323 HydrophobicContact CB-CE2 4.34Å; R321-F323 HydrophobicContact CB-CZ 3.71Å; R321-F323 HydrophobicContact CG-CE1 4.41Å; R321-F323 HydrophobicContact CG-CZ 4.49Å; R321-F323 PolarHBondContact O-N 3.45Å
322	R	95	Very high	93.7	Very high	131 Å²	131	75.1 Å²	75.1	49%	0.494	36%	0.356	S	S	.	.			trans	-94.5	76.6	-177.7	-71.8	-67.1	-60.3	-83.1	0.3	111.2	D324 L325 F326	R322-D324 WeakPolarHBondContact CA-OD1 3.42Å; R322-D324 WeakPolarHBondContact CB-OD1 3.22Å; R322-D324 IonicContact CZ-OD1 2.74Å; R322-D324 IonicContact CZ-OD2 2.74Å; R322-D324 IonicContact NE-OD1 2.73Å; R322-D324 PolarHBondContact NE-OD1 3.15Å; R322-D324 IonicContact NE-OD2 2.79Å; R322-D324 PolarHBondContact NE-OD2 3.15Å; R322-D324 IonicContact NH2-OD1 2.66Å; R322-D324 IonicContact NH2-OD2 3.12Å; R322-D324 PolarHBondContact NH2-OD2 3Å; R322-D324 PolarHBondContact O-N 3Å; R322-L325 HydrophobicContact CB-CB 4.24Å; R322-L325 HydrophobicContact CB-CD1 4.22Å; R322-L325 HydrophobicContact CB-CG 4.29Å; R322-L325 PolarHBondContact O-N 3.34Å; R322-F326 HydrophobicContact CB-CD2 4.26Å; R322-F326 PolarHBondContact O-N 3.44Å
323	F	92.2	Very high	93.6	Very high	73 Å²	73	76.2 Å²	76.2	32%	0.32	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.8	-179.9	-61.2	-40.2	0	0	0	113.9	R321 L325 F326 M328 A392	R321-F323 HydrophobicContact CB-CD1 4.19Å; R321-F323 HydrophobicContact CB-CE1 3.62Å; R321-F323 HydrophobicContact CB-CE2 4.34Å; R321-F323 HydrophobicContact CB-CZ 3.71Å; R321-F323 HydrophobicContact CG-CE1 4.41Å; R321-F323 HydrophobicContact CG-CZ 4.49Å; R321-F323 PolarHBondContact O-N 3.45Å; F323-L325 PolarHBondContact O-N 2.84Å; F323-F326 VanDerWaalsContact CA-O 3.32Å; F323-F326 WeakPolarHBondContact CA-O 3.39Å; F323-M328 HydrophobicContact CB-CG 4.41Å; F323-M328 HydrophobicContact CD1-CB 4.35Å; F323-M328 HydrophobicContact CD1-CG 3.49Å; F323-M328 VanDerWaalsContact CD1-CG 3.49Å; F323-M328 HydrophobicContact CD2-CG 4.25Å; F323-M328 HydrophobicContact CD2-SD 4.41Å; F323-M328 HydrophobicContact CE1-CB 4.21Å; F323-M328 HydrophobicContact CE1-CG 3.67Å; F323-M328 HydrophobicContact CE2-CG 4.4Å; F323-M328 HydrophobicContact CG-CG 3.8Å; F323-M328 HydrophobicContact CG-SD 4.46Å; F323-M328 HydrophobicContact CZ-CG 4.13Å; F323-A392 HydrophobicContact CB-CB 3.67Å; F323-A392 WeakPolarHBondContact O-CB 3.44Å; F323-A392 PolarHBondContact O-N 3.22Å; F323-A392 VanDerWaalsContact O-N 3.07Å
324	D	93.2	Very high	93.6	Very high	61 Å²	61	69.4 Å²	69.4	33%	0.326	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.8	168.7	62.5	-51.8	0	0	0	113	R322 N390 L391	R322-D324 WeakPolarHBondContact CA-OD1 3.42Å; R322-D324 WeakPolarHBondContact CB-OD1 3.22Å; R322-D324 IonicContact CZ-OD1 2.74Å; R322-D324 IonicContact CZ-OD2 2.74Å; R322-D324 IonicContact NE-OD1 2.73Å; R322-D324 PolarHBondContact NE-OD1 3.15Å; R322-D324 IonicContact NE-OD2 2.79Å; R322-D324 PolarHBondContact NE-OD2 3.15Å; R322-D324 IonicContact NH2-OD1 2.66Å; R322-D324 IonicContact NH2-OD2 3.12Å; R322-D324 PolarHBondContact NH2-OD2 3Å; R322-D324 PolarHBondContact O-N 3Å; D324-N390 HydrophobicContact CB-CB 4.2Å; D324-L391 PolarHBondContact O-N 3.47Å
325	L	94.3	Very high	93.5	Very high	81 Å²	81	68 Å²	68	42%	0.424	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-27.6	-177.6	-58.1	-177.9	0	0	0	114	R322 F323 L391	R322-L325 HydrophobicContact CB-CB 4.24Å; R322-L325 HydrophobicContact CB-CD1 4.22Å; R322-L325 HydrophobicContact CB-CG 4.29Å; R322-L325 PolarHBondContact O-N 3.34Å; F323-L325 PolarHBondContact O-N 2.84Å; L325-L391 WeakPolarHBondContact O-CD1 3.48Å
326	F	94	Very high	93.4	Very high	139 Å²	139	69.2 Å²	69.2	61%	0.61	34%	0.339	S	S	*	.	S	Bend	trans	-132.7	128.9	-174.9	-56.7	-74.3	0	0	0	110.2	R322 F323	R322-F326 HydrophobicContact CB-CD2 4.26Å; R322-F326 PolarHBondContact O-N 3.44Å; F323-F326 VanDerWaalsContact CA-O 3.32Å; F323-F326 WeakPolarHBondContact CA-O 3.39Å
327	P	93.3	Very high	93.5	Very high	73 Å²	73	69.2 Å²	69.2	47%	0.474	34%	0.336	S	S	.	.			trans	-54.5	149.2	173.6	-27.3	36.2	0	0	0	112.9	A395	P327-A395 HydrophobicContact CB-CB 3.76Å; P327-A395 HydrophobicContact CG-CB 4.08Å
328	M	92.2	Very high	93.4	Very high	13 Å²	13	71.1 Å²	71.1	6%	0.064	34%	0.343	C	S	.	.			trans	-71.8	149.2	174.2	-49.9	174.2	-61.7	0	0	110	F323 D330 S331 E359 L360 A392 D396	F323-M328 HydrophobicContact CB-CG 4.41Å; F323-M328 HydrophobicContact CD1-CB 4.35Å; F323-M328 HydrophobicContact CD1-CG 3.49Å; F323-M328 VanDerWaalsContact CD1-CG 3.49Å; F323-M328 HydrophobicContact CD2-CG 4.25Å; F323-M328 HydrophobicContact CD2-SD 4.41Å; F323-M328 HydrophobicContact CE1-CB 4.21Å; F323-M328 HydrophobicContact CE1-CG 3.67Å; F323-M328 HydrophobicContact CE2-CG 4.4Å; F323-M328 HydrophobicContact CG-CG 3.8Å; F323-M328 HydrophobicContact CG-SD 4.46Å; F323-M328 HydrophobicContact CZ-CG 4.13Å; M328-D330 WeakPolarHBondContact CB-OD1 3.39Å; M328-D330 PolarHBondContact O-N 2.95Å; M328-D330 VanDerWaalsContact O-N 3.14Å; M328-S331 PolarHBondContact N-OG 3.33Å; M328-S331 PolarHBondContact O-N 2.89Å; M328-S331 PolarHBondContact O-OG 2.81Å; M328-S331 VanDerWaalsContact O-OG 3.14Å; M328-E359 HydrophobicContact CE-CB 3.98Å; M328-E359 HydrophobicContact CE-CG 4.37Å; M328-E359 HydrophobicContact SD-CB 4.33Å; M328-E359 HydrophobicContact SD-CG 4.09Å; M328-L360 HydrophobicContact CE-CD1 3.55Å; M328-L360 HydrophobicContact CE-CG 3.75Å; M328-L360 HydrophobicContact SD-CD1 3.83Å; M328-L360 HydrophobicContact SD-CG 4.14Å; M328-A392 HydrophobicContact CG-CB 4.01Å; M328-D396 HydrophobicContact CE-CB 3.93Å
329	S	89.3	Confident	93.5	Very high	38 Å²	38	73.9 Å²	73.9	27%	0.266	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-7.7	179.4	-57.2	0	0	0	0	113.6	H207	H207-S329 PolarHBondContact ND1-O 3.44Å
330	D	89.8	Confident	93.7	Very high	18 Å²	18	67.3 Å²	67.3	10%	0.096	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	18.2	-173.3	61.4	-14.9	0	0	0	112.6	A211 M328 G332 Y333 R335	A211-D330 HydrophobicContact CB-CB 3.43Å; A211-D330 VanDerWaalsContact CB-CB 3.43Å; M328-D330 WeakPolarHBondContact CB-OD1 3.39Å; M328-D330 PolarHBondContact O-N 2.95Å; M328-D330 VanDerWaalsContact O-N 3.14Å; D330-G332 PolarHBondContact O-N 3.21Å; D330-Y333 HydrophobicContact CB-CD2 4.3Å; D330-Y333 HydrophobicContact CB-CG 4.4Å; D330-Y333 VanDerWaalsContact O-CB 3.31Å; D330-Y333 WeakPolarHBondContact O-CB 3.33Å; D330-Y333 VanDerWaalsContact O-CD2 3.32Å; D330-Y333 WeakPolarHBondContact O-CD2 3.49Å; D330-Y333 PolarHBondContact O-N 2.74Å; D330-R335 IonicContact OD2-CZ 3.58Å; D330-R335 IonicContact OD2-NH2 3.8Å; D330-R335 PolarHBondContact OD2-NH2 3.11Å
331	S	95.5	Very high	93.9	Very high	10 Å²	10	63.9 Å²	63.9	7%	0.07	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	125.7	174.1	-71	0	0	0	0	111.3	M328 Y333 M399	M328-S331 PolarHBondContact N-OG 3.33Å; M328-S331 PolarHBondContact O-N 2.89Å; M328-S331 PolarHBondContact O-OG 2.81Å; M328-S331 VanDerWaalsContact O-OG 3.14Å; S331-Y333 VanDerWaalsContact C-N 3.27Å; S331-Y333 PolarHBondContact O-N 3.06Å; S331-M399 VanDerWaalsContact O-CB 3.24Å; S331-M399 WeakPolarHBondContact O-CB 3.44Å
332	G	95.6	Very high	94.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	74	3.7	179.6	0	0	0	0	0	115.5	D330 Y356 D396 T400 Q403	D330-G332 PolarHBondContact O-N 3.21Å; G332-Y356 PolarHBondContact O-OH 2.67Å; G332-D396 PolarHBondContact N-OD1 3.46Å; G332-T400 WeakPolarHBondContact CA-OG1 3.46Å; G332-Q403 WeakPolarHBondContact O-CG 3.36Å
333	Y	92.6	Very high	94.2	Very high	51 Å²	51	58.8 Å²	58.8	20%	0.2	32%	0.324	C	S	.	.			trans	-70.4	144.8	174.5	-83	-113.5	0	0	0	111	H207 D330 S331 R335 S358	H207-Y333 AromaticContact CE1-CZ 3.67Å; H207-Y333 PolarHBondContact CE1-OH 2.96Å; H207-Y333 VanDerWaalsContact CE1-OH 3.25Å; D330-Y333 HydrophobicContact CB-CD2 4.3Å; D330-Y333 HydrophobicContact CB-CG 4.4Å; D330-Y333 VanDerWaalsContact O-CB 3.31Å; D330-Y333 WeakPolarHBondContact O-CB 3.33Å; D330-Y333 VanDerWaalsContact O-CD2 3.32Å; D330-Y333 WeakPolarHBondContact O-CD2 3.49Å; D330-Y333 PolarHBondContact O-N 2.74Å; S331-Y333 VanDerWaalsContact C-N 3.27Å; S331-Y333 PolarHBondContact O-N 3.06Å; Y333-R335 PolarHBondContact O-N 3.3Å; Y333-S358 WeakPolarHBondContact O-CA 3.41Å
334	P	93.6	Very high	94.5	Very high	50 Å²	50	56 Å²	56	33%	0.325	31%	0.312	S	S	.	.			trans	-65.8	137.8	-177.8	26.7	-32	0	0	0	111.4	Y356 Q357 Y485	P334-Y356 HydrophobicContact CB-CE2 4.07Å; P334-Y356 VanDerWaalsContact CD-OH 3.28Å; P334-Y356 WeakPolarHBondContact CD-OH 3.5Å; P334-Q357 CarbonylContact C-O 3.56Å; P334-Q357 WeakPolarHBondContact CA-O 3.3Å; P334-Y485 HydrophobicContact CB-CE1 3.92Å
335	R	93.3	Very high	94.6	Very high	59 Å²	59	54 Å²	54	22%	0.223	31%	0.306	C	S	.	.			trans	-117.7	158.9	172.1	-64.2	-70.1	172.4	-105.2	9.9	109.2	D330 Y333 I337 Q357 E359 Y485	D330-R335 IonicContact OD2-CZ 3.58Å; D330-R335 IonicContact OD2-NH2 3.8Å; D330-R335 PolarHBondContact OD2-NH2 3.11Å; Y333-R335 PolarHBondContact O-N 3.3Å; R335-I337 PolarHBondContact O-N 3.43Å; R335-Q357 HydrophobicContact CB-CG 4.44Å; R335-Q357 PolarHBondContact N-O 3.12Å; R335-E359 IonicContact NE-OE2 3.78Å; R335-E359 PolarHBondContact NE-OE2 2.67Å; R335-Y485 WeakPolarHBondContact O-CE1 3.39Å; R335-Y485 VanDerWaalsContact O-CZ 3.31Å; R335-Y485 PolarHBondContact O-OH 2.6Å
336	S	93.8	Very high	94.6	Very high	109 Å²	109	55.3 Å²	55.3	76%	0.762	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-59.3	126.7	171	-61.4	0	0	0	0	109.6	Q338	S336-Q338 PolarHBondContact O-N 3.35Å
337	I	96.2	Very high	94.6	Very high	35 Å²	35	53.2 Å²	53.2	18%	0.179	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-65	121.4	176.3	-58.5	171.4	0	0	0	108	R335 F342 V354 Q357 R481 Y485	R335-I337 PolarHBondContact O-N 3.43Å; I337-F342 HydrophobicContact CG2-CE2 4.34Å; I337-F342 HydrophobicContact CG2-CZ 4.27Å; I337-V354 HydrophobicContact CD1-CG1 4.43Å; I337-V354 HydrophobicContact CG2-CB 4.18Å; I337-V354 HydrophobicContact CG2-CG1 3.98Å; I337-Q357 VanDerWaalsContact CA-OE1 3.28Å; I337-Q357 HydrophobicContact CG1-CB 4.01Å; I337-R481 HydrophobicContact CD1-CG 3.89Å; I337-Y485 HydrophobicContact CD1-CE2 3.99Å; I337-Y485 HydrophobicContact CG1-CE2 4.31Å
338	Q	94.3	Very high	94.8	Very high	80 Å²	80	55.2 Å²	55.2	37%	0.374	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-64.9	153.3	178.9	61.8	-179.9	24.1	0	0	111.6	S336 F342 S351	S336-Q338 PolarHBondContact O-N 3.35Å; Q338-F342 HydrophobicContact CG-CE1 3.85Å; Q338-F342 HydrophobicContact CG-CE2 3.77Å; Q338-F342 HydrophobicContact CG-CZ 3.3Å; Q338-S351 WeakPolarHBondContact O-CB 3.48Å
339	T	95.6	Very high	95.1	Very high	131 Å²	131	55.7 Å²	55.7	80%	0.804	32%	0.319	S	S	*	.	S	Bend	trans	-77.6	-24.4	178.4	54.5	0	0	0	0	112.8	S351	T339-S351 WeakPolarHBondContact O-CB 3.08Å; T339-S351 PolarHBondContact O-OG 3.07Å
340	A	96.9	Very high	95.5	Very high	53 Å²	53	58.3 Å²	58.3	44%	0.438	33%	0.326	S	S	.	.	S	Bend	trans	-67.7	144.9	175.8	0	0	0	0	0	110.9	F342	A340-F342 WeakPolarHBondContact O-CE2 3.43Å
341	D	97.8	Very high	95.9	Very high	59 Å²	59	58.7 Å²	58.7	32%	0.316	33%	0.33	S	S	.	.			trans	-68	160.6	174.8	-59.5	-32.7	0	0	0	111.1	I348 I349 K350 S351	D341-I348 HydrophobicContact CB-CG2 3.6Å; D341-I349 WeakPolarHBondContact CA-O 3.37Å; D341-I349 WeakPolarHBondContact CB-O 3.47Å; D341-K350 VanDerWaalsContact CG-NZ 3.27Å; D341-K350 WeakPolarHBondContact OD1-CA 3.2Å; D341-K350 WeakPolarHBondContact OD1-CE 3.44Å; D341-K350 IonicContact OD1-NZ 2.58Å; D341-K350 PolarHBondContact OD1-NZ 3.05Å; D341-K350 VanDerWaalsContact OD1-NZ 3.09Å; D341-K350 IonicContact OD2-NZ 3.23Å; D341-K350 PolarHBondContact OD2-NZ 3.27Å; D341-S351 PolarHBondContact OD1-N 2.66Å; D341-S351 VanDerWaalsContact OD1-N 3.15Å
342	F	97.8	Very high	96	Very high	5 Å²	5	60.7 Å²	60.7	2%	0.022	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	155.1	-176.7	-60.7	-107.7	0	0	0	110.7	I337 Q338 A340 I349 V354 Q357 F362	I337-F342 HydrophobicContact CG2-CE2 4.34Å; I337-F342 HydrophobicContact CG2-CZ 4.27Å; Q338-F342 HydrophobicContact CG-CE1 3.85Å; Q338-F342 HydrophobicContact CG-CE2 3.77Å; Q338-F342 HydrophobicContact CG-CZ 3.3Å; A340-F342 WeakPolarHBondContact O-CE2 3.43Å; F342-I349 HydrophobicContact CB-CB 4.33Å; F342-I349 PolarHBondContact N-O 3.04Å; F342-I349 PolarHBondContact O-N 2.79Å; F342-V354 HydrophobicContact CD2-CG2 3.59Å; F342-V354 HydrophobicContact CE2-CB 4.22Å; F342-V354 HydrophobicContact CE2-CG1 4.32Å; F342-V354 HydrophobicContact CE2-CG2 3.66Å; F342-V354 HydrophobicContact CG-CG2 4.26Å; F342-V354 HydrophobicContact CZ-CG1 4.31Å; F342-V354 HydrophobicContact CZ-CG2 4.35Å; F342-Q357 VanDerWaalsContact CZ-OE1 3.29Å; F342-F362 HydrophobicContact CB-CD2 4.12Å; F342-F362 HydrophobicContact CB-CE1 4.19Å; F342-F362 HydrophobicContact CB-CE2 3.52Å; F342-F362 HydrophobicContact CB-CZ 3.55Å; F342-F362 HydrophobicContact CD1-CB 4.24Å; F342-F362 AromaticContact CD1-CD1 3.8Å; F342-F362 HydrophobicContact CD1-CD1 3.8Å; F342-F362 AromaticContact CD1-CD2 3.82Å; F342-F362 HydrophobicContact CD1-CD2 3.82Å; F342-F362 HydrophobicContact CD1-CE1 4.01Å; F342-F362 HydrophobicContact CD1-CE2 4.05Å; F342-F362 AromaticContact CD1-CG 3.69Å; F342-F362 HydrophobicContact CD1-CG 3.69Å; F342-F362 HydrophobicContact CD1-CZ 4.12Å; F342-F362 HydrophobicContact CE1-CB 4.02Å; F342-F362 HydrophobicContact CE1-CD1 4.33Å; F342-F362 HydrophobicContact CE1-CD2 4.33Å; F342-F362 AromaticContact CE1-CG 3.98Å; F342-F362 HydrophobicContact CE1-CG 3.98Å; F342-F362 AromaticContact CG-CD2 3.97Å; F342-F362 HydrophobicContact CG-CD2 3.97Å; F342-F362 AromaticContact CG-CE2 3.9Å; F342-F362 HydrophobicContact CG-CE2 3.9Å; F342-F362 HydrophobicContact CG-CG 4.31Å; F342-F362 HydrophobicContact CG-CZ 4.17Å
343	N	97.6	Very high	96.1	Very high	96 Å²	96	60.8 Å²	60.8	51%	0.513	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.3	174.7	-67.2	-33.2	0	0	0	110.6	H433	N343-H433 PolarHBondContact O-CE1 3.48Å
344	F	97.2	Very high	96.4	Very high	14 Å²	14	58.4 Å²	58.4	6%	0.061	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	85	167.1	178.7	-129	0	0	0	109.1	H347 I349 F364 L376 V431 H433 H435	F344-H347 PolarHBondContact N-O 3.18Å; F344-H347 WeakPolarHBondContact O-CB 3.48Å; F344-H347 PolarHBondContact O-CD2 3.39Å; F344-H347 PolarHBondContact O-N 2.93Å; F344-I349 HydrophobicContact CB-CD1 3.93Å; F344-I349 HydrophobicContact CB-CG1 3.64Å; F344-I349 HydrophobicContact CD1-CD1 4.48Å; F344-F364 HydrophobicContact CB-CZ 4.2Å; F344-F364 HydrophobicContact CD1-CE2 4.3Å; F344-F364 AromaticContact CD1-CZ 3.87Å; F344-F364 HydrophobicContact CD1-CZ 3.87Å; F344-F364 HydrophobicContact CD2-CZ 4.1Å; F344-F364 HydrophobicContact CE1-CZ 4.25Å; F344-F364 AromaticContact CG-CZ 3.78Å; F344-F364 HydrophobicContact CG-CZ 3.78Å; F344-L376 HydrophobicContact CE1-CD1 3.94Å; F344-L376 HydrophobicContact CZ-CD1 3.97Å; F344-V431 HydrophobicContact CD1-CG1 4.04Å; F344-V431 HydrophobicContact CD1-CG2 4.4Å; F344-V431 HydrophobicContact CD2-CG1 4.11Å; F344-V431 HydrophobicContact CE1-CB 3.85Å; F344-V431 HydrophobicContact CE1-CG1 3.78Å; F344-V431 HydrophobicContact CE1-CG2 3.64Å; F344-V431 HydrophobicContact CE2-CB 4.17Å; F344-V431 HydrophobicContact CE2-CG1 3.8Å; F344-V431 HydrophobicContact CG-CG1 4.21Å; F344-V431 HydrophobicContact CZ-CB 3.6Å; F344-V431 HydrophobicContact CZ-CG1 3.65Å; F344-V431 HydrophobicContact CZ-CG2 3.89Å; F344-H433 HydrophobicContact CD2-CB 4.18Å; F344-H433 AromaticContact CD2-ND1 3.81Å; F344-H433 HydrophobicContact CE2-CB 4.25Å; F344-H435 HydrophobicContact CE2-CB 3.72Å; F344-H435 AromaticContact CE2-CG 3.55Å; F344-H435 AromaticContact CE2-ND1 3.45Å; F344-H435 WeakPolarHBondContact CE2-ND1 3.45Å; F344-H435 HydrophobicContact CZ-CB 4.25Å; F344-H435 AromaticContact CZ-CD2 3.9Å; F344-H435 AromaticContact CZ-CE1 3.77Å; F344-H435 AromaticContact CZ-CG 3.68Å; F344-H435 AromaticContact CZ-ND1 3.6Å; F344-H435 AromaticContact CZ-NE2 3.93Å
345	G	95.2	Very high	96.6	Very high	19 Å²	19	56 Å²	56	20%	0.196	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	-124.8	-169.1	0	0	0	0	0	109.8	H347 H433	G345-H347 PolarHBondContact O-N 3.47Å; G345-H433 PolarHBondContact N-ND1 3.15Å
346	P	94.3	Very high	96.9	Very high	110 Å²	110	53.4 Å²	53.4	71%	0.714	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.3	176.3	34.8	-35.3	0	0	0	113.7
347	H	95.8	Very high	97.1	Very high	95 Å²	95	49 Å²	49	44%	0.44	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.7	-173.9	-53.3	-62.4	0	0	0	111.9	F344 G345	F344-H347 PolarHBondContact N-O 3.18Å; F344-H347 WeakPolarHBondContact O-CB 3.48Å; F344-H347 PolarHBondContact O-CD2 3.39Å; F344-H347 PolarHBondContact O-N 2.93Å; G345-H347 PolarHBondContact O-N 3.47Å
348	I	97.2	Very high	97.1	Very high	115 Å²	115	47.3 Å²	47.3	59%	0.59	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.5	172	-64.5	164.6	0	0	0	108.5	D341	D341-I348 HydrophobicContact CB-CG2 3.6Å
349	I	97.9	Very high	97.1	Very high	23 Å²	23	48 Å²	48	12%	0.118	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	113.3	172.7	-52	-54.8	0	0	0	108	D341 F342 F344 S351 C353 V354 F364	D341-I349 WeakPolarHBondContact CA-O 3.37Å; D341-I349 WeakPolarHBondContact CB-O 3.47Å; F342-I349 HydrophobicContact CB-CB 4.33Å; F342-I349 PolarHBondContact N-O 3.04Å; F342-I349 PolarHBondContact O-N 2.79Å; F344-I349 HydrophobicContact CB-CD1 3.93Å; F344-I349 HydrophobicContact CB-CG1 3.64Å; F344-I349 HydrophobicContact CD1-CD1 4.48Å; I349-S351 PolarHBondContact O-N 3.09Å; I349-C353 HydrophobicContact CG2-CB 4.44Å; I349-V354 HydrophobicContact CG2-CG2 3.92Å; I349-F364 HydrophobicContact CD1-CD2 3.99Å; I349-F364 HydrophobicContact CD1-CE2 3.67Å; I349-F364 HydrophobicContact CD1-CZ 4.27Å; I349-F364 HydrophobicContact CG1-CD2 4.16Å; I349-F364 HydrophobicContact CG1-CE2 4.01Å; I349-F364 HydrophobicContact CG1-CZ 4.25Å; I349-F364 HydrophobicContact CG2-CB 3.87Å; I349-F364 HydrophobicContact CG2-CD2 3.89Å; I349-F364 HydrophobicContact CG2-CG 3.86Å
350	K	98	Very high	97.2	Very high	93 Å²	93	44 Å²	44	40%	0.404	24%	0.241	S	C	.	.			trans	-60.5	137.5	177.3	-62.2	-60.4	-61.6	169	0	110.4	D341 D352 C353	D341-K350 VanDerWaalsContact CG-NZ 3.27Å; D341-K350 WeakPolarHBondContact OD1-CA 3.2Å; D341-K350 WeakPolarHBondContact OD1-CE 3.44Å; D341-K350 IonicContact OD1-NZ 2.58Å; D341-K350 PolarHBondContact OD1-NZ 3.05Å; D341-K350 VanDerWaalsContact OD1-NZ 3.09Å; D341-K350 IonicContact OD2-NZ 3.23Å; D341-K350 PolarHBondContact OD2-NZ 3.27Å; K350-D352 WeakPolarHBondContact CB-OD1 3.45Å; K350-D352 PolarHBondContact O-N 2.82Å; K350-D352 VanDerWaalsContact O-N 3.11Å; K350-C353 WeakPolarHBondContact O-CB 3.32Å; K350-C353 PolarHBondContact O-N 3.33Å
351	S	97.6	Very high	97.3	Very high	25 Å²	25	41.4 Å²	41.4	18%	0.175	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-58.5	-28.1	-176.1	60.3	0	0	0	0	113	Q338 T339 D341 I349 C353 V354 R481	Q338-S351 WeakPolarHBondContact O-CB 3.48Å; T339-S351 WeakPolarHBondContact O-CB 3.08Å; T339-S351 PolarHBondContact O-OG 3.07Å; D341-S351 PolarHBondContact OD1-N 2.66Å; D341-S351 VanDerWaalsContact OD1-N 3.15Å; I349-S351 PolarHBondContact O-N 3.09Å; S351-C353 VanDerWaalsContact C-N 3.29Å; S351-C353 PolarHBondContact O-N 2.89Å; S351-V354 PolarHBondContact O-N 2.85Å; S351-R481 PolarHBondContact O-NH2 3.44Å
352	D	97.7	Very high	97.3	Very high	52 Å²	52	38.7 Å²	38.7	28%	0.278	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-73.4	-10.3	175.5	65.4	-11.2	0	0	0	115	K350 H470 S474 A477 R481	K350-D352 WeakPolarHBondContact CB-OD1 3.45Å; K350-D352 PolarHBondContact O-N 2.82Å; K350-D352 VanDerWaalsContact O-N 3.11Å; D352-H470 IonicContact OD1-CE1 3.24Å; D352-H470 PolarHBondContact OD1-CE1 3.17Å; D352-H470 IonicContact OD1-NE2 3.76Å; D352-H470 PolarHBondContact OD1-NE2 3.35Å; D352-H470 IonicContact OD2-CD2 2.84Å; D352-H470 IonicContact OD2-CE1 3.88Å; D352-H470 IonicContact OD2-NE2 3.09Å; D352-H470 PolarHBondContact OD2-NE2 2.54Å; D352-S474 WeakPolarHBondContact O-CA 3.35Å; D352-S474 PolarHBondContact O-OG 2.68Å; D352-A477 WeakPolarHBondContact O-CB 3.48Å; D352-R481 VanDerWaalsContact CA-NH2 3.33Å
353	C	98.4	Very high	97.4	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.02	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-98	-8.9	172.3	-70.9	0	0	0	0	113.6	I349 K350 S351 F364 V365 H470 A477	I349-C353 HydrophobicContact CG2-CB 4.44Å; K350-C353 WeakPolarHBondContact O-CB 3.32Å; K350-C353 PolarHBondContact O-N 3.33Å; S351-C353 VanDerWaalsContact C-N 3.29Å; S351-C353 PolarHBondContact O-N 2.89Å; C353-F364 WeakPolarHBondContact O-CA 3.28Å; C353-F364 WeakPolarHBondContact O-CB 3.44Å; C353-V365 HydrophobicContact CB-CG2 4.37Å; C353-V365 PolarHBondContact O-N 3.2Å; C353-H470 PolarHBondContact SG-CE1 2.73Å; C353-A477 WeakPolarHBondContact O-CB 3.29Å
354	V	98.5	Very high	97.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.2	171.8	177.7	0	0	0	0	109	I337 F342 I349 S351 Y356 F362 A363 F364 R481	I337-V354 HydrophobicContact CD1-CG1 4.43Å; I337-V354 HydrophobicContact CG2-CB 4.18Å; I337-V354 HydrophobicContact CG2-CG1 3.98Å; F342-V354 HydrophobicContact CD2-CG2 3.59Å; F342-V354 HydrophobicContact CE2-CB 4.22Å; F342-V354 HydrophobicContact CE2-CG1 4.32Å; F342-V354 HydrophobicContact CE2-CG2 3.66Å; F342-V354 HydrophobicContact CG-CG2 4.26Å; F342-V354 HydrophobicContact CZ-CG1 4.31Å; F342-V354 HydrophobicContact CZ-CG2 4.35Å; I349-V354 HydrophobicContact CG2-CG2 3.92Å; S351-V354 PolarHBondContact O-N 2.85Å; V354-Y356 WeakPolarHBondContact CG1-O 3.22Å; V354-F362 HydrophobicContact CG1-CB 4.2Å; V354-F362 HydrophobicContact CG1-CD2 4.32Å; V354-F362 HydrophobicContact CG2-CD2 3.97Å; V354-F362 HydrophobicContact CG2-CE2 4.46Å; V354-A363 CarbonylContact C-O 3.49Å; V354-A363 WeakPolarHBondContact CA-O 3.13Å; V354-A363 WeakPolarHBondContact CG1-O 3.33Å; V354-F364 HydrophobicContact CG2-CB 4.15Å; V354-R481 PolarHBondContact O-NE 3.37Å; V354-R481 PolarHBondContact O-NH2 2.89Å
355	F	97.8	Very high	97.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-10.1	179.3	70.2	-89.7	0	0	0	114.6	A363 V365 I375 I404 A477 L480 R481 Y484 Y485	F355-A363 WeakPolarHBondContact CD1-O 3.48Å; F355-A363 HydrophobicContact CE1-CB 3.8Å; F355-A363 HydrophobicContact CE2-CB 4.19Å; F355-A363 HydrophobicContact CZ-CB 3.59Å; F355-A363 PolarHBondContact N-O 2.78Å; F355-V365 HydrophobicContact CD1-CG1 4.15Å; F355-I375 HydrophobicContact CE1-CB 3.79Å; F355-I375 HydrophobicContact CE1-CG1 4.25Å; F355-I375 HydrophobicContact CE1-CG2 3.59Å; F355-I375 HydrophobicContact CZ-CB 3.99Å; F355-I375 HydrophobicContact CZ-CD1 4.11Å; F355-I375 HydrophobicContact CZ-CG1 3.91Å; F355-I375 HydrophobicContact CZ-CG2 3.9Å; F355-I404 HydrophobicContact CE2-CD1 4.19Å; F355-I404 HydrophobicContact CE2-CG1 4.15Å; F355-I404 HydrophobicContact CE2-CG2 4.24Å; F355-I404 HydrophobicContact CZ-CD1 4.16Å; F355-I404 HydrophobicContact CZ-CG2 4.24Å; F355-A477 HydrophobicContact CB-CB 4.22Å; F355-A477 WeakPolarHBondContact CB-O 3.45Å; F355-L480 HydrophobicContact CB-CB 3.67Å; F355-L480 HydrophobicContact CD1-CB 4.39Å; F355-L480 HydrophobicContact CD1-CD1 3.79Å; F355-L480 HydrophobicContact CD2-CB 3.63Å; F355-L480 HydrophobicContact CD2-CD1 4.12Å; F355-L480 HydrophobicContact CE1-CD1 3.99Å; F355-L480 HydrophobicContact CE2-CB 4.4Å; F355-L480 HydrophobicContact CE2-CD1 4.29Å; F355-L480 HydrophobicContact CG-CB 3.62Å; F355-L480 HydrophobicContact CG-CD1 3.87Å; F355-L480 HydrophobicContact CG-CG 4.42Å; F355-L480 HydrophobicContact CZ-CD1 4.22Å; F355-R481 HydrophobicContact CB-CG 3.96Å; F355-R481 WeakPolarHBondContact O-CG 3.45Å; F355-Y484 AromaticContact CD2-CD2 3.99Å; F355-Y484 HydrophobicContact CD2-CD2 3.99Å; F355-Y484 AromaticContact CD2-CE2 3.77Å; F355-Y484 HydrophobicContact CD2-CE2 3.77Å; F355-Y484 HydrophobicContact CE2-CD2 4.27Å; F355-Y484 AromaticContact CE2-CE2 3.68Å; F355-Y484 HydrophobicContact CE2-CE2 3.68Å; F355-Y485 WeakPolarHBondContact O-CE2 3.39Å
356	Y	98.3	Very high	97.5	Very high	4 Å²	4	33 Å²	33	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	139.5	176.7	-163.8	-82.5	0	0	0	109.2	G332 P334 V354 F362 A363 T400 Q403 I404 Y484	G332-Y356 PolarHBondContact O-OH 2.67Å; P334-Y356 HydrophobicContact CB-CE2 4.07Å; P334-Y356 VanDerWaalsContact CD-OH 3.28Å; P334-Y356 WeakPolarHBondContact CD-OH 3.5Å; V354-Y356 WeakPolarHBondContact CG1-O 3.22Å; Y356-F362 CarbonylContact O-C 3.54Å; Y356-F362 WeakPolarHBondContact O-CA 3.47Å; Y356-A363 PolarHBondContact N-O 2.87Å; Y356-A363 PolarHBondContact O-N 3.35Å; Y356-T400 HydrophobicContact CD1-CG2 3.65Å; Y356-T400 HydrophobicContact CE1-CG2 3.82Å; Y356-Q403 HydrophobicContact CE2-CB 4.39Å; Y356-I404 HydrophobicContact CD2-CG1 4.32Å; Y356-I404 HydrophobicContact CG-CD1 4.32Å; Y356-I404 HydrophobicContact CG-CG1 4.21Å; Y356-Y484 HydrophobicContact CD2-CD1 4.07Å; Y356-Y484 HydrophobicContact CD2-CD2 4.03Å; Y356-Y484 AromaticContact CD2-CG 3.67Å; Y356-Y484 HydrophobicContact CD2-CG 3.67Å; Y356-Y484 HydrophobicContact CE2-CD1 4.02Å; Y356-Y484 AromaticContact CE2-CG 3.97Å; Y356-Y484 HydrophobicContact CE2-CG 3.97Å
357	Q	98.1	Very high	97.5	Very high	16 Å²	16	31.4 Å²	31.4	8%	0.075	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.8	171.4	175.4	174.7	-7.7	0	0	108.5	P334 R335 I337 F342 F362 Y485	P334-Q357 CarbonylContact C-O 3.56Å; P334-Q357 WeakPolarHBondContact CA-O 3.3Å; R335-Q357 HydrophobicContact CB-CG 4.44Å; R335-Q357 PolarHBondContact N-O 3.12Å; I337-Q357 VanDerWaalsContact CA-OE1 3.28Å; I337-Q357 HydrophobicContact CG1-CB 4.01Å; F342-Q357 VanDerWaalsContact CZ-OE1 3.29Å; Q357-F362 HydrophobicContact CB-CB 4.48Å; Q357-Y485 PolarHBondContact N-OH 2.74Å; Q357-Y485 PolarHBondContact O-OH 3.03Å
358	S	97.2	Very high	97.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.			trans	-101.5	-171	163.7	63.3	0	0	0	0	109.7	Y333 L360 S361 D396 T400	Y333-S358 WeakPolarHBondContact O-CA 3.41Å; S358-L360 VanDerWaalsContact C-N 3.35Å; S358-S361 PolarHBondContact N-O 2.81Å; S358-S361 WeakPolarHBondContact OG-CA 3.48Å; S358-S361 WeakPolarHBondContact OG-CB 3.43Å; S358-S361 PolarHBondContact OG-N 3.3Å; S358-S361 PolarHBondContact OG-O 3.49Å; S358-S361 VanDerWaalsContact OG-O 3.07Å; S358-D396 WeakPolarHBondContact CB-OD1 3.34Å; S358-D396 VanDerWaalsContact OG-CG 3.3Å; S358-D396 PolarHBondContact OG-OD1 2.99Å; S358-D396 PolarHBondContact OG-OD2 2.97Å; S358-T400 WeakPolarHBondContact CB-OG1 3.44Å; S358-T400 PolarHBondContact OG-OG1 2.87Å
359	E	94.9	Very high	97.2	Very high	95 Å²	95	24.3 Å²	24.3	44%	0.444	13%	0.126	S	C	.	.	S	Bend	trans	-64.2	-39.5	178.6	-171.2	63.2	-156.6	0	0	112.3	M328 R335 I380	M328-E359 HydrophobicContact CE-CB 3.98Å; M328-E359 HydrophobicContact CE-CG 4.37Å; M328-E359 HydrophobicContact SD-CB 4.33Å; M328-E359 HydrophobicContact SD-CG 4.09Å; R335-E359 IonicContact NE-OE2 3.78Å; R335-E359 PolarHBondContact NE-OE2 2.67Å; E359-I380 WeakPolarHBondContact O-CD1 3.31Å
360	L	97.4	Very high	97	Very high	46 Å²	46	25.5 Å²	25.5	24%	0.241	13%	0.132	C	C	.	.	S	Bend	trans	-120.6	-1.9	-172.9	-59.7	178.6	0	0	0	114.1	M328 S358 P379 I380 A392 Q393 D396	M328-L360 HydrophobicContact CE-CD1 3.55Å; M328-L360 HydrophobicContact CE-CG 3.75Å; M328-L360 HydrophobicContact SD-CD1 3.83Å; M328-L360 HydrophobicContact SD-CG 4.14Å; S358-L360 VanDerWaalsContact C-N 3.35Å; L360-P379 CarbonylContact O-C 3.49Å; L360-P379 VanDerWaalsContact O-CA 3.27Å; L360-P379 WeakPolarHBondContact O-CA 3.35Å; L360-I380 PolarHBondContact O-N 2.8Å; L360-A392 HydrophobicContact CD1-CB 3.94Å; L360-Q393 HydrophobicContact CD1-CG 4.07Å; L360-D396 VanDerWaalsContact C-OD2 3.3Å; L360-D396 WeakPolarHBondContact CA-OD2 3.39Å; L360-D396 HydrophobicContact CB-CB 4.05Å; L360-D396 WeakPolarHBondContact CB-OD2 3.44Å; L360-D396 HydrophobicContact CD1-CB 4.46Å; L360-D396 PolarHBondContact N-OD2 2.59Å
361	S	98.5	Very high	96.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	161.8	-176.5	-48	0	0	0	0	111.8	S358 C378 D396 L397	S358-S361 PolarHBondContact N-O 2.81Å; S358-S361 WeakPolarHBondContact OG-CA 3.48Å; S358-S361 WeakPolarHBondContact OG-CB 3.43Å; S358-S361 PolarHBondContact OG-N 3.3Å; S358-S361 PolarHBondContact OG-O 3.49Å; S358-S361 VanDerWaalsContact OG-O 3.07Å; S361-C378 CarbonylContact C-O 3.59Å; S361-C378 VanDerWaalsContact CA-O 3.26Å; S361-C378 WeakPolarHBondContact CA-O 3.45Å; S361-C378 WeakPolarHBondContact CB-O 3.34Å; S361-D396 WeakPolarHBondContact CB-OD2 3.24Å; S361-D396 PolarHBondContact N-OD2 2.78Å; S361-D396 PolarHBondContact OG-OD2 3.48Å; S361-L397 WeakPolarHBondContact OG-CA 3.25Å; S361-L397 PolarHBondContact OG-N 3.12Å
362	F	98.6	Very high	96.7	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	156.1	175	67.3	-76.1	0	0	0	110.5	F342 V354 Y356 Q357 F364 V377 C378 P379 I380	F342-F362 HydrophobicContact CB-CD2 4.12Å; F342-F362 HydrophobicContact CB-CE1 4.19Å; F342-F362 HydrophobicContact CB-CE2 3.52Å; F342-F362 HydrophobicContact CB-CZ 3.55Å; F342-F362 HydrophobicContact CD1-CB 4.24Å; F342-F362 AromaticContact CD1-CD1 3.8Å; F342-F362 HydrophobicContact CD1-CD1 3.8Å; F342-F362 AromaticContact CD1-CD2 3.82Å; F342-F362 HydrophobicContact CD1-CD2 3.82Å; F342-F362 HydrophobicContact CD1-CE1 4.01Å; F342-F362 HydrophobicContact CD1-CE2 4.05Å; F342-F362 AromaticContact CD1-CG 3.69Å; F342-F362 HydrophobicContact CD1-CG 3.69Å; F342-F362 HydrophobicContact CD1-CZ 4.12Å; F342-F362 HydrophobicContact CE1-CB 4.02Å; F342-F362 HydrophobicContact CE1-CD1 4.33Å; F342-F362 HydrophobicContact CE1-CD2 4.33Å; F342-F362 AromaticContact CE1-CG 3.98Å; F342-F362 HydrophobicContact CE1-CG 3.98Å; F342-F362 AromaticContact CG-CD2 3.97Å; F342-F362 HydrophobicContact CG-CD2 3.97Å; F342-F362 AromaticContact CG-CE2 3.9Å; F342-F362 HydrophobicContact CG-CE2 3.9Å; F342-F362 HydrophobicContact CG-CG 4.31Å; F342-F362 HydrophobicContact CG-CZ 4.17Å; V354-F362 HydrophobicContact CG1-CB 4.2Å; V354-F362 HydrophobicContact CG1-CD2 4.32Å; V354-F362 HydrophobicContact CG2-CD2 3.97Å; V354-F362 HydrophobicContact CG2-CE2 4.46Å; Y356-F362 CarbonylContact O-C 3.54Å; Y356-F362 WeakPolarHBondContact O-CA 3.47Å; Q357-F362 HydrophobicContact CB-CB 4.48Å; F362-F364 AromaticContact CD2-CD1 3.85Å; F362-F364 HydrophobicContact CD2-CD1 3.85Å; F362-F364 HydrophobicContact CD2-CE1 4.48Å; F362-F364 AromaticContact CE2-CD1 3.59Å; F362-F364 HydrophobicContact CE2-CD1 3.59Å; F362-F364 AromaticContact CE2-CE1 3.89Å; F362-F364 HydrophobicContact CE2-CE1 3.89Å; F362-F364 HydrophobicContact CE2-CG 4.45Å; F362-F364 HydrophobicContact CZ-CE1 4.45Å; F362-V377 WeakPolarHBondContact O-CA 2.92Å; F362-C378 WeakPolarHBondContact CD1-O 3.2Å; F362-C378 WeakPolarHBondContact CE1-SG 3.46Å; F362-C378 WeakPolarHBondContact CZ-SG 3.4Å; F362-C378 PolarHBondContact N-O 2.89Å; F362-C378 PolarHBondContact O-N 3.06Å; F362-P379 WeakPolarHBondContact CE1-O 3.48Å; F362-I380 HydrophobicContact CD1-CG1 3.74Å; F362-I380 HydrophobicContact CE1-CG1 4.41Å
363	A	98.7	Very high	96.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.1	177.1	0	0	0	0	0	111.9	V354 F355 Y356 L376 V377 I404	V354-A363 CarbonylContact C-O 3.49Å; V354-A363 WeakPolarHBondContact CA-O 3.13Å; V354-A363 WeakPolarHBondContact CG1-O 3.33Å; F355-A363 WeakPolarHBondContact CD1-O 3.48Å; F355-A363 HydrophobicContact CE1-CB 3.8Å; F355-A363 HydrophobicContact CE2-CB 4.19Å; F355-A363 HydrophobicContact CZ-CB 3.59Å; F355-A363 PolarHBondContact N-O 2.78Å; Y356-A363 PolarHBondContact N-O 2.87Å; Y356-A363 PolarHBondContact O-N 3.35Å; A363-L376 CarbonylContact C-O 3.52Å; A363-L376 WeakPolarHBondContact CA-O 3.36Å; A363-L376 WeakPolarHBondContact CB-O 3.33Å; A363-V377 HydrophobicContact CB-CB 4.43Å; A363-V377 HydrophobicContact CB-CG1 4.38Å; A363-V377 HydrophobicContact CB-CG2 3.92Å; A363-I404 HydrophobicContact CB-CD1 3.23Å
364	F	98.6	Very high	96.5	Very high	7 Å²	7	22 Å²	22	3%	0.031	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.7	-173.2	61.2	-79.3	0	0	0	111	F344 I349 C353 V354 F362 I375 L376 C378	F344-F364 HydrophobicContact CB-CZ 4.2Å; F344-F364 HydrophobicContact CD1-CE2 4.3Å; F344-F364 AromaticContact CD1-CZ 3.87Å; F344-F364 HydrophobicContact CD1-CZ 3.87Å; F344-F364 HydrophobicContact CD2-CZ 4.1Å; F344-F364 HydrophobicContact CE1-CZ 4.25Å; F344-F364 AromaticContact CG-CZ 3.78Å; F344-F364 HydrophobicContact CG-CZ 3.78Å; I349-F364 HydrophobicContact CD1-CD2 3.99Å; I349-F364 HydrophobicContact CD1-CE2 3.67Å; I349-F364 HydrophobicContact CD1-CZ 4.27Å; I349-F364 HydrophobicContact CG1-CD2 4.16Å; I349-F364 HydrophobicContact CG1-CE2 4.01Å; I349-F364 HydrophobicContact CG1-CZ 4.25Å; I349-F364 HydrophobicContact CG2-CB 3.87Å; I349-F364 HydrophobicContact CG2-CD2 3.89Å; I349-F364 HydrophobicContact CG2-CG 3.86Å; C353-F364 WeakPolarHBondContact O-CA 3.28Å; C353-F364 WeakPolarHBondContact O-CB 3.44Å; V354-F364 HydrophobicContact CG2-CB 4.15Å; F362-F364 AromaticContact CD2-CD1 3.85Å; F362-F364 HydrophobicContact CD2-CD1 3.85Å; F362-F364 HydrophobicContact CD2-CE1 4.48Å; F362-F364 AromaticContact CE2-CD1 3.59Å; F362-F364 HydrophobicContact CE2-CD1 3.59Å; F362-F364 AromaticContact CE2-CE1 3.89Å; F362-F364 HydrophobicContact CE2-CE1 3.89Å; F362-F364 HydrophobicContact CE2-CG 4.45Å; F362-F364 HydrophobicContact CZ-CE1 4.45Å; F364-I375 WeakPolarHBondContact O-CB 3.26Å; F364-L376 HydrophobicContact CD1-CB 4.34Å; F364-L376 HydrophobicContact CE1-CB 3.75Å; F364-L376 HydrophobicContact CE2-CB 4.09Å; F364-L376 HydrophobicContact CE2-CD1 3.8Å; F364-L376 HydrophobicContact CE2-CG 4.38Å; F364-L376 HydrophobicContact CZ-CB 3.62Å; F364-L376 HydrophobicContact CZ-CD1 3.64Å; F364-L376 HydrophobicContact CZ-CG 4.21Å; F364-L376 PolarHBondContact N-O 3.15Å; F364-L376 PolarHBondContact O-N 2.84Å; F364-C378 VanDerWaalsContact CE1-SG 3.6Å
365	V	98	Very high	96.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	142.4	-178.9	-61.3	0	0	0	0	110.8	C353 F355 M473 E476 A477 L480	C353-V365 HydrophobicContact CB-CG2 4.37Å; C353-V365 PolarHBondContact O-N 3.2Å; F355-V365 HydrophobicContact CD1-CG1 4.15Å; V365-M473 HydrophobicContact CG2-CB 3.69Å; V365-M473 HydrophobicContact CG2-CE 3.97Å; V365-M473 HydrophobicContact CG2-CG 4.14Å; V365-M473 WeakPolarHBondContact CG2-O 3.16Å; V365-E476 HydrophobicContact CG1-CB 4.2Å; V365-E476 HydrophobicContact CG1-CG 3.86Å; V365-A477 HydrophobicContact CG1-CB 4.11Å; V365-A477 HydrophobicContact CG2-CB 4.49Å; V365-L480 HydrophobicContact CG1-CD1 3.92Å
366	N	96.1	Very high	96.5	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.037	12%	0.123	C	C	.	.			trans	-75.1	138	-176.3	-167.8	-61.1	0	0	0	111.4	S368 P369 H374 R468	N366-S368 PolarHBondContact O-N 3.12Å; N366-S368 PolarHBondContact OD1-N 3.33Å; N366-S368 PolarHBondContact OD1-O 3.15Å; N366-P369 HydrophobicContact CB-CB 4.4Å; N366-H374 WeakPolarHBondContact CB-O 3.39Å; N366-H374 PolarHBondContact N-O 2.91Å; N366-H374 PolarHBondContact ND2-CE1 3.43Å; N366-H374 PolarHBondContact ND2-NE2 3.01Å; N366-R468 PolarHBondContact O-NE 3.02Å; N366-R468 PolarHBondContact O-NH2 3.44Å
367	I	94.6	Very high	96.5	Very high	78 Å²	78	22.1 Å²	22.1	40%	0.4	12%	0.122	S	C	.	.	S	Bend	trans	-67.5	-21.1	179.3	-164.5	173.6	0	0	0	113.6	Y467 R468 M473	I367-Y467 HydrophobicContact CB-CD1 4.42Å; I367-Y467 HydrophobicContact CD1-CD1 3.68Å; I367-Y467 HydrophobicContact CD1-CE1 4.37Å; I367-Y467 HydrophobicContact CD1-CG 4Å; I367-Y467 HydrophobicContact CG1-CD1 3.73Å; I367-Y467 HydrophobicContact CG1-CG 4.2Å; I367-Y467 HydrophobicContact CG2-CD1 3.95Å; I367-Y467 HydrophobicContact CG2-CE1 4.21Å; I367-R468 WeakPolarHBondContact O-CG 3.02Å; I367-R468 PolarHBondContact O-N 3.47Å; I367-M473 HydrophobicContact CB-CE 4.07Å; I367-M473 HydrophobicContact CB-SD 4.18Å; I367-M473 HydrophobicContact CG1-CE 4.32Å; I367-M473 HydrophobicContact CG1-SD 3.85Å
368	S	92.3	Very high	96.5	Very high	21 Å²	21	21.4 Å²	21.4	15%	0.147	12%	0.118	C	C	.	.	S	Bend	trans	-148.2	73.7	-179.4	164.8	0	0	0	0	109	N366 R465	N366-S368 PolarHBondContact O-N 3.12Å; N366-S368 PolarHBondContact OD1-N 3.33Å; N366-S368 PolarHBondContact OD1-O 3.15Å; S368-R465 VanDerWaalsContact CB-NE 3.27Å; S368-R465 PolarHBondContact OG-NE 2.8Å; S368-R465 PolarHBondContact OG-NH2 3.5Å; S368-R465 VanDerWaalsContact OG-NH2 3.14Å
369	P	94.1	Very high	96.6	Very high	39 Å²	39	21.4 Å²	21.4	25%	0.253	12%	0.118	S	C	.	.			trans	-64.5	145	-175.3	29	-36.1	0	0	0	111.6	N366 V371 H374 R468	N366-P369 HydrophobicContact CB-CB 4.4Å; P369-V371 WeakPolarHBondContact CB-O 3.43Å; P369-H374 HydrophobicContact CB-CB 3.7Å; P369-R468 VanDerWaalsContact CD-NE 3.32Å
370	L	93.1	Very high	96.7	Very high	49 Å²	49	19.7 Å²	19.7	26%	0.257	11%	0.112	S	C	.	.	S	Bend	trans	-84.6	-31.4	176.4	-78.8	177.4	0	0	0	111.5	H374 L439 I452 A455 L456 H459	L370-H374 PolarHBondContact N-ND1 3.39Å; L370-L439 HydrophobicContact CB-CD2 4.18Å; L370-L439 HydrophobicContact CD1-CD2 4.28Å; L370-I452 HydrophobicContact CB-CD1 4.3Å; L370-I452 HydrophobicContact CD1-CD1 4.07Å; L370-A455 HydrophobicContact CD1-CB 4.13Å; L370-A455 HydrophobicContact CD2-CB 4.04Å; L370-L456 HydrophobicContact CD1-CB 4.29Å; L370-L456 HydrophobicContact CD1-CD2 3.49Å; L370-L456 VanDerWaalsContact CD1-CD2 3.49Å; L370-L456 HydrophobicContact CD1-CG 3.59Å; L370-H459 HydrophobicContact CD1-CB 4.31Å; L370-H459 HydrophobicContact CD2-CB 3.67Å; L370-H459 HydrophobicContact CG-CB 4.17Å
371	V	94.9	Very high	96.7	Very high	12 Å²	12	19.4 Å²	19.4	7%	0.073	12%	0.116	C	C	.	.	S	Bend	trans	-135.8	152.7	174.4	-64.5	0	0	0	0	108.1	P369 G373 H374 L439 P440 F446	P369-V371 WeakPolarHBondContact CB-O 3.43Å; V371-G373 PolarHBondContact O-N 3.05Å; V371-H374 HydrophobicContact CG2-CB 4.21Å; V371-H374 VanDerWaalsContact O-CB 3.31Å; V371-H374 WeakPolarHBondContact O-CB 3.22Å; V371-H374 PolarHBondContact O-N 3.46Å; V371-L439 HydrophobicContact CG2-CB 3.84Å; V371-L439 HydrophobicContact CG2-CD2 4.3Å; V371-P440 WeakPolarHBondContact CG2-O 3.21Å; V371-F446 HydrophobicContact CG1-CE2 3.79Å; V371-F446 HydrophobicContact CG1-CZ 4.44Å
372	P	94.6	Very high	96.5	Very high	86 Å²	86	22.8 Å²	22.8	56%	0.558	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	130.4	171.5	-26.8	35.8	0	0	0	111.4	F412	P372-F412 HydrophobicContact CB-CD1 3.84Å; P372-F412 HydrophobicContact CB-CE1 4.4Å
373	G	95.6	Very high	96.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	10.2	-176.8	0	0	0	0	0	115.7	V371 I375 P440	V371-G373 PolarHBondContact O-N 3.05Å; G373-I375 PolarHBondContact O-N 3.24Å; G373-I375 VanDerWaalsContact O-N 3.11Å; G373-P440 VanDerWaalsContact C-CD 3.42Å; G373-P440 WeakPolarHBondContact O-CD 3.41Å
374	H	97	Very high	96.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.169	C	C	.	.			trans	-61	113.6	167	176.3	-169	0	0	0	109.5	N366 P369 L370 V371 H437 L439	N366-H374 WeakPolarHBondContact CB-O 3.39Å; N366-H374 PolarHBondContact N-O 2.91Å; N366-H374 PolarHBondContact ND2-CE1 3.43Å; N366-H374 PolarHBondContact ND2-NE2 3.01Å; P369-H374 HydrophobicContact CB-CB 3.7Å; L370-H374 PolarHBondContact N-ND1 3.39Å; V371-H374 HydrophobicContact CG2-CB 4.21Å; V371-H374 VanDerWaalsContact O-CB 3.31Å; V371-H374 WeakPolarHBondContact O-CB 3.22Å; V371-H374 PolarHBondContact O-N 3.46Å; H374-H437 AromaticContact CE1-ND1 3.46Å; H374-H437 PolarHBondContact CE1-ND1 3.09Å; H374-H437 AromaticContact NE2-CE1 3.89Å; H374-H437 AromaticContact NE2-CG 3.77Å; H374-H437 AromaticContact NE2-ND1 2.89Å; H374-H437 PolarHBondContact NE2-ND1 3.03Å; H374-L439 HydrophobicContact CB-CD2 4.4Å; H374-L439 HydrophobicContact CB-CG 4.39Å
375	I	98.1	Very high	96.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	165.1	177.8	64.4	83.7	0	0	0	111	F355 F364 G373 V377 I404 L408 V438 L480	F355-I375 HydrophobicContact CE1-CB 3.79Å; F355-I375 HydrophobicContact CE1-CG1 4.25Å; F355-I375 HydrophobicContact CE1-CG2 3.59Å; F355-I375 HydrophobicContact CZ-CB 3.99Å; F355-I375 HydrophobicContact CZ-CD1 4.11Å; F355-I375 HydrophobicContact CZ-CG1 3.91Å; F355-I375 HydrophobicContact CZ-CG2 3.9Å; F364-I375 WeakPolarHBondContact O-CB 3.26Å; G373-I375 PolarHBondContact O-N 3.24Å; G373-I375 VanDerWaalsContact O-N 3.11Å; I375-V377 HydrophobicContact CD1-CG2 3.56Å; I375-I404 HydrophobicContact CD1-CG2 4.15Å; I375-I404 HydrophobicContact CG1-CG2 4.38Å; I375-L408 HydrophobicContact CG1-CD2 3.87Å; I375-V438 HydrophobicContact CD1-CB 3.58Å; I375-V438 HydrophobicContact CD1-CG1 4.48Å; I375-V438 HydrophobicContact CD1-CG2 3.78Å; I375-V438 HydrophobicContact CG1-CB 3.96Å; I375-V438 PolarHBondContact N-O 3.41Å; I375-V438 PolarHBondContact O-N 2.92Å; I375-L480 HydrophobicContact CG2-CD1 4.12Å
376	L	98.4	Very high	96.4	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142.7	171.3	-60.3	-178.8	0	0	0	109.6	F344 A363 F364 V436 H437	F344-L376 HydrophobicContact CE1-CD1 3.94Å; F344-L376 HydrophobicContact CZ-CD1 3.97Å; A363-L376 CarbonylContact C-O 3.52Å; A363-L376 WeakPolarHBondContact CA-O 3.36Å; A363-L376 WeakPolarHBondContact CB-O 3.33Å; F364-L376 HydrophobicContact CD1-CB 4.34Å; F364-L376 HydrophobicContact CE1-CB 3.75Å; F364-L376 HydrophobicContact CE2-CB 4.09Å; F364-L376 HydrophobicContact CE2-CD1 3.8Å; F364-L376 HydrophobicContact CE2-CG 4.38Å; F364-L376 HydrophobicContact CZ-CB 3.62Å; F364-L376 HydrophobicContact CZ-CD1 3.64Å; F364-L376 HydrophobicContact CZ-CG 4.21Å; F364-L376 PolarHBondContact N-O 3.15Å; F364-L376 PolarHBondContact O-N 2.84Å; L376-V436 WeakPolarHBondContact CA-O 3.27Å; L376-H437 HydrophobicContact CD2-CB 4.29Å; L376-H437 VanDerWaalsContact CD2-ND1 3.33Å; L376-H437 WeakPolarHBondContact CD2-ND1 3.46Å
377	V	98.7	Very high	96.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.4	168.3	-167.6	0	0	0	0	108.2	F362 A363 I375 L397 T400 V401 I404 H435 V436 V438	F362-V377 WeakPolarHBondContact O-CA 2.92Å; A363-V377 HydrophobicContact CB-CB 4.43Å; A363-V377 HydrophobicContact CB-CG1 4.38Å; A363-V377 HydrophobicContact CB-CG2 3.92Å; I375-V377 HydrophobicContact CD1-CG2 3.56Å; V377-L397 HydrophobicContact CB-CD1 4.36Å; V377-L397 HydrophobicContact CG1-CD1 3.88Å; V377-T400 HydrophobicContact CG1-CG2 3.57Å; V377-V401 HydrophobicContact CB-CG2 3.9Å; V377-V401 HydrophobicContact CG1-CG2 4.11Å; V377-V401 HydrophobicContact CG2-CG2 3.84Å; V377-I404 HydrophobicContact CG2-CD1 3.68Å; V377-H435 CarbonylContact O-C 3.42Å; V377-H435 VanDerWaalsContact O-CA 3.31Å; V377-H435 WeakPolarHBondContact O-CA 3.47Å; V377-V436 HydrophobicContact CB-CB 4.47Å; V377-V436 PolarHBondContact N-O 2.84Å; V377-V436 PolarHBondContact O-N 3.3Å; V377-V438 HydrophobicContact CG2-CG2 4.08Å
378	C	97.9	Very high	96.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	156.3	178.4	62.2	0	0	0	0	111.7	S361 F362 F364 V434 H435	S361-C378 CarbonylContact C-O 3.59Å; S361-C378 VanDerWaalsContact CA-O 3.26Å; S361-C378 WeakPolarHBondContact CA-O 3.45Å; S361-C378 WeakPolarHBondContact CB-O 3.34Å; F362-C378 WeakPolarHBondContact CD1-O 3.2Å; F362-C378 WeakPolarHBondContact CE1-SG 3.46Å; F362-C378 WeakPolarHBondContact CZ-SG 3.4Å; F362-C378 PolarHBondContact N-O 2.89Å; F362-C378 PolarHBondContact O-N 3.06Å; F364-C378 VanDerWaalsContact CE1-SG 3.6Å; C378-V434 VanDerWaalsContact CB-O 3.24Å; C378-V434 WeakPolarHBondContact CB-O 3.14Å; C378-H435 HydrophobicContact CB-CB 3.93Å
379	P	98.3	Very high	96.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	150.2	171.2	27.1	-28.7	0	0	0	110.5	L360 F362 A381 L389 H433 V434	L360-P379 CarbonylContact O-C 3.49Å; L360-P379 VanDerWaalsContact O-CA 3.27Å; L360-P379 WeakPolarHBondContact O-CA 3.35Å; F362-P379 WeakPolarHBondContact CE1-O 3.48Å; P379-A381 VanDerWaalsContact C-N 3.28Å; P379-L389 HydrophobicContact CB-CD2 4.23Å; P379-L389 HydrophobicContact CG-CD2 3.87Å; P379-H433 PolarHBondContact O-CE1 3.05Å; P379-H433 PolarHBondContact O-NE2 3.24Å; P379-V434 WeakPolarHBondContact CD-O 3Å; P379-V434 HydrophobicContact CG-CB 4.3Å
380	I	97.8	Very high	96.9	Very high	59 Å²	59	43.1 Å²	43.1	30%	0.303	24%	0.236	S	C	.	.	S	Bend	trans	-65.2	-37.2	173.4	-68.3	168.9	0	0	0	110.1	E359 L360 F362 S382	E359-I380 WeakPolarHBondContact O-CD1 3.31Å; L360-I380 PolarHBondContact O-N 2.8Å; F362-I380 HydrophobicContact CD1-CG1 3.74Å; F362-I380 HydrophobicContact CE1-CG1 4.41Å; I380-S382 PolarHBondContact O-N 3.22Å
381	A	96.1	Very high	97	Very high	41 Å²	41	45.3 Å²	45.3	34%	0.339	25%	0.248	S	C	.	.	S	Bend	trans	-73.8	123.9	174.9	0	0	0	0	0	110.5	P379 V383 H433	P379-A381 VanDerWaalsContact C-N 3.28Å; A381-V383 HydrophobicContact CB-CG2 4.21Å; A381-V383 PolarHBondContact O-N 2.94Å; A381-H433 PolarHBondContact O-NE2 3.37Å; A381-H433 VanDerWaalsContact O-NE2 3.12Å
382	S	96	Very high	97.1	Very high	71 Å²	71	44.8 Å²	44.8	50%	0.497	24%	0.244	S	C	.	.			trans	-69.9	90.4	178	-175.2	0	0	0	0	111.4	I380	I380-S382 PolarHBondContact O-N 3.22Å
383	V	96.6	Very high	97.3	Very high	21 Å²	21	41.8 Å²	41.8	13%	0.127	22%	0.223	C	C	.	.			trans	-113.1	132.1	179.9	177	0	0	0	0	109.2	A381 R385 Q388 L389 H433 V434	A381-V383 HydrophobicContact CB-CG2 4.21Å; A381-V383 PolarHBondContact O-N 2.94Å; V383-R385 WeakPolarHBondContact CG1-O 3.29Å; V383-Q388 HydrophobicContact CG1-CB 3.38Å; V383-Q388 HydrophobicContact CG1-CG 4.48Å; V383-L389 HydrophobicContact CB-CD2 3.7Å; V383-L389 HydrophobicContact CG1-CD2 3.79Å; V383-L389 HydrophobicContact CG1-CG 4.24Å; V383-L389 HydrophobicContact CG2-CD2 3.84Å; V383-H433 CarbonylContact O-C 3.55Å; V383-H433 VanDerWaalsContact O-CA 3.26Å; V383-H433 WeakPolarHBondContact O-CA 3.12Å; V383-H433 PolarHBondContact O-CD2 2.92Å; V383-V434 HydrophobicContact CG1-CG2 4.43Å; V383-V434 WeakPolarHBondContact O-CG2 3.43Å; V383-V434 PolarHBondContact O-N 3.44Å
384	Q	97.6	Very high	97.4	Very high	106 Å²	106	43.6 Å²	43.6	50%	0.495	23%	0.234	S	C	.	.	S	Bend	trans	-80	-43.3	-171.5	-62.2	-177.4	0.5	0	0	112.7	Q429 S432	Q384-Q429 PolarHBondContact O-NE2 2.87Å; Q384-Q429 PolarHBondContact O-OE1 3.33Å; Q384-S432 VanDerWaalsContact CG-OG 3.29Å; Q384-S432 WeakPolarHBondContact CG-OG 3.34Å
385	R	97.9	Very high	97.4	Very high	100 Å²	100	44.8 Å²	44.8	38%	0.377	24%	0.244	S	C	.	.	S	Bend	trans	-116.9	143.2	-173	-60.4	-61.8	-57.3	-86.1	-1.8	111.9	V383 C387 Q388 D423	V383-R385 WeakPolarHBondContact CG1-O 3.29Å; R385-C387 VanDerWaalsContact C-N 3.27Å; R385-C387 PolarHBondContact O-N 3.43Å; R385-Q388 HydrophobicContact CB-CG 4.08Å; R385-Q388 WeakPolarHBondContact O-CB 3.42Å; R385-Q388 PolarHBondContact O-N 2.83Å; R385-D423 WeakPolarHBondContact CA-OD1 3.21Å; R385-D423 IonicContact CZ-OD1 3.89Å; R385-D423 IonicContact CZ-OD2 3.38Å; R385-D423 VanDerWaalsContact NE-CG 3.26Å; R385-D423 IonicContact NE-OD1 2.91Å; R385-D423 PolarHBondContact NE-OD1 2.62Å; R385-D423 IonicContact NE-OD2 3.16Å; R385-D423 PolarHBondContact NE-OD2 3.06Å; R385-D423 VanDerWaalsContact NE-OD2 3.16Å; R385-D423 PolarHBondContact NH2-O 3.21Å; R385-D423 IonicContact NH2-OD1 3.97Å; R385-D423 IonicContact NH2-OD2 2.75Å; R385-D423 PolarHBondContact NH2-OD2 2.95Å
386	F	97.8	Very high	97.4	Very high	67 Å²	67	44.8 Å²	44.8	29%	0.294	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-56.6	-40.8	-177.4	-179.6	-106.8	0	0	0	112.7	Q388 L389 V394 Y398 M421 D423 V434	F386-Q388 PolarHBondContact O-N 3.44Å; F386-Q388 VanDerWaalsContact O-N 3.13Å; F386-L389 HydrophobicContact CD2-CD1 3.99Å; F386-L389 HydrophobicContact CE2-CD1 4.27Å; F386-L389 WeakPolarHBondContact O-CB 3.26Å; F386-L389 PolarHBondContact O-N 2.91Å; F386-L389 VanDerWaalsContact O-N 3.08Å; F386-V394 HydrophobicContact CE2-CG1 4.25Å; F386-V394 HydrophobicContact CE2-CG2 4.16Å; F386-V394 HydrophobicContact CZ-CG1 3.82Å; F386-V394 HydrophobicContact CZ-CG2 4.08Å; F386-Y398 AromaticContact CE2-CE2 3.86Å; F386-Y398 HydrophobicContact CE2-CE2 3.86Å; F386-Y398 HydrophobicContact CZ-CE2 4.22Å; F386-M421 HydrophobicContact CB-SD 3.94Å; F386-M421 HydrophobicContact CD2-CE 3.74Å; F386-M421 HydrophobicContact CD2-SD 3.62Å; F386-M421 HydrophobicContact CE2-CE 4.12Å; F386-M421 HydrophobicContact CE2-SD 4.43Å; F386-M421 HydrophobicContact CG-SD 3.97Å; F386-D423 HydrophobicContact CB-CB 4.46Å; F386-D423 PolarHBondContact N-OD1 2.75Å; F386-V434 HydrophobicContact CD2-CG1 4.38Å
387	C	96.8	Very high	97.5	Very high	106 Å²	106	44.4 Å²	44.4	72%	0.716	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-66.6	-11.6	179.3	64.2	0	0	0	0	114.7	R385	R385-C387 VanDerWaalsContact C-N 3.27Å; R385-C387 PolarHBondContact O-N 3.43Å
388	Q	97.6	Very high	97.4	Very high	110 Å²	110	49.1 Å²	49.1	51%	0.514	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-87.9	-10.8	176	-63.3	171.9	-41	0	0	112.2	V383 R385 F386	V383-Q388 HydrophobicContact CG1-CB 3.38Å; V383-Q388 HydrophobicContact CG1-CG 4.48Å; R385-Q388 HydrophobicContact CB-CG 4.08Å; R385-Q388 WeakPolarHBondContact O-CB 3.42Å; R385-Q388 PolarHBondContact O-N 2.83Å; F386-Q388 PolarHBondContact O-N 3.44Å; F386-Q388 VanDerWaalsContact O-N 3.13Å
389	L	97.5	Very high	97.4	Very high	15 Å²	15	52.8 Å²	52.8	8%	0.079	28%	0.278	C	S	.	.	S	Bend	trans	-72.3	137	172.2	-62.5	179.1	0	0	0	110.1	P379 V383 F386 Q393 V394 L397 V434	P379-L389 HydrophobicContact CB-CD2 4.23Å; P379-L389 HydrophobicContact CG-CD2 3.87Å; V383-L389 HydrophobicContact CB-CD2 3.7Å; V383-L389 HydrophobicContact CG1-CD2 3.79Å; V383-L389 HydrophobicContact CG1-CG 4.24Å; V383-L389 HydrophobicContact CG2-CD2 3.84Å; F386-L389 HydrophobicContact CD2-CD1 3.99Å; F386-L389 HydrophobicContact CE2-CD1 4.27Å; F386-L389 WeakPolarHBondContact O-CB 3.26Å; F386-L389 PolarHBondContact O-N 2.91Å; F386-L389 VanDerWaalsContact O-N 3.08Å; L389-Q393 HydrophobicContact CB-CB 4.01Å; L389-Q393 HydrophobicContact CD2-CB 4.03Å; L389-Q393 HydrophobicContact CG-CB 4.48Å; L389-V394 HydrophobicContact CB-CG2 3.64Å; L389-V394 HydrophobicContact CD1-CG2 4.34Å; L389-L397 HydrophobicContact CD1-CD2 4.05Å; L389-V434 HydrophobicContact CD1-CB 4.39Å; L389-V434 HydrophobicContact CD1-CG1 3.91Å; L389-V434 HydrophobicContact CD1-CG2 4.38Å; L389-V434 HydrophobicContact CG-CG2 4.44Å
390	N	96.4	Very high	97.4	Very high	54 Å²	54	52.8 Å²	52.8	29%	0.289	28%	0.278	S	S	.	.			trans	-77.2	171.6	171	73.6	37.3	0	0	0	111.7	D324 A392 Q393 V394	D324-N390 HydrophobicContact CB-CB 4.2Å; N390-A392 PolarHBondContact O-N 3.31Å; N390-A392 PolarHBondContact OD1-N 3.29Å; N390-A392 VanDerWaalsContact OD1-N 3.15Å; N390-Q393 PolarHBondContact ND2-OE1 3.43Å; N390-Q393 PolarHBondContact O-N 3.34Å; N390-Q393 VanDerWaalsContact O-N 3.12Å; N390-Q393 WeakPolarHBondContact OD1-CG 3.46Å; N390-Q393 PolarHBondContact OD1-N 2.89Å; N390-V394 WeakPolarHBondContact O-CG2 3.42Å; N390-V394 PolarHBondContact O-N 2.64Å
391	L	96.2	Very high	97.5	Very high	96 Å²	96	50.2 Å²	50.2	50%	0.503	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-36.9	-173	-69.4	176.5	0	0	0	113.8	D324 L325 A395	D324-L391 PolarHBondContact O-N 3.47Å; L325-L391 WeakPolarHBondContact O-CD1 3.48Å; L391-A395 VanDerWaalsContact O-CB 3.31Å; L391-A395 WeakPolarHBondContact O-CB 3.45Å; L391-A395 PolarHBondContact O-N 2.89Å
392	A	96.7	Very high	97.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.6	-39.7	173.8	0	0	0	0	0	112.6	F323 M328 L360 N390 A395 D396	F323-A392 HydrophobicContact CB-CB 3.67Å; F323-A392 WeakPolarHBondContact O-CB 3.44Å; F323-A392 PolarHBondContact O-N 3.22Å; F323-A392 VanDerWaalsContact O-N 3.07Å; M328-A392 HydrophobicContact CG-CB 4.01Å; L360-A392 HydrophobicContact CD1-CB 3.94Å; N390-A392 PolarHBondContact O-N 3.31Å; N390-A392 PolarHBondContact OD1-N 3.29Å; N390-A392 VanDerWaalsContact OD1-N 3.15Å; A392-A395 PolarHBondContact O-N 2.93Å; A392-D396 WeakPolarHBondContact O-CB 3.37Å; A392-D396 PolarHBondContact O-N 3.11Å
393	Q	97.9	Very high	97.5	Very high	24 Å²	24	52 Å²	52	11%	0.112	25%	0.254	C	S	.	.	H	α-helix	trans	-65.3	-42.3	177.1	-70.9	172.1	-44.5	0	0	111.7	L360 L389 N390 L397	L360-Q393 HydrophobicContact CD1-CG 4.07Å; L389-Q393 HydrophobicContact CB-CB 4.01Å; L389-Q393 HydrophobicContact CD2-CB 4.03Å; L389-Q393 HydrophobicContact CG-CB 4.48Å; N390-Q393 PolarHBondContact ND2-OE1 3.43Å; N390-Q393 PolarHBondContact O-N 3.34Å; N390-Q393 VanDerWaalsContact O-N 3.12Å; N390-Q393 WeakPolarHBondContact OD1-CG 3.46Å; N390-Q393 PolarHBondContact OD1-N 2.89Å; Q393-L397 WeakPolarHBondContact O-CB 3.17Å; Q393-L397 PolarHBondContact O-N 3.09Å
394	V	97.9	Very high	97.5	Very high	38 Å²	38	51 Å²	51	23%	0.23	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-48.9	175.2	172.6	0	0	0	0	110.7	F386 L389 N390 Y398	F386-V394 HydrophobicContact CE2-CG1 4.25Å; F386-V394 HydrophobicContact CE2-CG2 4.16Å; F386-V394 HydrophobicContact CZ-CG1 3.82Å; F386-V394 HydrophobicContact CZ-CG2 4.08Å; L389-V394 HydrophobicContact CB-CG2 3.64Å; L389-V394 HydrophobicContact CD1-CG2 4.34Å; N390-V394 WeakPolarHBondContact O-CG2 3.42Å; N390-V394 PolarHBondContact O-N 2.64Å; V394-Y398 PolarHBondContact O-N 3.25Å
395	A	97.9	Very high	97.5	Very high	24 Å²	24	47.2 Å²	47.2	20%	0.198	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-48	179.6	0	0	0	0	0	111.5	P327 L391 A392 L397 Y398 M399	P327-A395 HydrophobicContact CB-CB 3.76Å; P327-A395 HydrophobicContact CG-CB 4.08Å; L391-A395 VanDerWaalsContact O-CB 3.31Å; L391-A395 WeakPolarHBondContact O-CB 3.45Å; L391-A395 PolarHBondContact O-N 2.89Å; A392-A395 PolarHBondContact O-N 2.93Å; A395-L397 PolarHBondContact O-N 3.42Å; A395-Y398 PolarHBondContact O-N 2.86Å; A395-M399 WeakPolarHBondContact O-CB 3.43Å; A395-M399 WeakPolarHBondContact O-CG 3.44Å; A395-M399 PolarHBondContact O-N 2.8Å
396	D	98.3	Very high	97.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-40.7	-179.4	-174	83.2	0	0	0	112.4	M328 G332 S358 L360 S361 A392 T400	M328-D396 HydrophobicContact CE-CB 3.93Å; G332-D396 PolarHBondContact N-OD1 3.46Å; S358-D396 WeakPolarHBondContact CB-OD1 3.34Å; S358-D396 VanDerWaalsContact OG-CG 3.3Å; S358-D396 PolarHBondContact OG-OD1 2.99Å; S358-D396 PolarHBondContact OG-OD2 2.97Å; L360-D396 VanDerWaalsContact C-OD2 3.3Å; L360-D396 WeakPolarHBondContact CA-OD2 3.39Å; L360-D396 HydrophobicContact CB-CB 4.05Å; L360-D396 WeakPolarHBondContact CB-OD2 3.44Å; L360-D396 HydrophobicContact CD1-CB 4.46Å; L360-D396 PolarHBondContact N-OD2 2.59Å; S361-D396 WeakPolarHBondContact CB-OD2 3.24Å; S361-D396 PolarHBondContact N-OD2 2.78Å; S361-D396 PolarHBondContact OG-OD2 3.48Å; A392-D396 WeakPolarHBondContact O-CB 3.37Å; A392-D396 PolarHBondContact O-N 3.11Å; D396-T400 VanDerWaalsContact O-CB 3.26Å; D396-T400 WeakPolarHBondContact O-CB 3.44Å; D396-T400 PolarHBondContact O-N 3Å; D396-T400 PolarHBondContact O-OG1 2.78Å
397	L	98.6	Very high	97	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.6	-53.4	176.4	178	62.6	0	0	0	111.6	S361 V377 L389 Q393 A395 T400 V401 M421 V434 V436	S361-L397 WeakPolarHBondContact OG-CA 3.25Å; S361-L397 PolarHBondContact OG-N 3.12Å; V377-L397 HydrophobicContact CB-CD1 4.36Å; V377-L397 HydrophobicContact CG1-CD1 3.88Å; L389-L397 HydrophobicContact CD1-CD2 4.05Å; Q393-L397 WeakPolarHBondContact O-CB 3.17Å; Q393-L397 PolarHBondContact O-N 3.09Å; A395-L397 PolarHBondContact O-N 3.42Å; L397-T400 WeakPolarHBondContact O-CB 3.44Å; L397-T400 PolarHBondContact O-N 3.45Å; L397-V401 WeakPolarHBondContact O-CG2 3.28Å; L397-V401 PolarHBondContact O-N 2.99Å; L397-M421 HydrophobicContact CD2-CE 3.91Å; L397-V434 HydrophobicContact CD2-CG1 3.92Å; L397-V436 HydrophobicContact CD1-CG2 4.23Å; L397-V436 HydrophobicContact CD2-CG2 4.09Å; L397-V436 HydrophobicContact CG-CG2 4.16Å
398	Y	98.3	Very high	96.9	Very high	99 Å²	99	43.4 Å²	43.4	39%	0.388	21%	0.207	S	C	.	.	H	α-helix	trans	-77.6	-28.8	-176.7	-86.3	-80.4	0	0	0	113.6	F386 V394 A395 T400 V401 R402 M421	F386-Y398 AromaticContact CE2-CE2 3.86Å; F386-Y398 HydrophobicContact CE2-CE2 3.86Å; F386-Y398 HydrophobicContact CZ-CE2 4.22Å; V394-Y398 PolarHBondContact O-N 3.25Å; A395-Y398 PolarHBondContact O-N 2.86Å; Y398-T400 VanDerWaalsContact C-N 3.32Å; Y398-V401 PolarHBondContact O-N 2.95Å; Y398-R402 PolarHBondContact O-N 3.36Å; Y398-M421 HydrophobicContact CE2-CE 4.18Å
399	M	97.9	Very high	96.7	Very high	77 Å²	77	39 Å²	39	38%	0.379	19%	0.189	S	C	.	.	H	α-helix	trans	-64.3	-40.7	168.5	-71.3	-58.2	-63.5	0	0	110.5	S331 A395 V401 R402 Q403	S331-M399 VanDerWaalsContact O-CB 3.24Å; S331-M399 WeakPolarHBondContact O-CB 3.44Å; A395-M399 WeakPolarHBondContact O-CB 3.43Å; A395-M399 WeakPolarHBondContact O-CG 3.44Å; A395-M399 PolarHBondContact O-N 2.8Å; M399-V401 PolarHBondContact O-N 3.02Å; M399-R402 WeakPolarHBondContact O-CB 3.36Å; M399-R402 PolarHBondContact O-N 3.33Å; M399-Q403 WeakPolarHBondContact O-CG 3.18Å; M399-Q403 PolarHBondContact O-N 3.44Å
400	T	98.4	Very high	96.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-45.1	173.3	-59.3	0	0	0	0	111.5	G332 Y356 S358 V377 D396 L397 Y398 R402 Q403 I404	G332-T400 WeakPolarHBondContact CA-OG1 3.46Å; Y356-T400 HydrophobicContact CD1-CG2 3.65Å; Y356-T400 HydrophobicContact CE1-CG2 3.82Å; S358-T400 WeakPolarHBondContact CB-OG1 3.44Å; S358-T400 PolarHBondContact OG-OG1 2.87Å; V377-T400 HydrophobicContact CG1-CG2 3.57Å; D396-T400 VanDerWaalsContact O-CB 3.26Å; D396-T400 WeakPolarHBondContact O-CB 3.44Å; D396-T400 PolarHBondContact O-N 3Å; D396-T400 PolarHBondContact O-OG1 2.78Å; L397-T400 WeakPolarHBondContact O-CB 3.44Å; L397-T400 PolarHBondContact O-N 3.45Å; Y398-T400 VanDerWaalsContact C-N 3.32Å; T400-R402 VanDerWaalsContact C-N 3.34Å; T400-R402 PolarHBondContact O-N 2.86Å; T400-Q403 PolarHBondContact O-N 3.16Å; T400-I404 HydrophobicContact CG2-CD1 3.86Å; T400-I404 WeakPolarHBondContact O-CG1 3.48Å; T400-I404 PolarHBondContact O-N 3.26Å
401	V	98.6	Very high	96	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.03	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-44.8	174.2	172.7	0	0	0	0	111.1	V377 L397 Y398 M399 I404 A405 I419 V436 V438	V377-V401 HydrophobicContact CB-CG2 3.9Å; V377-V401 HydrophobicContact CG1-CG2 4.11Å; V377-V401 HydrophobicContact CG2-CG2 3.84Å; L397-V401 WeakPolarHBondContact O-CG2 3.28Å; L397-V401 PolarHBondContact O-N 2.99Å; Y398-V401 PolarHBondContact O-N 2.95Å; M399-V401 PolarHBondContact O-N 3.02Å; V401-I404 PolarHBondContact O-N 3.33Å; V401-A405 WeakPolarHBondContact O-CB 3.41Å; V401-A405 PolarHBondContact O-N 3.19Å; V401-I419 HydrophobicContact CG1-CD1 3.93Å; V401-I419 HydrophobicContact CG1-CG1 4.48Å; V401-I419 HydrophobicContact CG1-CG2 4.01Å; V401-V436 HydrophobicContact CG1-CG1 4.5Å; V401-V436 HydrophobicContact CG2-CB 3.98Å; V401-V436 HydrophobicContact CG2-CG1 3.89Å; V401-V436 HydrophobicContact CG2-CG2 4.2Å; V401-V438 HydrophobicContact CG1-CG2 4.01Å; V401-V438 HydrophobicContact CG2-CG2 4.45Å
402	R	97.6	Very high	95.8	Very high	121 Å²	121	41.6 Å²	41.6	46%	0.457	20%	0.2	S	C	.	.	H	α-helix	trans	-59.7	-46	176.1	-178.9	-91	176.3	-144	-12.2	111.8	Y398 M399 T400 I404 A405 E406	Y398-R402 PolarHBondContact O-N 3.36Å; M399-R402 WeakPolarHBondContact O-CB 3.36Å; M399-R402 PolarHBondContact O-N 3.33Å; T400-R402 VanDerWaalsContact C-N 3.34Å; T400-R402 PolarHBondContact O-N 2.86Å; R402-I404 VanDerWaalsContact C-N 3.32Å; R402-I404 PolarHBondContact O-N 2.87Å; R402-A405 PolarHBondContact O-N 2.81Å; R402-E406 IonicContact CZ-OE1 3.43Å; R402-E406 IonicContact CZ-OE2 3.98Å; R402-E406 IonicContact NH1-OE1 3.62Å; R402-E406 PolarHBondContact NH1-OE1 3.48Å; R402-E406 VanDerWaalsContact NH1-OE1 3.16Å; R402-E406 IonicContact NH1-OE2 3.79Å; R402-E406 PolarHBondContact NH1-OE2 3.46Å; R402-E406 IonicContact NH2-OE1 2.87Å; R402-E406 PolarHBondContact NH2-OE1 3.23Å; R402-E406 IonicContact NH2-OE2 3.16Å; R402-E406 PolarHBondContact O-N 3.46Å
403	Q	95.7	Very high	95.6	Very high	30 Å²	30	46.3 Å²	46.3	14%	0.14	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-40.8	178.9	-63.3	-58.6	50.2	0	0	112	G332 Y356 M399 T400 Y484	G332-Q403 WeakPolarHBondContact O-CG 3.36Å; Y356-Q403 HydrophobicContact CE2-CB 4.39Å; M399-Q403 WeakPolarHBondContact O-CG 3.18Å; M399-Q403 PolarHBondContact O-N 3.44Å; T400-Q403 PolarHBondContact O-N 3.16Å; Q403-Y484 WeakPolarHBondContact O-CE1 3.48Å
404	I	96.7	Very high	95.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.4	-46	177.8	-68.9	165.3	0	0	0	110.2	F355 Y356 A363 I375 V377 T400 V401 R402 E406 R407 L408 Y484	F355-I404 HydrophobicContact CE2-CD1 4.19Å; F355-I404 HydrophobicContact CE2-CG1 4.15Å; F355-I404 HydrophobicContact CE2-CG2 4.24Å; F355-I404 HydrophobicContact CZ-CD1 4.16Å; F355-I404 HydrophobicContact CZ-CG2 4.24Å; Y356-I404 HydrophobicContact CD2-CG1 4.32Å; Y356-I404 HydrophobicContact CG-CD1 4.32Å; Y356-I404 HydrophobicContact CG-CG1 4.21Å; A363-I404 HydrophobicContact CB-CD1 3.23Å; I375-I404 HydrophobicContact CD1-CG2 4.15Å; I375-I404 HydrophobicContact CG1-CG2 4.38Å; V377-I404 HydrophobicContact CG2-CD1 3.68Å; T400-I404 HydrophobicContact CG2-CD1 3.86Å; T400-I404 WeakPolarHBondContact O-CG1 3.48Å; T400-I404 PolarHBondContact O-N 3.26Å; V401-I404 PolarHBondContact O-N 3.33Å; R402-I404 VanDerWaalsContact C-N 3.32Å; R402-I404 PolarHBondContact O-N 2.87Å; I404-E406 PolarHBondContact O-N 2.93Å; I404-R407 PolarHBondContact O-N 2.94Å; I404-L408 HydrophobicContact CG2-CB 4.05Å; I404-L408 HydrophobicContact CG2-CD2 3.97Å; I404-L408 HydrophobicContact CG2-CG 4.43Å; I404-L408 VanDerWaalsContact O-CB 3.22Å; I404-L408 WeakPolarHBondContact O-CB 3.39Å; I404-L408 PolarHBondContact O-N 3.01Å; I404-Y484 WeakPolarHBondContact CA-OH 3.44Å; I404-Y484 PolarHBondContact O-OH 3.48Å
405	A	96.1	Very high	95.4	Very high	25 Å²	25	49 Å²	49	21%	0.207	25%	0.253	C	S	.	.	H	α-helix	trans	-58.2	-29.7	-178.5	0	0	0	0	0	113.8	V401 R402 R407 P409 L417	V401-A405 WeakPolarHBondContact O-CB 3.41Å; V401-A405 PolarHBondContact O-N 3.19Å; R402-A405 PolarHBondContact O-N 2.81Å; A405-R407 VanDerWaalsContact C-N 3.3Å; A405-R407 PolarHBondContact O-N 3.47Å; A405-P409 WeakPolarHBondContact O-CD 3.34Å; A405-L417 HydrophobicContact CB-CD1 3.34Å
406	E	92.7	Very high	95.3	Very high	108 Å²	108	51 Å²	51	51%	0.505	27%	0.265	S	S	.	.	H	α-helix	trans	-62.3	-32.8	179.7	-174.3	166.4	-126	0	0	113.3	R402 I404	R402-E406 IonicContact CZ-OE1 3.43Å; R402-E406 IonicContact CZ-OE2 3.98Å; R402-E406 IonicContact NH1-OE1 3.62Å; R402-E406 PolarHBondContact NH1-OE1 3.48Å; R402-E406 VanDerWaalsContact NH1-OE1 3.16Å; R402-E406 IonicContact NH1-OE2 3.79Å; R402-E406 PolarHBondContact NH1-OE2 3.46Å; R402-E406 IonicContact NH2-OE1 2.87Å; R402-E406 PolarHBondContact NH2-OE1 3.23Å; R402-E406 IonicContact NH2-OE2 3.16Å; R402-E406 PolarHBondContact O-N 3.46Å; I404-E406 PolarHBondContact O-N 2.93Å
407	R	92.2	Very high	95.3	Very high	85 Å²	85	53.3 Å²	53.3	32%	0.321	28%	0.277	S	S	.	.	H	α-helix	trans	-123.8	-19.3	-174.1	-52.7	-167.1	75.5	159	9.9	115.2	I404 A405 P409 E410 L483 Y484 S487	I404-R407 PolarHBondContact O-N 2.94Å; A405-R407 VanDerWaalsContact C-N 3.3Å; A405-R407 PolarHBondContact O-N 3.47Å; R407-P409 VanDerWaalsContact C-CD 3.5Å; R407-E410 PolarHBondContact O-N 2.85Å; R407-L483 PolarHBondContact NH1-O 3.42Å; R407-Y484 HydrophobicContact CB-CE1 3.93Å; R407-Y484 HydrophobicContact CG-CE1 4.31Å; R407-S487 PolarHBondContact NH1-OG 3.11Å
408	L	95.1	Very high	95.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-57.5	-45.1	-176.3	-174.4	71.4	0	0	0	113	I375 I404 E410 C411 F412 L417 V438 P440 L480 Y484	I375-L408 HydrophobicContact CG1-CD2 3.87Å; I404-L408 HydrophobicContact CG2-CB 4.05Å; I404-L408 HydrophobicContact CG2-CD2 3.97Å; I404-L408 HydrophobicContact CG2-CG 4.43Å; I404-L408 VanDerWaalsContact O-CB 3.22Å; I404-L408 WeakPolarHBondContact O-CB 3.39Å; I404-L408 PolarHBondContact O-N 3.01Å; L408-E410 VanDerWaalsContact C-N 3.31Å; L408-E410 PolarHBondContact O-N 2.94Å; L408-C411 PolarHBondContact O-N 3.08Å; L408-F412 HydrophobicContact CD1-CD2 4.26Å; L408-F412 HydrophobicContact CD1-CE2 3.75Å; L408-F412 HydrophobicContact CG-CD2 4.48Å; L408-F412 HydrophobicContact CG-CE2 4.44Å; L408-F412 WeakPolarHBondContact O-CD2 3.13Å; L408-L417 HydrophobicContact CD2-CD2 4.46Å; L408-V438 HydrophobicContact CD2-CG1 3.85Å; L408-P440 HydrophobicContact CD2-CG 3.79Å; L408-P440 HydrophobicContact CG-CG 3.91Å; L408-L480 HydrophobicContact CD1-CD1 4.39Å; L408-L480 HydrophobicContact CD1-CD2 3.93Å; L408-Y484 PolarHBondContact N-OH 3.29Å
409	P	93.5	Very high	95.2	Very high	19 Å²	19	52.8 Å²	52.8	12%	0.123	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-37	-175.8	-24.3	34.9	0	0	0	114	A405 R407 C411 F412 S413 A414 L417	A405-P409 WeakPolarHBondContact O-CD 3.34Å; R407-P409 VanDerWaalsContact C-CD 3.5Å; P409-C411 PolarHBondContact O-N 3.24Å; P409-F412 PolarHBondContact O-N 3Å; P409-F412 VanDerWaalsContact O-N 3.12Å; P409-S413 PolarHBondContact O-N 2.7Å; P409-S413 VanDerWaalsContact O-N 3.15Å; P409-A414 HydrophobicContact CB-CB 4.04Å; P409-A414 VanDerWaalsContact CB-O 3.29Å; P409-A414 WeakPolarHBondContact CB-O 3.26Å; P409-A414 PolarHBondContact O-N 3.4Å; P409-L417 HydrophobicContact CG-CD1 4.25Å; P409-L417 HydrophobicContact CG-CD2 3.82Å; P409-L417 HydrophobicContact CG-CG 3.99Å
410	E	88	Confident	95.2	Very high	137 Å²	137	49.9 Å²	49.9	64%	0.64	27%	0.268	S	S	*	.	H	α-helix	trans	-57	-39	-177.7	-62.1	-177.5	165.4	0	0	111.8	R407 L408 F412 S413	R407-E410 PolarHBondContact O-N 2.85Å; L408-E410 VanDerWaalsContact C-N 3.31Å; L408-E410 PolarHBondContact O-N 2.94Å; E410-F412 VanDerWaalsContact C-N 3.26Å; E410-F412 PolarHBondContact O-N 3.13Å; E410-S413 PolarHBondContact O-N 2.97Å
411	C	91.1	Very high	95.1	Very high	50 Å²	50	52 Å²	52	34%	0.338	28%	0.279	S	S	.	.	H	α-helix	trans	-72.4	-21.2	-176.4	-68.4	0	0	0	0	114.1	L408 P409 L483	L408-C411 PolarHBondContact O-N 3.08Å; P409-C411 PolarHBondContact O-N 3.24Å; C411-L483 HydrophobicContact CB-CD1 4.15Å; C411-L483 WeakPolarHBondContact SG-CD1 3.47Å; C411-L483 WeakPolarHBondContact SG-CD2 3.05Å
412	F	93.3	Very high	95	Very high	32 Å²	32	53.2 Å²	53.2	14%	0.14	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	9.2	-179.7	-62.4	-77.6	0	0	0	112.1	P372 L408 P409 E410 A414 P440 K442 L480	P372-F412 HydrophobicContact CB-CD1 3.84Å; P372-F412 HydrophobicContact CB-CE1 4.4Å; L408-F412 HydrophobicContact CD1-CD2 4.26Å; L408-F412 HydrophobicContact CD1-CE2 3.75Å; L408-F412 HydrophobicContact CG-CD2 4.48Å; L408-F412 HydrophobicContact CG-CE2 4.44Å; L408-F412 WeakPolarHBondContact O-CD2 3.13Å; P409-F412 PolarHBondContact O-N 3Å; P409-F412 VanDerWaalsContact O-N 3.12Å; E410-F412 VanDerWaalsContact C-N 3.26Å; E410-F412 PolarHBondContact O-N 3.13Å; F412-A414 PolarHBondContact O-N 3.22Å; F412-P440 HydrophobicContact CB-CB 4.3Å; F412-P440 HydrophobicContact CD2-CG 4.11Å; F412-K442 WeakPolarHBondContact O-CE 3.39Å; F412-K442 PolarHBondContact O-NZ 3.3Å; F412-L480 HydrophobicContact CE2-CD2 3.9Å; F412-L480 HydrophobicContact CZ-CD2 4.14Å
413	S	92.9	Very high	94.9	Very high	98 Å²	98	49.7 Å²	49.7	69%	0.685	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	38.6	-173.3	-43.9	0	0	0	0	112	P409 E410 K442	P409-S413 PolarHBondContact O-N 2.7Å; P409-S413 VanDerWaalsContact O-N 3.15Å; E410-S413 PolarHBondContact O-N 2.97Å; S413-K442 WeakPolarHBondContact O-CE 3.24Å
414	A	95.6	Very high	95	Very high	11 Å²	11	48.7 Å²	48.7	9%	0.091	27%	0.272	C	S	.	.			trans	-98.8	153.3	174.8	0	0	0	0	0	109.8	P409 F412 P440 R441 K442	P409-A414 HydrophobicContact CB-CB 4.04Å; P409-A414 VanDerWaalsContact CB-O 3.29Å; P409-A414 WeakPolarHBondContact CB-O 3.26Å; P409-A414 PolarHBondContact O-N 3.4Å; F412-A414 PolarHBondContact O-N 3.22Å; A414-P440 HydrophobicContact CB-CB 3.5Å; A414-P440 VanDerWaalsContact CB-CB 3.5Å; A414-R441 WeakPolarHBondContact CA-O 3.33Å; A414-R441 VanDerWaalsContact CB-O 3.29Å; A414-R441 WeakPolarHBondContact CB-O 3.31Å; A414-K442 HydrophobicContact CB-CG 4.3Å
415	T	94.9	Very high	94.9	Very high	109 Å²	109	57.1 Å²	57.1	67%	0.669	31%	0.311	S	S	*	.	S	Bend	trans	-113.4	-13.1	179.9	57.3	0	0	0	0	112.6	R441	T415-R441 PolarHBondContact N-O 3.36Å; T415-R441 VanDerWaalsContact N-O 3.14Å
416	S	96.5	Very high	94.8	Very high	65 Å²	65	64.2 Å²	64.2	46%	0.455	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	171.5	-173	-55.4	0	0	0	0	110.3	R441	S416-R441 PolarHBondContact N-O 3.12Å; S416-R441 PolarHBondContact O-N 3.15Å
417	L	97.4	Very high	94.9	Very high	48 Å²	48	61.8 Å²	61.8	25%	0.251	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.4	176.5	-65.5	170.6	0	0	0	110.1	A405 L408 P409 I419 V438 L439 P440	A405-L417 HydrophobicContact CB-CD1 3.34Å; L408-L417 HydrophobicContact CD2-CD2 4.46Å; P409-L417 HydrophobicContact CG-CD1 4.25Å; P409-L417 HydrophobicContact CG-CD2 3.82Å; P409-L417 HydrophobicContact CG-CG 3.99Å; L417-I419 HydrophobicContact CB-CD1 4.49Å; L417-I419 HydrophobicContact CB-CG1 4.18Å; L417-I419 HydrophobicContact CD1-CD1 4.35Å; L417-V438 HydrophobicContact CD1-CG1 4.25Å; L417-V438 HydrophobicContact CD2-CG1 4.01Å; L417-L439 CarbonylContact C-O 3.56Å; L417-L439 VanDerWaalsContact CA-O 3.31Å; L417-L439 WeakPolarHBondContact CA-O 3.22Å; L417-P440 HydrophobicContact CD2-CB 4.34Å; L417-P440 HydrophobicContact CD2-CG 4.24Å
418	T	97.6	Very high	94.9	Very high	13 Å²	13	59.9 Å²	59.9	8%	0.08	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124.3	154.4	-63.5	0	0	0	0	107.3	L439 R441 I452 Y453	T418-L439 HydrophobicContact CG2-CD1 4.13Å; T418-L439 PolarHBondContact N-O 2.79Å; T418-L439 WeakPolarHBondContact O-CD1 3.38Å; T418-L439 PolarHBondContact O-N 2.9Å; T418-R441 WeakPolarHBondContact OG1-CD 3.26Å; T418-R441 WeakPolarHBondContact OG1-CG 3.26Å; T418-R441 PolarHBondContact OG1-NH1 3.2Å; T418-I452 HydrophobicContact CG2-CG2 4.31Å; T418-Y453 HydrophobicContact CG2-CE1 4.36Å
419	I	97.8	Very high	94.9	Very high	75 Å²	75	61 Å²	61	39%	0.385	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119	176	-61.4	172.2	0	0	0	107	V401 L417 V436 H437 V438	V401-I419 HydrophobicContact CG1-CD1 3.93Å; V401-I419 HydrophobicContact CG1-CG1 4.48Å; V401-I419 HydrophobicContact CG1-CG2 4.01Å; L417-I419 HydrophobicContact CB-CD1 4.49Å; L417-I419 HydrophobicContact CB-CG1 4.18Å; L417-I419 HydrophobicContact CD1-CD1 4.35Å; I419-V436 HydrophobicContact CG2-CG1 3.51Å; I419-H437 VanDerWaalsContact CA-O 3.31Å; I419-H437 WeakPolarHBondContact CA-O 3.5Å; I419-V438 HydrophobicContact CG1-CG1 4.33Å
420	S	96.7	Very high	94.8	Very high	16 Å²	16	63.3 Å²	63.3	11%	0.112	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.6	-174.8	63.1	0	0	0	0	112.7	H437	S420-H437 PolarHBondContact N-O 3.3Å; S420-H437 PolarHBondContact O-N 2.71Å
421	M	96.9	Very high	95.1	Very high	45 Å²	45	57.5 Å²	57.5	22%	0.222	35%	0.347	C	S	.	.			trans	-132.5	130.7	174	174.9	-175.4	-62.3	0	0	108.8	F386 L397 Y398 V434 H435 V436	F386-M421 HydrophobicContact CB-SD 3.94Å; F386-M421 HydrophobicContact CD2-CE 3.74Å; F386-M421 HydrophobicContact CD2-SD 3.62Å; F386-M421 HydrophobicContact CE2-CE 4.12Å; F386-M421 HydrophobicContact CE2-SD 4.43Å; F386-M421 HydrophobicContact CG-SD 3.97Å; L397-M421 HydrophobicContact CD2-CE 3.91Å; Y398-M421 HydrophobicContact CE2-CE 4.18Å; M421-V434 HydrophobicContact CE-CG1 3.65Å; M421-V434 HydrophobicContact SD-CG1 4Å; M421-H435 WeakPolarHBondContact CG-O 3.49Å; M421-V436 HydrophobicContact CE-CG2 3.46Å; M421-V436 VanDerWaalsContact CE-CG2 3.46Å
422	Q	96.4	Very high	95.3	Very high	31 Å²	31	57.9 Å²	57.9	15%	0.145	35%	0.35	C	S	.	.			trans	-97.2	119.3	167.2	-67.8	77.9	12.1	0	0	108.6	A427 Q429 H437	Q422-A427 HydrophobicContact CB-CB 4.37Å; Q422-A427 WeakPolarHBondContact CG-O 3.21Å; Q422-Q429 HydrophobicContact CB-CB 3.96Å; Q422-Q429 WeakPolarHBondContact O-CB 3.21Å; Q422-Q429 VanDerWaalsContact O-CG 3.3Å; Q422-Q429 WeakPolarHBondContact O-CG 3.12Å; Q422-H437 PolarHBondContact OE1-CD2 2.76Å; Q422-H437 VanDerWaalsContact OE1-CD2 3.24Å; Q422-H437 PolarHBondContact OE1-NE2 3.13Å
423	D	97.1	Very high	95.5	Very high	47 Å²	47	56.3 Å²	56.3	25%	0.251	34%	0.343	S	S	.	.			trans	-115.8	98.2	-179.4	-179.8	54.5	0	0	0	110.8	R385 F386	R385-D423 WeakPolarHBondContact CA-OD1 3.21Å; R385-D423 IonicContact CZ-OD1 3.89Å; R385-D423 IonicContact CZ-OD2 3.38Å; R385-D423 VanDerWaalsContact NE-CG 3.26Å; R385-D423 IonicContact NE-OD1 2.91Å; R385-D423 PolarHBondContact NE-OD1 2.62Å; R385-D423 IonicContact NE-OD2 3.16Å; R385-D423 PolarHBondContact NE-OD2 3.06Å; R385-D423 VanDerWaalsContact NE-OD2 3.16Å; R385-D423 PolarHBondContact NH2-O 3.21Å; R385-D423 IonicContact NH2-OD1 3.97Å; R385-D423 IonicContact NH2-OD2 2.75Å; R385-D423 PolarHBondContact NH2-OD2 2.95Å; F386-D423 HydrophobicContact CB-CB 4.46Å; F386-D423 PolarHBondContact N-OD1 2.75Å
424	G	96.8	Very high	95.8	Very high	9 Å²	9	51.7 Å²	51.7	9%	0.093	31%	0.311	C	S	.	.	S	Bend	trans	99.2	160	-175	0	0	0	0	0	114.2	D426 A427 G428 Q429	G424-D426 PolarHBondContact O-N 3.37Å; G424-A427 WeakPolarHBondContact O-CB 3.29Å; G424-A427 PolarHBondContact O-N 3.44Å; G424-A427 VanDerWaalsContact O-N 3.14Å; G424-G428 PolarHBondContact O-N 3.22Å; G424-Q429 WeakPolarHBondContact O-CB 3.38Å; G424-Q429 PolarHBondContact O-N 3.32Å; G424-Q429 VanDerWaalsContact O-N 3.11Å
425	E	93.5	Very high	95.9	Very high	176 Å²	176	51.4 Å²	51.4	82%	0.822	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-58.7	-44.9	-175.9	-175.7	175.1	177.3	0	0	112.6	A427 G428	E425-A427 PolarHBondContact O-N 3.38Å; E425-G428 WeakPolarHBondContact O-CA 3.47Å; E425-G428 PolarHBondContact O-N 2.66Å
426	D	94.8	Very high	96.1	Very high	174 Å²	174	46.2 Å²	46.2	93%	0.93	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-66.8	-22	179.7	-64.6	-34.9	0	0	0	113.2	G424 G428	G424-D426 PolarHBondContact O-N 3.37Å; D426-G428 VanDerWaalsContact C-N 3.26Å
427	A	94.7	Very high	96.2	Very high	58 Å²	58	43.5 Å²	43.5	48%	0.479	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-82.1	-4.3	171.7	0	0	0	0	0	112.6	Q422 G424 E425	Q422-A427 HydrophobicContact CB-CB 4.37Å; Q422-A427 WeakPolarHBondContact CG-O 3.21Å; G424-A427 WeakPolarHBondContact O-CB 3.29Å; G424-A427 PolarHBondContact O-N 3.44Å; G424-A427 VanDerWaalsContact O-N 3.14Å; E425-A427 PolarHBondContact O-N 3.38Å
428	G	92.9	Very high	96.2	Very high	45 Å²	45	41.2 Å²	41.2	46%	0.464	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	21.3	-177	0	0	0	0	0	114.5	G424 E425 D426 S430	G424-G428 PolarHBondContact O-N 3.22Å; E425-G428 WeakPolarHBondContact O-CA 3.47Å; E425-G428 PolarHBondContact O-N 2.66Å; D426-G428 VanDerWaalsContact C-N 3.26Å; G428-S430 PolarHBondContact O-N 3.2Å
429	Q	94.6	Very high	96.2	Very high	23 Å²	23	40.6 Å²	40.6	11%	0.107	24%	0.24	C	C	.	.			trans	-70.2	100.1	176.9	-170.7	-174.6	14.5	0	0	110.5	Q384 Q422 G424 V431 H433	Q384-Q429 PolarHBondContact O-NE2 2.87Å; Q384-Q429 PolarHBondContact O-OE1 3.33Å; Q422-Q429 HydrophobicContact CB-CB 3.96Å; Q422-Q429 WeakPolarHBondContact O-CB 3.21Å; Q422-Q429 VanDerWaalsContact O-CG 3.3Å; Q422-Q429 WeakPolarHBondContact O-CG 3.12Å; G424-Q429 WeakPolarHBondContact O-CB 3.38Å; G424-Q429 PolarHBondContact O-N 3.32Å; G424-Q429 VanDerWaalsContact O-N 3.11Å; Q429-V431 VanDerWaalsContact CG-O 3.26Å; Q429-V431 WeakPolarHBondContact CG-O 3.33Å; Q429-V431 PolarHBondContact NE2-O 3.02Å; Q429-H433 PolarHBondContact NE2-O 2.91Å; Q429-H433 VanDerWaalsContact NE2-O 3.13Å
430	S	91.5	Very high	96.2	Very high	67 Å²	67	37.2 Å²	37.2	47%	0.469	22%	0.223	S	C	.	.			trans	-83.4	-24.4	-175.8	58.3	0	0	0	0	114.7	G428 D460	G428-S430 PolarHBondContact O-N 3.2Å; S430-D460 WeakPolarHBondContact CB-OD2 3.43Å; S430-D460 PolarHBondContact OG-OD2 3.18Å
431	V	94.3	Very high	96.2	Very high	15 Å²	15	37.3 Å²	37.3	9%	0.091	22%	0.221	C	C	.	.	S	Bend	trans	-111.9	120.9	171	179.1	0	0	0	0	108.4	F344 Q429 H433	F344-V431 HydrophobicContact CD1-CG1 4.04Å; F344-V431 HydrophobicContact CD1-CG2 4.4Å; F344-V431 HydrophobicContact CD2-CG1 4.11Å; F344-V431 HydrophobicContact CE1-CB 3.85Å; F344-V431 HydrophobicContact CE1-CG1 3.78Å; F344-V431 HydrophobicContact CE1-CG2 3.64Å; F344-V431 HydrophobicContact CE2-CB 4.17Å; F344-V431 HydrophobicContact CE2-CG1 3.8Å; F344-V431 HydrophobicContact CG-CG1 4.21Å; F344-V431 HydrophobicContact CZ-CB 3.6Å; F344-V431 HydrophobicContact CZ-CG1 3.65Å; F344-V431 HydrophobicContact CZ-CG2 3.89Å; Q429-V431 VanDerWaalsContact CG-O 3.26Å; Q429-V431 WeakPolarHBondContact CG-O 3.33Å; Q429-V431 PolarHBondContact NE2-O 3.02Å; V431-H433 HydrophobicContact CG1-CB 4.23Å; V431-H433 PolarHBondContact O-N 3.02Å
432	S	95.3	Very high	96.2	Very high	58 Å²	58	39.2 Å²	39.2	41%	0.406	23%	0.228	S	C	.	.	S	Bend	trans	-73.9	61.7	-179.2	-164.5	0	0	0	0	112.2	Q384	Q384-S432 VanDerWaalsContact CG-OG 3.29Å; Q384-S432 WeakPolarHBondContact CG-OG 3.34Å
433	H	98	Very high	96.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-151.6	132.1	174.1	-172.5	177.2	0	0	0	106.1	N343 F344 G345 P379 A381 V383 Q429 V431 H435	N343-H433 PolarHBondContact O-CE1 3.48Å; F344-H433 HydrophobicContact CD2-CB 4.18Å; F344-H433 AromaticContact CD2-ND1 3.81Å; F344-H433 HydrophobicContact CE2-CB 4.25Å; G345-H433 PolarHBondContact N-ND1 3.15Å; P379-H433 PolarHBondContact O-CE1 3.05Å; P379-H433 PolarHBondContact O-NE2 3.24Å; A381-H433 PolarHBondContact O-NE2 3.37Å; A381-H433 VanDerWaalsContact O-NE2 3.12Å; V383-H433 CarbonylContact O-C 3.55Å; V383-H433 VanDerWaalsContact O-CA 3.26Å; V383-H433 WeakPolarHBondContact O-CA 3.12Å; V383-H433 PolarHBondContact O-CD2 2.92Å; Q429-H433 PolarHBondContact NE2-O 2.91Å; Q429-H433 VanDerWaalsContact NE2-O 3.13Å; V431-H433 HydrophobicContact CG1-CB 4.23Å; V431-H433 PolarHBondContact O-N 3.02Å; H433-H435 PolarHBondContact O-N 3.5Å; H433-H435 PolarHBondContact O-ND1 2.77Å
434	V	98.5	Very high	96	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	28%	0.277	C	S	.	.			trans	-54.2	128.9	173.1	176.5	0	0	0	0	109.4	C378 P379 V383 F386 L389 L397 M421	C378-V434 VanDerWaalsContact CB-O 3.24Å; C378-V434 WeakPolarHBondContact CB-O 3.14Å; P379-V434 WeakPolarHBondContact CD-O 3Å; P379-V434 HydrophobicContact CG-CB 4.3Å; V383-V434 HydrophobicContact CG1-CG2 4.43Å; V383-V434 WeakPolarHBondContact O-CG2 3.43Å; V383-V434 PolarHBondContact O-N 3.44Å; F386-V434 HydrophobicContact CD2-CG1 4.38Å; L389-V434 HydrophobicContact CD1-CB 4.39Å; L389-V434 HydrophobicContact CD1-CG1 3.91Å; L389-V434 HydrophobicContact CD1-CG2 4.38Å; L389-V434 HydrophobicContact CG-CG2 4.44Å; L397-V434 HydrophobicContact CD2-CG1 3.92Å; M421-V434 HydrophobicContact CE-CG1 3.65Å; M421-V434 HydrophobicContact SD-CG1 4Å
435	H	98.3	Very high	95.9	Very high	5 Å²	5	49.1 Å²	49.1	2%	0.023	29%	0.285	C	S	.	.			trans	-152.2	151.1	173.1	54.5	-76.2	0	0	0	110.5	F344 V377 C378 M421 H433 H437	F344-H435 HydrophobicContact CE2-CB 3.72Å; F344-H435 AromaticContact CE2-CG 3.55Å; F344-H435 AromaticContact CE2-ND1 3.45Å; F344-H435 WeakPolarHBondContact CE2-ND1 3.45Å; F344-H435 HydrophobicContact CZ-CB 4.25Å; F344-H435 AromaticContact CZ-CD2 3.9Å; F344-H435 AromaticContact CZ-CE1 3.77Å; F344-H435 AromaticContact CZ-CG 3.68Å; F344-H435 AromaticContact CZ-ND1 3.6Å; F344-H435 AromaticContact CZ-NE2 3.93Å; V377-H435 CarbonylContact O-C 3.42Å; V377-H435 VanDerWaalsContact O-CA 3.31Å; V377-H435 WeakPolarHBondContact O-CA 3.47Å; C378-H435 HydrophobicContact CB-CB 3.93Å; M421-H435 WeakPolarHBondContact CG-O 3.49Å; H433-H435 PolarHBondContact O-N 3.5Å; H433-H435 PolarHBondContact O-ND1 2.77Å; H435-H437 AromaticContact CD2-CD2 3.84Å; H435-H437 AromaticContact CD2-NE2 3.5Å; H435-H437 PolarHBondContact CD2-NE2 2.77Å; H435-H437 AromaticContact NE2-NE2 3.44Å; H435-H437 PolarHBondContact NE2-NE2 3.42Å
436	V	98.5	Very high	96	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.5	175.9	-176.4	0	0	0	0	107.7	L376 V377 L397 V401 I419 M421 V438	L376-V436 WeakPolarHBondContact CA-O 3.27Å; V377-V436 HydrophobicContact CB-CB 4.47Å; V377-V436 PolarHBondContact N-O 2.84Å; V377-V436 PolarHBondContact O-N 3.3Å; L397-V436 HydrophobicContact CD1-CG2 4.23Å; L397-V436 HydrophobicContact CD2-CG2 4.09Å; L397-V436 HydrophobicContact CG-CG2 4.16Å; V401-V436 HydrophobicContact CG1-CG1 4.5Å; V401-V436 HydrophobicContact CG2-CB 3.98Å; V401-V436 HydrophobicContact CG2-CG1 3.89Å; V401-V436 HydrophobicContact CG2-CG2 4.2Å; I419-V436 HydrophobicContact CG2-CG1 3.51Å; M421-V436 HydrophobicContact CE-CG2 3.46Å; M421-V436 VanDerWaalsContact CE-CG2 3.46Å; V436-V438 HydrophobicContact CG1-CG2 4.23Å
437	H	97.9	Very high	96	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.032	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.5	166	-64.5	-102.6	0	0	0	109.3	H374 L376 I419 S420 Q422 H435 L439	H374-H437 AromaticContact CE1-ND1 3.46Å; H374-H437 PolarHBondContact CE1-ND1 3.09Å; H374-H437 AromaticContact NE2-CE1 3.89Å; H374-H437 AromaticContact NE2-CG 3.77Å; H374-H437 AromaticContact NE2-ND1 2.89Å; H374-H437 PolarHBondContact NE2-ND1 3.03Å; L376-H437 HydrophobicContact CD2-CB 4.29Å; L376-H437 VanDerWaalsContact CD2-ND1 3.33Å; L376-H437 WeakPolarHBondContact CD2-ND1 3.46Å; I419-H437 VanDerWaalsContact CA-O 3.31Å; I419-H437 WeakPolarHBondContact CA-O 3.5Å; S420-H437 PolarHBondContact N-O 3.3Å; S420-H437 PolarHBondContact O-N 2.71Å; Q422-H437 PolarHBondContact OE1-CD2 2.76Å; Q422-H437 VanDerWaalsContact OE1-CD2 3.24Å; Q422-H437 PolarHBondContact OE1-NE2 3.13Å; H435-H437 AromaticContact CD2-CD2 3.84Å; H435-H437 AromaticContact CD2-NE2 3.5Å; H435-H437 PolarHBondContact CD2-NE2 2.77Å; H435-H437 AromaticContact NE2-NE2 3.44Å; H435-H437 PolarHBondContact NE2-NE2 3.42Å; H437-L439 HydrophobicContact CB-CD1 3.66Å
438	V	98.3	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116.1	170.9	-174.8	0	0	0	0	107.7	I375 V377 V401 L408 L417 I419 V436	I375-V438 HydrophobicContact CD1-CB 3.58Å; I375-V438 HydrophobicContact CD1-CG1 4.48Å; I375-V438 HydrophobicContact CD1-CG2 3.78Å; I375-V438 HydrophobicContact CG1-CB 3.96Å; I375-V438 PolarHBondContact N-O 3.41Å; I375-V438 PolarHBondContact O-N 2.92Å; V377-V438 HydrophobicContact CG2-CG2 4.08Å; V401-V438 HydrophobicContact CG1-CG2 4.01Å; V401-V438 HydrophobicContact CG2-CG2 4.45Å; L408-V438 HydrophobicContact CD2-CG1 3.85Å; L417-V438 HydrophobicContact CD1-CG1 4.25Å; L417-V438 HydrophobicContact CD2-CG1 4.01Å; I419-V438 HydrophobicContact CG1-CG1 4.33Å; V436-V438 HydrophobicContact CG1-CG2 4.23Å
439	L	97.6	Very high	96	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	113.1	-172	-55	96.1	0	0	0	110.2	L370 V371 H374 L417 T418 H437 R441 I452	L370-L439 HydrophobicContact CB-CD2 4.18Å; L370-L439 HydrophobicContact CD1-CD2 4.28Å; V371-L439 HydrophobicContact CG2-CB 3.84Å; V371-L439 HydrophobicContact CG2-CD2 4.3Å; H374-L439 HydrophobicContact CB-CD2 4.4Å; H374-L439 HydrophobicContact CB-CG 4.39Å; L417-L439 CarbonylContact C-O 3.56Å; L417-L439 VanDerWaalsContact CA-O 3.31Å; L417-L439 WeakPolarHBondContact CA-O 3.22Å; T418-L439 HydrophobicContact CG2-CD1 4.13Å; T418-L439 PolarHBondContact N-O 2.79Å; T418-L439 WeakPolarHBondContact O-CD1 3.38Å; T418-L439 PolarHBondContact O-N 2.9Å; H437-L439 HydrophobicContact CB-CD1 3.66Å; L439-R441 PolarHBondContact O-N 2.91Å; L439-I452 HydrophobicContact CD2-CD1 3.88Å; L439-I452 HydrophobicContact CD2-CG1 4.25Å
440	P	97.8	Very high	96	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	126.4	171.8	-23.2	35.2	0	0	0	112.3	V371 G373 L408 F412 A414 L417	V371-P440 WeakPolarHBondContact CG2-O 3.21Å; G373-P440 VanDerWaalsContact C-CD 3.42Å; G373-P440 WeakPolarHBondContact O-CD 3.41Å; L408-P440 HydrophobicContact CD2-CG 3.79Å; L408-P440 HydrophobicContact CG-CG 3.91Å; F412-P440 HydrophobicContact CB-CB 4.3Å; F412-P440 HydrophobicContact CD2-CG 4.11Å; A414-P440 HydrophobicContact CB-CB 3.5Å; A414-P440 VanDerWaalsContact CB-CB 3.5Å; L417-P440 HydrophobicContact CD2-CB 4.34Å; L417-P440 HydrophobicContact CD2-CG 4.24Å
441	R	97.5	Very high	96.2	Very high	18 Å²	18	48.8 Å²	48.8	7%	0.068	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	140	-175.6	-60.3	-58.3	-57.6	-83.7	-0.7	111.7	A414 T415 S416 T418 L439 D445 N449	A414-R441 WeakPolarHBondContact CA-O 3.33Å; A414-R441 VanDerWaalsContact CB-O 3.29Å; A414-R441 WeakPolarHBondContact CB-O 3.31Å; T415-R441 PolarHBondContact N-O 3.36Å; T415-R441 VanDerWaalsContact N-O 3.14Å; S416-R441 PolarHBondContact N-O 3.12Å; S416-R441 PolarHBondContact O-N 3.15Å; T418-R441 WeakPolarHBondContact OG1-CD 3.26Å; T418-R441 WeakPolarHBondContact OG1-CG 3.26Å; T418-R441 PolarHBondContact OG1-NH1 3.2Å; L439-R441 PolarHBondContact O-N 2.91Å; R441-D445 WeakPolarHBondContact CA-OD2 3.45Å; R441-D445 IonicContact CZ-OD1 3.42Å; R441-D445 IonicContact CZ-OD2 3.79Å; R441-D445 IonicContact NE-OD1 3.24Å; R441-D445 PolarHBondContact NE-OD1 2.94Å; R441-D445 IonicContact NE-OD2 2.83Å; R441-D445 PolarHBondContact NE-OD2 3.27Å; R441-D445 IonicContact NH2-OD1 2.75Å; R441-D445 PolarHBondContact NH2-OD1 3Å; R441-D445 IonicContact NH2-OD2 3.86Å; R441-N449 PolarHBondContact NH1-O 3.02Å; R441-N449 PolarHBondContact NH2-O 3.33Å
442	K	96.2	Very high	96.2	Very high	85 Å²	85	48 Å²	48	37%	0.37	26%	0.261	S	S	.	.			trans	-119.8	156.9	175.1	-63	-179.7	-176.5	-171.8	0	110.1	F412 S413 A414 N444 D445	F412-K442 WeakPolarHBondContact O-CE 3.39Å; F412-K442 PolarHBondContact O-NZ 3.3Å; S413-K442 WeakPolarHBondContact O-CE 3.24Å; A414-K442 HydrophobicContact CB-CG 4.3Å; K442-N444 PolarHBondContact O-N 3.32Å; K442-D445 HydrophobicContact CB-CB 4.28Å; K442-D445 PolarHBondContact N-OD2 3.23Å; K442-D445 PolarHBondContact O-N 2.93Å
443	P	94.5	Very high	96.1	Very high	98 Å²	98	50.6 Å²	50.6	64%	0.636	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	129.2	167.9	-24.5	34.2	0	0	0	110.8	D445	P443-D445 VanDerWaalsContact C-N 3.25Å; P443-D445 PolarHBondContact O-N 3.41Å
444	N	94.2	Very high	95.8	Very high	148 Å²	148	57 Å²	57	79%	0.791	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	26.6	175	-44.8	-48.2	0	0	0	115.1	K442 F446	K442-N444 PolarHBondContact O-N 3.32Å; N444-F446 PolarHBondContact O-N 3.3Å
445	D	95.1	Very high	95.5	Very high	49 Å²	49	57.8 Å²	57.8	26%	0.262	30%	0.298	S	S	.	.	S	Bend	trans	-67.9	-22.7	170.5	58.7	3.4	0	0	0	112.8	R441 K442 P443	R441-D445 WeakPolarHBondContact CA-OD2 3.45Å; R441-D445 IonicContact CZ-OD1 3.42Å; R441-D445 IonicContact CZ-OD2 3.79Å; R441-D445 IonicContact NE-OD1 3.24Å; R441-D445 PolarHBondContact NE-OD1 2.94Å; R441-D445 IonicContact NE-OD2 2.83Å; R441-D445 PolarHBondContact NE-OD2 3.27Å; R441-D445 IonicContact NH2-OD1 2.75Å; R441-D445 PolarHBondContact NH2-OD1 3Å; R441-D445 IonicContact NH2-OD2 3.86Å; K442-D445 HydrophobicContact CB-CB 4.28Å; K442-D445 PolarHBondContact N-OD2 3.23Å; K442-D445 PolarHBondContact O-N 2.93Å; P443-D445 VanDerWaalsContact C-N 3.25Å; P443-D445 PolarHBondContact O-N 3.41Å
446	F	95.2	Very high	95	Very high	36 Å²	36	58 Å²	58	16%	0.158	30%	0.299	C	S	.	.	S	Bend	trans	-128.5	154.6	166.5	-73.3	-96.2	0	0	0	109.5	V371 N444 E448 D451 I452 A455	V371-F446 HydrophobicContact CG1-CE2 3.79Å; V371-F446 HydrophobicContact CG1-CZ 4.44Å; N444-F446 PolarHBondContact O-N 3.3Å; F446-E448 VanDerWaalsContact C-N 3.34Å; F446-E448 VanDerWaalsContact CB-O 3.31Å; F446-E448 WeakPolarHBondContact CB-O 3.46Å; F446-E448 PolarHBondContact O-N 3.01Å; F446-D451 HydrophobicContact CB-CB 4.19Å; F446-D451 HydrophobicContact CD1-CB 3.92Å; F446-D451 HydrophobicContact CG-CB 4.42Å; F446-I452 HydrophobicContact CD2-CB 4.47Å; F446-I452 HydrophobicContact CD2-CD1 4.33Å; F446-I452 HydrophobicContact CE1-CD1 4.3Å; F446-I452 HydrophobicContact CE2-CB 4.36Å; F446-I452 HydrophobicContact CE2-CD1 3.44Å; F446-I452 VanDerWaalsContact CE2-CD1 3.44Å; F446-I452 HydrophobicContact CE2-CG1 4.43Å; F446-I452 HydrophobicContact CZ-CD1 3.42Å; F446-I452 VanDerWaalsContact CZ-CD1 3.42Å; F446-A455 HydrophobicContact CE1-CB 3.81Å; F446-A455 HydrophobicContact CZ-CB 4.18Å
447	P	95.5	Very high	94.5	Very high	112 Å²	112	64.6 Å²	64.6	73%	0.727	33%	0.33	S	S	*	.	S	Bend	trans	-56.2	-48.1	174.7	-24.1	34.5	0	0	0	112.1
448	E	95.3	Very high	93.9	Very high	132 Å²	132	67 Å²	67	62%	0.617	35%	0.348	S	S	*	.	S	Bend	trans	-118.8	145.5	170.5	-60.2	-61	149	0	0	110.4	F446 D450 D451	F446-E448 VanDerWaalsContact C-N 3.34Å; F446-E448 VanDerWaalsContact CB-O 3.31Å; F446-E448 WeakPolarHBondContact CB-O 3.46Å; F446-E448 PolarHBondContact O-N 3.01Å; E448-D450 PolarHBondContact O-N 3.11Å; E448-D450 VanDerWaalsContact O-N 3.11Å; E448-D451 PolarHBondContact N-OD2 3.46Å; E448-D451 WeakPolarHBondContact O-CB 3.2Å; E448-D451 PolarHBondContact O-N 2.84Å
449	N	93	Very high	93	Very high	113 Å²	113	68.2 Å²	68.2	60%	0.604	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.4	-174.3	-77.1	-29	0	0	0	113.8	R441 I452	R441-N449 PolarHBondContact NH1-O 3.02Å; R441-N449 PolarHBondContact NH2-O 3.33Å; N449-I452 WeakPolarHBondContact O-CG2 3.22Å
450	D	94.1	Very high	92	Very high	111 Å²	111	70.7 Å²	70.7	59%	0.594	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.8	-176.8	-73	-10.7	0	0	0	113.7	E448 I452 Y453	E448-D450 PolarHBondContact O-N 3.11Å; E448-D450 VanDerWaalsContact O-N 3.11Å; D450-I452 PolarHBondContact O-N 2.86Å; D450-I452 VanDerWaalsContact O-N 3.12Å; D450-Y453 HydrophobicContact CB-CD2 3.92Å; D450-Y453 HydrophobicContact CB-CE2 4.21Å; D450-Y453 WeakPolarHBondContact O-CD2 3.41Å; D450-Y453 PolarHBondContact O-N 3.44Å; D450-Y453 WeakPolarHBondContact OD1-CE2 3.47Å
451	D	95.7	Very high	91	Very high	32 Å²	32	77.5 Å²	77.5	17%	0.171	40%	0.396	C	S	.	.	H	α-helix	trans	-62.3	-18.3	170.9	-74.7	-28.7	0	0	0	111.8	F446 E448 Y453 K454 A455	F446-D451 HydrophobicContact CB-CB 4.19Å; F446-D451 HydrophobicContact CD1-CB 3.92Å; F446-D451 HydrophobicContact CG-CB 4.42Å; E448-D451 PolarHBondContact N-OD2 3.46Å; E448-D451 WeakPolarHBondContact O-CB 3.2Å; E448-D451 PolarHBondContact O-N 2.84Å; D451-Y453 PolarHBondContact O-N 3.21Å; D451-K454 WeakPolarHBondContact O-CB 3.43Å; D451-K454 PolarHBondContact O-N 3.36Å; D451-K454 VanDerWaalsContact O-N 3.14Å; D451-K454 IonicContact OD1-NZ 2.74Å; D451-K454 PolarHBondContact OD1-NZ 2.89Å; D451-A455 PolarHBondContact O-N 3.23Å
452	I	94.2	Very high	90	Very high	0 Å²	0	80.6 Å²	80.6	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-55.9	-33.8	169.7	-170.1	63.2	0	0	0	112.4	L370 T418 L439 F446 N449 D450 A455 L456	L370-I452 HydrophobicContact CB-CD1 4.3Å; L370-I452 HydrophobicContact CD1-CD1 4.07Å; T418-I452 HydrophobicContact CG2-CG2 4.31Å; L439-I452 HydrophobicContact CD2-CD1 3.88Å; L439-I452 HydrophobicContact CD2-CG1 4.25Å; F446-I452 HydrophobicContact CD2-CB 4.47Å; F446-I452 HydrophobicContact CD2-CD1 4.33Å; F446-I452 HydrophobicContact CE1-CD1 4.3Å; F446-I452 HydrophobicContact CE2-CB 4.36Å; F446-I452 HydrophobicContact CE2-CD1 3.44Å; F446-I452 VanDerWaalsContact CE2-CD1 3.44Å; F446-I452 HydrophobicContact CE2-CG1 4.43Å; F446-I452 HydrophobicContact CZ-CD1 3.42Å; F446-I452 VanDerWaalsContact CZ-CD1 3.42Å; N449-I452 WeakPolarHBondContact O-CG2 3.22Å; D450-I452 PolarHBondContact O-N 2.86Å; D450-I452 VanDerWaalsContact O-N 3.12Å; I452-A455 WeakPolarHBondContact O-CB 3.09Å; I452-A455 PolarHBondContact O-N 3.32Å; I452-L456 HydrophobicContact CG1-CD1 4.37Å; I452-L456 WeakPolarHBondContact O-CB 3.31Å; I452-L456 WeakPolarHBondContact O-CG 3.12Å; I452-L456 PolarHBondContact O-N 3.03Å
453	Y	93.1	Very high	88.9	Confident	112 Å²	112	85.8 Å²	85.8	44%	0.439	44%	0.439	S	S	.	.	H	α-helix	trans	-73	-34.8	179.1	-61.1	-65.2	0	0	0	111.8	T418 D450 D451 A455 L456 Q457	T418-Y453 HydrophobicContact CG2-CE1 4.36Å; D450-Y453 HydrophobicContact CB-CD2 3.92Å; D450-Y453 HydrophobicContact CB-CE2 4.21Å; D450-Y453 WeakPolarHBondContact O-CD2 3.41Å; D450-Y453 PolarHBondContact O-N 3.44Å; D450-Y453 WeakPolarHBondContact OD1-CE2 3.47Å; D451-Y453 PolarHBondContact O-N 3.21Å; Y453-A455 VanDerWaalsContact C-N 3.32Å; Y453-L456 HydrophobicContact CD1-CD1 4.14Å; Y453-L456 PolarHBondContact O-N 2.8Å; Y453-Q457 WeakPolarHBondContact O-CB 3.29Å; Y453-Q457 PolarHBondContact O-N 3.05Å
454	K	92.1	Very high	88	Confident	133 Å²	133	88.6 Å²	88.6	58%	0.578	45%	0.449	S	S	*	.	H	α-helix	trans	-64.9	-39.8	170.6	-61.8	175.2	-171.9	155.2	0	110.8	D451 Q457 S458	D451-K454 WeakPolarHBondContact O-CB 3.43Å; D451-K454 PolarHBondContact O-N 3.36Å; D451-K454 VanDerWaalsContact O-N 3.14Å; D451-K454 IonicContact OD1-NZ 2.74Å; D451-K454 PolarHBondContact OD1-NZ 2.89Å; K454-Q457 PolarHBondContact O-N 3.11Å; K454-S458 PolarHBondContact O-N 3.48Å; K454-S458 PolarHBondContact O-OG 3.43Å
455	A	91	Very high	87.3	Confident	19 Å²	19	83.8 Å²	83.8	16%	0.157	42%	0.419	C	S	.	.	H	α-helix	trans	-63	-48.6	173.8	0	0	0	0	0	111	L370 F446 D451 I452 Y453 Q457 S458 H459	L370-A455 HydrophobicContact CD1-CB 4.13Å; L370-A455 HydrophobicContact CD2-CB 4.04Å; F446-A455 HydrophobicContact CE1-CB 3.81Å; F446-A455 HydrophobicContact CZ-CB 4.18Å; D451-A455 PolarHBondContact O-N 3.23Å; I452-A455 WeakPolarHBondContact O-CB 3.09Å; I452-A455 PolarHBondContact O-N 3.32Å; Y453-A455 VanDerWaalsContact C-N 3.32Å; A455-Q457 VanDerWaalsContact C-N 3.33Å; A455-Q457 PolarHBondContact O-N 3.24Å; A455-S458 PolarHBondContact O-N 3.14Å; A455-S458 VanDerWaalsContact O-N 3.15Å; A455-S458 PolarHBondContact O-OG 2.75Å; A455-H459 VanDerWaalsContact O-CB 3.29Å; A455-H459 WeakPolarHBondContact O-CB 3.33Å; A455-H459 PolarHBondContact O-N 3.16Å
456	L	88.8	Confident	86.7	Confident	9 Å²	9	87.5 Å²	87.5	5%	0.047	44%	0.443	C	S	.	.	H	α-helix	trans	-56.9	-42.1	174.6	-77.9	165.8	0	0	0	112.5	L370 I452 Y453 S458 H459	L370-L456 HydrophobicContact CD1-CB 4.29Å; L370-L456 HydrophobicContact CD1-CD2 3.49Å; L370-L456 VanDerWaalsContact CD1-CD2 3.49Å; L370-L456 HydrophobicContact CD1-CG 3.59Å; I452-L456 HydrophobicContact CG1-CD1 4.37Å; I452-L456 WeakPolarHBondContact O-CB 3.31Å; I452-L456 WeakPolarHBondContact O-CG 3.12Å; I452-L456 PolarHBondContact O-N 3.03Å; Y453-L456 HydrophobicContact CD1-CD1 4.14Å; Y453-L456 PolarHBondContact O-N 2.8Å; L456-S458 PolarHBondContact O-N 3.34Å; L456-H459 PolarHBondContact O-ND1 3.47Å
457	Q	87.8	Confident	86.4	Confident	138 Å²	138	91.9 Å²	91.9	65%	0.645	46%	0.46	S	S	*	.	H	α-helix	trans	-63	-26.5	178.9	179.4	179.5	-9.3	0	0	114	Y453 K454 A455 K461	Y453-Q457 WeakPolarHBondContact O-CB 3.29Å; Y453-Q457 PolarHBondContact O-N 3.05Å; K454-Q457 PolarHBondContact O-N 3.11Å; A455-Q457 VanDerWaalsContact C-N 3.33Å; A455-Q457 PolarHBondContact O-N 3.24Å; Q457-K461 PolarHBondContact O-NZ 3.14Å
458	S	85.6	Confident	86.3	Confident	59 Å²	59	89 Å²	89	41%	0.413	44%	0.435	S	S	.	.	H	α-helix	trans	-110.7	-14.4	-173.4	56.1	0	0	0	0	113.9	K454 A455 L456 D460 K461 V462	K454-S458 PolarHBondContact O-N 3.48Å; K454-S458 PolarHBondContact O-OG 3.43Å; A455-S458 PolarHBondContact O-N 3.14Å; A455-S458 VanDerWaalsContact O-N 3.15Å; A455-S458 PolarHBondContact O-OG 2.75Å; L456-S458 PolarHBondContact O-N 3.34Å; S458-D460 PolarHBondContact O-N 2.75Å; S458-D460 VanDerWaalsContact O-N 3.11Å; S458-K461 PolarHBondContact O-N 3.3Å; S458-V462 WeakPolarHBondContact O-CG2 3.31Å
459	H	79.1	Confident	86.3	Confident	24 Å²	24	86.3 Å²	86.3	11%	0.111	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.4	-170.2	85.7	-62.9	0	0	0	114.1	L370 A455 L456 R465	L370-H459 HydrophobicContact CD1-CB 4.31Å; L370-H459 HydrophobicContact CD2-CB 3.67Å; L370-H459 HydrophobicContact CG-CB 4.17Å; A455-H459 VanDerWaalsContact O-CB 3.29Å; A455-H459 WeakPolarHBondContact O-CB 3.33Å; A455-H459 PolarHBondContact O-N 3.16Å; L456-H459 PolarHBondContact O-ND1 3.47Å; H459-R465 PolarHBondContact CD2-NH2 3.35Å; H459-R465 PolarHBondContact NE2-NH2 2.94Å; H459-R465 PolarHBondContact O-NE 3.21Å; H459-R465 VanDerWaalsContact O-NE 3.17Å; H459-R465 PolarHBondContact O-NH2 3.46Å
460	D	76.4	Confident	86.5	Confident	53 Å²	53	85.1 Å²	85.1	28%	0.283	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-7.9	179.7	61.5	-22.6	0	0	0	114	S430 S458	S430-D460 WeakPolarHBondContact CB-OD2 3.43Å; S430-D460 PolarHBondContact OG-OD2 3.18Å; S458-D460 PolarHBondContact O-N 2.75Å; S458-D460 VanDerWaalsContact O-N 3.11Å
461	K	76.8	Confident	86.7	Confident	146 Å²	146	84.9 Å²	84.9	64%	0.635	42%	0.418	S	S	*	.	S	Bend	trans	-100.1	3.8	-179	-62.8	172.8	-172.8	165.6	0	113.5	Q457 S458 K463	Q457-K461 PolarHBondContact O-NZ 3.14Å; S458-K461 PolarHBondContact O-N 3.3Å; K461-K463 PolarHBondContact O-N 3.37Å
462	V	75.8	Confident	86.7	Confident	84 Å²	84	86.3 Å²	86.3	51%	0.509	43%	0.427	S	S	.	.			trans	-70.7	120.7	-178.6	-175.1	0	0	0	0	110.5	S458 N464 R465	S458-V462 WeakPolarHBondContact O-CG2 3.31Å; V462-N464 PolarHBondContact O-N 3.24Å; V462-R465 PolarHBondContact O-N 2.87Å
463	K	74.4	Confident	86.9	Confident	194 Å²	194	87.2 Å²	87.2	84%	0.843	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	135.2	170.2	-71.1	-175.3	178.6	-179.8	0	109.6	K461 R465	K461-K463 PolarHBondContact O-N 3.37Å; K463-R465 VanDerWaalsContact C-N 3.31Å; K463-R465 PolarHBondContact O-N 3.41Å
464	N	75.6	Confident	87.1	Confident	156 Å²	156	83.3 Å²	83.3	83%	0.834	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	40.1	-177.7	-53.9	-30.8	0	0	0	113.4	V462 V466	V462-N464 PolarHBondContact O-N 3.24Å; N464-V466 PolarHBondContact O-N 3.17Å
465	R	78.8	Confident	87.4	Confident	47 Å²	47	83.8 Å²	83.8	18%	0.177	43%	0.425	C	S	.	.			trans	-49.4	124.3	176.5	-170.9	174.2	-176.3	-179.7	9.2	110.9	S368 H459 V462 K463 Y467	S368-R465 VanDerWaalsContact CB-NE 3.27Å; S368-R465 PolarHBondContact OG-NE 2.8Å; S368-R465 PolarHBondContact OG-NH2 3.5Å; S368-R465 VanDerWaalsContact OG-NH2 3.14Å; H459-R465 PolarHBondContact CD2-NH2 3.35Å; H459-R465 PolarHBondContact NE2-NH2 2.94Å; H459-R465 PolarHBondContact O-NE 3.21Å; H459-R465 VanDerWaalsContact O-NE 3.17Å; H459-R465 PolarHBondContact O-NH2 3.46Å; V462-R465 PolarHBondContact O-N 2.87Å; K463-R465 VanDerWaalsContact C-N 3.31Å; K463-R465 PolarHBondContact O-N 3.41Å; R465-Y467 HydrophobicContact CG-CE1 4.14Å; R465-Y467 PolarHBondContact O-N 3.14Å
466	V	81.8	Confident	87.7	Confident	127 Å²	127	84.1 Å²	84.1	77%	0.77	42%	0.423	S	S	*	.			trans	-83.7	110.8	177	-178.5	0	0	0	0	108.4	N464	N464-V466 PolarHBondContact O-N 3.17Å
467	Y	89.7	Confident	88.1	Confident	129 Å²	129	83.7 Å²	83.7	51%	0.506	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-83	143.2	173	-62.9	-64.9	0	0	0	110.4	I367 R465	I367-Y467 HydrophobicContact CB-CD1 4.42Å; I367-Y467 HydrophobicContact CD1-CD1 3.68Å; I367-Y467 HydrophobicContact CD1-CE1 4.37Å; I367-Y467 HydrophobicContact CD1-CG 4Å; I367-Y467 HydrophobicContact CG1-CD1 3.73Å; I367-Y467 HydrophobicContact CG1-CG 4.2Å; I367-Y467 HydrophobicContact CG2-CD1 3.95Å; I367-Y467 HydrophobicContact CG2-CE1 4.21Å; R465-Y467 HydrophobicContact CG-CE1 4.14Å; R465-Y467 PolarHBondContact O-N 3.14Å
468	R	93.6	Very high	88.5	Confident	51 Å²	51	83.6 Å²	83.6	19%	0.192	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-65.5	136.7	173.3	-64.9	-165.4	-61.1	166.7	3.3	109.9	N366 I367 P369 M473 E476	N366-R468 PolarHBondContact O-NE 3.02Å; N366-R468 PolarHBondContact O-NH2 3.44Å; I367-R468 WeakPolarHBondContact O-CG 3.02Å; I367-R468 PolarHBondContact O-N 3.47Å; P369-R468 VanDerWaalsContact CD-NE 3.32Å; R468-M473 HydrophobicContact CB-CG 3.9Å; R468-M473 HydrophobicContact CB-SD 4.27Å; R468-E476 IonicContact CZ-OE2 3.13Å; R468-E476 IonicContact NH1-OE1 3.98Å; R468-E476 IonicContact NH1-OE2 2.62Å; R468-E476 PolarHBondContact NH1-OE2 3.47Å; R468-E476 IonicContact NH2-OE2 2.75Å; R468-E476 PolarHBondContact NH2-OE2 2.98Å
469	P	95.5	Very high	89	Confident	75 Å²	75	85.3 Å²	85.3	49%	0.487	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-55.6	147	169.4	-26.9	36.8	0	0	0	111.9	D471 V472 M473	P469-D471 VanDerWaalsContact C-N 3.32Å; P469-D471 WeakPolarHBondContact CB-OD1 3.3Å; P469-D471 PolarHBondContact O-N 3.24Å; P469-V472 HydrophobicContact CB-CG2 4.18Å; P469-V472 HydrophobicContact CG-CG2 4.36Å; P469-V472 WeakPolarHBondContact O-CB 3.42Å; P469-V472 PolarHBondContact O-N 3.25Å; P469-M473 PolarHBondContact O-N 3.24Å
470	H	96.8	Very high	89.8	Confident	88 Å²	88	84.2 Å²	84.2	41%	0.407	42%	0.418	S	S	.	.	H	α-helix	trans	-59.4	-40.4	-177.4	-179.9	74.1	0	0	0	112.9	D352 C353 V472 M473 S474	D352-H470 IonicContact OD1-CE1 3.24Å; D352-H470 PolarHBondContact OD1-CE1 3.17Å; D352-H470 IonicContact OD1-NE2 3.76Å; D352-H470 PolarHBondContact OD1-NE2 3.35Å; D352-H470 IonicContact OD2-CD2 2.84Å; D352-H470 IonicContact OD2-CE1 3.88Å; D352-H470 IonicContact OD2-NE2 3.09Å; D352-H470 PolarHBondContact OD2-NE2 2.54Å; C353-H470 PolarHBondContact SG-CE1 2.73Å; H470-V472 VanDerWaalsContact C-N 3.33Å; H470-V472 PolarHBondContact O-N 2.97Å; H470-M473 PolarHBondContact O-N 2.98Å; H470-S474 WeakPolarHBondContact O-CB 3.48Å; H470-S474 PolarHBondContact O-N 3.11Å
471	D	97.4	Very high	90.7	Very high	107 Å²	107	85 Å²	85	57%	0.572	42%	0.417	S	S	*	.	H	α-helix	trans	-60.9	-40	178.1	60	-48.7	0	0	0	112.3	P469 Q475	P469-D471 VanDerWaalsContact C-N 3.32Å; P469-D471 WeakPolarHBondContact CB-OD1 3.3Å; P469-D471 PolarHBondContact O-N 3.24Å; D471-Q475 VanDerWaalsContact O-CB 3.29Å; D471-Q475 WeakPolarHBondContact O-CB 2.77Å; D471-Q475 PolarHBondContact O-N 2.86Å
472	V	96.9	Very high	91.5	Very high	61 Å²	61	82.5 Å²	82.5	37%	0.37	41%	0.407	S	S	.	.	H	α-helix	trans	-64.1	-44.7	174.8	176.7	0	0	0	0	110.9	P469 H470 Q475 E476	P469-V472 HydrophobicContact CB-CG2 4.18Å; P469-V472 HydrophobicContact CG-CG2 4.36Å; P469-V472 WeakPolarHBondContact O-CB 3.42Å; P469-V472 PolarHBondContact O-N 3.25Å; H470-V472 VanDerWaalsContact C-N 3.33Å; H470-V472 PolarHBondContact O-N 2.97Å; V472-Q475 PolarHBondContact O-N 2.98Å; V472-E476 PolarHBondContact O-N 3.29Å
473	M	97.9	Very high	92.2	Very high	20 Å²	20	80 Å²	80	10%	0.099	39%	0.391	C	S	.	.	H	α-helix	trans	-64.3	-46.7	177.9	-69.1	177	63.9	0	0	112	V365 I367 R468 P469 H470 Q475 E476 A477	V365-M473 HydrophobicContact CG2-CB 3.69Å; V365-M473 HydrophobicContact CG2-CE 3.97Å; V365-M473 HydrophobicContact CG2-CG 4.14Å; V365-M473 WeakPolarHBondContact CG2-O 3.16Å; I367-M473 HydrophobicContact CB-CE 4.07Å; I367-M473 HydrophobicContact CB-SD 4.18Å; I367-M473 HydrophobicContact CG1-CE 4.32Å; I367-M473 HydrophobicContact CG1-SD 3.85Å; R468-M473 HydrophobicContact CB-CG 3.9Å; R468-M473 HydrophobicContact CB-SD 4.27Å; P469-M473 PolarHBondContact O-N 3.24Å; H470-M473 PolarHBondContact O-N 2.98Å; M473-Q475 VanDerWaalsContact C-N 3.31Å; M473-Q475 PolarHBondContact O-N 2.83Å; M473-E476 PolarHBondContact O-N 3.32Å; M473-A477 WeakPolarHBondContact O-CB 3.48Å; M473-A477 PolarHBondContact O-N 3.14Å
474	S	97.9	Very high	93.1	Very high	29 Å²	29	71.9 Å²	71.9	20%	0.203	36%	0.355	C	S	.	.	H	α-helix	trans	-62.8	-38.7	178.4	-179.8	0	0	0	0	111.9	D352 H470 A477 K478	D352-S474 WeakPolarHBondContact O-CA 3.35Å; D352-S474 PolarHBondContact O-OG 2.68Å; H470-S474 WeakPolarHBondContact O-CB 3.48Å; H470-S474 PolarHBondContact O-N 3.11Å; S474-A477 PolarHBondContact O-N 3.26Å; S474-K478 WeakPolarHBondContact O-CB 3.36Å; S474-K478 PolarHBondContact O-N 3.24Å
475	Q	97.5	Very high	93.9	Very high	144 Å²	144	68 Å²	68	67%	0.673	33%	0.329	S	S	*	.	H	α-helix	trans	-66.1	-42.6	176.5	-173.8	172.4	12.4	0	0	112.2	D471 V472 M473 K478 L479	D471-Q475 VanDerWaalsContact O-CB 3.29Å; D471-Q475 WeakPolarHBondContact O-CB 2.77Å; D471-Q475 PolarHBondContact O-N 2.86Å; V472-Q475 PolarHBondContact O-N 2.98Å; M473-Q475 VanDerWaalsContact C-N 3.31Å; M473-Q475 PolarHBondContact O-N 2.83Å; Q475-K478 PolarHBondContact O-N 2.75Å; Q475-L479 PolarHBondContact O-N 3.24Å
476	E	97.1	Very high	93.7	Very high	25 Å²	25	71.4 Å²	71.4	12%	0.117	35%	0.351	C	S	.	.	H	α-helix	trans	-63	-46.8	174.3	-176.2	-176.4	-163	0	0	111.1	V365 R468 V472 M473 K478 L479 L480	V365-E476 HydrophobicContact CG1-CB 4.2Å; V365-E476 HydrophobicContact CG1-CG 3.86Å; R468-E476 IonicContact CZ-OE2 3.13Å; R468-E476 IonicContact NH1-OE1 3.98Å; R468-E476 IonicContact NH1-OE2 2.62Å; R468-E476 PolarHBondContact NH1-OE2 3.47Å; R468-E476 IonicContact NH2-OE2 2.75Å; R468-E476 PolarHBondContact NH2-OE2 2.98Å; V472-E476 PolarHBondContact O-N 3.29Å; M473-E476 PolarHBondContact O-N 3.32Å; E476-K478 VanDerWaalsContact C-N 3.28Å; E476-K478 PolarHBondContact O-N 3.05Å; E476-L479 WeakPolarHBondContact O-CB 3.31Å; E476-L479 PolarHBondContact O-N 3.37Å; E476-L479 VanDerWaalsContact O-N 3.09Å; E476-L480 HydrophobicContact CG-CD1 4.29Å; E476-L480 HydrophobicContact CG-CG 4.46Å; E476-L480 WeakPolarHBondContact O-CG 3.36Å; E476-L480 PolarHBondContact O-N 2.86Å
477	A	97.5	Very high	92.2	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-58.9	-41.5	177.2	0	0	0	0	0	111.5	D352 C353 F355 V365 M473 S474 L479 L480 R481	D352-A477 WeakPolarHBondContact O-CB 3.48Å; C353-A477 WeakPolarHBondContact O-CB 3.29Å; F355-A477 HydrophobicContact CB-CB 4.22Å; F355-A477 WeakPolarHBondContact CB-O 3.45Å; V365-A477 HydrophobicContact CG1-CB 4.11Å; V365-A477 HydrophobicContact CG2-CB 4.49Å; M473-A477 WeakPolarHBondContact O-CB 3.48Å; M473-A477 PolarHBondContact O-N 3.14Å; S474-A477 PolarHBondContact O-N 3.26Å; A477-L479 PolarHBondContact O-N 2.85Å; A477-L480 PolarHBondContact O-N 3.15Å; A477-R481 VanDerWaalsContact O-CG 3.3Å; A477-R481 WeakPolarHBondContact O-CG 3.32Å; A477-R481 PolarHBondContact O-N 3.12Å
478	K	96.5	Very high	89.7	Confident	136 Å²	136	68.9 Å²	68.9	59%	0.591	35%	0.352	S	S	*	.	H	α-helix	trans	-60	-42.5	174.6	-176.1	179.9	179.7	-179.6	0	112.3	S474 Q475 E476 Q482	S474-K478 WeakPolarHBondContact O-CB 3.36Å; S474-K478 PolarHBondContact O-N 3.24Å; Q475-K478 PolarHBondContact O-N 2.75Å; E476-K478 VanDerWaalsContact C-N 3.28Å; E476-K478 PolarHBondContact O-N 3.05Å; K478-Q482 WeakPolarHBondContact O-CG 3.39Å
479	L	94.8	Very high	86.8	Confident	96 Å²	96	75.6 Å²	75.6	50%	0.503	41%	0.407	S	S	.	.	H	α-helix	trans	-62.6	-48.1	175.5	-178.6	69.6	0	0	0	110.7	Q475 E476 A477 R481 Q482	Q475-L479 PolarHBondContact O-N 3.24Å; E476-L479 WeakPolarHBondContact O-CB 3.31Å; E476-L479 PolarHBondContact O-N 3.37Å; E476-L479 VanDerWaalsContact O-N 3.09Å; A477-L479 PolarHBondContact O-N 2.85Å; L479-R481 VanDerWaalsContact C-N 3.35Å; L479-R481 PolarHBondContact O-N 3.2Å; L479-Q482 WeakPolarHBondContact O-CB 3.29Å; L479-Q482 PolarHBondContact O-N 3.38Å; L479-Q482 VanDerWaalsContact O-N 3.15Å
480	L	96	Very high	86.3	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-63.5	-37.5	-179.9	-66	-179.9	0	0	0	112.6	F355 V365 I375 L408 F412 E476 A477 Q482 L483 Y484	F355-L480 HydrophobicContact CB-CB 3.67Å; F355-L480 HydrophobicContact CD1-CB 4.39Å; F355-L480 HydrophobicContact CD1-CD1 3.79Å; F355-L480 HydrophobicContact CD2-CB 3.63Å; F355-L480 HydrophobicContact CD2-CD1 4.12Å; F355-L480 HydrophobicContact CE1-CD1 3.99Å; F355-L480 HydrophobicContact CE2-CB 4.4Å; F355-L480 HydrophobicContact CE2-CD1 4.29Å; F355-L480 HydrophobicContact CG-CB 3.62Å; F355-L480 HydrophobicContact CG-CD1 3.87Å; F355-L480 HydrophobicContact CG-CG 4.42Å; F355-L480 HydrophobicContact CZ-CD1 4.22Å; V365-L480 HydrophobicContact CG1-CD1 3.92Å; I375-L480 HydrophobicContact CG2-CD1 4.12Å; L408-L480 HydrophobicContact CD1-CD1 4.39Å; L408-L480 HydrophobicContact CD1-CD2 3.93Å; F412-L480 HydrophobicContact CE2-CD2 3.9Å; F412-L480 HydrophobicContact CZ-CD2 4.14Å; E476-L480 HydrophobicContact CG-CD1 4.29Å; E476-L480 HydrophobicContact CG-CG 4.46Å; E476-L480 WeakPolarHBondContact O-CG 3.36Å; E476-L480 PolarHBondContact O-N 2.86Å; A477-L480 PolarHBondContact O-N 3.15Å; L480-Q482 PolarHBondContact O-N 2.81Å; L480-L483 HydrophobicContact CD2-CD1 3.64Å; L480-L483 VanDerWaalsContact O-CB 3.28Å; L480-L483 WeakPolarHBondContact O-CB 3.47Å; L480-L483 PolarHBondContact O-N 3.31Å; L480-Y484 WeakPolarHBondContact O-CD2 3.42Å
481	R	95.8	Very high	85.8	Confident	71 Å²	71	75 Å²	75	27%	0.268	40%	0.403	S	S	.	.	H	α-helix	trans	-55.1	-38.2	174.6	-75.6	174.9	-167.4	-176.4	0.7	112.3	I337 S351 D352 V354 F355 A477 L479 L483 Y484 Y485	I337-R481 HydrophobicContact CD1-CG 3.89Å; S351-R481 PolarHBondContact O-NH2 3.44Å; D352-R481 VanDerWaalsContact CA-NH2 3.33Å; V354-R481 PolarHBondContact O-NE 3.37Å; V354-R481 PolarHBondContact O-NH2 2.89Å; F355-R481 HydrophobicContact CB-CG 3.96Å; F355-R481 WeakPolarHBondContact O-CG 3.45Å; A477-R481 VanDerWaalsContact O-CG 3.3Å; A477-R481 WeakPolarHBondContact O-CG 3.32Å; A477-R481 PolarHBondContact O-N 3.12Å; L479-R481 VanDerWaalsContact C-N 3.35Å; L479-R481 PolarHBondContact O-N 3.2Å; R481-L483 PolarHBondContact O-N 3.44Å; R481-Y484 PolarHBondContact O-N 3.33Å; R481-Y485 HydrophobicContact CB-CD2 4.35Å; R481-Y485 WeakPolarHBondContact O-CB 3.46Å; R481-Y485 WeakPolarHBondContact O-CD2 3.33Å; R481-Y485 PolarHBondContact O-N 3.2Å
482	Q	93.4	Very high	85.1	Confident	92 Å²	92	73.2 Å²	73.2	43%	0.43	39%	0.393	S	S	.	.	H	α-helix	trans	-61.9	-31	-179	-63	179.5	-15.1	0	0	111.5	K478 L479 L480 Y484 N486	K478-Q482 WeakPolarHBondContact O-CG 3.39Å; L479-Q482 WeakPolarHBondContact O-CB 3.29Å; L479-Q482 PolarHBondContact O-N 3.38Å; L479-Q482 VanDerWaalsContact O-N 3.15Å; L480-Q482 PolarHBondContact O-N 2.81Å; Q482-Y484 VanDerWaalsContact C-N 3.33Å; Q482-Y484 PolarHBondContact O-N 3.31Å; Q482-N486 WeakPolarHBondContact CB-ND2 3.31Å; Q482-N486 WeakPolarHBondContact CG-ND2 3.37Å; Q482-N486 WeakPolarHBondContact O-CB 3.43Å; Q482-N486 PolarHBondContact O-N 2.98Å; Q482-N486 VanDerWaalsContact O-N 3.15Å
483	L	91.4	Very high	84.4	Confident	33 Å²	33	73.9 Å²	73.9	17%	0.173	40%	0.395	C	S	.	.	H	α-helix	trans	-67.5	-33.3	179.7	-54.6	168.6	0	0	0	113.3	R407 C411 L480 R481	R407-L483 PolarHBondContact NH1-O 3.42Å; C411-L483 HydrophobicContact CB-CD1 4.15Å; C411-L483 WeakPolarHBondContact SG-CD1 3.47Å; C411-L483 WeakPolarHBondContact SG-CD2 3.05Å; L480-L483 HydrophobicContact CD2-CD1 3.64Å; L480-L483 VanDerWaalsContact O-CB 3.28Å; L480-L483 WeakPolarHBondContact O-CB 3.47Å; L480-L483 PolarHBondContact O-N 3.31Å; R481-L483 PolarHBondContact O-N 3.44Å
484	Y	93.1	Very high	83.6	Confident	23 Å²	23	77.3 Å²	77.3	9%	0.09	41%	0.413	C	S	.	.	H	α-helix	trans	-105.2	-21.6	-171.6	-57.1	-71.7	0	0	0	113.3	F355 Y356 Q403 I404 R407 L408 L480 R481 Q482	F355-Y484 AromaticContact CD2-CD2 3.99Å; F355-Y484 HydrophobicContact CD2-CD2 3.99Å; F355-Y484 AromaticContact CD2-CE2 3.77Å; F355-Y484 HydrophobicContact CD2-CE2 3.77Å; F355-Y484 HydrophobicContact CE2-CD2 4.27Å; F355-Y484 AromaticContact CE2-CE2 3.68Å; F355-Y484 HydrophobicContact CE2-CE2 3.68Å; Y356-Y484 HydrophobicContact CD2-CD1 4.07Å; Y356-Y484 HydrophobicContact CD2-CD2 4.03Å; Y356-Y484 AromaticContact CD2-CG 3.67Å; Y356-Y484 HydrophobicContact CD2-CG 3.67Å; Y356-Y484 HydrophobicContact CE2-CD1 4.02Å; Y356-Y484 AromaticContact CE2-CG 3.97Å; Y356-Y484 HydrophobicContact CE2-CG 3.97Å; Q403-Y484 WeakPolarHBondContact O-CE1 3.48Å; I404-Y484 WeakPolarHBondContact CA-OH 3.44Å; I404-Y484 PolarHBondContact O-OH 3.48Å; R407-Y484 HydrophobicContact CB-CE1 3.93Å; R407-Y484 HydrophobicContact CG-CE1 4.31Å; L408-Y484 PolarHBondContact N-OH 3.29Å; L480-Y484 WeakPolarHBondContact O-CD2 3.42Å; R481-Y484 PolarHBondContact O-N 3.33Å; Q482-Y484 VanDerWaalsContact C-N 3.33Å; Q482-Y484 PolarHBondContact O-N 3.31Å
485	Y	91.4	Very high	82.6	Confident	73 Å²	73	80.5 Å²	80.5	29%	0.286	43%	0.427	S	S	.	.	H	α-helix	trans	-113.2	-18.2	-176.9	-66.2	-87	0	0	0	114.5	P334 R335 I337 F355 Q357 R481	P334-Y485 HydrophobicContact CB-CE1 3.92Å; R335-Y485 WeakPolarHBondContact O-CE1 3.39Å; R335-Y485 VanDerWaalsContact O-CZ 3.31Å; R335-Y485 PolarHBondContact O-OH 2.6Å; I337-Y485 HydrophobicContact CD1-CE2 3.99Å; I337-Y485 HydrophobicContact CG1-CE2 4.31Å; F355-Y485 WeakPolarHBondContact O-CE2 3.39Å; Q357-Y485 PolarHBondContact N-OH 2.74Å; Q357-Y485 PolarHBondContact O-OH 3.03Å; R481-Y485 HydrophobicContact CB-CD2 4.35Å; R481-Y485 WeakPolarHBondContact O-CB 3.46Å; R481-Y485 WeakPolarHBondContact O-CD2 3.33Å; R481-Y485 PolarHBondContact O-N 3.2Å
486	N	74.8	Confident	81.6	Confident	120 Å²	120	76 Å²	76	64%	0.642	41%	0.41	S	S	*	.	S	Bend	trans	-91.4	7.7	-179.5	-65.4	-9.3	0	0	0	114.4	Q482	Q482-N486 WeakPolarHBondContact CB-ND2 3.31Å; Q482-N486 WeakPolarHBondContact CG-ND2 3.37Å; Q482-N486 WeakPolarHBondContact O-CB 3.43Å; Q482-N486 PolarHBondContact O-N 2.98Å; Q482-N486 VanDerWaalsContact O-N 3.15Å
487	S	50.6	Low	80.4	Confident	56 Å²	56	79.9 Å²	79.9	39%	0.392	43%	0.432	S	S	.	.			trans	-115.8	85.5	176.2	52.2	0	0	0	0	111	R407	R407-S487 PolarHBondContact NH1-OG 3.11Å
488	T	38.7	Very low	78.9	Confident	146 Å²	146	86.6 Å²	86.6	90%	0.896	47%	0.468	S	S	*	.			trans	178.8	99.6	147	17.8	0	0	0	0	109.5
489	S	30.8	Very low	77.3	Confident	193 Å²	193	82.1 Å²	82.1	100%	1.35	46%	0.457	S	S	*	.			trans	-121.7	0	151	60.7	0	0	0	0	107.5

Retrieved 489 of 489 residues in 559.3 ms (Link to these results)

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